----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:46:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506160848575400 0.000000000000000 0.000000000000000 b 0.000000000000000 7.112735219999999 0.000000000000000 c -4.095025396154999 0.000000000000000 13.148544173151221 Atomic positions (fractional): *1 O 0.11200304718817 0.42666759573318 0.40120305717189 15.999 *2 O 0.98054464831288 0.55897266575306 0.87477320017138 15.999 3 O 0.98054464831288 0.94102733424694 0.37477320017138 15.999 4 O 0.01945535168712 0.05897266575306 0.62522679982862 15.999 5 O 0.01945535168712 0.44102733424694 0.12522679982862 15.999 *6 O 0.36454554736814 0.84209970588682 0.61509593813545 15.999 7 O 0.63545445263186 0.34209970588682 0.88490406186455 15.999 8 O 0.63545445263186 0.15790029411318 0.38490406186456 15.999 9 O 0.36454554736814 0.65790029411318 0.11509593813544 15.999 *10 O 0.49516082000640 0.32212690574902 0.60840747920768 15.999 11 O 0.50483917999360 0.82212690574902 0.89159252079232 15.999 12 O 0.50483917999360 0.67787309425098 0.39159252079232 15.999 13 O 0.88799695281183 0.92666759573318 0.09879694282811 15.999 14 O 0.88799695281183 0.57333240426682 0.59879694282811 15.999 15 O 0.11200304718817 0.07333240426682 0.90120305717189 15.999 16 O 0.49516082000640 0.17787309425098 0.10840747920768 15.999 *17 K 0.82597362234186 0.57545754280481 0.39358975655087 39.098 18 K 0.17402637765814 0.07545754280481 0.10641024344913 39.098 19 K 0.17402637765814 0.42454245719519 0.60641024344913 39.098 20 K 0.82597362234186 0.92454245719519 0.89358975655087 39.098 *21 K 0.76566321176324 0.27075363531099 0.08504438096225 39.098 22 K 0.23433678823676 0.77075363531099 0.41495561903775 39.098 23 K 0.23433678823676 0.72924636468901 0.91495561903775 39.098 24 K 0.76566321176324 0.22924636468901 0.58504438096225 39.098 *25 K 0.39759479828054 0.16661568314379 0.90639251912175 39.098 26 K 0.60240520171946 0.83338431685621 0.09360748087825 39.098 27 K 0.60240520171946 0.66661568314379 0.59360748087825 39.098 28 K 0.39759479828054 0.33338431685621 0.40639251912175 39.098 *29 Cu 0.19467890885289 0.95294836961727 0.62575078169975 63.546 30 Cu 0.80532109114711 0.45294836961727 0.87424921830025 63.546 31 Cu 0.80532109114711 0.04705163038273 0.37424921830025 63.546 32 Cu 0.19467890885289 0.54705163038273 0.12575078169975 63.546 *33 Cu 0.95010694972450 0.68479334887369 0.11311062102514 63.546 34 Cu 0.04989305027550 0.18479334887369 0.38688937897486 63.546 35 Cu 0.04989305027550 0.31520665112631 0.88688937897486 63.546 *36 Cu 0.43581611029672 0.66772247315849 0.25470743724518 63.546 37 Cu 0.56418388970329 0.16772247315849 0.24529256275482 63.546 38 Cu 0.56418388970329 0.33227752684151 0.74529256275482 63.546 39 Cu 0.43581611029672 0.83227752684151 0.75470743724518 63.546 *40 Cu 0.06564155487576 0.43901439136279 0.26368558428568 63.546 41 Cu 0.93435844512424 0.93901439136279 0.23631441571432 63.546 42 Cu 0.93435844512424 0.56098560863721 0.73631441571432 63.546 43 Cu 0.06564155487576 0.06098560863721 0.76368558428568 63.546 *44 Cu 0.43424774213400 0.41564142415052 0.11542725430053 63.546 45 Cu 0.56575225786600 0.91564142415052 0.38457274569947 63.546 46 Cu 0.56575225786600 0.58435857584948 0.88457274569947 63.546 47 Cu 0.43424774213400 0.08435857584948 0.61542725430053 63.546 48 Cu 0.95010694972450 0.81520665112631 0.61311062102514 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.506160848575400 0.000000000000000 0.000000000000000 b 0.000000000000000 7.112735219999999 0.000000000000000 c -4.095025396154999 0.000000000000000 13.148544173151221 Atomic positions (fractional): *1 O 0.11200304718817 0.42666759573318 0.40120305717189 15.999 > 1 *2 O 0.98054464831288 0.55897266575306 0.87477320017138 15.999 > 2 3 O 0.98054464831288 0.94102733424694 0.37477320017138 15.999 > 3 4 O 0.01945535168712 0.05897266575306 0.62522679982862 15.999 > 4 5 O 0.01945535168712 0.44102733424694 0.12522679982862 15.999 > 5 *6 O 0.36454554736814 0.84209970588682 0.61509593813545 15.999 > 6 7 O 0.63545445263186 0.34209970588682 0.88490406186455 15.999 > 7 8 O 0.63545445263186 0.15790029411318 0.38490406186456 15.999 > 8 9 O 0.36454554736814 0.65790029411318 0.11509593813544 15.999 > 9 *10 O 0.49516082000640 0.32212690574902 0.60840747920768 15.999 > 10 11 O 0.50483917999360 0.82212690574902 0.89159252079232 15.999 > 11 12 O 0.50483917999360 0.67787309425098 0.39159252079232 15.999 > 12 13 O 0.88799695281183 0.92666759573318 0.09879694282811 15.999 > 13 14 O 0.88799695281183 0.57333240426682 0.59879694282811 15.999 > 14 15 O 0.11200304718817 0.07333240426682 0.90120305717189 15.999 > 15 16 O 0.49516082000640 0.17787309425098 0.10840747920768 15.999 > 16 *17 K 0.82597362234186 0.57545754280481 0.39358975655087 39.098 > 17 18 K 0.17402637765814 0.07545754280481 0.10641024344913 39.098 > 18 19 K 0.17402637765814 0.42454245719519 0.60641024344913 39.098 > 19 20 K 0.82597362234186 0.92454245719519 0.89358975655087 39.098 > 20 *21 K 0.76566321176324 0.27075363531099 0.08504438096225 39.098 > 21 22 K 0.23433678823676 0.77075363531099 0.41495561903775 39.098 > 22 23 K 0.23433678823676 0.72924636468901 0.91495561903775 39.098 > 23 24 K 0.76566321176324 0.22924636468901 0.58504438096225 39.098 > 24 *25 K 0.39759479828054 0.16661568314379 0.90639251912175 39.098 > 25 26 K 0.60240520171946 0.83338431685621 0.09360748087825 39.098 > 26 27 K 0.60240520171946 0.66661568314379 0.59360748087825 39.098 > 27 28 K 0.39759479828054 0.33338431685621 0.40639251912175 39.098 > 28 *29 Cu 0.19467890885289 0.95294836961727 0.62575078169975 63.546 > 29 30 Cu 0.80532109114711 0.45294836961727 0.87424921830025 63.546 > 30 31 Cu 0.80532109114711 0.04705163038273 0.37424921830025 63.546 > 31 32 Cu 0.19467890885289 0.54705163038273 0.12575078169975 63.546 > 32 *33 Cu 0.95010694972450 0.68479334887369 0.11311062102514 63.546 > 33 34 Cu 0.04989305027550 0.18479334887369 0.38688937897486 63.546 > 34 35 Cu 0.04989305027550 0.31520665112631 0.88688937897486 63.546 > 35 *36 Cu 0.43581611029672 0.66772247315849 0.25470743724518 63.546 > 36 37 Cu 0.56418388970329 0.16772247315849 0.24529256275482 63.546 > 37 38 Cu 0.56418388970329 0.33227752684151 0.74529256275482 63.546 > 38 39 Cu 0.43581611029672 0.83227752684151 0.75470743724518 63.546 > 39 *40 Cu 0.06564155487576 0.43901439136279 0.26368558428568 63.546 > 40 41 Cu 0.93435844512424 0.93901439136279 0.23631441571432 63.546 > 41 42 Cu 0.93435844512424 0.56098560863721 0.73631441571432 63.546 > 42 43 Cu 0.06564155487576 0.06098560863721 0.76368558428568 63.546 > 43 *44 Cu 0.43424774213400 0.41564142415052 0.11542725430053 63.546 > 44 45 Cu 0.56575225786600 0.91564142415052 0.38457274569947 63.546 > 45 46 Cu 0.56575225786600 0.58435857584948 0.88457274569947 63.546 > 46 47 Cu 0.43424774213400 0.08435857584948 0.61542725430053 63.546 > 47 48 Cu 0.95010694972450 0.81520665112631 0.61311062102514 63.546 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.506160848575400 0.000000000000000 0.000000000000000 b 0.000000000000000 14.225470439999999 0.000000000000000 c -4.095025396154999 0.000000000000000 13.148544173151221 Atomic positions (fractional): *1 O 0.11200304718817 0.21333379786659 0.40120305717189 15.999 > 1 2 O 0.11200304718817 0.71333379786659 0.40120305717189 15.999 > 1 *3 O 0.98054464831288 0.27948633287653 0.87477320017138 15.999 > 2 4 O 0.98054464831288 0.77948633287653 0.87477320017138 15.999 > 2 5 O 0.98054464831288 0.47051366712347 0.37477320017138 15.999 > 3 6 O 0.98054464831288 0.97051366712347 0.37477320017138 15.999 > 3 7 O 0.01945535168712 0.02948633287653 0.62522679982862 15.999 > 4 8 O 0.01945535168712 0.52948633287653 0.62522679982862 15.999 > 4 9 O 0.01945535168712 0.22051366712347 0.12522679982862 15.999 > 5 10 O 0.01945535168712 0.72051366712347 0.12522679982862 15.999 > 5 *11 O 0.36454554736814 0.42104985294341 0.61509593813545 15.999 > 6 12 O 0.36454554736814 0.92104985294341 0.61509593813545 15.999 > 6 13 O 0.63545445263186 0.17104985294341 0.88490406186455 15.999 > 7 14 O 0.63545445263186 0.67104985294341 0.88490406186455 15.999 > 7 15 O 0.63545445263186 0.07895014705659 0.38490406186456 15.999 > 8 16 O 0.63545445263186 0.57895014705659 0.38490406186456 15.999 > 8 17 O 0.36454554736814 0.32895014705659 0.11509593813544 15.999 > 9 18 O 0.36454554736814 0.82895014705659 0.11509593813544 15.999 > 9 *19 O 0.49516082000640 0.16106345287451 0.60840747920768 15.999 > 10 20 O 0.49516082000640 0.66106345287451 0.60840747920768 15.999 > 10 21 O 0.50483917999360 0.41106345287451 0.89159252079232 15.999 > 11 22 O 0.50483917999360 0.91106345287451 0.89159252079232 15.999 > 11 23 O 0.50483917999360 0.33893654712549 0.39159252079232 15.999 > 12 24 O 0.50483917999360 0.83893654712549 0.39159252079232 15.999 > 12 25 O 0.88799695281183 0.46333379786659 0.09879694282811 15.999 > 13 26 O 0.88799695281183 0.96333379786659 0.09879694282811 15.999 > 13 27 O 0.88799695281183 0.28666620213341 0.59879694282811 15.999 > 14 28 O 0.88799695281183 0.78666620213341 0.59879694282811 15.999 > 14 29 O 0.11200304718817 0.03666620213341 0.90120305717189 15.999 > 15 30 O 0.11200304718817 0.53666620213341 0.90120305717189 15.999 > 15 31 O 0.49516082000640 0.08893654712549 0.10840747920768 15.999 > 16 32 O 0.49516082000640 0.58893654712549 0.10840747920768 15.999 > 16 *33 K 0.82597362234186 0.28772877140240 0.39358975655087 39.098 > 17 34 K 0.82597362234186 0.78772877140240 0.39358975655087 39.098 > 17 35 K 0.17402637765814 0.03772877140240 0.10641024344913 39.098 > 18 36 K 0.17402637765814 0.53772877140240 0.10641024344913 39.098 > 18 37 K 0.17402637765814 0.21227122859760 0.60641024344913 39.098 > 19 38 K 0.17402637765814 0.71227122859760 0.60641024344913 39.098 > 19 39 K 0.82597362234186 0.46227122859760 0.89358975655087 39.098 > 20 40 K 0.82597362234186 0.96227122859760 0.89358975655087 39.098 > 20 *41 K 0.76566321176324 0.13537681765549 0.08504438096225 39.098 > 21 42 K 0.76566321176324 0.63537681765549 0.08504438096225 39.098 > 21 43 K 0.23433678823676 0.38537681765549 0.41495561903775 39.098 > 22 44 K 0.23433678823676 0.88537681765549 0.41495561903775 39.098 > 22 45 K 0.23433678823676 0.36462318234451 0.91495561903775 39.098 > 23 46 K 0.23433678823676 0.86462318234451 0.91495561903775 39.098 > 23 47 K 0.76566321176324 0.11462318234451 0.58504438096225 39.098 > 24 48 K 0.76566321176324 0.61462318234451 0.58504438096225 39.098 > 24 *49 K 0.39759479828054 0.08330784157189 0.90639251912175 39.098 > 25 50 K 0.39759479828054 0.58330784157189 0.90639251912175 39.098 > 25 51 K 0.60240520171946 0.41669215842811 0.09360748087825 39.098 > 26 52 K 0.60240520171946 0.91669215842811 0.09360748087825 39.098 > 26 53 K 0.60240520171946 0.33330784157189 0.59360748087825 39.098 > 27 54 K 0.60240520171946 0.83330784157189 0.59360748087825 39.098 > 27 55 K 0.39759479828054 0.16669215842811 0.40639251912175 39.098 > 28 56 K 0.39759479828054 0.66669215842811 0.40639251912175 39.098 > 28 *57 Cu 0.19467890885289 0.47647418480864 0.62575078169975 63.546 > 29 58 Cu 0.19467890885289 0.97647418480864 0.62575078169975 63.546 > 29 59 Cu 0.80532109114711 0.22647418480864 0.87424921830025 63.546 > 30 60 Cu 0.80532109114711 0.72647418480864 0.87424921830025 63.546 > 30 61 Cu 0.80532109114711 0.02352581519136 0.37424921830025 63.546 > 31 62 Cu 0.80532109114711 0.52352581519136 0.37424921830025 63.546 > 31 63 Cu 0.19467890885289 0.27352581519136 0.12575078169975 63.546 > 32 64 Cu 0.19467890885289 0.77352581519136 0.12575078169975 63.546 > 32 *65 Cu 0.95010694972450 0.34239667443684 0.11311062102514 63.546 > 33 66 Cu 0.95010694972450 0.84239667443684 0.11311062102514 63.546 > 33 67 Cu 0.04989305027550 0.09239667443684 0.38688937897486 63.546 > 34 68 Cu 0.04989305027550 0.59239667443684 0.38688937897486 63.546 > 34 69 Cu 0.04989305027550 0.15760332556316 0.88688937897486 63.546 > 35 70 Cu 0.04989305027550 0.65760332556316 0.88688937897486 63.546 > 35 *71 Cu 0.43581611029672 0.33386123657924 0.25470743724518 63.546 > 36 72 Cu 0.43581611029672 0.83386123657924 0.25470743724518 63.546 > 36 73 Cu 0.56418388970329 0.08386123657924 0.24529256275482 63.546 > 37 74 Cu 0.56418388970329 0.58386123657924 0.24529256275482 63.546 > 37 75 Cu 0.56418388970329 0.16613876342076 0.74529256275482 63.546 > 38 76 Cu 0.56418388970329 0.66613876342076 0.74529256275482 63.546 > 38 77 Cu 0.43581611029672 0.41613876342076 0.75470743724518 63.546 > 39 78 Cu 0.43581611029672 0.91613876342076 0.75470743724518 63.546 > 39 *79 Cu 0.06564155487576 0.21950719568140 0.26368558428568 63.546 > 40 80 Cu 0.06564155487576 0.71950719568140 0.26368558428568 63.546 > 40 81 Cu 0.93435844512424 0.46950719568140 0.23631441571432 63.546 > 41 82 Cu 0.93435844512424 0.96950719568140 0.23631441571432 63.546 > 41 83 Cu 0.93435844512424 0.28049280431860 0.73631441571432 63.546 > 42 84 Cu 0.93435844512424 0.78049280431860 0.73631441571432 63.546 > 42 85 Cu 0.06564155487576 0.03049280431860 0.76368558428568 63.546 > 43 86 Cu 0.06564155487576 0.53049280431860 0.76368558428568 63.546 > 43 *87 Cu 0.43424774213400 0.20782071207526 0.11542725430053 63.546 > 44 88 Cu 0.43424774213400 0.70782071207526 0.11542725430053 63.546 > 44 89 Cu 0.56575225786600 0.45782071207526 0.38457274569947 63.546 > 45 90 Cu 0.56575225786600 0.95782071207526 0.38457274569947 63.546 > 45 91 Cu 0.56575225786600 0.29217928792474 0.88457274569947 63.546 > 46 92 Cu 0.56575225786600 0.79217928792474 0.88457274569947 63.546 > 46 93 Cu 0.43424774213400 0.04217928792474 0.61542725430053 63.546 > 47 94 Cu 0.43424774213400 0.54217928792474 0.61542725430053 63.546 > 47 95 Cu 0.95010694972450 0.40760332556316 0.61311062102514 63.546 > 48 96 Cu 0.95010694972450 0.90760332556316 0.61311062102514 63.546 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4522161 0.0000000 0.0242103 0.0000000 4.3883338 0.0000000 0.0242096 0.0000000 4.3142824 -------------------------- Born effective charges -------------------------- 1 O -0.9473351 -0.4632933 0.1184468 -0.3139289 -1.7210664 0.1130971 -0.0072904 -0.0892801 -1.7166640 2 O -1.1020490 -0.0621885 0.0567107 -0.0183515 -1.1903231 0.0982261 -0.0455705 -0.0914219 -1.2938959 3 O -1.1020490 0.0621885 0.0567107 0.0183515 -1.1903231 -0.0982261 -0.0455705 0.0914219 -1.2938959 4 O -1.1020490 0.0621885 0.0567107 0.0183515 -1.1903231 -0.0982261 -0.0455705 0.0914219 -1.2938959 5 O -1.1020490 -0.0621885 0.0567107 -0.0183515 -1.1903231 0.0982261 -0.0455705 -0.0914219 -1.2938959 6 O -1.1493882 0.0476899 -0.0520273 0.0348427 -1.1961681 0.0450316 0.0645558 -0.1116702 -1.1095721 7 O -1.1493882 -0.0476899 -0.0520273 -0.0348427 -1.1961681 -0.0450316 0.0645558 0.1116702 -1.1095721 8 O -1.1493882 0.0476899 -0.0520273 0.0348427 -1.1961681 0.0450316 0.0645558 -0.1116702 -1.1095721 9 O -1.1493882 -0.0476899 -0.0520273 -0.0348427 -1.1961681 -0.0450316 0.0645558 0.1116702 -1.1095721 10 O -0.9975795 -0.5580185 -0.0953339 -0.4036558 -1.7060517 -0.1789437 0.0189818 0.0707801 -1.6854412 11 O -0.9975795 0.5580185 -0.0953339 0.4036558 -1.7060517 0.1789437 0.0189818 -0.0707801 -1.6854412 12 O -0.9975795 -0.5580185 -0.0953339 -0.4036558 -1.7060517 -0.1789437 0.0189818 0.0707801 -1.6854412 13 O -0.9473351 0.4632933 0.1184468 0.3139289 -1.7210664 -0.1130971 -0.0072904 0.0892801 -1.7166640 14 O -0.9473351 -0.4632933 0.1184468 -0.3139289 -1.7210664 0.1130971 -0.0072904 -0.0892801 -1.7166640 15 O -0.9473351 0.4632933 0.1184468 0.3139289 -1.7210664 -0.1130971 -0.0072904 0.0892801 -1.7166640 16 O -0.9975795 0.5580185 -0.0953339 0.4036558 -1.7060517 0.1789437 0.0189818 -0.0707801 -1.6854412 17 K 1.2250688 -0.0229158 -0.0050887 -0.0900702 1.3474261 0.0898079 -0.0264253 0.0626189 1.2312026 18 K 1.2250688 0.0229158 -0.0050887 0.0900702 1.3474261 -0.0898079 -0.0264253 -0.0626189 1.2312026 19 K 1.2250688 -0.0229158 -0.0050887 -0.0900702 1.3474261 0.0898079 -0.0264253 0.0626189 1.2312026 20 K 1.2250688 0.0229158 -0.0050887 0.0900702 1.3474261 -0.0898079 -0.0264253 -0.0626189 1.2312026 21 K 1.3787391 0.0938621 0.0431336 0.0577782 1.1928351 -0.2118326 0.0202256 -0.2083027 1.3012167 22 K 1.3787391 -0.0938621 0.0431336 -0.0577782 1.1928351 0.2118326 0.0202256 0.2083027 1.3012167 23 K 1.3787391 0.0938621 0.0431336 0.0577782 1.1928351 -0.2118326 0.0202256 -0.2083027 1.3012167 24 K 1.3787391 -0.0938621 0.0431336 -0.0577782 1.1928351 0.2118326 0.0202256 0.2083027 1.3012167 25 K 1.3522497 0.0499093 -0.0914020 0.0224983 1.1504075 0.1624417 -0.0458899 0.1582346 1.2924705 26 K 1.3522497 0.0499093 -0.0914020 0.0224983 1.1504075 0.1624417 -0.0458899 0.1582346 1.2924705 27 K 1.3522497 -0.0499093 -0.0914020 -0.0224983 1.1504075 -0.1624417 -0.0458899 -0.1582346 1.2924705 28 K 1.3522497 -0.0499093 -0.0914020 -0.0224983 1.1504075 -0.1624417 -0.0458899 -0.1582346 1.2924705 29 Cu 1.2531380 -0.4925056 0.0190812 -0.2939867 0.0008049 -0.0345888 0.0431572 -0.0508120 0.0073059 30 Cu 1.2531380 0.4925056 0.0190812 0.2939867 0.0008049 0.0345888 0.0431572 0.0508120 0.0073059 31 Cu 1.2531380 -0.4925056 0.0190812 -0.2939867 0.0008049 -0.0345888 0.0431572 -0.0508120 0.0073059 32 Cu 1.2531380 0.4925056 0.0190812 0.2939867 0.0008049 0.0345888 0.0431572 0.0508120 0.0073059 33 Cu -0.1690116 -0.7589782 0.0981639 -0.5287170 1.2262923 -0.0693854 0.0252728 0.0079292 -0.2474917 34 Cu -0.1690116 0.7589782 0.0981639 0.5287170 1.2262923 0.0693854 0.0252728 -0.0079292 -0.2474917 35 Cu -0.1690116 -0.7589782 0.0981639 -0.5287170 1.2262923 -0.0693854 0.0252728 0.0079292 -0.2474917 36 Cu -0.3257872 0.0842131 0.3353881 0.0540723 -0.1944055 0.4377401 0.1077377 0.0766405 1.2236393 37 Cu -0.3257872 -0.0842131 0.3353881 -0.0540723 -0.1944055 -0.4377401 0.1077377 -0.0766405 1.2236393 38 Cu -0.3257872 0.0842131 0.3353881 0.0540723 -0.1944055 0.4377401 0.1077377 0.0766405 1.2236393 39 Cu -0.3257872 -0.0842131 0.3353881 -0.0540723 -0.1944055 -0.4377401 0.1077377 -0.0766405 1.2236393 40 Cu -0.3921303 0.0851354 -0.3603501 0.0624954 -0.1729974 -0.4322954 -0.1174033 -0.1228160 1.3086408 41 Cu -0.3921303 -0.0851354 -0.3603501 -0.0624954 -0.1729974 0.4322954 -0.1174033 0.1228160 1.3086408 42 Cu -0.3921303 0.0851354 -0.3603501 0.0624954 -0.1729974 -0.4322954 -0.1174033 -0.1228160 1.3086408 43 Cu -0.3921303 -0.0851354 -0.3603501 -0.0624954 -0.1729974 0.4322954 -0.1174033 0.1228160 1.3086408 44 Cu -0.1259147 -0.8398985 -0.0667222 -0.5878228 1.2632464 0.0624480 -0.0373516 0.0178770 -0.3114109 45 Cu -0.1259147 0.8398985 -0.0667222 0.5878228 1.2632464 -0.0624480 -0.0373516 -0.0178770 -0.3114109 46 Cu -0.1259147 -0.8398985 -0.0667222 -0.5878228 1.2632464 0.0624480 -0.0373516 0.0178770 -0.3114109 47 Cu -0.1259147 0.8398985 -0.0667222 0.5878228 1.2632464 -0.0624480 -0.0373516 -0.0178770 -0.3114109 48 Cu -0.1690116 0.7589782 0.0981639 0.5287170 1.2262923 0.0693854 0.0252728 -0.0079292 -0.2474917 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 72 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 72 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 48), data: (1152, 72) @ (72, 48) |-- (152, 128), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 226), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 48), data: (1152, 72) @ (72, 48) |-- (152, 128), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 226), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.120 Solver_block: 200 / 1440 - Time: 0.933 Solver_block: 300 / 1440 - Time: 0.931 Solver_block: 400 / 1440 - Time: 0.935 Solver_block: 500 / 1440 - Time: 0.935 Solver_block: 600 / 1440 - Time: 0.933 Solver_block: 700 / 1440 - Time: 0.935 Solver_block: 800 / 1440 - Time: 0.936 Solver_block: 900 / 1440 - Time: 0.935 Solver_block: 1000 / 1440 - Time: 0.938 Solver_block: 1100 / 1440 - Time: 0.938 Solver_block: 1200 / 1440 - Time: 0.931 Solver_block: 1300 / 1440 - Time: 0.936 Solver_block: 1400 / 1440 - Time: 0.933 Solver_block: 1440 / 1440 - Time: 0.484 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.162 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 72 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 72 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 48), data: (1152, 72) @ (72, 48) |-- (152, 128), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 226), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 48), data: (1152, 72) @ (72, 48) |-- (152, 128), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 226), data: True |-- (250, 234), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:47:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506160848575400 0.000000000000000 0.000000000000000 b 0.000000000000000 7.112735219999999 0.000000000000000 c -4.095025396154999 0.000000000000000 13.148544173151221 Atomic positions (fractional): 1 O 0.11200304718817 0.42666759573318 0.40120305717189 15.999 2 O 0.98054464831288 0.55897266575306 0.87477320017138 15.999 3 O 0.98054464831288 0.94102733424694 0.37477320017138 15.999 4 O 0.01945535168712 0.05897266575306 0.62522679982862 15.999 5 O 0.01945535168712 0.44102733424694 0.12522679982862 15.999 6 O 0.36454554736814 0.84209970588682 0.61509593813545 15.999 7 O 0.63545445263186 0.34209970588682 0.88490406186455 15.999 8 O 0.63545445263186 0.15790029411318 0.38490406186456 15.999 9 O 0.36454554736814 0.65790029411318 0.11509593813544 15.999 10 O 0.49516082000640 0.32212690574902 0.60840747920768 15.999 11 O 0.50483917999360 0.82212690574902 0.89159252079232 15.999 12 O 0.50483917999360 0.67787309425098 0.39159252079232 15.999 13 O 0.88799695281183 0.92666759573318 0.09879694282811 15.999 14 O 0.88799695281183 0.57333240426682 0.59879694282811 15.999 15 O 0.11200304718817 0.07333240426682 0.90120305717189 15.999 16 O 0.49516082000640 0.17787309425098 0.10840747920768 15.999 17 K 0.82597362234186 0.57545754280481 0.39358975655087 39.098 18 K 0.17402637765814 0.07545754280481 0.10641024344913 39.098 19 K 0.17402637765814 0.42454245719519 0.60641024344913 39.098 20 K 0.82597362234186 0.92454245719519 0.89358975655087 39.098 21 K 0.76566321176324 0.27075363531099 0.08504438096225 39.098 22 K 0.23433678823676 0.77075363531099 0.41495561903775 39.098 23 K 0.23433678823676 0.72924636468901 0.91495561903775 39.098 24 K 0.76566321176324 0.22924636468901 0.58504438096225 39.098 25 K 0.39759479828054 0.16661568314379 0.90639251912175 39.098 26 K 0.60240520171946 0.83338431685621 0.09360748087825 39.098 27 K 0.60240520171946 0.66661568314379 0.59360748087825 39.098 28 K 0.39759479828054 0.33338431685621 0.40639251912175 39.098 29 Cu 0.19467890885289 0.95294836961727 0.62575078169975 63.546 30 Cu 0.80532109114711 0.45294836961727 0.87424921830025 63.546 31 Cu 0.80532109114711 0.04705163038273 0.37424921830025 63.546 32 Cu 0.19467890885289 0.54705163038273 0.12575078169975 63.546 33 Cu 0.95010694972450 0.68479334887369 0.11311062102514 63.546 34 Cu 0.04989305027550 0.18479334887369 0.38688937897486 63.546 35 Cu 0.04989305027550 0.31520665112631 0.88688937897486 63.546 36 Cu 0.43581611029672 0.66772247315849 0.25470743724518 63.546 37 Cu 0.56418388970329 0.16772247315849 0.24529256275482 63.546 38 Cu 0.56418388970329 0.33227752684151 0.74529256275482 63.546 39 Cu 0.43581611029672 0.83227752684151 0.75470743724518 63.546 40 Cu 0.06564155487576 0.43901439136279 0.26368558428568 63.546 41 Cu 0.93435844512424 0.93901439136279 0.23631441571432 63.546 42 Cu 0.93435844512424 0.56098560863721 0.73631441571432 63.546 43 Cu 0.06564155487576 0.06098560863721 0.76368558428568 63.546 44 Cu 0.43424774213400 0.41564142415052 0.11542725430053 63.546 45 Cu 0.56575225786600 0.91564142415052 0.38457274569947 63.546 46 Cu 0.56575225786600 0.58435857584948 0.88457274569947 63.546 47 Cu 0.43424774213400 0.08435857584948 0.61542725430053 63.546 48 Cu 0.95010694972450 0.81520665112631 0.61311062102514 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.506160848575400 0.000000000000000 0.000000000000000 b 0.000000000000000 14.225470439999999 0.000000000000000 c -4.095025396154999 0.000000000000000 13.148544173151221 Atomic positions (fractional): 1 O 0.11200304718817 0.21333379786659 0.40120305717189 15.999 > 1 2 O 0.11200304718817 0.71333379786659 0.40120305717189 15.999 > 1 3 O 0.98054464831288 0.27948633287653 0.87477320017138 15.999 > 3 4 O 0.98054464831288 0.77948633287653 0.87477320017138 15.999 > 3 5 O 0.98054464831288 0.47051366712347 0.37477320017138 15.999 > 5 6 O 0.98054464831288 0.97051366712347 0.37477320017138 15.999 > 5 7 O 0.01945535168712 0.02948633287653 0.62522679982862 15.999 > 7 8 O 0.01945535168712 0.52948633287653 0.62522679982862 15.999 > 7 9 O 0.01945535168712 0.22051366712347 0.12522679982862 15.999 > 9 10 O 0.01945535168712 0.72051366712347 0.12522679982862 15.999 > 9 11 O 0.36454554736814 0.42104985294341 0.61509593813545 15.999 > 11 12 O 0.36454554736814 0.92104985294341 0.61509593813545 15.999 > 11 13 O 0.63545445263186 0.17104985294341 0.88490406186455 15.999 > 13 14 O 0.63545445263186 0.67104985294341 0.88490406186455 15.999 > 13 15 O 0.63545445263186 0.07895014705659 0.38490406186456 15.999 > 15 16 O 0.63545445263186 0.57895014705659 0.38490406186456 15.999 > 15 17 O 0.36454554736814 0.32895014705659 0.11509593813544 15.999 > 17 18 O 0.36454554736814 0.82895014705659 0.11509593813544 15.999 > 17 19 O 0.49516082000640 0.16106345287451 0.60840747920768 15.999 > 19 20 O 0.49516082000640 0.66106345287451 0.60840747920768 15.999 > 19 21 O 0.50483917999360 0.41106345287451 0.89159252079232 15.999 > 21 22 O 0.50483917999360 0.91106345287451 0.89159252079232 15.999 > 21 23 O 0.50483917999360 0.33893654712549 0.39159252079232 15.999 > 23 24 O 0.50483917999360 0.83893654712549 0.39159252079232 15.999 > 23 25 O 0.88799695281183 0.46333379786659 0.09879694282811 15.999 > 25 26 O 0.88799695281183 0.96333379786659 0.09879694282811 15.999 > 25 27 O 0.88799695281183 0.28666620213341 0.59879694282811 15.999 > 27 28 O 0.88799695281183 0.78666620213341 0.59879694282811 15.999 > 27 29 O 0.11200304718817 0.03666620213341 0.90120305717189 15.999 > 29 30 O 0.11200304718817 0.53666620213341 0.90120305717189 15.999 > 29 31 O 0.49516082000640 0.08893654712549 0.10840747920768 15.999 > 31 32 O 0.49516082000640 0.58893654712549 0.10840747920768 15.999 > 31 33 K 0.82597362234186 0.28772877140240 0.39358975655087 39.098 > 33 34 K 0.82597362234186 0.78772877140240 0.39358975655087 39.098 > 33 35 K 0.17402637765814 0.03772877140240 0.10641024344913 39.098 > 35 36 K 0.17402637765814 0.53772877140240 0.10641024344913 39.098 > 35 37 K 0.17402637765814 0.21227122859760 0.60641024344913 39.098 > 37 38 K 0.17402637765814 0.71227122859760 0.60641024344913 39.098 > 37 39 K 0.82597362234186 0.46227122859760 0.89358975655087 39.098 > 39 40 K 0.82597362234186 0.96227122859760 0.89358975655087 39.098 > 39 41 K 0.76566321176324 0.13537681765549 0.08504438096225 39.098 > 41 42 K 0.76566321176324 0.63537681765549 0.08504438096225 39.098 > 41 43 K 0.23433678823676 0.38537681765549 0.41495561903775 39.098 > 43 44 K 0.23433678823676 0.88537681765549 0.41495561903775 39.098 > 43 45 K 0.23433678823676 0.36462318234451 0.91495561903775 39.098 > 45 46 K 0.23433678823676 0.86462318234451 0.91495561903775 39.098 > 45 47 K 0.76566321176324 0.11462318234451 0.58504438096225 39.098 > 47 48 K 0.76566321176324 0.61462318234451 0.58504438096225 39.098 > 47 49 K 0.39759479828054 0.08330784157189 0.90639251912175 39.098 > 49 50 K 0.39759479828054 0.58330784157189 0.90639251912175 39.098 > 49 51 K 0.60240520171946 0.41669215842811 0.09360748087825 39.098 > 51 52 K 0.60240520171946 0.91669215842811 0.09360748087825 39.098 > 51 53 K 0.60240520171946 0.33330784157189 0.59360748087825 39.098 > 53 54 K 0.60240520171946 0.83330784157189 0.59360748087825 39.098 > 53 55 K 0.39759479828054 0.16669215842811 0.40639251912175 39.098 > 55 56 K 0.39759479828054 0.66669215842811 0.40639251912175 39.098 > 55 57 Cu 0.19467890885289 0.47647418480864 0.62575078169975 63.546 > 57 58 Cu 0.19467890885289 0.97647418480864 0.62575078169975 63.546 > 57 59 Cu 0.80532109114711 0.22647418480864 0.87424921830025 63.546 > 59 60 Cu 0.80532109114711 0.72647418480864 0.87424921830025 63.546 > 59 61 Cu 0.80532109114711 0.02352581519136 0.37424921830025 63.546 > 61 62 Cu 0.80532109114711 0.52352581519136 0.37424921830025 63.546 > 61 63 Cu 0.19467890885289 0.27352581519136 0.12575078169975 63.546 > 63 64 Cu 0.19467890885289 0.77352581519136 0.12575078169975 63.546 > 63 65 Cu 0.95010694972450 0.34239667443684 0.11311062102514 63.546 > 65 66 Cu 0.95010694972450 0.84239667443684 0.11311062102514 63.546 > 65 67 Cu 0.04989305027550 0.09239667443684 0.38688937897486 63.546 > 67 68 Cu 0.04989305027550 0.59239667443684 0.38688937897486 63.546 > 67 69 Cu 0.04989305027550 0.15760332556316 0.88688937897486 63.546 > 69 70 Cu 0.04989305027550 0.65760332556316 0.88688937897486 63.546 > 69 71 Cu 0.43581611029672 0.33386123657924 0.25470743724518 63.546 > 71 72 Cu 0.43581611029672 0.83386123657924 0.25470743724518 63.546 > 71 73 Cu 0.56418388970329 0.08386123657924 0.24529256275482 63.546 > 73 74 Cu 0.56418388970329 0.58386123657924 0.24529256275482 63.546 > 73 75 Cu 0.56418388970329 0.16613876342076 0.74529256275482 63.546 > 75 76 Cu 0.56418388970329 0.66613876342076 0.74529256275482 63.546 > 75 77 Cu 0.43581611029672 0.41613876342076 0.75470743724518 63.546 > 77 78 Cu 0.43581611029672 0.91613876342076 0.75470743724518 63.546 > 77 79 Cu 0.06564155487576 0.21950719568140 0.26368558428568 63.546 > 79 80 Cu 0.06564155487576 0.71950719568140 0.26368558428568 63.546 > 79 81 Cu 0.93435844512424 0.46950719568140 0.23631441571432 63.546 > 81 82 Cu 0.93435844512424 0.96950719568140 0.23631441571432 63.546 > 81 83 Cu 0.93435844512424 0.28049280431860 0.73631441571432 63.546 > 83 84 Cu 0.93435844512424 0.78049280431860 0.73631441571432 63.546 > 83 85 Cu 0.06564155487576 0.03049280431860 0.76368558428568 63.546 > 85 86 Cu 0.06564155487576 0.53049280431860 0.76368558428568 63.546 > 85 87 Cu 0.43424774213400 0.20782071207526 0.11542725430053 63.546 > 87 88 Cu 0.43424774213400 0.70782071207526 0.11542725430053 63.546 > 87 89 Cu 0.56575225786600 0.45782071207526 0.38457274569947 63.546 > 89 90 Cu 0.56575225786600 0.95782071207526 0.38457274569947 63.546 > 89 91 Cu 0.56575225786600 0.29217928792474 0.88457274569947 63.546 > 91 92 Cu 0.56575225786600 0.79217928792474 0.88457274569947 63.546 > 91 93 Cu 0.43424774213400 0.04217928792474 0.61542725430053 63.546 > 93 94 Cu 0.43424774213400 0.54217928792474 0.61542725430053 63.546 > 93 95 Cu 0.95010694972450 0.40760332556316 0.61311062102514 63.546 > 95 96 Cu 0.95010694972450 0.90760332556316 0.61311062102514 63.546 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4522161 0.0000000 0.0242103 0.0000000 4.3883338 0.0000000 0.0242096 0.0000000 4.3142824 -------------------------- Born effective charges -------------------------- 1 O -0.9473351 -0.4632933 0.1184468 -0.3139289 -1.7210664 0.1130971 -0.0072904 -0.0892801 -1.7166640 2 O -1.1020490 -0.0621885 0.0567107 -0.0183515 -1.1903231 0.0982261 -0.0455705 -0.0914219 -1.2938959 3 O -1.1020490 0.0621885 0.0567107 0.0183515 -1.1903231 -0.0982261 -0.0455705 0.0914219 -1.2938959 4 O -1.1020490 0.0621885 0.0567107 0.0183515 -1.1903231 -0.0982261 -0.0455705 0.0914219 -1.2938959 5 O -1.1020490 -0.0621885 0.0567107 -0.0183515 -1.1903231 0.0982261 -0.0455705 -0.0914219 -1.2938959 6 O -1.1493882 0.0476899 -0.0520273 0.0348427 -1.1961681 0.0450316 0.0645558 -0.1116702 -1.1095721 7 O -1.1493882 -0.0476899 -0.0520273 -0.0348427 -1.1961681 -0.0450316 0.0645558 0.1116702 -1.1095721 8 O -1.1493882 0.0476899 -0.0520273 0.0348427 -1.1961681 0.0450316 0.0645558 -0.1116702 -1.1095721 9 O -1.1493882 -0.0476899 -0.0520273 -0.0348427 -1.1961681 -0.0450316 0.0645558 0.1116702 -1.1095721 10 O -0.9975795 -0.5580185 -0.0953339 -0.4036558 -1.7060517 -0.1789437 0.0189818 0.0707801 -1.6854412 11 O -0.9975795 0.5580185 -0.0953339 0.4036558 -1.7060517 0.1789437 0.0189818 -0.0707801 -1.6854412 12 O -0.9975795 -0.5580185 -0.0953339 -0.4036558 -1.7060517 -0.1789437 0.0189818 0.0707801 -1.6854412 13 O -0.9473351 0.4632933 0.1184468 0.3139289 -1.7210664 -0.1130971 -0.0072904 0.0892801 -1.7166640 14 O -0.9473351 -0.4632933 0.1184468 -0.3139289 -1.7210664 0.1130971 -0.0072904 -0.0892801 -1.7166640 15 O -0.9473351 0.4632933 0.1184468 0.3139289 -1.7210664 -0.1130971 -0.0072904 0.0892801 -1.7166640 16 O -0.9975795 0.5580185 -0.0953339 0.4036558 -1.7060517 0.1789437 0.0189818 -0.0707801 -1.6854412 17 K 1.2250688 -0.0229158 -0.0050887 -0.0900702 1.3474261 0.0898079 -0.0264253 0.0626189 1.2312026 18 K 1.2250688 0.0229158 -0.0050887 0.0900702 1.3474261 -0.0898079 -0.0264253 -0.0626189 1.2312026 19 K 1.2250688 -0.0229158 -0.0050887 -0.0900702 1.3474261 0.0898079 -0.0264253 0.0626189 1.2312026 20 K 1.2250688 0.0229158 -0.0050887 0.0900702 1.3474261 -0.0898079 -0.0264253 -0.0626189 1.2312026 21 K 1.3787391 0.0938621 0.0431336 0.0577782 1.1928351 -0.2118326 0.0202256 -0.2083027 1.3012167 22 K 1.3787391 -0.0938621 0.0431336 -0.0577782 1.1928351 0.2118326 0.0202256 0.2083027 1.3012167 23 K 1.3787391 0.0938621 0.0431336 0.0577782 1.1928351 -0.2118326 0.0202256 -0.2083027 1.3012167 24 K 1.3787391 -0.0938621 0.0431336 -0.0577782 1.1928351 0.2118326 0.0202256 0.2083027 1.3012167 25 K 1.3522497 0.0499093 -0.0914020 0.0224983 1.1504075 0.1624417 -0.0458899 0.1582346 1.2924705 26 K 1.3522497 0.0499093 -0.0914020 0.0224983 1.1504075 0.1624417 -0.0458899 0.1582346 1.2924705 27 K 1.3522497 -0.0499093 -0.0914020 -0.0224983 1.1504075 -0.1624417 -0.0458899 -0.1582346 1.2924705 28 K 1.3522497 -0.0499093 -0.0914020 -0.0224983 1.1504075 -0.1624417 -0.0458899 -0.1582346 1.2924705 29 Cu 1.2531380 -0.4925056 0.0190812 -0.2939867 0.0008049 -0.0345888 0.0431572 -0.0508120 0.0073059 30 Cu 1.2531380 0.4925056 0.0190812 0.2939867 0.0008049 0.0345888 0.0431572 0.0508120 0.0073059 31 Cu 1.2531380 -0.4925056 0.0190812 -0.2939867 0.0008049 -0.0345888 0.0431572 -0.0508120 0.0073059 32 Cu 1.2531380 0.4925056 0.0190812 0.2939867 0.0008049 0.0345888 0.0431572 0.0508120 0.0073059 33 Cu -0.1690116 -0.7589782 0.0981639 -0.5287170 1.2262923 -0.0693854 0.0252728 0.0079292 -0.2474917 34 Cu -0.1690116 0.7589782 0.0981639 0.5287170 1.2262923 0.0693854 0.0252728 -0.0079292 -0.2474917 35 Cu -0.1690116 -0.7589782 0.0981639 -0.5287170 1.2262923 -0.0693854 0.0252728 0.0079292 -0.2474917 36 Cu -0.3257872 0.0842131 0.3353881 0.0540723 -0.1944055 0.4377401 0.1077377 0.0766405 1.2236393 37 Cu -0.3257872 -0.0842131 0.3353881 -0.0540723 -0.1944055 -0.4377401 0.1077377 -0.0766405 1.2236393 38 Cu -0.3257872 0.0842131 0.3353881 0.0540723 -0.1944055 0.4377401 0.1077377 0.0766405 1.2236393 39 Cu -0.3257872 -0.0842131 0.3353881 -0.0540723 -0.1944055 -0.4377401 0.1077377 -0.0766405 1.2236393 40 Cu -0.3921303 0.0851354 -0.3603501 0.0624954 -0.1729974 -0.4322954 -0.1174033 -0.1228160 1.3086408 41 Cu -0.3921303 -0.0851354 -0.3603501 -0.0624954 -0.1729974 0.4322954 -0.1174033 0.1228160 1.3086408 42 Cu -0.3921303 0.0851354 -0.3603501 0.0624954 -0.1729974 -0.4322954 -0.1174033 -0.1228160 1.3086408 43 Cu -0.3921303 -0.0851354 -0.3603501 -0.0624954 -0.1729974 0.4322954 -0.1174033 0.1228160 1.3086408 44 Cu -0.1259147 -0.8398985 -0.0667222 -0.5878228 1.2632464 0.0624480 -0.0373516 0.0178770 -0.3114109 45 Cu -0.1259147 0.8398985 -0.0667222 0.5878228 1.2632464 -0.0624480 -0.0373516 -0.0178770 -0.3114109 46 Cu -0.1259147 -0.8398985 -0.0667222 -0.5878228 1.2632464 0.0624480 -0.0373516 0.0178770 -0.3114109 47 Cu -0.1259147 0.8398985 -0.0667222 0.5878228 1.2632464 -0.0624480 -0.0373516 -0.0178770 -0.3114109 48 Cu -0.1690116 0.7589782 0.0981639 0.5287170 1.2262923 0.0693854 0.0252728 -0.0079292 -0.2474917 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 3, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 11, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 19, 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] [-0.0030 0.0000 0.0095] [ 0.0030 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 41, 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] [-0.0030 0.0000 0.0095] [ 0.0030 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 57, 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] [-0.0030 0.0000 0.0095] [ 0.0030 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 71, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 79, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 87, 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] [-0.0030 0.0000 0.0095] [ 0.0030 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:48:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:48:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506160848575400 0.000000000000000 0.000000000000000 b 0.000000000000000 7.112735219999999 0.000000000000000 c -4.095025396154999 0.000000000000000 13.148544173151221 Atomic positions (fractional): 1 O 0.11200304718817 0.42666759573318 0.40120305717189 15.999 2 O 0.98054464831288 0.55897266575306 0.87477320017138 15.999 3 O 0.98054464831288 0.94102733424694 0.37477320017138 15.999 4 O 0.01945535168712 0.05897266575306 0.62522679982862 15.999 5 O 0.01945535168712 0.44102733424694 0.12522679982862 15.999 6 O 0.36454554736814 0.84209970588682 0.61509593813545 15.999 7 O 0.63545445263186 0.34209970588682 0.88490406186455 15.999 8 O 0.63545445263186 0.15790029411318 0.38490406186456 15.999 9 O 0.36454554736814 0.65790029411318 0.11509593813544 15.999 10 O 0.49516082000640 0.32212690574902 0.60840747920768 15.999 11 O 0.50483917999360 0.82212690574902 0.89159252079232 15.999 12 O 0.50483917999360 0.67787309425098 0.39159252079232 15.999 13 O 0.88799695281183 0.92666759573318 0.09879694282811 15.999 14 O 0.88799695281183 0.57333240426682 0.59879694282811 15.999 15 O 0.11200304718817 0.07333240426682 0.90120305717189 15.999 16 O 0.49516082000640 0.17787309425098 0.10840747920768 15.999 17 K 0.82597362234186 0.57545754280481 0.39358975655087 39.098 18 K 0.17402637765814 0.07545754280481 0.10641024344913 39.098 19 K 0.17402637765814 0.42454245719519 0.60641024344913 39.098 20 K 0.82597362234186 0.92454245719519 0.89358975655087 39.098 21 K 0.76566321176324 0.27075363531099 0.08504438096225 39.098 22 K 0.23433678823676 0.77075363531099 0.41495561903775 39.098 23 K 0.23433678823676 0.72924636468901 0.91495561903775 39.098 24 K 0.76566321176324 0.22924636468901 0.58504438096225 39.098 25 K 0.39759479828054 0.16661568314379 0.90639251912175 39.098 26 K 0.60240520171946 0.83338431685621 0.09360748087825 39.098 27 K 0.60240520171946 0.66661568314379 0.59360748087825 39.098 28 K 0.39759479828054 0.33338431685621 0.40639251912175 39.098 29 Cu 0.19467890885289 0.95294836961727 0.62575078169975 63.546 30 Cu 0.80532109114711 0.45294836961727 0.87424921830025 63.546 31 Cu 0.80532109114711 0.04705163038273 0.37424921830025 63.546 32 Cu 0.19467890885289 0.54705163038273 0.12575078169975 63.546 33 Cu 0.95010694972450 0.68479334887369 0.11311062102514 63.546 34 Cu 0.04989305027550 0.18479334887369 0.38688937897486 63.546 35 Cu 0.04989305027550 0.31520665112631 0.88688937897486 63.546 36 Cu 0.43581611029672 0.66772247315849 0.25470743724518 63.546 37 Cu 0.56418388970329 0.16772247315849 0.24529256275482 63.546 38 Cu 0.56418388970329 0.33227752684151 0.74529256275482 63.546 39 Cu 0.43581611029672 0.83227752684151 0.75470743724518 63.546 40 Cu 0.06564155487576 0.43901439136279 0.26368558428568 63.546 41 Cu 0.93435844512424 0.93901439136279 0.23631441571432 63.546 42 Cu 0.93435844512424 0.56098560863721 0.73631441571432 63.546 43 Cu 0.06564155487576 0.06098560863721 0.76368558428568 63.546 44 Cu 0.43424774213400 0.41564142415052 0.11542725430053 63.546 45 Cu 0.56575225786600 0.91564142415052 0.38457274569947 63.546 46 Cu 0.56575225786600 0.58435857584948 0.88457274569947 63.546 47 Cu 0.43424774213400 0.08435857584948 0.61542725430053 63.546 48 Cu 0.95010694972450 0.81520665112631 0.61311062102514 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.506160848575400 0.000000000000000 0.000000000000000 b 0.000000000000000 14.225470439999999 0.000000000000000 c -4.095025396154999 0.000000000000000 13.148544173151221 Atomic positions (fractional): 1 O 0.11200304718817 0.21333379786659 0.40120305717189 15.999 > 1 2 O 0.11200304718817 0.71333379786659 0.40120305717189 15.999 > 1 3 O 0.98054464831288 0.27948633287653 0.87477320017138 15.999 > 3 4 O 0.98054464831288 0.77948633287653 0.87477320017138 15.999 > 3 5 O 0.98054464831288 0.47051366712347 0.37477320017138 15.999 > 5 6 O 0.98054464831288 0.97051366712347 0.37477320017138 15.999 > 5 7 O 0.01945535168712 0.02948633287653 0.62522679982862 15.999 > 7 8 O 0.01945535168712 0.52948633287653 0.62522679982862 15.999 > 7 9 O 0.01945535168712 0.22051366712347 0.12522679982862 15.999 > 9 10 O 0.01945535168712 0.72051366712347 0.12522679982862 15.999 > 9 11 O 0.36454554736814 0.42104985294341 0.61509593813545 15.999 > 11 12 O 0.36454554736814 0.92104985294341 0.61509593813545 15.999 > 11 13 O 0.63545445263186 0.17104985294341 0.88490406186455 15.999 > 13 14 O 0.63545445263186 0.67104985294341 0.88490406186455 15.999 > 13 15 O 0.63545445263186 0.07895014705659 0.38490406186456 15.999 > 15 16 O 0.63545445263186 0.57895014705659 0.38490406186456 15.999 > 15 17 O 0.36454554736814 0.32895014705659 0.11509593813544 15.999 > 17 18 O 0.36454554736814 0.82895014705659 0.11509593813544 15.999 > 17 19 O 0.49516082000640 0.16106345287451 0.60840747920768 15.999 > 19 20 O 0.49516082000640 0.66106345287451 0.60840747920768 15.999 > 19 21 O 0.50483917999360 0.41106345287451 0.89159252079232 15.999 > 21 22 O 0.50483917999360 0.91106345287451 0.89159252079232 15.999 > 21 23 O 0.50483917999360 0.33893654712549 0.39159252079232 15.999 > 23 24 O 0.50483917999360 0.83893654712549 0.39159252079232 15.999 > 23 25 O 0.88799695281183 0.46333379786659 0.09879694282811 15.999 > 25 26 O 0.88799695281183 0.96333379786659 0.09879694282811 15.999 > 25 27 O 0.88799695281183 0.28666620213341 0.59879694282811 15.999 > 27 28 O 0.88799695281183 0.78666620213341 0.59879694282811 15.999 > 27 29 O 0.11200304718817 0.03666620213341 0.90120305717189 15.999 > 29 30 O 0.11200304718817 0.53666620213341 0.90120305717189 15.999 > 29 31 O 0.49516082000640 0.08893654712549 0.10840747920768 15.999 > 31 32 O 0.49516082000640 0.58893654712549 0.10840747920768 15.999 > 31 33 K 0.82597362234186 0.28772877140240 0.39358975655087 39.098 > 33 34 K 0.82597362234186 0.78772877140240 0.39358975655087 39.098 > 33 35 K 0.17402637765814 0.03772877140240 0.10641024344913 39.098 > 35 36 K 0.17402637765814 0.53772877140240 0.10641024344913 39.098 > 35 37 K 0.17402637765814 0.21227122859760 0.60641024344913 39.098 > 37 38 K 0.17402637765814 0.71227122859760 0.60641024344913 39.098 > 37 39 K 0.82597362234186 0.46227122859760 0.89358975655087 39.098 > 39 40 K 0.82597362234186 0.96227122859760 0.89358975655087 39.098 > 39 41 K 0.76566321176324 0.13537681765549 0.08504438096225 39.098 > 41 42 K 0.76566321176324 0.63537681765549 0.08504438096225 39.098 > 41 43 K 0.23433678823676 0.38537681765549 0.41495561903775 39.098 > 43 44 K 0.23433678823676 0.88537681765549 0.41495561903775 39.098 > 43 45 K 0.23433678823676 0.36462318234451 0.91495561903775 39.098 > 45 46 K 0.23433678823676 0.86462318234451 0.91495561903775 39.098 > 45 47 K 0.76566321176324 0.11462318234451 0.58504438096225 39.098 > 47 48 K 0.76566321176324 0.61462318234451 0.58504438096225 39.098 > 47 49 K 0.39759479828054 0.08330784157189 0.90639251912175 39.098 > 49 50 K 0.39759479828054 0.58330784157189 0.90639251912175 39.098 > 49 51 K 0.60240520171946 0.41669215842811 0.09360748087825 39.098 > 51 52 K 0.60240520171946 0.91669215842811 0.09360748087825 39.098 > 51 53 K 0.60240520171946 0.33330784157189 0.59360748087825 39.098 > 53 54 K 0.60240520171946 0.83330784157189 0.59360748087825 39.098 > 53 55 K 0.39759479828054 0.16669215842811 0.40639251912175 39.098 > 55 56 K 0.39759479828054 0.66669215842811 0.40639251912175 39.098 > 55 57 Cu 0.19467890885289 0.47647418480864 0.62575078169975 63.546 > 57 58 Cu 0.19467890885289 0.97647418480864 0.62575078169975 63.546 > 57 59 Cu 0.80532109114711 0.22647418480864 0.87424921830025 63.546 > 59 60 Cu 0.80532109114711 0.72647418480864 0.87424921830025 63.546 > 59 61 Cu 0.80532109114711 0.02352581519136 0.37424921830025 63.546 > 61 62 Cu 0.80532109114711 0.52352581519136 0.37424921830025 63.546 > 61 63 Cu 0.19467890885289 0.27352581519136 0.12575078169975 63.546 > 63 64 Cu 0.19467890885289 0.77352581519136 0.12575078169975 63.546 > 63 65 Cu 0.95010694972450 0.34239667443684 0.11311062102514 63.546 > 65 66 Cu 0.95010694972450 0.84239667443684 0.11311062102514 63.546 > 65 67 Cu 0.04989305027550 0.09239667443684 0.38688937897486 63.546 > 67 68 Cu 0.04989305027550 0.59239667443684 0.38688937897486 63.546 > 67 69 Cu 0.04989305027550 0.15760332556316 0.88688937897486 63.546 > 69 70 Cu 0.04989305027550 0.65760332556316 0.88688937897486 63.546 > 69 71 Cu 0.43581611029672 0.33386123657924 0.25470743724518 63.546 > 71 72 Cu 0.43581611029672 0.83386123657924 0.25470743724518 63.546 > 71 73 Cu 0.56418388970329 0.08386123657924 0.24529256275482 63.546 > 73 74 Cu 0.56418388970329 0.58386123657924 0.24529256275482 63.546 > 73 75 Cu 0.56418388970329 0.16613876342076 0.74529256275482 63.546 > 75 76 Cu 0.56418388970329 0.66613876342076 0.74529256275482 63.546 > 75 77 Cu 0.43581611029672 0.41613876342076 0.75470743724518 63.546 > 77 78 Cu 0.43581611029672 0.91613876342076 0.75470743724518 63.546 > 77 79 Cu 0.06564155487576 0.21950719568140 0.26368558428568 63.546 > 79 80 Cu 0.06564155487576 0.71950719568140 0.26368558428568 63.546 > 79 81 Cu 0.93435844512424 0.46950719568140 0.23631441571432 63.546 > 81 82 Cu 0.93435844512424 0.96950719568140 0.23631441571432 63.546 > 81 83 Cu 0.93435844512424 0.28049280431860 0.73631441571432 63.546 > 83 84 Cu 0.93435844512424 0.78049280431860 0.73631441571432 63.546 > 83 85 Cu 0.06564155487576 0.03049280431860 0.76368558428568 63.546 > 85 86 Cu 0.06564155487576 0.53049280431860 0.76368558428568 63.546 > 85 87 Cu 0.43424774213400 0.20782071207526 0.11542725430053 63.546 > 87 88 Cu 0.43424774213400 0.70782071207526 0.11542725430053 63.546 > 87 89 Cu 0.56575225786600 0.45782071207526 0.38457274569947 63.546 > 89 90 Cu 0.56575225786600 0.95782071207526 0.38457274569947 63.546 > 89 91 Cu 0.56575225786600 0.29217928792474 0.88457274569947 63.546 > 91 92 Cu 0.56575225786600 0.79217928792474 0.88457274569947 63.546 > 91 93 Cu 0.43424774213400 0.04217928792474 0.61542725430053 63.546 > 93 94 Cu 0.43424774213400 0.54217928792474 0.61542725430053 63.546 > 93 95 Cu 0.95010694972450 0.40760332556316 0.61311062102514 63.546 > 95 96 Cu 0.95010694972450 0.90760332556316 0.61311062102514 63.546 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4522161 0.0000000 0.0242103 0.0000000 4.3883338 0.0000000 0.0242096 0.0000000 4.3142824 -------------------------- Born effective charges -------------------------- 1 O -0.9473351 -0.4632933 0.1184468 -0.3139289 -1.7210664 0.1130971 -0.0072904 -0.0892801 -1.7166640 2 O -1.1020490 -0.0621885 0.0567107 -0.0183515 -1.1903231 0.0982261 -0.0455705 -0.0914219 -1.2938959 3 O -1.1020490 0.0621885 0.0567107 0.0183515 -1.1903231 -0.0982261 -0.0455705 0.0914219 -1.2938959 4 O -1.1020490 0.0621885 0.0567107 0.0183515 -1.1903231 -0.0982261 -0.0455705 0.0914219 -1.2938959 5 O -1.1020490 -0.0621885 0.0567107 -0.0183515 -1.1903231 0.0982261 -0.0455705 -0.0914219 -1.2938959 6 O -1.1493882 0.0476899 -0.0520273 0.0348427 -1.1961681 0.0450316 0.0645558 -0.1116702 -1.1095721 7 O -1.1493882 -0.0476899 -0.0520273 -0.0348427 -1.1961681 -0.0450316 0.0645558 0.1116702 -1.1095721 8 O -1.1493882 0.0476899 -0.0520273 0.0348427 -1.1961681 0.0450316 0.0645558 -0.1116702 -1.1095721 9 O -1.1493882 -0.0476899 -0.0520273 -0.0348427 -1.1961681 -0.0450316 0.0645558 0.1116702 -1.1095721 10 O -0.9975795 -0.5580185 -0.0953339 -0.4036558 -1.7060517 -0.1789437 0.0189818 0.0707801 -1.6854412 11 O -0.9975795 0.5580185 -0.0953339 0.4036558 -1.7060517 0.1789437 0.0189818 -0.0707801 -1.6854412 12 O -0.9975795 -0.5580185 -0.0953339 -0.4036558 -1.7060517 -0.1789437 0.0189818 0.0707801 -1.6854412 13 O -0.9473351 0.4632933 0.1184468 0.3139289 -1.7210664 -0.1130971 -0.0072904 0.0892801 -1.7166640 14 O -0.9473351 -0.4632933 0.1184468 -0.3139289 -1.7210664 0.1130971 -0.0072904 -0.0892801 -1.7166640 15 O -0.9473351 0.4632933 0.1184468 0.3139289 -1.7210664 -0.1130971 -0.0072904 0.0892801 -1.7166640 16 O -0.9975795 0.5580185 -0.0953339 0.4036558 -1.7060517 0.1789437 0.0189818 -0.0707801 -1.6854412 17 K 1.2250688 -0.0229158 -0.0050887 -0.0900702 1.3474261 0.0898079 -0.0264253 0.0626189 1.2312026 18 K 1.2250688 0.0229158 -0.0050887 0.0900702 1.3474261 -0.0898079 -0.0264253 -0.0626189 1.2312026 19 K 1.2250688 -0.0229158 -0.0050887 -0.0900702 1.3474261 0.0898079 -0.0264253 0.0626189 1.2312026 20 K 1.2250688 0.0229158 -0.0050887 0.0900702 1.3474261 -0.0898079 -0.0264253 -0.0626189 1.2312026 21 K 1.3787391 0.0938621 0.0431336 0.0577782 1.1928351 -0.2118326 0.0202256 -0.2083027 1.3012167 22 K 1.3787391 -0.0938621 0.0431336 -0.0577782 1.1928351 0.2118326 0.0202256 0.2083027 1.3012167 23 K 1.3787391 0.0938621 0.0431336 0.0577782 1.1928351 -0.2118326 0.0202256 -0.2083027 1.3012167 24 K 1.3787391 -0.0938621 0.0431336 -0.0577782 1.1928351 0.2118326 0.0202256 0.2083027 1.3012167 25 K 1.3522497 0.0499093 -0.0914020 0.0224983 1.1504075 0.1624417 -0.0458899 0.1582346 1.2924705 26 K 1.3522497 0.0499093 -0.0914020 0.0224983 1.1504075 0.1624417 -0.0458899 0.1582346 1.2924705 27 K 1.3522497 -0.0499093 -0.0914020 -0.0224983 1.1504075 -0.1624417 -0.0458899 -0.1582346 1.2924705 28 K 1.3522497 -0.0499093 -0.0914020 -0.0224983 1.1504075 -0.1624417 -0.0458899 -0.1582346 1.2924705 29 Cu 1.2531380 -0.4925056 0.0190812 -0.2939867 0.0008049 -0.0345888 0.0431572 -0.0508120 0.0073059 30 Cu 1.2531380 0.4925056 0.0190812 0.2939867 0.0008049 0.0345888 0.0431572 0.0508120 0.0073059 31 Cu 1.2531380 -0.4925056 0.0190812 -0.2939867 0.0008049 -0.0345888 0.0431572 -0.0508120 0.0073059 32 Cu 1.2531380 0.4925056 0.0190812 0.2939867 0.0008049 0.0345888 0.0431572 0.0508120 0.0073059 33 Cu -0.1690116 -0.7589782 0.0981639 -0.5287170 1.2262923 -0.0693854 0.0252728 0.0079292 -0.2474917 34 Cu -0.1690116 0.7589782 0.0981639 0.5287170 1.2262923 0.0693854 0.0252728 -0.0079292 -0.2474917 35 Cu -0.1690116 -0.7589782 0.0981639 -0.5287170 1.2262923 -0.0693854 0.0252728 0.0079292 -0.2474917 36 Cu -0.3257872 0.0842131 0.3353881 0.0540723 -0.1944055 0.4377401 0.1077377 0.0766405 1.2236393 37 Cu -0.3257872 -0.0842131 0.3353881 -0.0540723 -0.1944055 -0.4377401 0.1077377 -0.0766405 1.2236393 38 Cu -0.3257872 0.0842131 0.3353881 0.0540723 -0.1944055 0.4377401 0.1077377 0.0766405 1.2236393 39 Cu -0.3257872 -0.0842131 0.3353881 -0.0540723 -0.1944055 -0.4377401 0.1077377 -0.0766405 1.2236393 40 Cu -0.3921303 0.0851354 -0.3603501 0.0624954 -0.1729974 -0.4322954 -0.1174033 -0.1228160 1.3086408 41 Cu -0.3921303 -0.0851354 -0.3603501 -0.0624954 -0.1729974 0.4322954 -0.1174033 0.1228160 1.3086408 42 Cu -0.3921303 0.0851354 -0.3603501 0.0624954 -0.1729974 -0.4322954 -0.1174033 -0.1228160 1.3086408 43 Cu -0.3921303 -0.0851354 -0.3603501 -0.0624954 -0.1729974 0.4322954 -0.1174033 0.1228160 1.3086408 44 Cu -0.1259147 -0.8398985 -0.0667222 -0.5878228 1.2632464 0.0624480 -0.0373516 0.0178770 -0.3114109 45 Cu -0.1259147 0.8398985 -0.0667222 0.5878228 1.2632464 -0.0624480 -0.0373516 -0.0178770 -0.3114109 46 Cu -0.1259147 -0.8398985 -0.0667222 -0.5878228 1.2632464 0.0624480 -0.0373516 0.0178770 -0.3114109 47 Cu -0.1259147 0.8398985 -0.0667222 0.5878228 1.2632464 -0.0624480 -0.0373516 -0.0178770 -0.3114109 48 Cu -0.1690116 0.7589782 0.0981639 0.5287170 1.2262923 0.0693854 0.0252728 -0.0079292 -0.2474917 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 6 7 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: 0.43, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 56 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 0.946 ( 0.000 0.000 0.000) 0.000 1.021 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.182 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 14.248 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 14.325 ( 0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 0.000) 0.000 14.987 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.047 ( 0.000 0.000 0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 15.274 ( 0.000 0.000 0.000) 0.000 15.302 ( 0.000 0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.671 ( 0.000 0.000 0.000) 0.000 15.673 ( 0.000 0.000 0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 15.985 ( 0.000 0.000 0.000) 0.000 16.049 ( 0.000 0.000 0.000) 0.000 16.252 ( 0.000 0.000 0.000) 0.000 16.290 ( 0.000 0.000 0.000) 0.000 16.352 ( 0.000 0.000 0.000) 0.000 16.380 ( 0.000 0.000 0.000) 0.000 17.345 ( 0.000 0.000 0.000) 0.000 17.349 ( 0.000 0.000 0.000) 0.000 17.553 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 17.830 ( 0.000 0.000 0.000) 0.000 17.906 ( 0.000 0.000 0.000) 0.000 17.931 ( 0.000 0.000 0.000) 0.000 17.976 ( 0.000 0.000 0.000) 0.000 18.081 ( 0.000 0.000 0.000) 0.000 18.122 ( 0.000 0.000 0.000) 0.000 18.445 ( 0.000 0.000 0.000) 0.000 18.459 ( 0.000 0.000 0.000) 0.000 18.564 ( 0.000 0.000 0.000) 0.000 18.662 ( 0.000 0.000 0.000) 0.000 18.668 ( 0.000 0.000 0.000) 0.000 18.673 ( 0.000 0.000 0.000) 0.000 18.826 ( 0.000 0.000 0.000) 0.000 19.016 ( 0.000 0.000 0.000) 0.000 19.022 ( 0.000 0.000 0.000) 0.000 19.232 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 13.251 0.000 10.775) 17.079 0.342 ( 18.420 0.000 2.533) 18.594 0.637 ( 33.905 0.000 4.820) 34.246 0.993 ( 7.215 0.000 -8.375) 11.055 1.051 ( 4.975 0.000 -8.718) 10.038 1.131 ( -1.811 0.000 2.101) 2.774 1.189 ( -0.084 0.000 -2.621) 2.623 1.329 ( 1.967 0.000 5.093) 5.460 1.467 ( 0.621 0.000 1.226) 1.374 1.485 ( -0.248 0.000 0.435) 0.501 1.549 ( 5.974 0.000 -0.913) 6.044 1.657 ( -0.511 0.000 2.542) 2.593 1.723 ( 4.911 0.000 -0.503) 4.937 1.783 ( 7.936 0.000 6.219) 10.083 1.890 ( 2.019 0.000 -3.388) 3.944 1.973 ( -0.270 0.000 0.204) 0.338 2.032 ( -1.019 0.000 -0.856) 1.330 2.075 ( 2.484 0.000 -0.199) 2.492 2.104 ( 2.822 0.000 0.206) 2.830 2.173 ( 2.449 0.000 0.865) 2.597 2.289 ( -2.025 0.000 0.566) 2.103 2.308 ( 2.832 0.000 -1.929) 3.426 2.428 ( -5.842 0.000 -2.323) 6.287 2.482 ( -0.676 0.000 -3.182) 3.253 2.547 ( -3.097 0.000 -1.220) 3.328 2.641 ( -0.912 0.000 0.209) 0.936 2.850 ( -1.562 0.000 0.592) 1.670 2.893 ( -9.203 0.000 -4.202) 10.117 2.942 ( 0.581 0.000 -0.290) 0.649 2.967 ( -4.258 0.000 5.663) 7.085 3.014 ( -2.951 0.000 1.531) 3.325 3.059 ( -3.138 0.000 -2.729) 4.159 3.122 ( -1.606 0.000 4.153) 4.453 3.207 ( -6.217 0.000 2.189) 6.591 3.240 ( -2.771 0.000 -0.555) 2.826 3.252 ( -0.361 0.000 2.068) 2.099 3.270 ( 0.485 0.000 0.054) 0.488 3.327 ( 0.899 0.000 -0.237) 0.930 3.355 ( 1.093 0.000 1.122) 1.566 3.405 ( 1.008 0.000 -0.904) 1.354 3.408 ( -2.828 0.000 -6.030) 6.660 3.457 ( 1.186 0.000 -3.445) 3.643 3.475 ( 0.115 0.000 -0.353) 0.371 3.536 ( -5.096 0.000 2.750) 5.790 3.553 ( -3.643 0.000 -0.214) 3.650 3.600 ( -1.079 0.000 -0.526) 1.201 3.613 ( -1.925 0.000 2.503) 3.158 3.690 ( 0.380 0.000 -1.813) 1.852 3.697 ( 1.574 0.000 -0.813) 1.771 3.763 ( -7.005 0.000 -1.953) 7.272 3.782 ( 3.976 0.000 0.347) 3.991 3.783 ( -4.665 0.000 -0.657) 4.711 3.817 ( 1.000 0.000 3.310) 3.457 3.881 ( -4.205 0.000 0.080) 4.205 3.921 ( -3.099 0.000 0.150) 3.103 3.982 ( -0.600 0.000 0.089) 0.607 4.027 ( 0.416 0.000 -0.768) 0.874 4.036 ( 1.930 0.000 0.352) 1.962 4.072 ( -2.072 0.000 -2.578) 3.307 4.136 ( -1.487 0.000 0.074) 1.489 4.139 ( -2.499 0.000 1.248) 2.793 4.173 ( 2.195 0.000 -0.934) 2.385 4.243 ( 0.762 0.000 -0.004) 0.762 4.290 ( -2.566 0.000 0.713) 2.663 4.311 ( 0.048 0.000 2.047) 2.048 4.336 ( 2.073 0.000 1.151) 2.371 4.345 ( 0.663 0.000 -0.904) 1.121 4.379 ( 2.271 0.000 0.705) 2.378 4.416 ( 1.929 0.000 1.482) 2.432 4.435 ( 0.845 0.000 -2.640) 2.771 4.480 ( 3.732 0.000 0.712) 3.800 4.509 ( 0.308 0.000 -0.101) 0.324 4.559 ( 2.866 0.000 -0.407) 2.895 4.583 ( -1.908 0.000 -2.790) 3.380 4.746 ( -0.394 0.000 2.297) 2.331 4.808 ( -2.449 0.000 5.968) 6.451 4.906 ( -1.504 0.000 -0.539) 1.598 4.960 ( 2.764 0.000 0.219) 2.773 5.011 ( 0.762 0.000 -3.676) 3.754 5.055 ( 0.215 0.000 -0.383) 0.439 5.084 ( 0.438 0.000 -0.834) 0.942 5.128 ( 3.953 0.000 1.565) 4.252 5.232 ( -2.368 0.000 -0.993) 2.568 5.303 ( 4.178 0.000 1.553) 4.457 5.344 ( 4.136 0.000 0.378) 4.153 5.467 ( 3.517 0.000 -0.674) 3.581 5.722 ( -7.217 0.000 -1.630) 7.399 5.752 ( -9.574 0.000 1.043) 9.631 5.798 ( 1.957 0.000 0.229) 1.970 5.821 ( 0.987 0.000 -0.395) 1.063 5.883 ( -0.372 0.000 0.403) 0.549 6.002 ( 0.332 0.000 0.936) 0.993 6.159 ( 10.766 0.000 -0.937) 10.807 6.216 ( 8.210 0.000 0.842) 8.253 6.484 ( 2.718 0.000 0.409) 2.749 6.517 ( 3.901 0.000 -0.521) 3.936 6.676 ( -0.741 0.000 0.152) 0.757 6.728 ( -1.122 0.000 0.040) 1.123 6.781 ( 1.120 0.000 -0.181) 1.134 6.844 ( -0.908 0.000 -0.002) 0.908 7.032 ( -1.076 0.000 0.045) 1.077 7.146 ( -1.709 0.000 -0.460) 1.770 7.172 ( -2.574 0.000 -0.127) 2.578 7.237 ( -2.086 0.000 -3.909) 4.431 14.248 ( -0.034 0.000 0.155) 0.158 14.267 ( -0.104 0.000 -0.580) 0.590 14.316 ( -1.167 0.000 0.656) 1.339 14.351 ( -1.174 0.000 -0.356) 1.227 15.007 ( 1.781 0.000 1.028) 2.056 15.009 ( 0.380 0.000 -1.379) 1.430 15.079 ( 2.350 0.000 1.423) 2.747 15.123 ( 0.646 0.000 -1.363) 1.508 15.282 ( 0.526 0.000 -0.578) 0.782 15.298 ( -0.436 0.000 0.348) 0.558 15.519 ( -6.218 0.000 0.143) 6.219 15.576 ( -6.152 0.000 -1.127) 6.255 15.779 ( 6.640 0.000 -0.599) 6.667 15.810 ( 6.172 0.000 0.533) 6.195 16.000 ( 1.550 0.000 0.220) 1.565 16.052 ( 0.366 0.000 -0.284) 0.464 16.247 ( -0.886 0.000 0.952) 1.301 16.262 ( -2.895 0.000 -1.014) 3.067 16.339 ( -1.212 0.000 -0.533) 1.324 16.355 ( -2.549 0.000 0.179) 2.555 17.354 ( 0.879 0.000 -0.015) 0.879 17.359 ( 1.019 0.000 -0.041) 1.020 17.619 ( 1.594 0.000 -7.261) 7.433 17.629 ( 0.774 0.000 0.418) 0.880 17.834 ( 0.387 0.000 0.050) 0.390 17.908 ( 0.333 0.000 -0.314) 0.458 17.928 ( 0.084 0.000 -1.076) 1.080 17.990 ( 1.241 0.000 0.801) 1.477 18.118 ( -0.501 0.000 0.399) 0.640 18.285 ( 0.646 0.000 -6.369) 6.402 18.418 ( -2.756 0.000 0.374) 2.781 18.439 ( -2.189 0.000 0.512) 2.248 18.645 ( -8.067 0.000 25.112) 26.376 18.657 ( 1.063 0.000 -5.132) 5.241 18.664 ( 1.693 0.000 -0.896) 1.915 18.726 ( 2.878 0.000 2.233) 3.643 18.834 ( 0.637 0.000 0.647) 0.908 19.016 ( -0.585 0.000 0.037) 0.587 19.026 ( 0.815 0.000 0.448) 0.930 19.209 ( -2.598 0.000 0.051) 2.599 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 11.884 0.000 9.206) 15.033 0.665 ( 16.470 0.000 2.651) 16.682 0.995 ( -4.972 0.000 -7.559) 9.047 1.049 ( 1.916 0.000 -7.588) 7.826 1.165 ( -0.390 0.000 -2.986) 3.011 1.180 ( 11.625 0.000 -2.294) 11.849 1.233 ( 23.198 0.000 4.930) 23.716 1.299 ( -4.086 0.000 0.324) 4.099 1.447 ( -3.112 0.000 2.484) 3.982 1.548 ( 4.914 0.000 6.399) 8.069 1.665 ( -0.172 0.000 2.701) 2.707 1.758 ( 13.286 0.000 -0.877) 13.315 1.847 ( 7.689 0.000 -1.089) 7.765 1.908 ( 0.046 0.000 1.328) 1.329 1.933 ( 3.249 0.000 4.970) 5.938 1.979 ( -1.407 0.000 2.234) 2.640 2.003 ( -2.274 0.000 -2.113) 3.104 2.085 ( 2.591 0.000 -2.748) 3.777 2.154 ( 2.157 0.000 0.352) 2.186 2.226 ( 3.919 0.000 2.774) 4.802 2.288 ( 0.097 0.000 -2.288) 2.290 2.300 ( -4.331 0.000 -3.207) 5.389 2.365 ( 5.010 0.000 -2.946) 5.812 2.438 ( -2.725 0.000 -3.400) 4.357 2.515 ( 2.469 0.000 -0.092) 2.471 2.588 ( -6.747 0.000 -2.876) 7.335 2.698 ( -9.809 0.000 0.835) 9.845 2.795 ( -3.841 0.000 -0.468) 3.870 2.863 ( -3.322 0.000 2.863) 4.386 2.942 ( -4.860 0.000 -2.943) 5.682 3.009 ( -1.752 0.000 2.205) 2.816 3.010 ( 1.394 0.000 -0.795) 1.605 3.076 ( -13.485 0.000 5.551) 14.583 3.101 ( -2.514 0.000 1.643) 3.003 3.167 ( -3.084 0.000 -1.481) 3.421 3.202 ( -5.515 0.000 3.237) 6.395 3.294 ( 0.863 0.000 0.861) 1.220 3.297 ( -0.484 0.000 -9.783) 9.795 3.340 ( -3.651 0.000 1.932) 4.130 3.376 ( 0.018 0.000 3.416) 3.416 3.415 ( 0.278 0.000 2.208) 2.226 3.436 ( -1.373 0.000 2.180) 2.576 3.470 ( -1.196 0.000 -0.582) 1.330 3.477 ( 2.933 0.000 -4.159) 5.089 3.521 ( -2.011 0.000 -0.326) 2.037 3.571 ( -1.114 0.000 -1.269) 1.689 3.597 ( -0.927 0.000 1.632) 1.877 3.616 ( -4.281 0.000 -2.545) 4.980 3.661 ( -1.913 0.000 -2.882) 3.459 3.709 ( -4.085 0.000 -2.390) 4.733 3.723 ( 1.449 0.000 -0.126) 1.455 3.836 ( 0.266 0.000 -0.087) 0.280 3.853 ( 1.516 0.000 0.570) 1.620 3.869 ( 2.036 0.000 2.716) 3.394 3.920 ( 2.124 0.000 1.535) 2.620 3.969 ( -0.753 0.000 0.180) 0.774 4.028 ( 0.058 0.000 -0.228) 0.235 4.041 ( -1.186 0.000 -1.951) 2.284 4.057 ( 0.487 0.000 0.095) 0.497 4.109 ( -1.477 0.000 1.183) 1.892 4.114 ( -0.698 0.000 0.554) 0.891 4.202 ( 3.268 0.000 -2.905) 4.373 4.226 ( -4.290 0.000 -0.133) 4.292 4.255 ( 0.149 0.000 0.740) 0.755 4.304 ( -0.223 0.000 1.539) 1.555 4.346 ( -2.926 0.000 2.053) 3.575 4.381 ( 2.255 0.000 1.376) 2.641 4.406 ( 0.986 0.000 -0.717) 1.219 4.435 ( 1.175 0.000 0.783) 1.412 4.450 ( -0.078 0.000 0.240) 0.253 4.507 ( -0.379 0.000 -2.247) 2.278 4.551 ( 3.800 0.000 0.003) 3.800 4.552 ( -0.738 0.000 -0.829) 1.110 4.579 ( -0.385 0.000 0.028) 0.386 4.727 ( -1.245 0.000 -0.241) 1.268 4.801 ( -0.900 0.000 2.104) 2.289 4.904 ( 0.575 0.000 0.085) 0.581 5.019 ( 1.021 0.000 -1.177) 1.558 5.032 ( 3.965 0.000 0.342) 3.980 5.080 ( 3.525 0.000 -1.764) 3.942 5.116 ( 3.689 0.000 0.863) 3.788 5.206 ( 2.047 0.000 1.918) 2.805 5.210 ( 1.339 0.000 0.128) 1.345 5.338 ( 0.840 0.000 -1.315) 1.560 5.430 ( 2.408 0.000 1.800) 3.007 5.492 ( 0.083 0.000 -1.234) 1.236 5.588 ( -6.457 0.000 -1.038) 6.540 5.602 ( -6.897 0.000 0.502) 6.916 5.842 ( 1.517 0.000 -0.647) 1.649 5.844 ( 2.590 0.000 0.450) 2.628 5.880 ( -0.578 0.000 1.274) 1.399 5.991 ( -1.622 0.000 0.691) 1.763 6.332 ( 8.748 0.000 -0.719) 8.777 6.388 ( 9.896 0.000 0.016) 9.896 6.538 ( 2.591 0.000 -0.004) 2.591 6.601 ( 5.615 0.000 -1.307) 5.765 6.656 ( -1.623 0.000 0.488) 1.695 6.690 ( -3.648 0.000 0.915) 3.761 6.818 ( 3.273 0.000 -0.415) 3.299 6.819 ( -2.095 0.000 0.419) 2.137 7.011 ( -1.087 0.000 0.037) 1.088 7.109 ( -1.802 0.000 -0.505) 1.871 7.114 ( -3.459 0.000 -0.082) 3.460 7.160 ( -4.634 0.000 -1.016) 4.744 14.249 ( 0.092 0.000 0.207) 0.226 14.262 ( 0.036 0.000 -0.795) 0.795 14.297 ( -1.250 0.000 0.854) 1.514 14.325 ( -1.249 0.000 -0.343) 1.296 15.015 ( 0.847 0.000 -0.922) 1.252 15.052 ( 2.275 0.000 1.792) 2.896 15.123 ( 0.102 0.000 -1.983) 1.986 15.125 ( 1.744 0.000 0.928) 1.975 15.296 ( 1.667 0.000 -0.884) 1.887 15.304 ( 1.155 0.000 0.884) 1.454 15.419 ( -5.325 0.000 0.814) 5.386 15.465 ( -5.557 0.000 -1.436) 5.740 15.880 ( 4.753 0.000 -0.416) 4.771 15.920 ( 5.915 0.000 0.732) 5.960 16.033 ( 1.765 0.000 0.237) 1.781 16.057 ( 0.322 0.000 -0.225) 0.393 16.182 ( -4.977 0.000 -1.546) 5.211 16.237 ( -0.970 0.000 1.771) 2.020 16.308 ( -1.574 0.000 -1.055) 1.895 16.309 ( -2.385 0.000 0.243) 2.397 17.370 ( 0.788 0.000 -0.024) 0.788 17.379 ( 1.046 0.000 -0.043) 1.047 17.606 ( 0.110 0.000 -2.395) 2.397 17.647 ( 0.781 0.000 0.504) 0.930 17.841 ( 0.348 0.000 0.058) 0.352 17.913 ( 0.245 0.000 0.102) 0.266 17.924 ( 0.227 0.000 -1.551) 1.567 18.025 ( 1.856 0.000 1.276) 2.252 18.111 ( -0.511 0.000 0.375) 0.634 18.250 ( -1.240 0.000 -3.892) 4.085 18.371 ( -2.344 0.000 0.217) 2.354 18.403 ( -1.894 0.000 0.749) 2.036 18.640 ( -2.719 0.000 7.847) 8.305 18.650 ( 0.279 0.000 -1.740) 1.762 18.710 ( 3.170 0.000 0.692) 3.245 18.775 ( 1.250 0.000 0.729) 1.447 18.848 ( 0.462 0.000 0.510) 0.688 19.011 ( 0.163 0.000 0.850) 0.866 19.043 ( 0.758 0.000 0.417) 0.865 19.148 ( -3.720 0.000 -0.763) 3.797 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 0.000 -0.000) 0.000 0.848 ( 0.000 0.000 0.000) 0.000 0.918 ( -0.000 0.000 -0.000) 0.000 0.944 ( 0.000 0.000 0.000) 0.000 1.152 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.311 ( -0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 -0.000) 0.000 1.604 ( 0.000 0.000 -0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.779 ( -0.000 0.000 -0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 1.937 ( -0.000 0.000 -0.000) 0.000 1.951 ( 0.000 0.000 -0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 -0.000) 0.000 2.165 ( 0.000 0.000 -0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.307 ( -0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 -0.000) 0.000 2.454 ( -0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.831 ( -0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 -0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 -0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 -0.000) 0.000 3.298 ( -0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 -0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 -0.000) 0.000 3.560 ( 0.000 0.000 -0.000) 0.000 3.580 ( 0.000 0.000 -0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 -0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 -0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.419 ( -0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 -0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 -0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 -0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 -0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.321 ( -0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 -0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.555 ( -0.000 0.000 -0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.636 ( -0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 -0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 -0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 14.251 ( 0.000 0.000 0.000) 0.000 14.260 ( 0.000 0.000 -0.000) 0.000 14.288 ( 0.000 0.000 0.000) 0.000 14.312 ( 0.000 0.000 0.000) 0.000 15.021 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 15.106 ( 0.000 0.000 -0.000) 0.000 15.143 ( 0.000 0.000 0.000) 0.000 15.325 ( -0.000 0.000 0.000) 0.000 15.340 ( 0.000 0.000 0.000) 0.000 15.357 ( 0.000 0.000 -0.000) 0.000 15.388 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 15.998 ( 0.000 0.000 -0.000) 0.000 16.051 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.110 ( 0.000 0.000 0.000) 0.000 16.235 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.288 ( 0.000 0.000 -0.000) 0.000 17.377 ( 0.000 0.000 0.000) 0.000 17.389 ( 0.000 0.000 0.000) 0.000 17.600 ( 0.000 0.000 0.000) 0.000 17.656 ( 0.000 0.000 0.000) 0.000 17.844 ( 0.000 0.000 0.000) 0.000 17.916 ( 0.000 0.000 -0.000) 0.000 17.921 ( 0.000 0.000 0.000) 0.000 18.050 ( 0.000 0.000 -0.000) 0.000 18.107 ( 0.000 0.000 0.000) 0.000 18.221 ( 0.000 0.000 0.000) 0.000 18.350 ( 0.000 0.000 0.000) 0.000 18.388 ( 0.000 0.000 -0.000) 0.000 18.637 ( -0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 -0.000) 0.000 18.762 ( 0.000 0.000 0.000) 0.000 18.768 ( -0.000 0.000 -0.000) 0.000 18.854 ( 0.000 0.000 0.000) 0.000 19.026 ( 0.000 0.000 -0.000) 0.000 19.052 ( 0.000 0.000 0.000) 0.000 19.099 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 0.000 15.417 0.000) 15.417 0.382 ( 0.000 18.846 0.000) 18.846 0.605 ( 0.000 28.655 0.000) 28.655 1.006 ( 0.000 5.650 0.000) 5.650 1.155 ( 0.000 10.861 0.000) 10.861 1.195 ( 0.000 6.945 0.000) 6.945 1.269 ( 0.000 5.729 0.000) 5.729 1.349 ( 0.000 5.309 0.000) 5.309 1.409 ( 0.000 -3.136 0.000) 3.136 1.484 ( 0.000 3.130 0.000) 3.130 1.529 ( 0.000 -5.666 0.000) 5.666 1.618 ( 0.000 -2.374 0.000) 2.374 1.729 ( 0.000 4.085 0.000) 4.085 1.742 ( 0.000 3.574 0.000) 3.574 1.893 ( 0.000 0.312 0.000) 0.312 1.902 ( 0.000 -0.499 0.000) 0.499 2.059 ( 0.000 2.815 0.000) 2.815 2.073 ( 0.000 -0.884 0.000) 0.884 2.110 ( 0.000 1.173 0.000) 1.173 2.192 ( 0.000 2.172 0.000) 2.172 2.252 ( 0.000 4.926 0.000) 4.926 2.300 ( 0.000 -2.170 0.000) 2.170 2.492 ( 0.000 -0.206 0.000) 0.206 2.506 ( 0.000 0.523 0.000) 0.523 2.582 ( 0.000 -5.746 0.000) 5.746 2.624 ( 0.000 3.691 0.000) 3.691 2.845 ( 0.000 -5.128 0.000) 5.128 2.870 ( 0.000 -4.057 0.000) 4.057 2.925 ( 0.000 -7.474 0.000) 7.474 2.945 ( 0.000 4.027 0.000) 4.027 3.030 ( 0.000 -0.892 0.000) 0.892 3.107 ( 0.000 3.444 0.000) 3.444 3.184 ( 0.000 0.621 0.000) 0.621 3.200 ( 0.000 1.549 0.000) 1.549 3.254 ( 0.000 -1.875 0.000) 1.875 3.259 ( 0.000 4.414 0.000) 4.414 3.284 ( 0.000 -3.291 0.000) 3.291 3.314 ( 0.000 -4.899 0.000) 4.899 3.340 ( 0.000 0.903 0.000) 0.903 3.426 ( 0.000 1.112 0.000) 1.112 3.446 ( 0.000 -1.055 0.000) 1.055 3.496 ( 0.000 4.571 0.000) 4.571 3.536 ( 0.000 3.347 0.000) 3.347 3.550 ( 0.000 -2.097 0.000) 2.097 3.583 ( 0.000 -1.784 0.000) 1.784 3.623 ( 0.000 -0.439 0.000) 0.439 3.656 ( 0.000 -2.404 0.000) 2.404 3.662 ( 0.000 -1.196 0.000) 1.196 3.690 ( 0.000 0.426 0.000) 0.426 3.740 ( 0.000 2.613 0.000) 2.613 3.824 ( 0.000 0.236 0.000) 0.236 3.852 ( 0.000 5.283 0.000) 5.283 3.866 ( 0.000 -4.293 0.000) 4.293 3.914 ( 0.000 2.399 0.000) 2.399 3.955 ( 0.000 -0.584 0.000) 0.584 3.962 ( 0.000 -9.414 0.000) 9.414 4.012 ( 0.000 0.196 0.000) 0.196 4.025 ( 0.000 -1.614 0.000) 1.614 4.035 ( 0.000 -0.125 0.000) 0.125 4.118 ( 0.000 -2.557 0.000) 2.557 4.131 ( 0.000 -2.340 0.000) 2.340 4.170 ( 0.000 2.435 0.000) 2.435 4.238 ( 0.000 -0.785 0.000) 0.785 4.240 ( 0.000 1.642 0.000) 1.642 4.267 ( 0.000 -2.988 0.000) 2.988 4.277 ( 0.000 -0.099 0.000) 0.099 4.380 ( 0.000 0.437 0.000) 0.437 4.409 ( 0.000 1.035 0.000) 1.035 4.413 ( 0.000 2.773 0.000) 2.773 4.468 ( 0.000 1.241 0.000) 1.241 4.497 ( 0.000 4.236 0.000) 4.236 4.549 ( 0.000 2.831 0.000) 2.831 4.659 ( 0.000 3.387 0.000) 3.387 4.680 ( 0.000 -4.558 0.000) 4.558 4.685 ( 0.000 -2.944 0.000) 2.944 4.752 ( 0.000 1.883 0.000) 1.883 4.796 ( 0.000 -2.621 0.000) 2.621 4.921 ( 0.000 -6.091 0.000) 6.091 5.038 ( 0.000 0.247 0.000) 0.247 5.059 ( 0.000 1.538 0.000) 1.538 5.070 ( 0.000 3.948 0.000) 3.948 5.151 ( 0.000 1.736 0.000) 1.736 5.174 ( 0.000 -3.204 0.000) 3.204 5.299 ( 0.000 -1.287 0.000) 1.287 5.348 ( 0.000 5.238 0.000) 5.238 5.460 ( 0.000 2.983 0.000) 2.983 5.724 ( 0.000 -5.593 0.000) 5.593 5.801 ( 0.000 -2.694 0.000) 2.694 5.815 ( 0.000 -1.519 0.000) 1.519 5.823 ( 0.000 0.290 0.000) 0.290 5.899 ( 0.000 -0.935 0.000) 0.935 5.900 ( 0.000 -2.129 0.000) 2.129 6.080 ( 0.000 4.616 0.000) 4.616 6.120 ( 0.000 6.372 0.000) 6.372 6.446 ( 0.000 -0.695 0.000) 0.695 6.493 ( 0.000 0.252 0.000) 0.252 6.673 ( 0.000 -0.792 0.000) 0.792 6.732 ( 0.000 -0.216 0.000) 0.216 6.755 ( 0.000 -1.628 0.000) 1.628 6.868 ( 0.000 0.092 0.000) 0.092 7.103 ( 0.000 -0.859 0.000) 0.859 7.127 ( 0.000 -0.029 0.000) 0.029 7.155 ( 0.000 -0.751 0.000) 0.751 7.185 ( 0.000 -1.017 0.000) 1.017 14.252 ( 0.000 0.370 0.000) 0.370 14.274 ( 0.000 0.441 0.000) 0.441 14.316 ( 0.000 -0.771 0.000) 0.771 14.360 ( 0.000 -0.263 0.000) 0.263 14.993 ( 0.000 0.603 0.000) 0.603 15.023 ( 0.000 0.500 0.000) 0.500 15.054 ( 0.000 0.562 0.000) 0.562 15.108 ( 0.000 0.371 0.000) 0.371 15.280 ( 0.000 0.742 0.000) 0.742 15.309 ( 0.000 0.839 0.000) 0.839 15.586 ( 0.000 -1.937 0.000) 1.937 15.650 ( 0.000 -2.247 0.000) 2.247 15.691 ( 0.000 2.066 0.000) 2.066 15.739 ( 0.000 2.353 0.000) 2.353 15.986 ( 0.000 -0.872 0.000) 0.872 16.038 ( 0.000 -1.057 0.000) 1.057 16.222 ( 0.000 -2.674 0.000) 2.674 16.258 ( 0.000 -2.887 0.000) 2.887 16.326 ( 0.000 -2.541 0.000) 2.541 16.337 ( 0.000 -4.464 0.000) 4.464 17.366 ( 0.000 1.520 0.000) 1.520 17.477 ( 0.000 1.143 0.000) 1.143 17.546 ( 0.000 -0.849 0.000) 0.849 17.613 ( 0.000 -0.860 0.000) 0.860 17.823 ( 0.000 0.009 0.000) 0.009 17.944 ( 0.000 0.761 0.000) 0.761 17.967 ( 0.000 1.991 0.000) 1.991 18.060 ( 0.000 -1.577 0.000) 1.577 18.113 ( 0.000 -1.093 0.000) 1.093 18.123 ( 0.000 3.534 0.000) 3.534 18.422 ( 0.000 -2.097 0.000) 2.097 18.457 ( 0.000 -0.424 0.000) 0.424 18.592 ( 0.000 1.840 0.000) 1.840 18.683 ( 0.000 3.615 0.000) 3.615 18.700 ( 0.000 2.225 0.000) 2.225 18.715 ( 0.000 -0.589 0.000) 0.589 18.843 ( 0.000 1.349 0.000) 1.349 19.027 ( 0.000 0.758 0.000) 0.758 19.268 ( 0.000 3.330 0.000) 3.330 19.428 ( 0.000 0.936 0.000) 0.936 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 10.413 9.904 4.429) 15.037 0.444 ( 8.746 12.595 6.627) 16.705 0.893 ( 21.756 17.821 1.051) 28.143 0.982 ( 3.651 3.401 -6.606) 8.279 1.163 ( -0.514 6.616 -5.795) 8.810 1.239 ( 1.753 10.064 -1.221) 10.289 1.260 ( 0.088 4.996 0.081) 4.997 1.351 ( -2.439 2.250 2.678) 4.264 1.448 ( 7.306 -3.023 -1.340) 8.020 1.477 ( -1.929 -2.522 3.696) 4.873 1.502 ( 1.633 3.560 1.821) 4.320 1.703 ( 2.696 -3.619 4.371) 6.283 1.739 ( 2.593 2.939 -0.352) 3.935 1.782 ( 3.883 1.554 1.136) 4.335 1.886 ( 2.086 0.160 -2.578) 3.320 1.966 ( 1.748 1.382 2.287) 3.193 2.037 ( 1.666 -1.342 -2.599) 3.366 2.052 ( -1.575 -0.123 -1.859) 2.440 2.163 ( 4.572 3.015 -0.227) 5.481 2.228 ( 0.103 1.874 2.160) 2.861 2.277 ( 0.743 -1.688 1.631) 2.462 2.296 ( 2.078 2.151 1.380) 3.293 2.437 ( -5.184 2.129 -1.925) 5.926 2.479 ( -1.167 -0.400 -2.312) 2.620 2.558 ( -0.321 -3.023 -2.739) 4.092 2.622 ( -2.091 1.988 1.491) 3.248 2.767 ( -4.977 -3.280 -3.601) 6.963 2.851 ( -5.840 -6.415 5.780) 10.424 2.894 ( -0.813 -3.043 -1.989) 3.725 2.994 ( 0.485 2.524 3.594) 4.419 3.032 ( -0.435 -1.592 -1.867) 2.492 3.076 ( -3.650 1.702 -0.298) 4.039 3.135 ( -5.132 3.039 0.952) 6.040 3.165 ( -3.549 -2.349 0.117) 4.257 3.215 ( -4.804 -0.999 -0.871) 4.983 3.229 ( 0.611 -1.279 0.143) 1.425 3.269 ( -0.519 -1.295 -2.488) 2.852 3.324 ( 0.958 -0.753 2.899) 3.145 3.355 ( 1.318 0.220 -0.280) 1.365 3.386 ( -4.387 -0.964 -2.261) 5.028 3.444 ( 0.931 1.736 -0.375) 2.005 3.498 ( -0.583 2.768 -4.028) 4.922 3.521 ( -4.576 0.048 2.588) 5.257 3.534 ( 0.098 2.674 -2.054) 3.374 3.549 ( -3.674 -0.563 1.745) 4.106 3.585 ( -1.630 -0.531 0.777) 1.882 3.641 ( -1.452 0.750 -0.219) 1.648 3.668 ( -0.160 -1.668 -0.728) 1.827 3.698 ( 1.401 0.181 -0.297) 1.444 3.753 ( 1.521 0.249 0.028) 1.541 3.770 ( -5.338 -1.370 -0.473) 5.531 3.809 ( -3.139 2.570 -0.022) 4.057 3.857 ( -0.001 1.222 -1.011) 1.586 3.891 ( -0.151 1.671 2.376) 2.909 3.954 ( 0.554 0.704 1.371) 1.638 3.982 ( -3.327 0.021 -0.902) 3.447 4.010 ( 0.818 -0.822 -0.818) 1.419 4.038 ( 1.834 0.550 -0.096) 1.917 4.046 ( 1.377 -0.401 0.039) 1.435 4.113 ( -0.805 -1.901 -0.914) 2.257 4.139 ( 0.369 0.193 -0.448) 0.612 4.198 ( 2.716 0.167 0.362) 2.745 4.228 ( 0.815 -2.073 -0.611) 2.310 4.276 ( 0.132 -0.007 1.202) 1.209 4.298 ( 4.677 -1.044 0.430) 4.811 4.307 ( 1.618 -0.496 0.494) 1.764 4.358 ( -2.992 1.065 0.903) 3.301 4.362 ( -1.213 -0.898 -0.360) 1.551 4.404 ( -1.618 0.945 0.147) 1.880 4.483 ( 0.666 0.413 0.033) 0.784 4.504 ( 0.887 2.143 -0.702) 2.423 4.572 ( 1.281 1.408 -0.796) 2.063 4.619 ( -2.631 5.459 -1.017) 6.144 4.631 ( -0.950 3.645 -2.386) 4.459 4.717 ( -0.534 -2.373 2.824) 3.727 4.774 ( -1.349 -3.209 6.402) 7.287 4.803 ( 3.132 -4.727 -1.110) 5.778 4.913 ( 0.354 -1.961 -2.199) 2.968 5.025 ( 0.443 -2.239 0.877) 2.445 5.062 ( 1.404 2.882 -0.375) 3.227 5.089 ( 1.346 1.181 -0.338) 1.822 5.189 ( 3.495 1.696 -0.435) 3.909 5.235 ( -0.217 -1.117 -0.526) 1.254 5.295 ( 4.112 0.508 -0.342) 4.158 5.367 ( 1.566 2.515 0.900) 3.096 5.487 ( 1.976 1.321 -0.572) 2.445 5.678 ( -5.434 -4.475 0.045) 7.040 5.717 ( -7.477 -2.540 -0.143) 7.898 5.799 ( 0.386 -0.845 -0.293) 0.974 5.837 ( 0.331 1.580 0.822) 1.812 5.864 ( 0.441 -1.219 0.107) 1.300 5.970 ( 1.332 -2.715 0.650) 3.093 6.186 ( 8.658 1.298 1.586) 8.898 6.207 ( 9.221 3.302 -1.226) 9.871 6.474 ( 2.736 -0.694 0.549) 2.876 6.519 ( 3.094 -0.115 -0.454) 3.129 6.671 ( -0.416 -0.526 0.125) 0.682 6.723 ( -0.983 -0.344 -0.119) 1.049 6.761 ( 0.768 -1.610 0.208) 1.796 6.850 ( -1.506 0.229 -0.280) 1.549 7.046 ( -2.316 0.758 -0.157) 2.442 7.138 ( -1.814 -0.782 -0.130) 1.980 7.161 ( -2.420 -1.026 0.039) 2.629 7.179 ( 0.413 -3.087 -1.020) 3.277 14.241 ( -0.656 -0.109 0.290) 0.725 14.269 ( -0.310 0.215 -0.743) 0.834 14.311 ( -0.954 -0.594 0.740) 1.346 14.349 ( -1.049 -0.195 -0.320) 1.114 15.009 ( 1.151 0.332 0.481) 1.291 15.018 ( 0.674 0.680 -0.787) 1.240 15.084 ( 2.083 0.341 1.245) 2.450 15.123 ( 1.255 0.112 -1.083) 1.662 15.287 ( 0.816 0.811 -0.322) 1.194 15.309 ( -0.018 1.104 0.247) 1.131 15.521 ( -5.300 0.083 0.474) 5.322 15.578 ( -5.345 -0.056 -1.021) 5.442 15.767 ( 5.968 -0.401 -0.255) 5.986 15.809 ( 5.396 0.139 0.334) 5.408 15.997 ( 1.259 -0.708 0.076) 1.446 16.040 ( 0.241 -1.146 -0.172) 1.184 16.216 ( -1.246 -2.742 0.732) 3.100 16.235 ( -1.994 -2.509 -0.823) 3.309 16.314 ( -1.364 -2.786 -0.199) 3.109 16.318 ( -1.752 -3.347 0.023) 3.778 17.369 ( 0.332 1.262 -0.026) 1.305 17.422 ( -2.207 3.586 0.044) 4.210 17.573 ( 1.382 -2.655 -2.686) 4.022 17.618 ( 0.510 -1.273 -0.038) 1.371 17.833 ( 1.091 0.415 0.075) 1.169 17.941 ( 0.201 1.964 -1.144) 2.282 17.963 ( 0.020 1.641 -1.359) 2.131 18.019 ( -1.378 2.425 -0.117) 2.791 18.106 ( -0.300 -0.620 1.157) 1.347 18.189 ( 2.660 -3.144 -0.336) 4.132 18.414 ( -1.790 -2.174 1.533) 3.207 18.445 ( -2.089 -0.108 0.921) 2.286 18.602 ( -0.001 1.219 4.460) 4.624 18.669 ( 0.456 1.199 -4.793) 4.961 18.702 ( 1.281 2.876 0.792) 3.246 18.767 ( 2.287 1.137 3.957) 4.710 18.847 ( 0.530 1.399 0.032) 1.496 19.026 ( 0.038 0.864 -0.791) 1.172 19.227 ( -6.660 5.944 0.500) 8.941 19.277 ( -6.802 7.725 -0.240) 10.296 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 11.030 7.231 8.432) 15.654 0.682 ( 15.694 3.918 3.040) 16.459 1.014 ( 6.033 -0.069 -9.293) 11.080 1.077 ( -5.118 5.697 -3.570) 8.449 1.156 ( -5.955 3.638 -2.846) 7.536 1.264 ( -5.748 -2.067 1.300) 6.245 1.293 ( 13.215 5.586 -3.376) 14.739 1.361 ( 11.120 8.439 2.752) 14.229 1.496 ( -1.269 2.833 3.758) 4.874 1.533 ( 2.697 0.659 3.310) 4.321 1.628 ( 8.770 -4.840 2.564) 10.340 1.758 ( 4.317 0.552 3.764) 5.754 1.789 ( 0.520 -4.831 -1.500) 5.085 1.855 ( 3.063 -1.103 -1.177) 3.461 1.930 ( 1.052 -0.657 -1.769) 2.160 1.979 ( 0.378 2.641 3.206) 4.171 2.024 ( -2.512 -1.802 0.098) 3.093 2.068 ( 4.067 -1.008 -0.439) 4.213 2.187 ( 0.836 2.040 -0.268) 2.221 2.248 ( -4.321 -1.690 0.179) 4.643 2.310 ( 7.484 0.646 -1.714) 7.705 2.365 ( 4.516 3.706 2.348) 6.297 2.400 ( 0.803 2.848 0.445) 2.992 2.429 ( -3.394 1.368 -3.293) 4.923 2.489 ( -2.906 1.424 -6.477) 7.241 2.600 ( -3.679 -2.330 4.753) 6.446 2.655 ( -5.261 -0.953 -2.839) 6.053 2.783 ( -3.296 -2.567 2.032) 4.646 2.857 ( -1.984 0.353 -1.191) 2.341 2.878 ( -8.400 -3.653 0.448) 9.171 3.007 ( -6.138 -4.096 -1.191) 7.475 3.014 ( -2.963 1.411 2.074) 3.882 3.090 ( -0.196 1.171 1.314) 1.771 3.109 ( -3.851 1.483 1.271) 4.318 3.167 ( -0.786 0.186 0.078) 0.812 3.203 ( -5.223 1.597 -2.019) 5.823 3.256 ( 1.189 -2.184 -6.273) 6.748 3.290 ( 0.433 -0.878 0.505) 1.101 3.341 ( -1.222 -0.006 2.288) 2.594 3.388 ( 1.236 2.093 1.961) 3.123 3.424 ( -4.140 0.819 2.943) 5.145 3.463 ( -1.195 0.906 0.344) 1.539 3.475 ( -0.101 -0.425 -1.264) 1.337 3.509 ( -0.359 3.593 1.784) 4.028 3.536 ( -0.162 1.591 -1.983) 2.548 3.581 ( 1.135 0.227 -1.037) 1.554 3.607 ( -1.624 2.264 -1.552) 3.190 3.645 ( -1.828 0.845 -1.461) 2.488 3.678 ( -2.842 1.572 -0.455) 3.279 3.721 ( -0.859 2.307 -0.287) 2.479 3.759 ( -1.378 1.959 -0.702) 2.496 3.803 ( 2.354 -1.005 0.401) 2.590 3.847 ( -0.828 1.454 -0.214) 1.687 3.880 ( -1.291 -0.595 0.926) 1.696 3.935 ( -0.963 -1.234 -0.351) 1.604 3.988 ( 1.575 2.181 2.255) 3.510 4.021 ( 0.420 0.120 -0.281) 0.520 4.042 ( -1.140 0.341 -0.042) 1.191 4.067 ( 1.454 1.177 -1.186) 2.215 4.103 ( 0.742 -0.607 0.004) 0.958 4.154 ( 1.108 1.863 -0.364) 2.198 4.210 ( -0.956 1.640 -2.079) 2.815 4.247 ( -0.976 0.807 0.151) 1.275 4.270 ( 0.891 1.113 1.927) 2.397 4.310 ( -1.785 1.474 1.682) 2.861 4.327 ( 1.038 -3.337 0.555) 3.538 4.369 ( 2.609 -2.579 -0.804) 3.756 4.380 ( -0.356 1.548 0.783) 1.771 4.390 ( 0.885 -3.285 0.582) 3.451 4.480 ( -0.635 0.271 0.603) 0.917 4.507 ( -0.412 -1.283 -1.056) 1.712 4.550 ( -1.187 2.348 -1.684) 3.124 4.595 ( -0.744 4.017 0.959) 4.197 4.618 ( -0.384 2.784 -0.727) 2.903 4.713 ( -0.011 -1.278 -0.029) 1.279 4.770 ( -0.902 -2.721 1.709) 3.337 4.880 ( 3.327 -2.340 -0.014) 4.067 4.936 ( 3.503 -2.917 0.387) 4.575 5.065 ( 2.057 -0.762 0.786) 2.330 5.096 ( 2.971 1.046 -0.072) 3.151 5.119 ( 2.270 1.024 -0.233) 2.501 5.190 ( -1.845 -0.972 -2.108) 2.965 5.255 ( 3.060 2.674 0.721) 4.127 5.358 ( 1.258 0.940 0.512) 1.652 5.410 ( 2.242 -0.523 0.216) 2.312 5.494 ( -0.775 -0.966 -0.869) 1.513 5.580 ( -5.143 -2.121 0.487) 5.584 5.584 ( -6.100 -0.394 -0.288) 6.120 5.819 ( 1.448 -1.599 -0.120) 2.161 5.861 ( 1.757 0.744 -0.224) 1.921 5.869 ( -0.183 -0.858 1.195) 1.483 5.968 ( -1.259 -2.143 0.462) 2.528 6.341 ( 7.892 0.866 -0.361) 7.947 6.381 ( 9.786 0.095 0.093) 9.787 6.529 ( 2.560 -0.769 0.185) 2.680 6.587 ( 4.521 -1.339 -0.983) 4.817 6.657 ( -1.236 0.156 0.405) 1.310 6.687 ( -3.323 -0.148 0.608) 3.381 6.791 ( 2.501 -1.952 -0.302) 3.187 6.817 ( -2.054 -0.410 0.266) 2.111 7.017 ( -0.911 0.447 -0.201) 1.035 7.100 ( -2.192 -0.857 -0.120) 2.356 7.107 ( -3.060 -0.691 -0.016) 3.137 7.138 ( -3.614 -1.843 -0.625) 4.105 14.237 ( -0.068 -0.792 0.363) 0.874 14.257 ( -0.416 -0.437 -0.828) 1.025 14.297 ( -0.943 -0.094 0.828) 1.259 14.326 ( -1.114 -0.036 -0.363) 1.172 15.019 ( 0.767 0.384 -0.846) 1.205 15.051 ( 1.747 -0.148 1.551) 2.341 15.118 ( 0.648 -0.094 -0.348) 0.742 15.136 ( 1.224 0.560 -0.580) 1.466 15.309 ( 2.046 1.428 -0.731) 2.600 15.320 ( 1.349 1.519 0.696) 2.148 15.433 ( -4.891 1.275 0.820) 5.120 15.478 ( -5.054 1.206 -1.265) 5.348 15.863 ( 4.764 -1.379 -0.219) 4.964 15.908 ( 5.441 -1.167 0.387) 5.578 16.018 ( 0.503 -1.620 -0.100) 1.700 16.044 ( 0.122 -1.401 0.197) 1.420 16.160 ( -3.842 -1.895 -1.309) 4.479 16.218 ( -0.624 -1.830 1.489) 2.440 16.281 ( -1.921 -2.666 0.257) 3.296 16.287 ( -1.407 -2.038 -0.954) 2.654 17.376 ( 0.453 0.787 -0.036) 0.908 17.411 ( 0.242 2.473 0.060) 2.485 17.569 ( -0.193 -2.865 -1.330) 3.164 17.626 ( 0.318 -2.116 0.063) 2.141 17.859 ( 1.564 1.654 0.235) 2.289 17.934 ( -0.658 2.144 -0.474) 2.292 17.957 ( 0.414 2.375 -1.912) 3.077 18.014 ( 0.106 -0.538 1.210) 1.328 18.108 ( -0.122 -0.167 0.479) 0.522 18.211 ( 0.892 -1.898 -1.037) 2.339 18.380 ( -2.529 -1.740 0.414) 3.097 18.402 ( -2.098 0.765 0.090) 2.235 18.624 ( -1.031 0.242 5.354) 5.458 18.661 ( 1.313 1.383 -3.898) 4.340 18.745 ( 2.941 2.620 0.817) 4.022 18.810 ( 0.460 1.776 1.207) 2.196 18.870 ( 1.661 1.876 1.461) 2.901 19.010 ( -1.465 1.440 -1.167) 2.363 19.132 ( -2.177 5.791 0.204) 6.190 19.202 ( -3.908 4.770 0.393) 6.179 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 6.166 0.000) 6.166 0.904 ( -0.000 5.584 -0.000) 5.584 0.960 ( -0.000 4.248 -0.000) 4.248 0.981 ( 0.000 3.622 0.000) 3.622 1.097 ( 0.000 -3.298 -0.000) 3.298 1.202 ( 0.000 -1.490 0.000) 1.490 1.360 ( 0.000 2.218 0.000) 2.218 1.456 ( 0.000 7.891 -0.000) 7.891 1.551 ( 0.000 -4.168 0.000) 4.168 1.611 ( 0.000 -2.791 -0.000) 2.791 1.755 ( 0.000 -8.220 0.000) 8.220 1.760 ( 0.000 -3.385 -0.000) 3.385 1.821 ( 0.000 6.271 0.000) 6.271 1.874 ( 0.000 -1.981 0.000) 1.981 1.892 ( 0.000 -3.112 0.000) 3.112 1.982 ( 0.000 0.427 0.000) 0.427 2.012 ( 0.000 3.669 0.000) 3.669 2.122 ( 0.000 -2.199 0.000) 2.199 2.195 ( 0.000 1.875 0.000) 1.875 2.264 ( 0.000 -1.516 -0.000) 1.516 2.292 ( -0.000 -2.222 0.000) 2.222 2.386 ( 0.000 1.268 0.000) 1.268 2.399 ( 0.000 4.896 -0.000) 4.896 2.456 ( 0.000 -0.927 0.000) 0.927 2.502 ( -0.000 5.599 0.000) 5.599 2.508 ( 0.000 -0.003 -0.000) 0.003 2.604 ( 0.000 -2.761 0.000) 2.761 2.774 ( 0.000 -5.553 -0.000) 5.553 2.783 ( 0.000 0.876 0.000) 0.876 2.828 ( -0.000 -1.816 0.000) 1.816 2.946 ( 0.000 3.816 0.000) 3.816 2.996 ( 0.000 -0.566 0.000) 0.566 3.033 ( 0.000 -2.014 -0.000) 2.014 3.068 ( 0.000 5.274 -0.000) 5.274 3.164 ( 0.000 1.841 0.000) 1.841 3.185 ( 0.000 0.460 -0.000) 0.460 3.269 ( 0.000 -1.824 0.000) 1.824 3.286 ( 0.000 0.700 -0.000) 0.700 3.325 ( 0.000 1.355 0.000) 1.355 3.396 ( 0.000 -1.687 0.000) 1.687 3.409 ( 0.000 2.374 0.000) 2.374 3.450 ( 0.000 0.970 -0.000) 0.970 3.481 ( 0.000 -0.795 0.000) 0.795 3.506 ( 0.000 1.988 0.000) 1.988 3.536 ( 0.000 4.864 0.000) 4.864 3.582 ( 0.000 1.445 -0.000) 1.445 3.595 ( 0.000 0.968 -0.000) 0.968 3.619 ( 0.000 3.541 0.000) 3.541 3.667 ( -0.000 3.763 0.000) 3.763 3.668 ( 0.000 0.499 -0.000) 0.499 3.759 ( 0.000 0.775 0.000) 0.775 3.830 ( 0.000 -1.145 0.000) 1.145 3.849 ( 0.000 -0.968 0.000) 0.968 3.858 ( 0.000 0.942 -0.000) 0.942 3.927 ( 0.000 -2.468 0.000) 2.468 4.017 ( -0.000 1.730 -0.000) 1.730 4.019 ( 0.000 -0.126 0.000) 0.126 4.029 ( 0.000 0.202 0.000) 0.202 4.079 ( 0.000 2.342 -0.000) 2.342 4.128 ( 0.000 -0.857 0.000) 0.857 4.154 ( 0.000 3.208 0.000) 3.208 4.167 ( 0.000 2.055 0.000) 2.055 4.275 ( -0.000 2.137 0.000) 2.137 4.278 ( 0.000 -0.417 -0.000) 0.417 4.286 ( 0.000 1.010 0.000) 1.010 4.346 ( 0.000 -3.746 0.000) 3.746 4.368 ( 0.000 4.021 0.000) 4.021 4.385 ( 0.000 -3.227 -0.000) 3.227 4.408 ( 0.000 -2.278 0.000) 2.278 4.483 ( 0.000 -1.023 -0.000) 1.023 4.487 ( 0.000 -0.907 0.000) 0.907 4.540 ( 0.000 1.214 -0.000) 1.214 4.587 ( 0.000 2.715 0.000) 2.715 4.611 ( 0.000 2.989 -0.000) 2.989 4.716 ( 0.000 -0.414 -0.000) 0.414 4.766 ( 0.000 -2.819 0.000) 2.819 4.904 ( 0.000 -0.634 0.000) 0.634 4.986 ( 0.000 -2.439 0.000) 2.439 5.089 ( 0.000 0.459 0.000) 0.459 5.138 ( 0.000 0.303 0.000) 0.303 5.144 ( -0.000 -2.068 0.000) 2.068 5.156 ( 0.000 -2.143 -0.000) 2.143 5.297 ( 0.000 2.551 0.000) 2.551 5.351 ( -0.000 1.496 0.000) 1.496 5.428 ( 0.000 -0.943 0.000) 0.943 5.492 ( 0.000 0.319 0.000) 0.319 5.500 ( -0.000 -2.351 -0.000) 2.351 5.547 ( 0.000 0.167 0.000) 0.167 5.834 ( 0.000 -1.900 0.000) 1.900 5.869 ( 0.000 -0.827 0.000) 0.827 5.884 ( 0.000 0.403 0.000) 0.403 5.952 ( 0.000 -1.983 0.000) 1.983 6.420 ( 0.000 0.224 0.000) 0.224 6.499 ( 0.000 -0.733 0.000) 0.733 6.548 ( 0.000 -0.662 -0.000) 0.662 6.616 ( 0.000 -1.096 0.000) 1.096 6.645 ( 0.000 0.607 0.000) 0.607 6.654 ( 0.000 -0.942 0.000) 0.942 6.787 ( 0.000 -0.325 0.000) 0.325 6.827 ( 0.000 -2.699 0.000) 2.699 7.012 ( 0.000 0.603 0.000) 0.603 7.070 ( 0.000 -0.594 0.000) 0.594 7.082 ( 0.000 -0.744 0.000) 0.744 7.091 ( 0.000 -1.091 0.000) 1.091 14.239 ( 0.000 -0.976 0.000) 0.976 14.250 ( 0.000 -0.814 0.000) 0.814 14.291 ( 0.000 0.186 0.000) 0.186 14.314 ( 0.000 0.047 0.000) 0.047 15.025 ( 0.000 0.324 0.000) 0.324 15.076 ( 0.000 -1.131 0.000) 1.131 15.114 ( 0.000 0.681 -0.000) 0.681 15.149 ( 0.000 0.358 -0.000) 0.358 15.338 ( -0.000 1.339 0.000) 1.339 15.358 ( 0.000 1.743 -0.000) 1.743 15.374 ( 0.000 1.648 -0.000) 1.648 15.409 ( 0.000 2.008 0.000) 2.008 15.911 ( 0.000 -1.234 0.000) 1.234 15.983 ( 0.000 -1.432 -0.000) 1.432 16.014 ( 0.000 -2.962 0.000) 2.962 16.031 ( 0.000 -2.906 0.000) 2.906 16.115 ( 0.000 0.216 0.000) 0.216 16.219 ( 0.000 -1.397 0.000) 1.397 16.260 ( 0.000 -2.363 0.000) 2.363 16.270 ( 0.000 -1.798 0.000) 1.798 17.381 ( 0.000 0.566 0.000) 0.566 17.415 ( 0.000 2.068 0.000) 2.068 17.562 ( 0.000 -3.019 0.000) 3.019 17.629 ( 0.000 -2.594 0.000) 2.594 17.878 ( 0.000 3.316 0.000) 3.316 17.922 ( 0.000 0.350 0.000) 0.350 17.956 ( 0.000 3.263 0.000) 3.263 18.022 ( 0.000 -2.074 -0.000) 2.074 18.107 ( 0.000 -0.016 0.000) 0.016 18.218 ( 0.000 -0.295 0.000) 0.295 18.351 ( 0.000 -1.006 0.000) 1.006 18.385 ( 0.000 0.095 0.000) 0.095 18.628 ( 0.000 0.022 0.000) 0.022 18.663 ( 0.000 1.748 -0.000) 1.748 18.794 ( 0.000 1.440 0.000) 1.440 18.801 ( -0.000 2.639 -0.000) 2.639 18.895 ( 0.000 3.911 0.000) 3.911 18.985 ( 0.000 -0.115 -0.000) 0.115 19.134 ( 0.000 3.096 0.000) 3.096 19.151 ( 0.000 5.680 0.000) 5.680 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.000 15.382 0.000) 15.382 0.753 ( 0.000 17.981 0.000) 17.981 1.114 ( 0.000 20.339 0.000) 20.339 1.155 ( 0.000 8.615 0.000) 8.615 1.308 ( 0.000 1.518 0.000) 1.518 1.358 ( 0.000 6.436 0.000) 6.436 1.410 ( 0.000 5.490 0.000) 5.490 1.411 ( 0.000 0.639 0.000) 0.639 1.433 ( 0.000 1.955 0.000) 1.955 1.478 ( 0.000 7.266 0.000) 7.266 1.580 ( 0.000 6.532 0.000) 6.532 1.586 ( 0.000 0.095 0.000) 0.095 1.768 ( 0.000 -0.196 0.000) 0.196 1.784 ( 0.000 0.509 0.000) 0.509 1.851 ( 0.000 -3.615 0.000) 3.615 1.907 ( 0.000 -0.111 0.000) 0.111 2.083 ( 0.000 1.443 0.000) 1.443 2.098 ( 0.000 1.269 0.000) 1.269 2.170 ( 0.000 4.037 0.000) 4.037 2.229 ( 0.000 0.784 0.000) 0.784 2.232 ( 0.000 -4.450 0.000) 4.450 2.336 ( 0.000 1.205 0.000) 1.205 2.427 ( 0.000 -5.483 0.000) 5.483 2.515 ( 0.000 2.713 0.000) 2.713 2.536 ( 0.000 -0.158 0.000) 0.158 2.657 ( 0.000 -3.470 0.000) 3.470 2.752 ( 0.000 -5.007 0.000) 5.007 2.778 ( 0.000 1.172 0.000) 1.172 2.829 ( 0.000 -2.075 0.000) 2.075 2.921 ( 0.000 -2.533 0.000) 2.533 3.101 ( 0.000 2.060 0.000) 2.060 3.148 ( 0.000 -2.552 0.000) 2.552 3.161 ( 0.000 0.069 0.000) 0.069 3.217 ( 0.000 -1.676 0.000) 1.676 3.224 ( 0.000 3.605 0.000) 3.605 3.263 ( 0.000 0.254 0.000) 0.254 3.269 ( 0.000 1.249 0.000) 1.249 3.363 ( 0.000 0.703 0.000) 0.703 3.381 ( 0.000 5.980 0.000) 5.980 3.416 ( 0.000 -2.218 0.000) 2.218 3.428 ( 0.000 -0.988 0.000) 0.988 3.515 ( 0.000 -1.224 0.000) 1.224 3.527 ( 0.000 -5.632 0.000) 5.632 3.532 ( 0.000 -3.083 0.000) 3.083 3.587 ( 0.000 0.030 0.000) 0.030 3.616 ( 0.000 -1.531 0.000) 1.531 3.616 ( 0.000 0.150 0.000) 0.150 3.660 ( 0.000 2.109 0.000) 2.109 3.714 ( 0.000 4.652 0.000) 4.652 3.766 ( 0.000 0.425 0.000) 0.425 3.767 ( 0.000 0.638 0.000) 0.638 3.812 ( 0.000 0.510 0.000) 0.510 3.892 ( 0.000 0.593 0.000) 0.593 3.895 ( 0.000 -0.858 0.000) 0.858 3.925 ( 0.000 -5.124 0.000) 5.124 3.943 ( 0.000 -0.396 0.000) 0.396 3.991 ( 0.000 1.658 0.000) 1.658 4.016 ( 0.000 -0.135 0.000) 0.135 4.071 ( 0.000 -0.958 0.000) 0.958 4.085 ( 0.000 -1.969 0.000) 1.969 4.098 ( 0.000 2.620 0.000) 2.620 4.185 ( 0.000 0.254 0.000) 0.254 4.218 ( 0.000 -1.202 0.000) 1.202 4.230 ( 0.000 -0.330 0.000) 0.330 4.266 ( 0.000 -0.741 0.000) 0.741 4.299 ( 0.000 0.909 0.000) 0.909 4.371 ( 0.000 -1.166 0.000) 1.166 4.408 ( 0.000 -0.647 0.000) 0.647 4.477 ( 0.000 3.789 0.000) 3.789 4.501 ( 0.000 -2.687 0.000) 2.687 4.518 ( 0.000 2.654 0.000) 2.654 4.590 ( 0.000 0.029 0.000) 0.029 4.610 ( 0.000 -3.690 0.000) 3.690 4.635 ( 0.000 0.219 0.000) 0.219 4.715 ( 0.000 1.228 0.000) 1.228 4.719 ( 0.000 -4.311 0.000) 4.311 4.779 ( 0.000 1.366 0.000) 1.366 4.886 ( 0.000 1.522 0.000) 1.522 4.999 ( 0.000 -1.335 0.000) 1.335 5.040 ( 0.000 -3.940 0.000) 3.940 5.154 ( 0.000 4.503 0.000) 4.503 5.183 ( 0.000 0.437 0.000) 0.437 5.191 ( 0.000 5.095 0.000) 5.095 5.293 ( 0.000 0.717 0.000) 0.717 5.440 ( 0.000 3.393 0.000) 3.393 5.507 ( 0.000 1.640 0.000) 1.640 5.572 ( 0.000 -8.806 0.000) 8.806 5.687 ( 0.000 -7.530 0.000) 7.530 5.814 ( 0.000 0.823 0.000) 0.823 5.834 ( 0.000 0.720 0.000) 0.720 5.877 ( 0.000 -1.058 0.000) 1.058 5.888 ( 0.000 -0.027 0.000) 0.027 6.180 ( 0.000 5.301 0.000) 5.301 6.259 ( 0.000 6.993 0.000) 6.993 6.432 ( 0.000 -0.957 0.000) 0.957 6.486 ( 0.000 -1.027 0.000) 1.027 6.655 ( 0.000 -0.859 0.000) 0.859 6.713 ( 0.000 -2.451 0.000) 2.451 6.733 ( 0.000 0.558 0.000) 0.558 6.858 ( 0.000 -1.311 0.000) 1.311 7.087 ( 0.000 -0.482 0.000) 0.482 7.125 ( 0.000 -0.223 0.000) 0.223 7.139 ( 0.000 -0.726 0.000) 0.726 7.158 ( 0.000 -1.496 0.000) 1.496 14.262 ( 0.000 0.625 0.000) 0.625 14.288 ( 0.000 0.906 0.000) 0.906 14.300 ( 0.000 -0.775 0.000) 0.775 14.350 ( 0.000 -0.695 0.000) 0.695 15.010 ( 0.000 0.993 0.000) 0.993 15.039 ( 0.000 1.048 0.000) 1.048 15.061 ( 0.000 -0.005 0.000) 0.005 15.110 ( 0.000 -0.418 0.000) 0.418 15.312 ( 0.000 2.701 0.000) 2.701 15.339 ( 0.000 2.130 0.000) 2.130 15.532 ( 0.000 -3.280 0.000) 3.280 15.585 ( 0.000 -4.118 0.000) 4.118 15.755 ( 0.000 4.161 0.000) 4.161 15.805 ( 0.000 4.050 0.000) 4.050 15.965 ( 0.000 -1.141 0.000) 1.141 16.010 ( 0.000 -1.641 0.000) 1.641 16.160 ( 0.000 -3.106 0.000) 3.106 16.191 ( 0.000 -3.306 0.000) 3.306 16.222 ( 0.000 -6.206 0.000) 6.206 16.258 ( 0.000 -4.107 0.000) 4.107 17.402 ( 0.000 1.931 0.000) 1.931 17.502 ( 0.000 1.246 0.000) 1.246 17.518 ( 0.000 -1.854 0.000) 1.854 17.586 ( 0.000 -1.690 0.000) 1.690 17.845 ( 0.000 2.264 0.000) 2.264 17.943 ( 0.000 0.501 0.000) 0.501 18.029 ( 0.000 -1.590 0.000) 1.590 18.057 ( 0.000 5.386 0.000) 5.386 18.075 ( 0.000 -2.616 0.000) 2.616 18.203 ( 0.000 4.305 0.000) 4.305 18.363 ( 0.000 -3.688 0.000) 3.688 18.432 ( 0.000 -2.146 0.000) 2.146 18.633 ( 0.000 2.388 0.000) 2.388 18.708 ( 0.000 -0.151 0.000) 0.151 18.749 ( 0.000 2.652 0.000) 2.652 18.795 ( 0.000 6.444 0.000) 6.444 18.863 ( 0.000 0.358 0.000) 0.358 19.033 ( 0.000 -0.451 0.000) 0.451 19.347 ( 0.000 4.078 0.000) 4.078 19.448 ( 0.000 0.817 0.000) 0.817 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 3.592 13.804 2.331) 14.453 0.746 ( 2.152 16.200 3.793) 16.776 1.080 ( -2.969 7.609 -5.447) 9.818 1.244 ( 7.966 8.242 -3.154) 11.888 1.290 ( -1.117 3.015 -0.412) 3.242 1.335 ( -1.395 8.675 -0.633) 8.809 1.373 ( -2.525 0.278 -2.311) 3.434 1.421 ( 0.613 4.668 0.627) 4.750 1.454 ( 2.196 6.079 1.637) 6.668 1.495 ( -0.421 2.737 3.846) 4.739 1.604 ( -0.444 -0.034 3.243) 3.273 1.640 ( 4.681 3.748 2.474) 6.487 1.770 ( 1.047 0.625 -0.475) 1.308 1.789 ( 1.599 -0.725 -1.174) 2.112 1.872 ( 2.426 -2.655 0.066) 3.597 1.949 ( 3.610 -1.780 -0.970) 4.140 2.038 ( -2.046 2.804 0.829) 3.568 2.096 ( -2.386 1.310 -3.188) 4.191 2.168 ( 1.233 0.112 0.817) 1.483 2.236 ( 0.816 -1.473 0.275) 1.707 2.265 ( 2.318 0.592 2.435) 3.413 2.343 ( -2.144 -0.447 2.598) 3.398 2.422 ( -0.575 -3.846 -0.954) 4.004 2.459 ( -2.159 -2.874 0.645) 3.652 2.559 ( 0.355 6.515 -0.137) 6.526 2.607 ( -2.223 -4.330 -4.050) 6.332 2.715 ( -3.550 -4.441 5.183) 7.693 2.791 ( -2.112 -0.522 -4.044) 4.592 2.853 ( 4.247 3.260 0.804) 5.414 2.948 ( 0.893 -4.884 -2.082) 5.384 3.037 ( -7.285 -0.398 2.587) 7.741 3.072 ( -7.809 -2.528 -1.513) 8.347 3.141 ( -3.672 0.055 0.115) 3.674 3.169 ( -3.004 0.465 0.441) 3.071 3.223 ( 0.234 2.226 -0.776) 2.369 3.246 ( -1.359 3.990 -2.340) 4.821 3.252 ( 0.626 -1.540 -0.513) 1.740 3.333 ( -3.109 -0.126 -1.172) 3.325 3.355 ( -0.249 -0.996 0.066) 1.029 3.392 ( -0.740 2.624 -0.445) 2.763 3.447 ( 2.362 -0.209 0.623) 2.452 3.498 ( -1.544 -2.415 -1.620) 3.292 3.522 ( -1.423 -0.270 -0.904) 1.708 3.534 ( -2.095 -1.007 4.547) 5.106 3.592 ( -0.637 0.268 -0.967) 1.188 3.599 ( 0.318 3.098 -0.480) 3.151 3.645 ( 2.735 0.526 -0.489) 2.828 3.666 ( 0.626 1.237 0.471) 1.464 3.717 ( 1.109 3.503 -0.793) 3.759 3.758 ( -0.445 2.135 -0.008) 2.181 3.792 ( 1.226 2.537 0.771) 2.921 3.826 ( -0.139 -0.599 1.229) 1.375 3.873 ( -1.544 0.612 -0.345) 1.697 3.906 ( 0.885 -0.184 -1.042) 1.379 3.941 ( 1.636 -3.475 -0.072) 3.841 3.960 ( -1.997 -0.205 -0.801) 2.161 3.989 ( 3.181 -2.161 0.134) 3.848 4.035 ( 1.032 1.139 1.142) 1.915 4.077 ( -0.067 -1.288 -0.909) 1.577 4.105 ( 0.874 2.321 -0.607) 2.554 4.132 ( 4.909 -2.757 0.961) 5.712 4.168 ( -0.873 0.661 -0.421) 1.173 4.203 ( 0.953 -0.511 -0.970) 1.453 4.267 ( 2.122 -1.531 1.008) 2.804 4.283 ( 0.912 0.205 0.208) 0.958 4.310 ( -1.237 -1.344 0.026) 1.827 4.342 ( -0.284 0.022 -0.802) 0.851 4.392 ( -0.813 0.774 1.050) 1.537 4.442 ( -2.507 1.779 0.830) 3.184 4.497 ( -1.448 1.723 -1.311) 2.604 4.526 ( -0.782 1.179 1.069) 1.773 4.593 ( 1.215 -0.140 -0.292) 1.257 4.635 ( 1.232 -3.065 1.007) 3.453 4.639 ( 0.089 -1.419 0.095) 1.425 4.702 ( -0.893 -1.134 1.640) 2.185 4.743 ( 0.025 1.091 0.593) 1.242 4.776 ( 2.074 1.152 -1.116) 2.622 4.893 ( 1.038 0.473 -1.188) 1.647 4.990 ( 0.445 -0.783 0.775) 1.188 5.081 ( 2.580 -3.068 0.409) 4.030 5.136 ( -0.849 3.907 0.447) 4.023 5.197 ( 1.839 2.160 -0.035) 2.837 5.222 ( 1.584 -0.422 -1.208) 2.037 5.312 ( 2.837 1.253 -0.776) 3.197 5.433 ( -0.607 3.017 0.687) 3.153 5.503 ( -1.311 -0.282 -0.373) 1.392 5.553 ( -2.102 -6.984 0.997) 7.362 5.642 ( -4.282 -5.231 -0.707) 6.797 5.790 ( -0.702 0.362 -0.771) 1.104 5.847 ( 0.281 -0.358 0.245) 0.516 5.861 ( -0.631 0.456 1.227) 1.453 5.915 ( 0.848 -2.418 0.183) 2.569 6.241 ( 6.054 3.906 0.974) 7.271 6.305 ( 5.286 5.639 -1.153) 7.815 6.458 ( 2.509 -1.074 0.593) 2.793 6.507 ( 2.362 -1.094 -0.384) 2.631 6.658 ( 0.299 -0.561 0.115) 0.646 6.712 ( 0.395 -1.425 -1.549) 2.141 6.733 ( -0.547 -0.228 1.819) 1.913 6.843 ( -1.563 -1.103 -0.396) 1.953 7.056 ( -2.226 0.398 -0.188) 2.269 7.117 ( -2.075 -1.271 0.612) 2.509 7.134 ( -0.487 -1.354 -0.616) 1.565 7.138 ( -2.246 -1.301 -0.010) 2.596 14.245 ( -1.478 0.412 0.230) 1.551 14.273 ( -1.121 0.044 -0.942) 1.465 14.301 ( -0.432 -0.167 0.943) 1.051 14.341 ( -0.901 -0.614 -0.281) 1.126 15.019 ( 0.620 0.620 0.421) 0.972 15.033 ( 0.321 0.702 -0.529) 0.935 15.089 ( 1.877 0.195 0.895) 2.088 15.122 ( 1.455 -0.332 -0.907) 1.746 15.324 ( 1.344 2.943 -0.066) 3.236 15.342 ( 0.441 2.245 -0.012) 2.288 15.510 ( -2.416 -1.450 0.390) 2.845 15.560 ( -2.459 -2.025 -0.542) 3.231 15.780 ( 2.700 2.076 0.037) 3.406 15.828 ( 2.462 1.912 -0.275) 3.130 15.974 ( 0.659 -1.572 0.046) 1.705 16.009 ( -0.167 -1.885 0.033) 1.893 16.154 ( -1.333 -3.042 0.408) 3.346 16.174 ( -0.772 -3.164 -0.507) 3.296 16.222 ( -0.304 -4.879 0.423) 4.907 16.251 ( -0.668 -3.810 -0.378) 3.887 17.400 ( -0.169 1.678 -0.149) 1.693 17.475 ( -1.959 1.727 1.007) 2.799 17.525 ( 0.294 -2.145 -1.696) 2.750 17.583 ( -0.371 -2.023 0.118) 2.060 17.860 ( 1.722 2.432 -0.005) 2.980 17.952 ( 1.358 0.552 -0.843) 1.691 18.031 ( 0.135 -0.708 -0.310) 0.785 18.042 ( -1.553 5.115 0.131) 5.348 18.084 ( 0.837 -2.385 -0.261) 2.541 18.201 ( -0.179 3.426 0.222) 3.438 18.352 ( -1.718 -3.872 1.222) 4.409 18.421 ( -1.395 -2.116 0.358) 2.560 18.648 ( 0.882 2.763 1.751) 3.387 18.697 ( 0.252 1.487 -2.469) 2.893 18.760 ( 0.472 1.965 1.242) 2.372 18.815 ( 1.766 3.708 0.482) 4.135 18.877 ( 1.491 1.671 0.405) 2.276 19.036 ( 0.783 -0.144 -1.244) 1.477 19.319 ( -3.519 4.196 0.711) 5.522 19.385 ( -5.624 3.025 -0.319) 6.393 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 10.763 8.157 2.892) 13.811 0.873 ( 7.627 11.701 6.017) 15.208 1.052 ( 3.306 3.937 -6.804) 8.528 1.203 ( -4.736 -0.814 -0.445) 4.826 1.240 ( -5.355 6.608 -2.565) 8.883 1.262 ( -8.373 4.836 -1.085) 9.730 1.364 ( 3.581 1.605 -2.678) 4.751 1.469 ( -0.600 0.145 2.202) 2.287 1.493 ( 0.534 -0.128 2.760) 2.814 1.550 ( -0.015 -1.825 0.691) 1.951 1.605 ( 6.524 0.670 2.125) 6.894 1.706 ( 0.179 3.191 -0.456) 3.229 1.780 ( 1.555 -1.611 -0.338) 2.265 1.859 ( 2.530 -2.906 1.354) 4.084 1.900 ( 1.640 0.182 -0.590) 1.753 1.996 ( 2.597 1.678 -1.224) 3.326 2.043 ( 1.071 2.839 2.094) 3.687 2.065 ( 2.127 0.700 -0.812) 2.382 2.181 ( -1.062 -1.230 2.498) 2.980 2.253 ( -5.646 1.096 1.840) 6.038 2.267 ( 2.747 -3.344 0.220) 4.333 2.310 ( -0.248 -3.192 -1.746) 3.647 2.414 ( -3.146 -5.609 -1.774) 6.671 2.448 ( 0.764 -2.061 2.264) 3.155 2.534 ( -1.786 -3.082 -2.166) 4.169 2.592 ( 2.045 6.385 -0.351) 6.714 2.680 ( -3.187 0.145 3.925) 5.058 2.729 ( -2.727 0.214 -4.267) 5.069 2.835 ( -6.716 -0.633 1.494) 6.909 2.871 ( -7.175 -1.829 -1.034) 7.476 2.940 ( 2.534 2.950 1.374) 4.125 3.045 ( 1.969 -1.821 -4.219) 4.999 3.080 ( -1.888 0.642 2.524) 3.217 3.141 ( -0.964 1.723 0.473) 2.030 3.218 ( -1.615 0.456 -2.870) 3.325 3.232 ( -2.859 -0.601 -1.170) 3.147 3.238 ( 0.365 3.616 -3.817) 5.270 3.276 ( 1.001 1.264 1.993) 2.563 3.359 ( 0.033 2.174 -0.322) 2.198 3.420 ( 2.158 -0.003 1.079) 2.412 3.450 ( -5.797 0.849 3.375) 6.761 3.465 ( 0.374 -0.355 -2.234) 2.293 3.479 ( -0.455 1.066 -0.078) 1.162 3.537 ( 0.869 0.027 -0.962) 1.296 3.588 ( 1.482 1.560 0.276) 2.169 3.619 ( 0.775 3.932 2.893) 4.942 3.651 ( -1.243 2.533 -0.031) 2.822 3.691 ( 1.350 3.383 -1.042) 3.789 3.724 ( -0.408 3.117 -2.303) 3.897 3.752 ( 0.886 2.364 0.189) 2.532 3.811 ( -3.824 1.561 0.639) 4.180 3.822 ( 1.133 2.064 0.169) 2.361 3.847 ( 0.824 -1.578 0.416) 1.828 3.892 ( -1.244 1.968 -0.982) 2.527 3.910 ( -2.183 -0.006 -0.098) 2.185 3.983 ( 1.160 -2.471 1.379) 3.058 4.022 ( -0.218 -1.376 0.452) 1.464 4.058 ( -0.456 -0.600 -0.950) 1.213 4.075 ( 2.974 -0.373 -0.591) 3.055 4.118 ( 1.365 2.993 -0.881) 3.405 4.160 ( 0.449 -0.684 -0.102) 0.825 4.216 ( 0.961 -4.006 1.249) 4.305 4.234 ( 0.972 -0.945 -1.710) 2.182 4.254 ( 0.485 -1.225 0.917) 1.605 4.289 ( -0.361 -2.440 0.729) 2.572 4.310 ( 0.971 1.121 -0.382) 1.532 4.364 ( 0.045 1.850 -0.457) 1.907 4.377 ( -0.295 2.431 1.264) 2.756 4.430 ( 0.774 2.736 1.554) 3.240 4.471 ( -0.320 -0.545 -1.480) 1.609 4.504 ( -1.846 1.689 0.983) 2.688 4.591 ( -1.122 0.977 -0.635) 1.617 4.630 ( -0.468 -2.351 0.277) 2.413 4.655 ( -0.241 -0.066 0.380) 0.454 4.712 ( 0.625 -0.383 1.053) 1.283 4.727 ( -0.474 1.625 -0.255) 1.712 4.846 ( 4.667 -0.399 0.280) 4.693 4.904 ( 1.516 -0.777 -1.234) 2.103 5.032 ( 2.243 -1.481 1.522) 3.089 5.107 ( 0.069 -2.276 -0.315) 2.299 5.135 ( 0.460 2.147 0.258) 2.211 5.191 ( -1.189 0.924 -1.267) 1.968 5.275 ( 4.473 -0.403 -0.702) 4.545 5.364 ( 2.439 0.480 -0.239) 2.497 5.433 ( -0.517 1.874 0.504) 2.008 5.455 ( -2.611 -2.267 0.297) 3.470 5.507 ( -3.758 -4.376 0.905) 5.839 5.571 ( -2.589 -1.658 -0.621) 3.136 5.787 ( 0.394 -1.150 -0.235) 1.238 5.848 ( -0.024 -1.050 -0.142) 1.060 5.867 ( 0.326 -0.468 0.874) 1.044 5.912 ( -1.041 -3.240 0.171) 3.407 6.366 ( 6.529 1.783 0.462) 6.784 6.413 ( 6.805 2.767 -0.562) 7.368 6.510 ( 2.489 -1.133 0.442) 2.770 6.553 ( 2.788 -1.863 -0.616) 3.409 6.663 ( 0.041 0.388 0.251) 0.464 6.691 ( -2.333 0.715 -0.059) 2.440 6.750 ( 1.713 -1.951 0.463) 2.637 6.804 ( -2.407 -0.975 -0.308) 2.615 7.024 ( -1.089 0.247 -0.322) 1.162 7.077 ( -2.288 -1.431 0.298) 2.716 7.090 ( -2.766 -0.887 0.098) 2.907 7.101 ( -2.644 -1.603 -0.355) 3.113 14.226 ( -0.743 -0.284 0.342) 0.866 14.246 ( -1.201 -0.628 -0.592) 1.479 14.296 ( -0.444 0.108 0.593) 0.748 14.321 ( -0.952 -0.438 -0.332) 1.099 15.027 ( 0.544 0.398 -0.552) 0.872 15.046 ( 0.603 -0.286 0.964) 1.172 15.120 ( 1.129 0.322 0.055) 1.175 15.143 ( 1.202 0.066 -0.667) 1.376 15.353 ( 1.883 2.781 -0.678) 3.426 15.364 ( 2.211 2.932 0.540) 3.712 15.461 ( -3.295 1.127 0.687) 3.550 15.503 ( -3.296 0.936 -0.777) 3.513 15.838 ( 3.502 -0.698 0.106) 3.572 15.882 ( 3.700 -1.143 -0.313) 3.885 15.971 ( -1.010 -2.817 -0.336) 3.011 15.999 ( -1.659 -3.011 0.414) 3.463 16.124 ( -1.107 -1.285 -0.555) 1.785 16.173 ( 0.212 -2.277 1.070) 2.525 16.215 ( -0.687 -3.425 0.175) 3.497 16.233 ( -0.864 -3.135 -0.762) 3.340 17.397 ( -0.019 1.213 -0.134) 1.221 17.458 ( -0.532 1.903 0.653) 2.081 17.511 ( -0.671 -2.618 -1.105) 2.920 17.575 ( -0.502 -2.598 0.103) 2.648 17.901 ( 2.756 2.680 0.061) 3.844 17.977 ( 1.684 0.367 -0.726) 1.871 18.006 ( -2.242 4.595 -0.468) 5.134 18.028 ( -0.548 1.118 0.083) 1.248 18.095 ( 0.550 -1.609 -0.306) 1.727 18.207 ( 0.655 1.726 0.628) 1.950 18.321 ( -2.146 -3.933 0.739) 4.541 18.393 ( -1.662 -1.700 0.066) 2.378 18.659 ( -0.577 2.666 1.225) 2.990 18.707 ( 1.571 2.963 -1.532) 3.687 18.780 ( 1.092 0.480 1.261) 1.736 18.839 ( 0.510 1.053 0.123) 1.176 18.927 ( 3.651 3.748 1.008) 5.329 19.043 ( 0.513 1.228 -1.826) 2.260 19.240 ( -4.517 4.759 0.233) 6.565 19.295 ( -4.446 3.636 0.530) 5.768 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.000 6.616 0.000) 6.616 1.015 ( 0.000 2.044 0.000) 2.044 1.076 ( -0.000 6.517 -0.000) 6.517 1.088 ( 0.000 7.247 0.000) 7.247 1.103 ( 0.000 5.709 0.000) 5.709 1.196 ( 0.000 -0.231 0.000) 0.231 1.394 ( 0.000 1.079 0.000) 1.079 1.459 ( 0.000 -4.318 0.000) 4.318 1.489 ( 0.000 -4.228 -0.000) 4.228 1.568 ( 0.000 -0.534 -0.000) 0.534 1.672 ( 0.000 -2.896 -0.000) 2.896 1.696 ( 0.000 0.554 0.000) 0.554 1.814 ( 0.000 -4.060 0.000) 4.060 1.858 ( 0.000 -0.229 0.000) 0.229 1.938 ( 0.000 3.907 -0.000) 3.907 2.016 ( 0.000 2.674 0.000) 2.674 2.075 ( -0.000 2.436 -0.000) 2.436 2.089 ( 0.000 -0.282 0.000) 0.282 2.160 ( 0.000 -3.892 0.000) 3.892 2.250 ( 0.000 -0.370 -0.000) 0.370 2.271 ( 0.000 -3.641 0.000) 3.641 2.310 ( 0.000 -4.682 -0.000) 4.682 2.333 ( 0.000 -3.718 0.000) 3.718 2.462 ( 0.000 0.257 0.000) 0.257 2.505 ( 0.000 -4.715 0.000) 4.715 2.635 ( -0.000 4.715 0.000) 4.715 2.657 ( 0.000 -3.627 0.000) 3.627 2.674 ( 0.000 7.814 -0.000) 7.814 2.783 ( -0.000 -2.069 0.000) 2.069 2.805 ( 0.000 0.849 0.000) 0.849 3.001 ( 0.000 1.255 0.000) 1.255 3.040 ( -0.000 2.356 0.000) 2.356 3.073 ( 0.000 4.160 0.000) 4.160 3.107 ( 0.000 2.434 -0.000) 2.434 3.189 ( -0.000 0.107 0.000) 0.107 3.205 ( 0.000 -0.472 -0.000) 0.472 3.240 ( 0.000 1.053 -0.000) 1.053 3.306 ( 0.000 2.255 0.000) 2.255 3.355 ( 0.000 1.607 -0.000) 1.607 3.394 ( 0.000 0.886 0.000) 0.886 3.438 ( 0.000 -0.209 0.000) 0.209 3.470 ( -0.000 -0.207 0.000) 0.207 3.472 ( 0.000 1.083 -0.000) 1.083 3.539 ( 0.000 1.085 -0.000) 1.085 3.618 ( 0.000 1.371 0.000) 1.371 3.629 ( -0.000 4.028 -0.000) 4.028 3.663 ( 0.000 1.325 0.000) 1.325 3.694 ( -0.000 7.264 -0.000) 7.264 3.701 ( 0.000 3.144 0.000) 3.144 3.749 ( 0.000 3.344 0.000) 3.344 3.763 ( 0.000 1.580 -0.000) 1.580 3.840 ( -0.000 1.915 -0.000) 1.915 3.869 ( 0.000 -0.189 0.000) 0.189 3.874 ( -0.000 1.137 -0.000) 1.137 3.884 ( 0.000 -0.223 -0.000) 0.223 3.996 ( 0.000 -1.895 0.000) 1.895 4.012 ( 0.000 -2.456 -0.000) 2.456 4.054 ( 0.000 1.315 0.000) 1.315 4.106 ( 0.000 0.045 -0.000) 0.045 4.134 ( 0.000 1.692 0.000) 1.692 4.165 ( 0.000 -1.642 0.000) 1.642 4.207 ( 0.000 -1.316 -0.000) 1.316 4.234 ( 0.000 -4.696 -0.000) 4.696 4.272 ( 0.000 2.829 0.000) 2.829 4.284 ( 0.000 -2.812 0.000) 2.812 4.322 ( 0.000 2.021 0.000) 2.021 4.355 ( 0.000 -0.659 0.000) 0.659 4.397 ( 0.000 2.149 0.000) 2.149 4.445 ( 0.000 2.320 0.000) 2.320 4.465 ( 0.000 0.897 0.000) 0.897 4.486 ( 0.000 1.591 -0.000) 1.591 4.571 ( 0.000 1.032 -0.000) 1.032 4.630 ( 0.000 -1.028 0.000) 1.028 4.650 ( 0.000 0.344 0.000) 0.344 4.710 ( 0.000 -2.132 -0.000) 2.132 4.734 ( 0.000 3.337 0.000) 3.337 4.886 ( 0.000 -1.124 0.000) 1.124 4.937 ( 0.000 -2.464 0.000) 2.464 5.056 ( 0.000 -2.160 0.000) 2.160 5.088 ( -0.000 -2.368 -0.000) 2.368 5.145 ( 0.000 0.936 0.000) 0.936 5.179 ( 0.000 1.007 -0.000) 1.007 5.340 ( 0.000 2.142 0.000) 2.142 5.371 ( 0.000 0.491 0.000) 0.491 5.408 ( 0.000 -1.268 0.000) 1.268 5.433 ( 0.000 -3.187 0.000) 3.187 5.485 ( 0.000 -0.860 0.000) 0.860 5.542 ( 0.000 -1.127 0.000) 1.127 5.792 ( 0.000 -1.841 0.000) 1.841 5.847 ( 0.000 -1.240 -0.000) 1.240 5.876 ( 0.000 -1.268 0.000) 1.268 5.897 ( 0.000 -3.390 0.000) 3.390 6.433 ( 0.000 1.101 0.000) 1.101 6.493 ( 0.000 0.312 0.000) 0.312 6.532 ( 0.000 -0.868 -0.000) 0.868 6.578 ( 0.000 -2.483 -0.000) 2.483 6.656 ( 0.000 1.072 0.000) 1.072 6.666 ( 0.000 1.723 0.000) 1.723 6.767 ( 0.000 -2.449 0.000) 2.449 6.781 ( 0.000 -0.927 0.000) 0.927 7.016 ( 0.000 -0.188 0.000) 0.188 7.054 ( 0.000 -1.109 0.000) 1.109 7.065 ( -0.000 -1.184 -0.000) 1.184 7.065 ( 0.000 -0.805 0.000) 0.805 14.221 ( 0.000 -0.658 0.000) 0.658 14.233 ( 0.000 -0.859 -0.000) 0.859 14.294 ( 0.000 0.153 0.000) 0.153 14.311 ( 0.000 -0.325 0.000) 0.325 15.031 ( 0.000 0.296 0.000) 0.296 15.055 ( 0.000 -0.891 0.000) 0.891 15.129 ( 0.000 0.791 0.000) 0.791 15.152 ( 0.000 -0.029 -0.000) 0.029 15.378 ( -0.000 2.457 0.000) 2.457 15.407 ( -0.000 3.000 0.000) 3.000 15.415 ( 0.000 2.187 -0.000) 2.187 15.458 ( 0.000 2.491 0.000) 2.491 15.880 ( 0.000 -1.596 0.000) 1.596 15.946 ( -0.000 -2.092 -0.000) 2.092 15.948 ( 0.000 -3.330 0.000) 3.330 15.955 ( 0.000 -4.235 -0.000) 4.235 16.115 ( 0.000 -0.014 0.000) 0.014 16.186 ( 0.000 -1.737 0.000) 1.737 16.202 ( 0.000 -3.064 0.000) 3.064 16.222 ( 0.000 -2.721 0.000) 2.721 17.397 ( 0.000 0.968 0.000) 0.968 17.457 ( 0.000 1.862 0.000) 1.862 17.500 ( 0.000 -2.883 0.000) 2.883 17.570 ( 0.000 -2.845 0.000) 2.845 17.943 ( -0.000 1.838 0.000) 1.838 17.967 ( 0.000 5.146 -0.000) 5.146 17.995 ( 0.000 -0.217 0.000) 0.217 18.019 ( 0.000 2.509 0.000) 2.509 18.099 ( 0.000 -1.086 0.000) 1.086 18.219 ( 0.000 0.918 0.000) 0.918 18.299 ( 0.000 -3.856 0.000) 3.856 18.376 ( 0.000 -1.446 0.000) 1.446 18.656 ( 0.000 2.574 0.000) 2.574 18.717 ( 0.000 3.333 -0.000) 3.333 18.799 ( 0.000 -0.834 0.000) 0.834 18.841 ( 0.000 1.075 0.000) 1.075 18.987 ( 0.000 4.545 0.000) 4.545 19.022 ( -0.000 2.829 -0.000) 2.829 19.204 ( 0.000 3.566 0.000) 3.566 19.247 ( 0.000 3.581 0.000) 3.581 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 13.580 0.000) 13.580 1.093 ( 0.000 15.410 0.000) 15.410 1.150 ( 0.000 -9.878 0.000) 9.878 1.323 ( 0.000 7.331 0.000) 7.331 1.339 ( 0.000 -7.968 0.000) 7.968 1.431 ( 0.000 -0.160 0.000) 0.160 1.469 ( 0.000 6.417 0.000) 6.417 1.481 ( 0.000 6.060 0.000) 6.060 1.560 ( 0.000 5.622 0.000) 5.622 1.603 ( 0.000 2.818 0.000) 2.818 1.621 ( 0.000 1.283 0.000) 1.283 1.626 ( 0.000 -1.466 0.000) 1.466 1.742 ( 0.000 -0.645 0.000) 0.645 1.755 ( 0.000 -2.640 0.000) 2.640 1.887 ( 0.000 5.418 0.000) 5.418 1.903 ( 0.000 0.110 0.000) 0.110 2.080 ( 0.000 -3.368 0.000) 3.368 2.090 ( 0.000 -1.878 0.000) 1.878 2.160 ( 0.000 2.407 0.000) 2.407 2.205 ( 0.000 -2.611 0.000) 2.611 2.216 ( 0.000 -0.043 0.000) 0.043 2.300 ( 0.000 -4.630 0.000) 4.630 2.418 ( 0.000 3.703 0.000) 3.703 2.489 ( 0.000 -4.593 0.000) 4.593 2.565 ( 0.000 4.542 0.000) 4.542 2.641 ( 0.000 3.337 0.000) 3.337 2.704 ( 0.000 -1.869 0.000) 1.869 2.716 ( 0.000 -7.694 0.000) 7.694 2.847 ( 0.000 4.782 0.000) 4.782 2.977 ( 0.000 -1.787 0.000) 1.787 3.024 ( 0.000 1.719 0.000) 1.719 3.110 ( 0.000 -1.852 0.000) 1.852 3.183 ( 0.000 -0.581 0.000) 0.581 3.184 ( 0.000 -1.461 0.000) 1.461 3.274 ( 0.000 0.719 0.000) 0.719 3.281 ( 0.000 1.010 0.000) 1.010 3.314 ( 0.000 2.287 0.000) 2.287 3.350 ( 0.000 -1.595 0.000) 1.595 3.388 ( 0.000 -0.337 0.000) 0.337 3.390 ( 0.000 -1.305 0.000) 1.305 3.410 ( 0.000 -2.058 0.000) 2.058 3.452 ( 0.000 -4.535 0.000) 4.535 3.491 ( 0.000 1.123 0.000) 1.123 3.497 ( 0.000 -0.737 0.000) 0.737 3.545 ( 0.000 2.277 0.000) 2.277 3.589 ( 0.000 -1.275 0.000) 1.275 3.678 ( 0.000 4.271 0.000) 4.271 3.751 ( 0.000 4.743 0.000) 4.743 3.758 ( 0.000 -2.116 0.000) 2.116 3.820 ( 0.000 1.078 0.000) 1.078 3.825 ( 0.000 -2.855 0.000) 2.855 3.839 ( 0.000 4.263 0.000) 4.263 3.852 ( 0.000 -3.999 0.000) 3.999 3.860 ( 0.000 5.424 0.000) 5.424 3.916 ( 0.000 -2.643 0.000) 2.643 3.963 ( 0.000 -3.602 0.000) 3.602 3.967 ( 0.000 7.723 0.000) 7.723 4.023 ( 0.000 1.333 0.000) 1.333 4.038 ( 0.000 -2.159 0.000) 2.159 4.093 ( 0.000 2.940 0.000) 2.940 4.124 ( 0.000 -2.438 0.000) 2.438 4.164 ( 0.000 -1.294 0.000) 1.294 4.181 ( 0.000 -5.153 0.000) 5.153 4.187 ( 0.000 -1.755 0.000) 1.755 4.270 ( 0.000 2.154 0.000) 2.154 4.300 ( 0.000 -0.680 0.000) 0.680 4.366 ( 0.000 1.051 0.000) 1.051 4.391 ( 0.000 -1.064 0.000) 1.064 4.463 ( 0.000 -0.148 0.000) 0.148 4.499 ( 0.000 -2.850 0.000) 2.850 4.538 ( 0.000 -0.597 0.000) 0.597 4.555 ( 0.000 -2.274 0.000) 2.274 4.585 ( 0.000 3.111 0.000) 3.111 4.635 ( 0.000 -1.068 0.000) 1.068 4.707 ( 0.000 2.703 0.000) 2.703 4.743 ( 0.000 0.694 0.000) 0.694 4.799 ( 0.000 1.048 0.000) 1.048 4.859 ( 0.000 -3.799 0.000) 3.799 4.990 ( 0.000 0.288 0.000) 0.288 5.002 ( 0.000 -0.614 0.000) 0.614 5.224 ( 0.000 5.214 0.000) 5.214 5.262 ( 0.000 1.957 0.000) 1.957 5.271 ( 0.000 3.446 0.000) 3.446 5.328 ( 0.000 4.905 0.000) 4.905 5.385 ( 0.000 -8.904 0.000) 8.904 5.461 ( 0.000 -3.932 0.000) 3.932 5.527 ( 0.000 0.440 0.000) 0.440 5.547 ( 0.000 -3.806 0.000) 3.806 5.833 ( 0.000 0.840 0.000) 0.840 5.844 ( 0.000 -0.066 0.000) 0.066 5.867 ( 0.000 0.377 0.000) 0.377 5.881 ( 0.000 -0.696 0.000) 0.696 6.292 ( 0.000 5.653 0.000) 5.653 6.383 ( 0.000 4.978 0.000) 4.978 6.390 ( 0.000 -3.625 0.000) 3.625 6.453 ( 0.000 -2.247 0.000) 2.247 6.645 ( 0.000 0.132 0.000) 0.132 6.666 ( 0.000 -1.897 0.000) 1.897 6.760 ( 0.000 2.175 0.000) 2.175 6.814 ( 0.000 -2.847 0.000) 2.847 7.090 ( 0.000 0.788 0.000) 0.788 7.112 ( 0.000 -1.145 0.000) 1.145 7.131 ( 0.000 -0.084 0.000) 0.084 7.135 ( 0.000 -0.603 0.000) 0.603 14.275 ( 0.000 0.605 0.000) 0.605 14.286 ( 0.000 -0.589 0.000) 0.589 14.309 ( 0.000 1.189 0.000) 1.189 14.333 ( 0.000 -1.067 0.000) 1.067 15.031 ( 0.000 1.121 0.000) 1.121 15.052 ( 0.000 -0.862 0.000) 0.862 15.064 ( 0.000 1.403 0.000) 1.403 15.092 ( 0.000 -1.265 0.000) 1.265 15.389 ( 0.000 4.634 0.000) 4.634 15.393 ( 0.000 3.195 0.000) 3.195 15.461 ( 0.000 -3.606 0.000) 3.606 15.491 ( 0.000 -5.113 0.000) 5.113 15.851 ( 0.000 5.080 0.000) 5.080 15.892 ( 0.000 4.275 0.000) 4.275 15.933 ( 0.000 -2.527 0.000) 2.527 15.967 ( 0.000 -2.975 0.000) 2.975 16.109 ( 0.000 -1.624 0.000) 1.624 16.119 ( 0.000 -3.136 0.000) 3.136 16.148 ( 0.000 -0.485 0.000) 0.485 16.178 ( 0.000 -3.275 0.000) 3.275 17.440 ( 0.000 1.820 0.000) 1.820 17.478 ( 0.000 -1.987 0.000) 1.987 17.525 ( 0.000 1.132 0.000) 1.132 17.552 ( 0.000 -1.552 0.000) 1.552 17.910 ( 0.000 3.916 0.000) 3.916 17.969 ( 0.000 1.963 0.000) 1.963 17.986 ( 0.000 -3.103 0.000) 3.103 18.016 ( 0.000 -2.815 0.000) 2.815 18.169 ( 0.000 5.607 0.000) 5.607 18.276 ( 0.000 -4.932 0.000) 4.932 18.291 ( 0.000 4.341 0.000) 4.341 18.373 ( 0.000 -3.647 0.000) 3.647 18.679 ( 0.000 1.886 0.000) 1.886 18.703 ( 0.000 -0.557 0.000) 0.557 18.804 ( 0.000 2.762 0.000) 2.762 18.851 ( 0.000 -1.617 0.000) 1.617 18.917 ( 0.000 5.335 0.000) 5.335 19.001 ( 0.000 -2.850 0.000) 2.850 19.418 ( 0.000 2.704 0.000) 2.704 19.451 ( 0.000 -0.656 0.000) 0.656 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.827 12.106 1.099) 12.184 1.047 ( -1.661 10.689 1.748) 10.958 1.161 ( -0.379 -4.740 -0.421) 4.774 1.249 ( -5.193 7.228 -2.965) 9.381 1.312 ( -2.231 -5.750 0.743) 6.212 1.385 ( -2.333 -1.181 0.315) 2.634 1.458 ( -2.176 1.224 -3.047) 3.939 1.525 ( -2.965 -0.448 -2.563) 3.944 1.543 ( -3.780 1.867 0.569) 4.255 1.560 ( 2.798 4.722 -0.849) 5.554 1.596 ( -0.651 4.755 1.714) 5.097 1.691 ( 3.209 -1.544 5.565) 6.607 1.766 ( 0.025 1.445 -0.498) 1.528 1.813 ( 3.758 0.964 2.614) 4.678 1.848 ( -0.544 1.750 -0.874) 2.030 1.931 ( 2.545 -3.474 -2.558) 5.009 2.072 ( 2.131 2.256 -0.437) 3.134 2.110 ( -1.025 2.318 2.540) 3.588 2.187 ( 1.815 -2.009 -0.034) 2.708 2.213 ( 0.769 0.426 -0.711) 1.131 2.226 ( 1.733 -2.045 1.757) 3.205 2.317 ( -1.218 -3.303 3.689) 5.099 2.374 ( -3.176 0.652 0.334) 3.260 2.420 ( -5.763 -1.963 -0.086) 6.089 2.530 ( -2.170 0.729 -2.317) 3.257 2.628 ( -5.040 -3.710 0.283) 6.264 2.712 ( 1.891 3.045 -0.118) 3.586 2.743 ( 4.361 0.332 -3.198) 5.418 2.857 ( 0.893 -1.424 -1.242) 2.090 2.927 ( -6.875 -6.666 0.701) 9.602 3.024 ( 0.574 7.204 1.579) 7.397 3.068 ( -3.798 0.890 -2.420) 4.590 3.131 ( -3.231 -0.769 -2.287) 4.032 3.169 ( -1.973 -1.980 1.870) 3.363 3.227 ( -2.269 0.521 0.832) 2.472 3.258 ( -3.511 -1.847 0.459) 3.993 3.297 ( -0.104 3.590 0.074) 3.592 3.348 ( 0.635 1.637 -0.535) 1.836 3.352 ( 0.193 0.109 -0.305) 0.377 3.413 ( 0.260 -2.269 0.864) 2.442 3.446 ( 0.621 0.337 -2.637) 2.730 3.461 ( 2.933 -0.896 -3.449) 4.615 3.487 ( 1.238 -0.976 2.053) 2.588 3.515 ( -0.396 -2.319 1.333) 2.704 3.610 ( 4.005 3.002 1.410) 5.200 3.635 ( 2.554 0.123 -0.026) 2.557 3.684 ( 1.666 3.559 -1.548) 4.224 3.729 ( 0.361 3.620 -1.886) 4.098 3.779 ( -0.100 0.508 1.576) 1.659 3.805 ( -0.282 -0.388 -0.487) 0.684 3.820 ( -0.222 -0.575 0.287) 0.680 3.835 ( -1.394 0.409 -0.214) 1.469 3.858 ( -0.288 -0.475 0.840) 1.007 3.881 ( 2.612 -0.056 0.776) 2.725 3.945 ( -0.696 2.417 -0.162) 2.520 3.949 ( 2.239 -0.324 0.155) 2.268 3.964 ( -0.839 0.626 -0.806) 1.321 4.025 ( -0.561 -1.705 -1.041) 2.075 4.048 ( 1.861 -0.261 -0.242) 1.895 4.104 ( 0.841 1.065 0.328) 1.396 4.126 ( 0.801 -2.316 -0.555) 2.512 4.173 ( 0.557 -1.103 0.299) 1.271 4.189 ( 3.168 0.542 -0.215) 3.221 4.240 ( 3.347 -3.346 1.107) 4.861 4.265 ( -0.373 0.342 0.314) 0.596 4.283 ( -2.273 -0.802 -0.586) 2.481 4.359 ( -0.017 1.888 -0.400) 1.930 4.389 ( 0.647 -0.837 0.105) 1.063 4.476 ( 0.716 2.222 0.975) 2.530 4.518 ( -0.079 -0.746 0.253) 0.792 4.538 ( -1.859 -0.967 1.630) 2.654 4.553 ( 3.330 -3.408 -0.139) 4.767 4.599 ( 0.493 1.593 0.125) 1.672 4.628 ( -1.189 -0.125 -0.158) 1.206 4.707 ( -0.223 2.419 1.070) 2.654 4.755 ( -0.020 -1.091 -0.295) 1.130 4.814 ( 2.686 2.579 -0.235) 3.731 4.875 ( 1.506 -2.889 -0.376) 3.280 4.993 ( 0.787 0.792 -0.115) 1.123 5.020 ( 1.852 -2.044 -0.100) 2.761 5.217 ( -1.432 3.901 -0.371) 4.172 5.234 ( -1.348 1.906 -0.400) 2.369 5.261 ( -0.938 2.766 0.483) 2.960 5.352 ( 1.945 2.610 -0.690) 3.328 5.377 ( -0.731 -6.728 1.275) 6.886 5.454 ( -0.769 -3.170 0.377) 3.284 5.517 ( -1.431 0.252 0.014) 1.453 5.538 ( -0.571 -3.006 -0.928) 3.198 5.810 ( -1.268 1.384 -1.371) 2.325 5.836 ( -0.560 -0.960 -0.944) 1.458 5.866 ( -1.080 0.229 1.885) 2.185 5.878 ( -0.978 -1.191 1.044) 1.861 6.330 ( 3.854 4.638 0.548) 6.055 6.400 ( 2.773 0.880 -1.166) 3.134 6.427 ( 3.065 0.280 0.901) 3.207 6.477 ( 2.499 -2.000 -0.377) 3.223 6.654 ( 0.942 0.292 -0.008) 0.986 6.674 ( 1.110 -1.698 -0.375) 2.063 6.755 ( -0.852 2.039 0.590) 2.287 6.804 ( -1.088 -2.542 -0.162) 2.770 7.068 ( -2.116 0.840 -0.112) 2.279 7.090 ( -2.320 -1.310 0.140) 2.668 7.116 ( -1.617 -0.329 -0.280) 1.673 7.119 ( -1.801 -0.537 0.188) 1.889 14.256 ( -1.841 0.594 0.125) 1.939 14.267 ( -1.771 -0.525 -0.264) 1.866 14.308 ( -0.341 0.760 0.261) 0.873 14.325 ( -0.695 -0.883 -0.148) 1.133 15.032 ( -0.000 0.632 0.326) 0.711 15.040 ( -0.302 -0.059 -0.052) 0.312 15.095 ( 2.190 0.538 0.178) 2.262 15.110 ( 1.924 -0.796 -0.539) 2.151 15.396 ( 0.656 3.177 -0.410) 3.270 15.402 ( 1.293 4.206 -0.056) 4.401 15.463 ( 0.113 -2.862 0.307) 2.880 15.495 ( 0.361 -4.153 0.100) 4.170 15.848 ( -0.277 4.238 0.224) 4.253 15.883 ( -0.477 3.069 -0.963) 3.252 15.932 ( -0.565 -2.674 0.332) 2.753 15.958 ( -0.954 -3.298 -0.109) 3.435 16.110 ( -0.098 -0.892 0.640) 1.102 16.122 ( 0.507 -1.832 0.159) 1.908 16.155 ( 0.659 -1.148 -0.162) 1.334 16.178 ( 0.016 -2.963 -0.334) 2.982 17.434 ( -0.520 1.728 -0.180) 1.814 17.471 ( -0.787 -1.835 0.273) 2.016 17.515 ( -0.863 1.118 -0.497) 1.498 17.544 ( -0.817 -1.724 0.082) 1.909 17.927 ( 1.835 3.913 -0.023) 4.322 17.977 ( 1.183 1.687 -0.885) 2.242 18.001 ( 1.218 -2.522 0.792) 2.911 18.023 ( 0.882 -2.942 -0.613) 3.132 18.153 ( -1.761 5.607 0.156) 5.880 18.261 ( -1.602 -4.810 0.198) 5.073 18.283 ( -1.021 4.019 0.395) 4.166 18.363 ( -1.062 -3.564 -0.037) 3.720 18.697 ( 1.132 1.806 1.483) 2.597 18.716 ( 1.059 0.036 0.851) 1.359 18.801 ( -0.047 2.347 -0.813) 2.485 18.841 ( -0.283 -1.091 -1.086) 1.565 18.943 ( 2.514 4.266 0.377) 4.966 19.012 ( 1.572 -2.327 -0.666) 2.886 19.389 ( -3.321 2.504 0.371) 4.175 19.414 ( -3.848 0.014 -0.017) 3.848 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 4.157 8.114 1.760) 9.286 1.078 ( 1.630 2.530 3.101) 4.322 1.150 ( -0.023 4.396 -0.494) 4.424 1.165 ( -1.574 4.128 -1.605) 4.700 1.267 ( -4.122 -2.944 -1.753) 5.360 1.322 ( -5.364 -5.907 0.358) 7.987 1.408 ( -1.010 4.576 -1.928) 5.067 1.451 ( -1.967 -1.704 1.891) 3.217 1.484 ( -2.333 4.027 -1.649) 4.937 1.563 ( 1.003 0.592 -1.560) 1.947 1.620 ( -1.949 -0.196 -0.218) 1.971 1.676 ( -3.110 -4.148 0.754) 5.239 1.801 ( 0.189 1.519 0.626) 1.654 1.814 ( 0.425 -0.139 2.556) 2.595 1.922 ( 5.581 2.307 -0.035) 6.040 2.003 ( 5.476 -4.421 -2.094) 7.343 2.076 ( -1.272 3.708 0.408) 3.941 2.127 ( 0.711 2.333 1.373) 2.799 2.173 ( -3.164 -1.142 1.774) 3.802 2.207 ( -2.163 -0.393 -0.539) 2.264 2.260 ( -4.252 1.307 1.220) 4.612 2.274 ( -0.396 -1.460 2.182) 2.655 2.332 ( -2.479 -1.928 -0.559) 3.190 2.376 ( 1.530 -4.729 1.813) 5.291 2.484 ( -0.833 0.674 -1.812) 2.105 2.560 ( -2.043 -5.380 0.857) 5.819 2.744 ( 1.566 4.242 -0.220) 4.527 2.774 ( -0.154 1.832 -1.980) 2.702 2.807 ( -5.424 -1.579 0.945) 5.727 2.832 ( -1.628 -1.912 -2.327) 3.423 3.026 ( 1.399 0.976 -3.135) 3.569 3.034 ( 0.132 2.023 0.602) 2.114 3.105 ( 0.108 1.341 -1.318) 1.883 3.133 ( -1.220 -1.452 0.551) 1.975 3.210 ( -0.612 0.870 0.703) 1.275 3.231 ( -0.673 -0.204 0.814) 1.076 3.306 ( 0.282 3.420 0.193) 3.437 3.345 ( 0.376 3.646 0.945) 3.785 3.383 ( 1.350 -2.837 0.468) 3.177 3.394 ( -1.816 -0.949 1.489) 2.533 3.444 ( -0.871 1.387 -2.996) 3.414 3.473 ( 2.507 0.979 -3.438) 4.366 3.522 ( 0.218 -0.300 0.256) 0.450 3.527 ( 1.382 -1.722 0.119) 2.211 3.614 ( -0.492 3.662 -0.788) 3.778 3.669 ( -0.289 -0.228 1.267) 1.319 3.711 ( 1.599 2.660 -0.085) 3.105 3.743 ( 0.639 3.515 -0.319) 3.587 3.783 ( -0.363 -0.929 1.026) 1.431 3.803 ( -1.444 -0.893 0.271) 1.720 3.816 ( 1.839 2.963 -1.258) 3.707 3.836 ( 1.065 2.035 1.255) 2.617 3.859 ( 0.628 -1.640 0.295) 1.780 3.911 ( -0.353 -2.143 0.277) 2.189 3.923 ( -0.705 1.646 -0.493) 1.857 3.952 ( -0.012 3.028 0.679) 3.103 3.977 ( -1.136 -2.358 -0.191) 2.624 4.014 ( 1.927 -2.310 -1.005) 3.171 4.081 ( 1.784 -0.179 -0.089) 1.795 4.115 ( 0.752 -3.206 -0.310) 3.307 4.150 ( 0.814 1.307 0.395) 1.590 4.190 ( 0.670 -0.591 -0.209) 0.917 4.203 ( -3.532 0.687 -0.995) 3.733 4.230 ( -0.890 -1.866 0.373) 2.101 4.284 ( 4.671 2.487 0.831) 5.356 4.337 ( 4.863 -1.528 -0.101) 5.099 4.376 ( 1.558 1.332 -0.007) 2.050 4.408 ( 0.942 -0.891 0.305) 1.333 4.482 ( -1.791 1.963 0.112) 2.660 4.500 ( -1.236 4.205 1.828) 4.749 4.519 ( -0.743 -1.153 0.067) 1.373 4.591 ( -1.457 -1.830 0.069) 2.340 4.594 ( -0.511 0.550 -0.856) 1.138 4.613 ( 1.184 -2.802 -0.320) 3.059 4.716 ( 0.097 1.888 2.170) 2.878 4.754 ( 0.745 -0.833 1.320) 1.729 4.859 ( 2.088 1.411 -1.713) 3.047 4.889 ( 0.703 -1.150 -1.991) 2.405 5.020 ( 1.615 0.377 0.738) 1.815 5.049 ( 0.826 -2.526 0.312) 2.676 5.180 ( -1.920 1.844 -0.031) 2.662 5.199 ( -1.906 -0.247 -1.039) 2.185 5.289 ( 3.632 2.502 0.930) 4.507 5.366 ( 0.701 -3.899 0.428) 3.985 5.398 ( 1.658 1.014 0.294) 1.966 5.442 ( -0.808 -1.990 -0.040) 2.148 5.477 ( -2.812 1.604 0.334) 3.254 5.519 ( -1.116 -2.827 -1.041) 3.213 5.787 ( -0.775 1.170 -0.432) 1.468 5.823 ( -0.392 -1.765 -0.423) 1.857 5.850 ( -1.344 -0.749 0.743) 1.708 5.857 ( -1.660 -1.546 0.693) 2.372 6.414 ( 4.663 2.779 0.435) 5.446 6.460 ( 4.080 -0.169 -0.757) 4.153 6.487 ( 2.613 0.393 0.742) 2.745 6.519 ( 2.004 -1.597 -0.422) 2.597 6.674 ( 1.146 0.865 -0.031) 1.436 6.697 ( 1.498 -1.060 -0.741) 1.979 6.737 ( -1.468 1.455 1.016) 2.303 6.776 ( -1.798 -1.851 -0.217) 2.589 7.029 ( -1.772 0.448 -0.243) 1.844 7.047 ( -2.191 -1.301 0.011) 2.549 7.077 ( -2.399 -0.297 0.049) 2.418 7.079 ( -2.486 -0.557 0.088) 2.549 14.226 ( -1.369 0.221 0.144) 1.395 14.234 ( -1.578 -0.548 -0.168) 1.679 14.301 ( -0.450 0.380 0.185) 0.618 14.311 ( -0.718 -0.539 -0.156) 0.911 15.034 ( 0.198 0.304 -0.096) 0.376 15.040 ( 0.034 -0.292 0.381) 0.481 15.129 ( 1.464 0.530 -0.038) 1.558 15.139 ( 1.363 -0.387 -0.402) 1.473 15.411 ( 1.294 2.770 -0.380) 3.081 15.430 ( 1.782 2.777 -0.268) 3.310 15.465 ( -0.227 -0.349 0.676) 0.794 15.498 ( -0.186 -1.659 -0.029) 1.670 15.849 ( 0.322 1.788 0.254) 1.834 15.874 ( 0.239 0.358 -0.798) 0.907 15.914 ( -1.290 -2.359 -0.034) 2.689 15.932 ( -1.836 -3.181 0.002) 3.673 16.117 ( 0.424 0.527 0.332) 0.754 16.136 ( 0.721 -1.325 0.835) 1.724 16.164 ( 0.275 -1.313 -0.203) 1.357 16.174 ( -0.048 -2.244 -0.621) 2.329 17.424 ( -0.443 1.462 -0.167) 1.537 17.458 ( -0.732 -1.874 0.219) 2.024 17.497 ( -0.753 1.305 -0.398) 1.559 17.529 ( -0.790 -1.929 0.086) 2.086 17.967 ( 2.506 3.714 -0.229) 4.486 17.996 ( 1.155 1.452 -0.166) 1.863 18.024 ( 0.777 -1.018 -0.123) 1.286 18.042 ( 1.622 -3.437 -0.518) 3.836 18.116 ( -2.286 5.664 0.296) 6.116 18.227 ( -2.231 -5.236 0.614) 5.724 18.268 ( -0.685 3.729 0.173) 3.795 18.341 ( -1.208 -3.292 -0.031) 3.507 18.714 ( 0.092 2.484 0.668) 2.574 18.747 ( 1.475 -0.311 1.108) 1.871 18.794 ( -0.240 2.148 -0.552) 2.230 18.837 ( 0.166 -1.358 -0.400) 1.426 19.003 ( 3.902 3.306 0.078) 5.115 19.047 ( 2.587 -0.958 -1.039) 2.947 19.315 ( -4.661 2.530 0.304) 5.312 19.337 ( -4.517 0.454 0.287) 4.549 ======================= Grid point 24 (16/56) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 2.958 0.000) 2.958 1.090 ( 0.000 2.509 0.000) 2.509 1.145 ( -0.000 0.165 0.000) 0.165 1.153 ( 0.000 -3.168 -0.000) 3.168 1.199 ( 0.000 5.506 -0.000) 5.506 1.263 ( 0.000 2.491 0.000) 2.491 1.399 ( 0.000 3.359 0.000) 3.359 1.452 ( -0.000 0.106 0.001) 0.106 1.452 ( 0.000 3.619 -0.001) 3.619 1.585 ( -0.000 1.306 0.000) 1.306 1.586 ( 0.000 -5.756 -0.000) 5.756 1.634 ( -0.000 -5.918 0.000) 5.918 1.795 ( 0.000 1.677 0.000) 1.677 1.835 ( 0.000 -2.212 0.000) 2.212 2.002 ( 0.000 3.495 -0.000) 3.495 2.043 ( -0.000 1.143 0.000) 1.143 2.086 ( -0.000 -2.291 0.000) 2.291 2.087 ( 0.000 -3.355 -0.000) 3.355 2.121 ( 0.000 1.273 0.000) 1.273 2.175 ( 0.000 -4.692 -0.000) 4.692 2.254 ( -0.000 1.593 0.000) 1.593 2.258 ( 0.000 4.647 -0.000) 4.647 2.317 ( 0.000 -2.306 0.000) 2.306 2.398 ( 0.000 -6.035 -0.000) 6.035 2.477 ( 0.000 2.449 0.000) 2.449 2.552 ( 0.000 -4.395 0.000) 4.395 2.753 ( 0.000 1.048 -0.000) 1.048 2.755 ( 0.000 3.606 0.000) 3.606 2.764 ( -0.000 0.784 0.000) 0.784 2.816 ( 0.000 -0.774 0.000) 0.774 3.031 ( 0.000 1.458 0.000) 1.458 3.052 ( 0.000 -1.021 -0.000) 1.021 3.088 ( 0.000 1.969 0.000) 1.969 3.139 ( 0.000 -3.122 -0.000) 3.122 3.204 ( 0.000 1.930 0.000) 1.930 3.231 ( 0.000 0.766 -0.000) 0.766 3.303 ( 0.000 4.795 0.000) 4.795 3.365 ( 0.000 2.320 -0.000) 2.320 3.372 ( 0.000 -2.223 0.000) 2.223 3.393 ( 0.000 1.607 0.000) 1.607 3.428 ( 0.000 1.683 -0.000) 1.683 3.494 ( 0.000 2.169 -0.000) 2.169 3.512 ( 0.000 0.051 0.000) 0.051 3.535 ( 0.000 -2.281 0.000) 2.281 3.617 ( 0.000 1.370 0.000) 1.370 3.661 ( 0.000 -0.997 -0.000) 0.997 3.734 ( 0.000 2.413 -0.000) 2.413 3.745 ( 0.000 3.677 0.000) 3.677 3.779 ( 0.000 -0.892 0.000) 0.892 3.786 ( 0.000 1.220 -0.000) 1.220 3.824 ( -0.000 3.472 0.000) 3.472 3.857 ( 0.000 -0.671 0.000) 0.671 3.882 ( -0.000 -0.608 -0.000) 0.608 3.894 ( 0.000 2.460 -0.000) 2.460 3.929 ( -0.000 1.418 0.000) 1.418 3.937 ( 0.000 -3.830 0.000) 3.830 3.964 ( 0.000 1.630 -0.000) 1.630 4.038 ( -0.000 -2.541 0.000) 2.541 4.107 ( 0.000 -0.441 -0.000) 0.441 4.123 ( 0.000 -2.069 0.000) 2.069 4.151 ( 0.000 -0.587 0.000) 0.587 4.155 ( -0.000 -1.180 -0.000) 1.180 4.194 ( 0.000 1.306 -0.000) 1.306 4.224 ( 0.000 -2.067 0.000) 2.067 4.373 ( -0.167 2.256 -0.886) 2.430 4.374 ( 0.167 2.533 0.886) 2.689 4.386 ( -0.000 5.043 -0.000) 5.043 4.406 ( 0.000 -0.468 0.000) 0.468 4.455 ( 0.000 -0.563 -0.000) 0.563 4.495 ( 0.000 -2.264 0.000) 2.264 4.512 ( 0.000 2.871 -0.000) 2.871 4.573 ( 0.000 -0.622 0.000) 0.622 4.594 ( 0.000 -1.102 -0.000) 1.102 4.608 ( -0.000 -3.840 0.000) 3.840 4.724 ( 0.000 3.511 -0.000) 3.511 4.779 ( 0.000 -0.416 0.000) 0.416 4.866 ( 0.000 -0.176 -0.000) 0.176 4.890 ( 0.000 -2.110 0.000) 2.110 5.037 ( 0.000 0.230 0.000) 0.230 5.053 ( 0.000 -1.208 -0.000) 1.208 5.162 ( 0.000 0.737 -0.000) 0.737 5.177 ( 0.000 -0.810 0.000) 0.810 5.363 ( -0.000 -0.283 0.000) 0.283 5.378 ( 0.000 -1.402 0.000) 1.402 5.395 ( 0.000 3.090 0.000) 3.090 5.419 ( 0.000 0.799 -0.000) 0.799 5.467 ( 0.000 -0.735 -0.000) 0.735 5.494 ( 0.000 -3.253 0.000) 3.253 5.779 ( 0.000 0.781 0.000) 0.781 5.818 ( 0.000 -2.364 -0.000) 2.364 5.836 ( 0.000 -1.240 0.000) 1.240 5.844 ( 0.000 -1.433 0.000) 1.433 6.465 ( 0.000 2.044 0.000) 2.044 6.508 ( -0.000 -1.854 0.000) 1.854 6.509 ( 0.000 1.054 -0.000) 1.054 6.533 ( 0.000 -1.579 0.000) 1.579 6.682 ( 0.000 1.512 0.000) 1.512 6.715 ( 0.000 2.672 -0.000) 2.672 6.718 ( -0.000 -2.148 0.000) 2.148 6.759 ( 0.000 -1.566 0.000) 1.566 7.012 ( 0.000 0.107 0.000) 0.107 7.026 ( 0.000 -1.268 0.000) 1.268 7.052 ( -0.000 -0.237 -0.000) 0.237 7.053 ( 0.000 -0.352 0.000) 0.352 14.214 ( 0.000 -0.073 0.000) 0.073 14.218 ( -0.000 -0.511 -0.000) 0.511 14.297 ( 0.000 0.229 0.000) 0.229 14.303 ( 0.000 -0.357 -0.000) 0.357 15.036 ( 0.000 0.216 0.000) 0.216 15.042 ( 0.000 -0.411 -0.000) 0.411 15.143 ( 0.000 0.492 0.000) 0.492 15.149 ( 0.000 -0.216 -0.000) 0.216 15.427 ( 0.000 2.063 0.000) 2.063 15.445 ( 0.000 0.415 0.000) 0.415 15.468 ( 0.000 2.583 -0.000) 2.583 15.492 ( 0.000 0.425 0.000) 0.425 15.857 ( 0.000 -0.406 -0.000) 0.406 15.878 ( 0.000 -2.684 0.000) 2.684 15.901 ( 0.000 -1.138 -0.000) 1.138 15.907 ( 0.000 -1.472 0.000) 1.472 16.122 ( 0.000 0.822 -0.000) 0.822 16.150 ( -0.000 -1.963 -0.000) 1.963 16.160 ( 0.000 -0.538 0.000) 0.538 16.173 ( 0.000 -1.842 0.000) 1.842 17.419 ( 0.000 1.268 0.000) 1.268 17.451 ( 0.000 -1.985 0.000) 1.985 17.489 ( 0.000 1.453 0.000) 1.453 17.522 ( 0.000 -1.963 0.000) 1.963 17.992 ( 0.000 2.661 -0.000) 2.661 18.012 ( 0.000 1.688 -0.000) 1.688 18.028 ( 0.000 -0.430 0.000) 0.430 18.057 ( 0.000 -2.068 0.000) 2.068 18.092 ( -0.000 5.151 0.000) 5.151 18.205 ( 0.000 -5.372 -0.000) 5.372 18.263 ( 0.000 3.131 0.000) 3.131 18.329 ( 0.000 -3.073 0.000) 3.073 18.715 ( 0.000 2.961 0.000) 2.961 18.764 ( 0.000 -1.461 -0.000) 1.461 18.791 ( 0.000 2.649 -0.000) 2.649 18.838 ( 0.000 -1.404 0.000) 1.404 19.056 ( 0.000 2.036 0.000) 2.036 19.066 ( -0.000 1.061 0.000) 1.061 19.266 ( 0.000 2.312 0.000) 2.312 19.287 ( 0.000 0.379 0.000) 0.379 ======================= Grid point 49 (17/56) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 3.447 0.000 15.001) 15.392 0.291 ( -1.529 0.000 14.701) 14.780 0.606 ( -3.066 0.000 20.556) 20.784 0.816 ( -3.646 0.000 -11.271) 11.846 0.900 ( -0.723 0.000 -1.362) 1.542 1.210 ( -3.634 0.000 1.533) 3.944 1.229 ( -3.417 0.000 3.325) 4.767 1.297 ( 4.696 0.000 -0.025) 4.696 1.438 ( 0.912 0.000 -0.499) 1.039 1.441 ( -2.973 0.000 -1.040) 3.149 1.590 ( -3.108 0.000 -1.387) 3.404 1.642 ( 1.230 0.000 -3.375) 3.592 1.692 ( 10.062 0.000 5.124) 11.292 1.710 ( 1.823 0.000 5.448) 5.745 1.865 ( -5.567 0.000 -1.813) 5.855 1.981 ( -0.934 0.000 -0.852) 1.264 1.999 ( 4.329 0.000 3.065) 5.304 2.034 ( 2.696 0.000 -1.633) 3.152 2.056 ( -0.483 0.000 -1.153) 1.250 2.088 ( -0.639 0.000 -3.131) 3.195 2.257 ( -2.489 0.000 2.539) 3.555 2.368 ( 1.461 0.000 2.416) 2.823 2.461 ( -2.064 0.000 -2.044) 2.905 2.469 ( -1.906 0.000 -3.307) 3.817 2.578 ( -2.847 0.000 1.670) 3.301 2.654 ( 0.119 0.000 0.509) 0.522 2.853 ( 3.585 0.000 -7.453) 8.270 2.860 ( 3.435 0.000 -4.451) 5.622 2.894 ( 0.953 0.000 -3.492) 3.620 2.945 ( 3.443 0.000 4.007) 5.283 3.024 ( 3.304 0.000 -2.139) 3.936 3.152 ( -5.851 0.000 -2.813) 6.493 3.170 ( -3.545 0.000 1.409) 3.815 3.221 ( 3.350 0.000 3.233) 4.656 3.252 ( 3.021 0.000 2.290) 3.790 3.283 ( 0.835 0.000 -6.090) 6.147 3.285 ( -0.538 0.000 -0.482) 0.722 3.345 ( -1.122 0.000 1.947) 2.247 3.364 ( 0.252 0.000 1.922) 1.939 3.371 ( -0.980 0.000 -1.767) 2.021 3.417 ( -0.945 0.000 -1.330) 1.631 3.435 ( -4.252 0.000 0.317) 4.263 3.442 ( 0.429 0.000 -0.603) 0.740 3.501 ( 2.657 0.000 -4.617) 5.327 3.632 ( -0.242 0.000 1.016) 1.045 3.664 ( 0.248 0.000 3.277) 3.287 3.683 ( 2.010 0.000 4.399) 4.837 3.709 ( -3.319 0.000 0.543) 3.363 3.730 ( -2.306 0.000 2.494) 3.397 3.785 ( -0.908 0.000 3.836) 3.942 3.788 ( 0.120 0.000 0.289) 0.313 3.847 ( 0.328 0.000 -2.524) 2.545 3.909 ( -2.729 0.000 1.619) 3.173 3.958 ( 0.255 0.000 0.343) 0.428 3.968 ( 2.376 0.000 -0.093) 2.378 3.985 ( 0.279 0.000 1.068) 1.104 3.996 ( 0.615 0.000 0.331) 0.698 4.009 ( -5.442 0.000 -0.854) 5.508 4.079 ( 2.951 0.000 -3.569) 4.631 4.111 ( -0.197 0.000 -2.626) 2.633 4.166 ( -5.409 0.000 0.423) 5.426 4.207 ( 3.803 0.000 1.188) 3.985 4.225 ( -2.856 0.000 -0.085) 2.857 4.230 ( 6.665 0.000 2.490) 7.115 4.301 ( -1.347 0.000 -0.869) 1.603 4.313 ( 0.720 0.000 -1.318) 1.502 4.336 ( -0.743 0.000 -0.345) 0.819 4.376 ( -0.503 0.000 -0.802) 0.946 4.408 ( 2.099 0.000 1.922) 2.846 4.427 ( -0.852 0.000 -0.659) 1.077 4.476 ( -0.604 0.000 1.353) 1.482 4.510 ( 0.540 0.000 0.344) 0.641 4.522 ( -0.290 0.000 0.010) 0.290 4.565 ( -2.208 0.000 -3.641) 4.258 4.805 ( 0.894 0.000 5.804) 5.872 4.824 ( 7.538 0.000 1.606) 7.707 4.927 ( -0.533 0.000 -0.831) 0.987 4.958 ( 0.027 0.000 1.657) 1.658 5.027 ( -5.198 0.000 -2.931) 5.967 5.047 ( 0.599 0.000 -0.425) 0.734 5.053 ( 1.750 0.000 -1.739) 2.467 5.075 ( -2.835 0.000 -1.693) 3.303 5.244 ( 4.113 0.000 2.145) 4.639 5.283 ( -2.915 0.000 -0.264) 2.926 5.330 ( -1.080 0.000 1.324) 1.708 5.403 ( 0.846 0.000 -1.256) 1.514 5.779 ( 0.361 0.000 0.459) 0.584 5.807 ( -0.222 0.000 -0.580) 0.621 5.831 ( -2.182 0.000 1.024) 2.411 5.871 ( 5.816 0.000 0.115) 5.818 5.917 ( -4.753 0.000 1.872) 5.108 5.970 ( -1.123 0.000 0.165) 1.135 6.018 ( -1.285 0.000 0.248) 1.309 6.125 ( 3.080 0.000 -3.791) 4.885 6.459 ( 0.390 0.000 0.274) 0.476 6.477 ( -0.310 0.000 -0.497) 0.586 6.689 ( -0.091 0.000 0.769) 0.774 6.730 ( -0.291 0.000 -1.159) 1.194 6.791 ( -0.479 0.000 1.421) 1.499 6.842 ( 0.184 0.000 -0.922) 0.940 7.050 ( -0.196 0.000 0.838) 0.861 7.105 ( -0.041 0.000 -1.719) 1.719 7.177 ( 0.198 0.000 0.877) 0.899 7.195 ( -0.148 0.000 -0.127) 0.195 14.250 ( 0.234 0.000 0.231) 0.329 14.265 ( -0.364 0.000 -0.424) 0.559 14.332 ( 0.388 0.000 0.653) 0.760 14.358 ( -0.280 0.000 -0.448) 0.528 14.987 ( 1.056 0.000 0.028) 1.057 15.002 ( -1.597 0.000 -0.819) 1.794 15.063 ( 1.507 0.000 1.245) 1.954 15.100 ( -0.786 0.000 -0.461) 0.912 15.279 ( -0.453 0.000 0.477) 0.658 15.299 ( 0.413 0.000 -0.363) 0.550 15.616 ( 2.387 0.000 1.001) 2.588 15.662 ( -3.348 0.000 -1.017) 3.499 15.677 ( -2.406 0.000 0.573) 2.473 15.709 ( 3.184 0.000 -0.644) 3.249 15.998 ( -0.129 0.000 1.290) 1.297 16.045 ( -0.063 0.000 -0.526) 0.530 16.256 ( 0.798 0.000 0.227) 0.830 16.283 ( -0.816 0.000 -0.703) 1.077 16.354 ( -0.284 0.000 0.193) 0.343 16.373 ( 0.378 0.000 -0.669) 0.768 17.347 ( -0.067 0.000 0.145) 0.160 17.350 ( 0.028 0.000 0.028) 0.039 17.585 ( -4.673 0.000 0.926) 4.764 17.617 ( 0.668 0.000 -0.414) 0.786 17.840 ( -0.116 0.000 1.110) 1.116 17.902 ( 0.197 0.000 -1.073) 1.091 17.925 ( -1.481 0.000 0.249) 1.502 17.965 ( 1.690 0.000 -1.026) 1.977 18.127 ( 3.816 0.000 0.571) 3.858 18.129 ( 0.059 0.000 0.550) 0.553 18.453 ( 0.227 0.000 0.711) 0.746 18.463 ( 0.396 0.000 0.331) 0.516 18.622 ( -1.860 0.000 -1.151) 2.188 18.628 ( 0.280 0.000 -1.849) 1.870 18.721 ( 1.043 0.000 2.784) 2.973 18.812 ( 0.338 0.000 -1.437) 1.477 19.016 ( 0.032 0.000 -0.043) 0.054 19.019 ( -0.039 0.000 -0.211) 0.214 19.228 ( -1.670 0.000 0.093) 1.673 19.231 ( 0.355 0.000 -0.037) 0.357 ======================= Grid point 50 (18/56) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 12.073 0.000 9.694) 15.483 0.587 ( 11.695 0.000 12.462) 17.090 0.788 ( 15.988 0.000 -1.902) 16.101 0.816 ( 8.785 0.000 -9.231) 12.743 0.962 ( 5.986 0.000 11.496) 12.961 1.167 ( -1.783 0.000 0.658) 1.900 1.209 ( -2.327 0.000 4.306) 4.894 1.382 ( -3.775 0.000 0.557) 3.816 1.453 ( 13.258 0.000 -4.598) 14.032 1.466 ( 1.938 0.000 -1.557) 2.486 1.572 ( 1.551 0.000 3.059) 3.430 1.694 ( 7.147 0.000 -1.640) 7.333 1.702 ( -3.572 0.000 0.344) 3.589 1.863 ( 4.788 0.000 1.867) 5.139 1.899 ( 9.738 0.000 5.156) 11.019 1.968 ( 0.304 0.000 -1.435) 1.467 2.027 ( -1.955 0.000 -0.830) 2.124 2.050 ( -0.550 0.000 -2.941) 2.992 2.115 ( 6.114 0.000 -5.238) 8.051 2.126 ( 5.362 0.000 2.203) 5.797 2.256 ( 1.797 0.000 -1.285) 2.210 2.362 ( -4.338 0.000 4.253) 6.075 2.370 ( -6.211 0.000 -1.487) 6.386 2.420 ( -2.166 0.000 -1.659) 2.729 2.523 ( -2.199 0.000 -0.682) 2.302 2.636 ( -2.818 0.000 0.115) 2.820 2.801 ( -3.849 0.000 -5.337) 6.580 2.860 ( -3.034 0.000 -1.164) 3.250 2.884 ( 1.607 0.000 -7.654) 7.821 2.996 ( -1.047 0.000 -2.253) 2.484 3.005 ( -6.028 0.000 3.631) 7.037 3.031 ( -4.075 0.000 -3.034) 5.081 3.144 ( 2.202 0.000 3.044) 3.757 3.192 ( -4.074 0.000 -3.874) 5.622 3.232 ( -3.094 0.000 -1.917) 3.639 3.264 ( -6.138 0.000 0.627) 6.170 3.315 ( -2.294 0.000 -0.555) 2.360 3.324 ( 1.182 0.000 -0.029) 1.182 3.342 ( 1.842 0.000 2.460) 3.074 3.366 ( -1.595 0.000 -3.319) 3.683 3.387 ( 1.705 0.000 1.701) 2.408 3.428 ( 1.897 0.000 1.591) 2.476 3.471 ( 1.489 0.000 -0.703) 1.646 3.538 ( -1.325 0.000 0.386) 1.380 3.581 ( -4.151 0.000 1.930) 4.578 3.650 ( -3.745 0.000 0.220) 3.752 3.663 ( -2.478 0.000 2.933) 3.840 3.696 ( -3.228 0.000 3.958) 5.108 3.715 ( -0.208 0.000 1.856) 1.868 3.729 ( -6.622 0.000 -1.612) 6.815 3.788 ( -5.038 0.000 1.021) 5.141 3.818 ( 2.006 0.000 2.770) 3.420 3.885 ( -4.254 0.000 0.206) 4.259 3.896 ( -1.202 0.000 1.423) 1.862 3.901 ( -0.045 0.000 0.456) 0.458 3.975 ( -0.544 0.000 -1.041) 1.174 4.018 ( 0.502 0.000 0.153) 0.525 4.040 ( 1.420 0.000 -0.022) 1.420 4.063 ( -2.005 0.000 1.389) 2.439 4.104 ( 2.061 0.000 -3.604) 4.152 4.135 ( -0.626 0.000 -0.183) 0.653 4.174 ( -2.651 0.000 0.606) 2.720 4.260 ( 0.203 0.000 0.790) 0.815 4.294 ( -2.070 0.000 -0.623) 2.162 4.312 ( 3.652 0.000 -1.496) 3.946 4.349 ( -1.773 0.000 1.770) 2.505 4.357 ( 2.891 0.000 0.651) 2.963 4.373 ( 0.264 0.000 -1.864) 1.882 4.401 ( 6.283 0.000 -0.460) 6.300 4.441 ( 0.177 0.000 0.266) 0.320 4.487 ( 0.195 0.000 0.048) 0.201 4.509 ( -0.870 0.000 0.389) 0.953 4.532 ( 0.479 0.000 -1.710) 1.775 4.566 ( 3.223 0.000 0.908) 3.349 4.780 ( -4.804 0.000 -0.086) 4.804 4.880 ( -3.696 0.000 1.800) 4.111 4.924 ( -0.156 0.000 2.840) 2.844 4.949 ( 2.485 0.000 -2.760) 3.714 4.977 ( 2.808 0.000 1.719) 3.292 5.019 ( -0.624 0.000 -2.974) 3.039 5.079 ( 2.147 0.000 0.213) 2.157 5.146 ( 5.801 0.000 0.350) 5.812 5.224 ( -1.858 0.000 -0.005) 1.858 5.306 ( 0.662 0.000 -0.604) 0.896 5.382 ( 5.702 0.000 2.722) 6.318 5.440 ( 2.784 0.000 -2.012) 3.436 5.707 ( -7.943 0.000 0.066) 7.943 5.760 ( -9.513 0.000 -0.143) 9.514 5.806 ( 2.123 0.000 0.558) 2.195 5.807 ( 0.692 0.000 -0.921) 1.152 5.931 ( -0.261 0.000 4.347) 4.355 6.022 ( -0.512 0.000 -0.359) 0.625 6.137 ( 10.836 0.000 -1.174) 10.899 6.191 ( 9.777 0.000 -2.189) 10.019 6.496 ( 2.930 0.000 0.675) 3.007 6.502 ( 3.323 0.000 -0.903) 3.443 6.687 ( -0.754 0.000 0.925) 1.194 6.723 ( 0.107 0.000 -0.657) 0.666 6.791 ( -0.349 0.000 1.091) 1.146 6.835 ( -0.353 0.000 -0.823) 0.896 7.044 ( -1.082 0.000 1.298) 1.690 7.109 ( -0.046 0.000 -2.808) 2.808 7.170 ( -2.491 0.000 -0.073) 2.492 7.183 ( -0.554 0.000 -0.689) 0.885 14.253 ( -0.015 0.000 0.442) 0.442 14.255 ( -0.364 0.000 -0.564) 0.671 14.331 ( -0.955 0.000 0.815) 1.256 14.340 ( -1.223 0.000 -0.714) 1.416 14.987 ( 0.350 0.000 -0.811) 0.884 15.024 ( 2.731 0.000 0.745) 2.831 15.091 ( 0.215 0.000 -1.555) 1.570 15.105 ( 2.255 0.000 1.235) 2.571 15.276 ( 0.000 0.000 0.045) 0.045 15.302 ( 0.231 0.000 0.028) 0.232 15.538 ( -6.308 0.000 1.615) 6.511 15.548 ( -6.388 0.000 -1.599) 6.585 15.773 ( 6.806 0.000 0.052) 6.806 15.812 ( 6.586 0.000 -0.320) 6.594 16.014 ( 1.057 0.000 1.145) 1.558 16.042 ( 0.275 0.000 -0.611) 0.670 16.238 ( -3.532 0.000 -1.310) 3.767 16.264 ( -0.066 0.000 0.791) 0.794 16.331 ( -2.137 0.000 -0.275) 2.155 16.353 ( -1.976 0.000 -0.312) 2.000 17.355 ( 0.792 0.000 0.088) 0.797 17.358 ( 0.875 0.000 0.000) 0.875 17.576 ( 0.937 0.000 0.852) 1.266 17.637 ( 1.411 0.000 0.441) 1.479 17.846 ( 0.045 0.000 1.214) 1.215 17.900 ( 0.262 0.000 -1.721) 1.740 17.909 ( -0.287 0.000 0.376) 0.473 17.999 ( 2.412 0.000 -0.107) 2.414 18.126 ( -0.558 0.000 0.131) 0.573 18.172 ( 1.810 0.000 -3.213) 3.687 18.427 ( -2.953 0.000 0.430) 2.984 18.449 ( -1.950 0.000 0.266) 1.968 18.584 ( -1.161 0.000 -2.180) 2.470 18.659 ( 3.309 0.000 0.343) 3.327 18.762 ( 1.652 0.000 1.549) 2.265 18.810 ( 0.334 0.000 -1.554) 1.590 18.992 ( -5.921 0.000 3.414) 6.835 19.016 ( -0.070 0.000 0.014) 0.071 19.080 ( -6.721 0.000 6.873) 9.613 19.200 ( -3.677 0.000 -1.168) 3.858 ======================= Grid point 51 (19/56) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 13.815 0.000 5.183) 14.755 0.804 ( 8.427 0.000 6.844) 10.856 0.925 ( -1.761 0.000 4.803) 5.116 0.943 ( 7.389 0.000 -2.854) 7.921 1.144 ( -2.029 0.000 1.147) 2.330 1.150 ( 4.249 0.000 0.184) 4.253 1.315 ( -3.739 0.000 1.352) 3.976 1.335 ( 16.948 0.000 4.629) 17.569 1.449 ( -1.741 0.000 -2.748) 3.253 1.602 ( 6.428 0.000 -2.014) 6.737 1.668 ( 0.793 0.000 -2.403) 2.530 1.734 ( 11.866 0.000 -0.764) 11.890 1.852 ( 5.826 0.000 1.314) 5.973 1.961 ( 2.266 0.000 2.641) 3.480 1.968 ( -4.816 0.000 -5.357) 7.204 1.973 ( 0.057 0.000 -1.816) 1.817 1.996 ( 0.561 0.000 1.297) 1.413 2.073 ( 7.810 0.000 1.791) 8.012 2.179 ( 0.670 0.000 1.752) 1.876 2.229 ( 7.771 0.000 -1.400) 7.897 2.254 ( -3.946 0.000 1.967) 4.409 2.292 ( -4.434 0.000 2.949) 5.325 2.319 ( 4.945 0.000 -1.536) 5.178 2.363 ( -1.978 0.000 -2.322) 3.050 2.531 ( 2.409 0.000 0.011) 2.409 2.535 ( -6.888 0.000 -1.701) 7.095 2.714 ( -5.082 0.000 -0.406) 5.098 2.769 ( -3.301 0.000 -3.612) 4.893 2.869 ( 0.555 0.000 -2.518) 2.579 2.901 ( -4.434 0.000 0.232) 4.440 2.959 ( -1.623 0.000 -2.354) 2.859 2.965 ( -3.753 0.000 -4.067) 5.534 3.096 ( -5.184 0.000 -1.702) 5.456 3.112 ( -6.299 0.000 -1.547) 6.486 3.141 ( -9.183 0.000 -2.326) 9.473 3.194 ( -2.974 0.000 1.243) 3.223 3.240 ( -0.757 0.000 0.311) 0.818 3.321 ( -2.476 0.000 0.365) 2.502 3.344 ( 0.517 0.000 -2.155) 2.216 3.347 ( -0.018 0.000 -3.470) 3.470 3.386 ( -2.075 0.000 -3.257) 3.862 3.449 ( -2.026 0.000 -1.732) 2.665 3.495 ( 3.536 0.000 3.218) 4.781 3.505 ( -0.345 0.000 3.927) 3.942 3.567 ( -2.146 0.000 5.152) 5.581 3.584 ( -1.165 0.000 1.125) 1.620 3.630 ( -2.356 0.000 3.853) 4.516 3.665 ( -2.575 0.000 3.784) 4.577 3.666 ( -1.257 0.000 3.331) 3.561 3.712 ( -3.404 0.000 2.733) 4.366 3.727 ( 0.749 0.000 0.824) 1.113 3.852 ( -0.774 0.000 1.497) 1.685 3.860 ( 1.319 0.000 -0.205) 1.335 3.888 ( 0.430 0.000 -1.365) 1.431 3.942 ( 2.178 0.000 1.161) 2.468 3.959 ( -0.346 0.000 -1.323) 1.368 4.009 ( -0.499 0.000 -1.379) 1.467 4.034 ( -1.789 0.000 0.632) 1.897 4.056 ( 0.001 0.000 0.225) 0.225 4.127 ( 0.680 0.000 -0.777) 1.033 4.136 ( 0.470 0.000 1.432) 1.507 4.152 ( 1.576 0.000 -0.770) 1.754 4.220 ( -4.902 0.000 -0.299) 4.911 4.256 ( -0.047 0.000 -0.643) 0.645 4.324 ( -1.264 0.000 0.542) 1.375 4.341 ( -1.183 0.000 -1.680) 2.055 4.376 ( 1.503 0.000 -1.899) 2.422 4.411 ( 1.824 0.000 0.479) 1.886 4.439 ( 1.597 0.000 -0.955) 1.861 4.470 ( -0.341 0.000 1.259) 1.305 4.477 ( -2.083 0.000 0.159) 2.089 4.513 ( 3.119 0.000 -2.592) 4.055 4.551 ( 0.577 0.000 1.098) 1.240 4.598 ( 0.619 0.000 0.715) 0.946 4.722 ( -1.003 0.000 -0.138) 1.012 4.822 ( -2.637 0.000 -0.306) 2.654 4.933 ( -0.576 0.000 2.383) 2.452 4.992 ( 2.206 0.000 -1.397) 2.612 5.045 ( 5.263 0.000 -1.538) 5.483 5.052 ( 3.047 0.000 1.781) 3.529 5.133 ( 4.352 0.000 0.666) 4.402 5.191 ( 0.256 0.000 -1.734) 1.753 5.253 ( 2.905 0.000 2.433) 3.790 5.304 ( -0.125 0.000 -2.079) 2.083 5.462 ( 1.072 0.000 -1.748) 2.051 5.466 ( 1.506 0.000 1.813) 2.357 5.578 ( -6.238 0.000 -0.053) 6.239 5.609 ( -6.926 0.000 0.339) 6.935 5.822 ( 1.327 0.000 -0.897) 1.602 5.851 ( 2.340 0.000 0.308) 2.360 5.932 ( -1.739 0.000 3.280) 3.712 5.984 ( -1.972 0.000 -1.757) 2.641 6.324 ( 9.691 0.000 0.026) 9.691 6.374 ( 10.441 0.000 -0.996) 10.488 6.547 ( 1.864 0.000 0.926) 2.082 6.571 ( 4.831 0.000 -1.401) 5.030 6.670 ( -1.633 0.000 0.636) 1.752 6.706 ( -2.903 0.000 0.545) 2.954 6.808 ( 2.750 0.000 -0.553) 2.805 6.823 ( -0.888 0.000 0.049) 0.889 7.027 ( -1.692 0.000 1.707) 2.404 7.084 ( -0.822 0.000 -1.945) 2.112 7.115 ( -3.363 0.000 0.219) 3.370 7.140 ( -3.283 0.000 -0.823) 3.384 14.250 ( 0.161 0.000 -0.478) 0.504 14.255 ( -0.088 0.000 0.448) 0.457 14.312 ( -1.473 0.000 0.707) 1.634 14.315 ( -0.940 0.000 -0.739) 1.196 15.001 ( 1.357 0.000 -0.452) 1.430 15.073 ( 1.177 0.000 -0.697) 1.368 15.093 ( 1.656 0.000 0.096) 1.659 15.143 ( 1.061 0.000 0.836) 1.350 15.284 ( 1.195 0.000 -0.371) 1.251 15.319 ( 1.787 0.000 0.589) 1.882 15.435 ( -5.368 0.000 -1.515) 5.578 15.443 ( -5.386 0.000 1.623) 5.625 15.877 ( 4.844 0.000 0.153) 4.846 15.925 ( 6.183 0.000 -0.299) 6.190 16.040 ( 1.123 0.000 0.365) 1.181 16.048 ( 0.631 0.000 -0.554) 0.839 16.157 ( -4.443 0.000 -0.868) 4.527 16.256 ( -1.874 0.000 -0.087) 1.876 16.291 ( -1.130 0.000 -0.430) 1.209 16.314 ( -2.154 0.000 0.257) 2.169 17.370 ( 0.755 0.000 0.048) 0.757 17.376 ( 0.980 0.000 -0.180) 0.997 17.599 ( 0.992 0.000 1.094) 1.477 17.660 ( 0.474 0.000 0.865) 0.986 17.853 ( -0.076 0.000 1.140) 1.143 17.896 ( 0.487 0.000 -1.453) 1.533 17.919 ( 0.907 0.000 0.785) 1.199 18.039 ( 1.657 0.000 -0.046) 1.657 18.116 ( -0.540 0.000 0.059) 0.543 18.172 ( 1.128 0.000 -3.393) 3.575 18.376 ( -2.585 0.000 0.301) 2.602 18.408 ( -2.223 0.000 -0.929) 2.409 18.562 ( -0.393 0.000 -0.793) 0.885 18.727 ( 3.579 0.000 0.780) 3.663 18.779 ( -0.388 0.000 0.038) 0.390 18.804 ( -0.762 0.000 0.586) 0.961 18.900 ( -5.789 0.000 6.025) 8.355 19.023 ( 0.506 0.000 0.212) 0.549 19.062 ( -0.560 0.000 1.861) 1.943 19.108 ( -3.972 0.000 -3.619) 5.373 ======================= Grid point 52 (20/56) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -11.582 0.000 5.352) 12.759 0.897 ( -6.789 0.000 0.109) 6.790 0.998 ( 5.930 0.000 8.902) 10.697 1.042 ( 7.994 0.000 7.232) 10.779 1.158 ( 5.136 0.000 -0.016) 5.136 1.256 ( 7.931 0.000 -2.975) 8.471 1.281 ( -1.347 0.000 1.427) 1.962 1.331 ( -6.935 0.000 -1.689) 7.138 1.595 ( 4.730 0.000 -1.279) 4.900 1.623 ( -7.034 0.000 -1.126) 7.124 1.667 ( -12.985 0.000 -2.263) 13.181 1.778 ( 3.601 0.000 -0.819) 3.693 1.810 ( -1.869 0.000 -9.441) 9.624 1.877 ( 3.071 0.000 -2.306) 3.841 1.959 ( -1.540 0.000 1.500) 2.150 1.974 ( -1.019 0.000 0.665) 1.217 2.049 ( -0.868 0.000 6.649) 6.706 2.185 ( 1.354 0.000 2.180) 2.566 2.196 ( -1.584 0.000 3.007) 3.399 2.263 ( -1.471 0.000 -2.471) 2.875 2.298 ( 1.119 0.000 2.029) 2.317 2.302 ( 2.174 0.000 -0.351) 2.202 2.354 ( 2.150 0.000 -2.902) 3.612 2.404 ( 6.918 0.000 -2.415) 7.327 2.520 ( 5.709 0.000 6.154) 8.394 2.590 ( -5.262 0.000 0.569) 5.293 2.594 ( 3.627 0.000 1.565) 3.950 2.750 ( 0.099 0.000 -6.402) 6.403 2.802 ( -4.224 0.000 -3.518) 5.498 2.827 ( -3.654 0.000 -4.519) 5.812 2.901 ( 1.967 0.000 2.262) 2.998 2.967 ( 0.804 0.000 0.524) 0.960 2.969 ( 4.113 0.000 -0.709) 4.174 3.041 ( 1.340 0.000 -2.681) 2.998 3.130 ( -6.881 0.000 -3.173) 7.577 3.144 ( 4.177 0.000 -3.599) 5.513 3.184 ( 0.859 0.000 0.369) 0.935 3.296 ( -0.328 0.000 -3.193) 3.210 3.325 ( -0.398 0.000 -4.010) 4.029 3.338 ( 0.954 0.000 -3.482) 3.610 3.362 ( 0.529 0.000 -1.184) 1.297 3.419 ( -0.742 0.000 -1.362) 1.551 3.504 ( -0.943 0.000 2.648) 2.811 3.547 ( 0.098 0.000 1.495) 1.498 3.583 ( -1.008 0.000 6.813) 6.887 3.591 ( 1.157 0.000 1.804) 2.143 3.639 ( -2.692 0.000 4.190) 4.980 3.639 ( -0.239 0.000 5.869) 5.874 3.700 ( 1.794 0.000 5.908) 6.174 3.723 ( 1.216 0.000 5.897) 6.021 3.746 ( 0.432 0.000 1.593) 1.651 3.843 ( -0.762 0.000 0.489) 0.906 3.869 ( -0.161 0.000 -0.887) 0.901 3.875 ( -1.359 0.000 -2.099) 2.501 3.943 ( -2.506 0.000 -1.445) 2.893 3.951 ( 0.136 0.000 -0.921) 0.931 4.000 ( 0.723 0.000 -2.469) 2.572 4.025 ( 1.068 0.000 -0.355) 1.125 4.063 ( 0.757 0.000 1.587) 1.758 4.117 ( -1.249 0.000 1.408) 1.881 4.142 ( -2.859 0.000 1.833) 3.396 4.171 ( 1.955 0.000 0.087) 1.957 4.205 ( 4.041 0.000 -3.254) 5.188 4.255 ( 0.617 0.000 -1.658) 1.769 4.286 ( -2.706 0.000 -0.358) 2.730 4.299 ( -1.459 0.000 -0.927) 1.729 4.395 ( -2.139 0.000 -1.380) 2.545 4.399 ( 1.739 0.000 -1.323) 2.185 4.455 ( -0.553 0.000 0.305) 0.632 4.458 ( -1.217 0.000 1.124) 1.656 4.489 ( 2.719 0.000 -0.328) 2.739 4.529 ( 1.089 0.000 -2.793) 2.998 4.561 ( 0.049 0.000 2.098) 2.099 4.606 ( -0.426 0.000 0.491) 0.650 4.726 ( 0.482 0.000 1.083) 1.185 4.786 ( -1.114 0.000 -1.258) 1.680 4.934 ( -0.691 0.000 2.234) 2.338 5.014 ( 1.134 0.000 -1.106) 1.584 5.076 ( -0.631 0.000 1.092) 1.262 5.118 ( 1.569 0.000 -0.343) 1.606 5.185 ( -2.897 0.000 -0.264) 2.909 5.196 ( 1.829 0.000 -1.122) 2.146 5.258 ( -4.041 0.000 0.591) 4.084 5.307 ( 4.073 0.000 -1.391) 4.304 5.453 ( -2.468 0.000 0.871) 2.617 5.478 ( 1.835 0.000 -0.347) 1.867 5.527 ( 1.109 0.000 0.736) 1.331 5.546 ( -0.728 0.000 -0.195) 0.754 5.839 ( 0.947 0.000 -0.300) 0.993 5.871 ( -0.749 0.000 -0.514) 0.908 5.911 ( -2.153 0.000 1.924) 2.887 5.958 ( 0.608 0.000 -1.230) 1.371 6.428 ( 0.332 0.000 0.952) 1.008 6.485 ( -0.026 0.000 -1.782) 1.782 6.581 ( 2.112 0.000 1.921) 2.855 6.627 ( 0.864 0.000 -0.322) 0.922 6.634 ( -3.429 0.000 -0.062) 3.430 6.657 ( 1.325 0.000 -1.051) 1.691 6.802 ( -1.598 0.000 1.152) 1.970 6.851 ( 0.844 0.000 -0.880) 1.219 7.014 ( -0.487 0.000 1.252) 1.344 7.075 ( 1.313 0.000 -1.368) 1.896 7.080 ( -0.082 0.000 0.319) 0.329 7.099 ( 0.368 0.000 -0.442) 0.576 14.252 ( -0.422 0.000 0.080) 0.430 14.258 ( 1.001 0.000 -0.198) 1.020 14.292 ( -1.123 0.000 0.394) 1.190 14.309 ( 0.618 0.000 -0.332) 0.701 15.022 ( 0.935 0.000 0.151) 0.947 15.057 ( -1.220 0.000 -1.843) 2.211 15.136 ( 1.470 0.000 1.366) 2.007 15.146 ( -1.001 0.000 0.321) 1.051 15.321 ( 3.027 0.000 -0.254) 3.038 15.329 ( -2.883 0.000 -0.764) 2.983 15.370 ( -3.393 0.000 1.162) 3.586 15.394 ( 3.506 0.000 0.305) 3.519 15.932 ( 0.508 0.000 0.816) 0.961 15.982 ( -1.362 0.000 -1.425) 1.971 16.047 ( -0.043 0.000 -0.365) 0.367 16.052 ( 0.182 0.000 -0.634) 0.659 16.125 ( 2.364 0.000 1.514) 2.807 16.208 ( -1.590 0.000 -2.278) 2.778 16.291 ( -0.465 0.000 0.342) 0.577 16.295 ( 1.039 0.000 0.409) 1.116 17.378 ( 0.015 0.000 0.058) 0.060 17.385 ( 0.112 0.000 -0.305) 0.325 17.626 ( 1.252 0.000 2.081) 2.429 17.659 ( -0.848 0.000 0.157) 0.862 17.855 ( -0.414 0.000 0.988) 1.072 17.900 ( 0.648 0.000 -1.057) 1.240 17.945 ( 0.926 0.000 1.929) 2.139 18.035 ( -1.388 0.000 -1.506) 2.048 18.109 ( -0.383 0.000 0.300) 0.486 18.197 ( 3.094 0.000 -3.241) 4.481 18.351 ( -0.268 0.000 0.069) 0.277 18.373 ( -0.515 0.000 -1.856) 1.926 18.563 ( 0.055 0.000 2.469) 2.469 18.741 ( -2.025 0.000 -2.168) 2.967 18.781 ( 0.436 0.000 0.961) 1.055 18.793 ( -2.195 0.000 5.058) 5.514 18.852 ( -2.082 0.000 0.911) 2.273 18.997 ( -1.194 0.000 -2.968) 3.199 19.058 ( -0.866 0.000 0.617) 1.064 19.091 ( 2.644 0.000 -0.740) 2.746 ======================= Grid point 53 (21/56) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -14.193 0.000 9.938) 17.326 0.677 ( -16.428 0.000 3.649) 16.828 1.078 ( -2.383 0.000 -2.136) 3.200 1.199 ( 3.672 0.000 5.829) 6.889 1.202 ( -15.336 0.000 4.567) 16.002 1.250 ( -2.026 0.000 5.931) 6.268 1.261 ( -13.486 0.000 4.937) 14.361 1.290 ( 3.990 0.000 -1.018) 4.118 1.381 ( 3.728 0.000 -3.423) 5.061 1.403 ( -9.097 0.000 -7.359) 11.701 1.615 ( 0.257 0.000 -0.352) 0.436 1.684 ( -6.276 0.000 -8.073) 10.225 1.868 ( -4.797 0.000 -0.209) 4.802 1.886 ( -8.419 0.000 0.471) 8.432 1.906 ( 0.418 0.000 1.040) 1.121 1.956 ( 1.423 0.000 -0.237) 1.443 2.056 ( 0.007 0.000 2.313) 2.313 2.139 ( -2.767 0.000 1.068) 2.966 2.155 ( -5.527 0.000 -2.335) 6.000 2.176 ( -4.391 0.000 2.578) 5.092 2.319 ( -0.784 0.000 -0.162) 0.801 2.322 ( 3.851 0.000 -0.966) 3.970 2.410 ( -6.255 0.000 3.272) 7.059 2.443 ( 6.875 0.000 -1.228) 6.984 2.551 ( 7.991 0.000 -6.190) 10.108 2.563 ( -3.078 0.000 2.729) 4.113 2.730 ( 3.069 0.000 -1.564) 3.444 2.781 ( 5.763 0.000 -5.213) 7.771 2.834 ( 4.290 0.000 -5.786) 7.203 2.836 ( 8.655 0.000 4.071) 9.565 2.974 ( -2.512 0.000 -3.800) 4.555 2.982 ( 8.196 0.000 1.262) 8.293 3.051 ( 0.850 0.000 -1.643) 1.850 3.075 ( 5.901 0.000 1.312) 6.045 3.145 ( 8.815 0.000 -2.409) 9.138 3.208 ( 2.397 0.000 1.813) 3.005 3.253 ( 8.570 0.000 -4.272) 9.576 3.271 ( -0.575 0.000 -1.928) 2.012 3.324 ( 4.085 0.000 -3.235) 5.211 3.361 ( 4.152 0.000 -2.371) 4.781 3.369 ( 0.076 0.000 0.700) 0.705 3.400 ( -0.112 0.000 -1.612) 1.616 3.515 ( 0.210 0.000 2.445) 2.454 3.548 ( -0.480 0.000 2.346) 2.395 3.572 ( -2.113 0.000 0.790) 2.256 3.627 ( 0.753 0.000 2.601) 2.708 3.630 ( -1.720 0.000 6.090) 6.328 3.678 ( 1.551 0.000 4.420) 4.684 3.756 ( 0.653 0.000 4.644) 4.689 3.758 ( -0.743 0.000 3.704) 3.778 3.785 ( 1.944 0.000 4.110) 4.547 3.817 ( -3.225 0.000 -1.605) 3.603 3.833 ( -0.163 0.000 -1.933) 1.940 3.850 ( -1.347 0.000 0.373) 1.398 3.890 ( -1.250 0.000 -0.817) 1.494 3.958 ( 1.223 0.000 -0.410) 1.290 4.006 ( 1.416 0.000 -2.083) 2.519 4.038 ( 0.733 0.000 -1.634) 1.791 4.089 ( 0.726 0.000 1.270) 1.463 4.106 ( -0.315 0.000 0.686) 0.755 4.124 ( -0.456 0.000 2.252) 2.298 4.203 ( -1.341 0.000 -3.230) 3.497 4.228 ( 3.832 0.000 0.208) 3.838 4.268 ( -0.166 0.000 2.157) 2.163 4.276 ( 0.083 0.000 -0.750) 0.755 4.284 ( 2.716 0.000 -2.803) 3.903 4.359 ( -0.725 0.000 -1.123) 1.337 4.397 ( -1.387 0.000 -0.985) 1.701 4.437 ( -1.391 0.000 0.906) 1.660 4.466 ( 1.146 0.000 1.109) 1.595 4.511 ( -1.734 0.000 -2.820) 3.310 4.526 ( 0.768 0.000 -0.678) 1.025 4.572 ( 0.323 0.000 1.443) 1.479 4.597 ( -0.803 0.000 0.454) 0.922 4.741 ( 0.498 0.000 1.716) 1.787 4.757 ( -1.322 0.000 -2.125) 2.502 4.930 ( -1.211 0.000 2.246) 2.551 5.020 ( 0.511 0.000 -1.300) 1.397 5.032 ( -5.323 0.000 0.011) 5.323 5.106 ( -2.019 0.000 0.944) 2.229 5.111 ( -1.992 0.000 0.682) 2.105 5.159 ( -4.835 0.000 -2.374) 5.387 5.225 ( 0.911 0.000 1.480) 1.738 5.340 ( -1.485 0.000 -1.355) 2.011 5.413 ( -2.915 0.000 0.320) 2.932 5.504 ( 0.044 0.000 -0.010) 0.045 5.591 ( 6.488 0.000 -0.579) 6.513 5.609 ( 6.862 0.000 0.792) 6.907 5.832 ( -2.420 0.000 -0.853) 2.565 5.844 ( -0.740 0.000 0.394) 0.839 5.891 ( -0.632 0.000 1.540) 1.665 5.982 ( 1.943 0.000 0.096) 1.945 6.347 ( -8.722 0.000 0.732) 8.753 6.370 ( -9.770 0.000 -1.631) 9.905 6.544 ( -4.004 0.000 0.428) 4.027 6.598 ( -3.730 0.000 -1.329) 3.959 6.673 ( 0.123 0.000 1.877) 1.881 6.678 ( 3.798 0.000 -0.274) 3.808 6.808 ( 1.963 0.000 -0.573) 2.045 6.822 ( -2.461 0.000 0.099) 2.463 7.021 ( 0.578 0.000 1.043) 1.193 7.106 ( 2.429 0.000 -0.806) 2.560 7.118 ( 3.436 0.000 0.355) 3.454 7.155 ( 5.121 0.000 -1.710) 5.399 14.246 ( -0.184 0.000 -0.180) 0.258 14.278 ( -0.532 0.000 0.564) 0.776 14.282 ( 1.636 0.000 -0.413) 1.687 14.328 ( 1.505 0.000 -0.062) 1.506 15.020 ( -1.760 0.000 -1.462) 2.288 15.032 ( 0.020 0.000 0.879) 0.880 15.112 ( -2.848 0.000 -0.476) 2.887 15.150 ( -0.538 0.000 0.760) 0.931 15.289 ( -0.720 0.000 -0.607) 0.942 15.313 ( -2.126 0.000 0.802) 2.272 15.411 ( 5.523 0.000 -0.195) 5.526 15.482 ( 5.625 0.000 0.241) 5.630 15.893 ( -5.083 0.000 0.893) 5.161 15.902 ( -5.423 0.000 -1.033) 5.520 16.033 ( -1.521 0.000 0.137) 1.527 16.051 ( 0.010 0.000 -0.709) 0.710 16.196 ( 1.636 0.000 -2.335) 2.851 16.211 ( 4.724 0.000 1.476) 4.950 16.303 ( 1.841 0.000 -0.444) 1.894 16.321 ( 1.527 0.000 0.233) 1.544 17.371 ( -0.778 0.000 0.083) 0.782 17.376 ( -0.849 0.000 -0.243) 0.883 17.638 ( -1.137 0.000 -0.502) 1.243 17.667 ( 1.909 0.000 2.461) 3.115 17.850 ( -0.682 0.000 0.829) 1.073 17.905 ( 0.436 0.000 -0.921) 1.019 17.962 ( -0.583 0.000 2.574) 2.639 17.996 ( -1.592 0.000 -1.946) 2.514 18.107 ( 0.213 0.000 0.192) 0.287 18.195 ( -0.676 0.000 -7.845) 7.874 18.369 ( 2.178 0.000 0.043) 2.178 18.386 ( 2.598 0.000 -0.434) 2.634 18.599 ( 1.114 0.000 7.361) 7.445 18.690 ( -1.891 0.000 -2.357) 3.022 18.759 ( -2.677 0.000 -0.128) 2.680 18.791 ( -1.448 0.000 8.832) 8.950 18.831 ( -0.288 0.000 -1.417) 1.446 18.993 ( 1.425 0.000 -0.956) 1.716 19.040 ( -1.191 0.000 0.005) 1.191 19.144 ( 3.648 0.000 -1.024) 3.789 ======================= Grid point 54 (22/56) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -16.263 0.000 8.366) 18.289 0.419 ( -14.256 0.000 10.792) 17.880 0.753 ( -26.420 0.000 15.225) 30.493 0.979 ( -5.424 0.000 -5.089) 7.437 1.040 ( -14.370 0.000 -5.995) 15.571 1.258 ( -2.475 0.000 2.401) 3.448 1.264 ( 0.087 0.000 1.999) 2.001 1.265 ( -0.576 0.000 4.524) 4.561 1.427 ( 1.972 0.000 -2.321) 3.045 1.482 ( 8.430 0.000 -1.417) 8.549 1.538 ( -4.553 0.000 -0.892) 4.640 1.631 ( 1.834 0.000 -0.074) 1.836 1.702 ( -8.588 0.000 -1.523) 8.722 1.722 ( -7.130 0.000 0.867) 7.182 1.936 ( -0.904 0.000 1.347) 1.622 1.975 ( 0.978 0.000 0.624) 1.160 2.048 ( -4.636 0.000 0.377) 4.651 2.057 ( -3.466 0.000 -2.895) 4.516 2.072 ( -3.032 0.000 -2.593) 3.990 2.132 ( -1.413 0.000 -1.261) 1.893 2.314 ( -4.545 0.000 1.594) 4.816 2.315 ( 1.810 0.000 1.318) 2.239 2.437 ( 4.826 0.000 0.443) 4.846 2.501 ( 0.793 0.000 -2.827) 2.936 2.580 ( 0.943 0.000 3.712) 3.830 2.623 ( 3.186 0.000 -1.371) 3.469 2.791 ( 6.646 0.000 -8.388) 10.702 2.823 ( 3.854 0.000 -6.661) 7.696 2.880 ( 2.785 0.000 -2.670) 3.858 2.925 ( -0.077 0.000 -2.936) 2.937 2.952 ( 3.534 0.000 0.953) 3.661 3.114 ( 5.541 0.000 0.798) 5.598 3.115 ( 3.836 0.000 6.075) 7.185 3.209 ( 8.692 0.000 -0.088) 8.692 3.231 ( 3.282 0.000 -2.853) 4.349 3.241 ( -0.237 0.000 -0.552) 0.601 3.266 ( 0.863 0.000 -0.267) 0.904 3.327 ( 1.935 0.000 -0.575) 2.019 3.358 ( 0.343 0.000 -4.229) 4.243 3.366 ( -0.829 0.000 1.114) 1.389 3.417 ( 3.666 0.000 0.019) 3.666 3.474 ( 1.519 0.000 -0.993) 1.815 3.515 ( -0.771 0.000 -1.656) 1.827 3.523 ( -5.745 0.000 3.593) 6.776 3.570 ( 3.930 0.000 1.494) 4.204 3.640 ( 0.529 0.000 0.997) 1.128 3.642 ( 0.130 0.000 3.545) 3.547 3.727 ( 0.909 0.000 1.322) 1.605 3.753 ( -2.075 0.000 3.449) 4.025 3.779 ( 0.520 0.000 -0.543) 0.752 3.803 ( -2.497 0.000 1.584) 2.957 3.804 ( 2.462 0.000 2.431) 3.460 3.838 ( 4.621 0.000 2.703) 5.354 3.876 ( 4.968 0.000 -0.552) 4.999 3.919 ( 2.876 0.000 0.614) 2.941 3.978 ( 0.823 0.000 -0.220) 0.852 4.030 ( 0.081 0.000 -0.454) 0.461 4.030 ( 0.808 0.000 -0.573) 0.990 4.101 ( 0.923 0.000 -1.373) 1.654 4.109 ( -1.184 0.000 -0.663) 1.357 4.144 ( 1.843 0.000 1.707) 2.512 4.161 ( -0.107 0.000 -1.936) 1.939 4.264 ( -1.598 0.000 0.959) 1.864 4.280 ( -2.261 0.000 -0.200) 2.270 4.285 ( 2.178 0.000 -0.889) 2.352 4.307 ( 0.964 0.000 -0.399) 1.043 4.364 ( 1.339 0.000 0.800) 1.560 4.367 ( 0.384 0.000 -0.026) 0.385 4.401 ( -4.116 0.000 -0.186) 4.120 4.451 ( -2.407 0.000 -1.709) 2.952 4.487 ( -0.483 0.000 1.836) 1.898 4.504 ( -0.512 0.000 -0.849) 0.992 4.563 ( -3.009 0.000 -0.961) 3.159 4.599 ( 0.987 0.000 -0.720) 1.222 4.733 ( 0.513 0.000 -0.216) 0.556 4.761 ( 0.034 0.000 3.896) 3.896 4.926 ( 0.519 0.000 1.439) 1.530 4.956 ( -2.393 0.000 -0.522) 2.449 5.029 ( 1.201 0.000 -1.437) 1.873 5.063 ( -2.175 0.000 -0.641) 2.267 5.099 ( -1.494 0.000 -0.948) 1.769 5.111 ( 0.137 0.000 1.882) 1.887 5.261 ( -5.123 0.000 -2.193) 5.572 5.261 ( 2.460 0.000 1.758) 3.024 5.360 ( -3.087 0.000 1.530) 3.445 5.462 ( -4.191 0.000 -1.088) 4.330 5.730 ( 8.882 0.000 -0.994) 8.938 5.741 ( 6.765 0.000 0.440) 6.780 5.793 ( -1.193 0.000 -0.341) 1.241 5.824 ( -1.156 0.000 -0.059) 1.158 5.907 ( 0.785 0.000 2.661) 2.775 6.032 ( 3.544 0.000 2.059) 4.099 6.165 ( -11.396 0.000 -3.264) 11.854 6.170 ( -10.964 0.000 0.183) 10.965 6.482 ( -2.765 0.000 0.107) 2.767 6.518 ( -3.865 0.000 -0.343) 3.880 6.684 ( 0.198 0.000 0.914) 0.936 6.723 ( 1.714 0.000 -0.609) 1.819 6.795 ( -0.979 0.000 1.040) 1.428 6.836 ( 1.243 0.000 -0.823) 1.491 7.040 ( 0.708 0.000 0.896) 1.141 7.139 ( 1.466 0.000 -1.673) 2.224 7.175 ( 2.363 0.000 0.173) 2.369 7.198 ( 0.143 0.000 -4.401) 4.404 14.245 ( 0.176 0.000 -0.086) 0.196 14.272 ( -0.275 0.000 -0.168) 0.323 14.312 ( 1.522 0.000 0.329) 1.557 14.352 ( 1.101 0.000 -0.194) 1.118 14.988 ( -0.893 0.000 -0.797) 1.197 15.037 ( -0.470 0.000 1.498) 1.570 15.054 ( -2.350 0.000 -1.109) 2.598 15.129 ( -1.796 0.000 -0.191) 1.806 15.290 ( 0.732 0.000 -0.458) 0.863 15.290 ( -1.046 0.000 0.384) 1.114 15.514 ( 6.156 0.000 -0.279) 6.163 15.586 ( 6.080 0.000 -0.193) 6.083 15.787 ( -6.928 0.000 0.474) 6.944 15.795 ( -6.108 0.000 -0.906) 6.175 16.007 ( -1.420 0.000 0.822) 1.641 16.046 ( -0.016 0.000 -0.418) 0.418 16.226 ( 2.487 0.000 -1.028) 2.691 16.275 ( 1.795 0.000 0.419) 1.843 16.345 ( 2.737 0.000 -0.743) 2.837 16.345 ( 1.106 0.000 0.016) 1.106 17.356 ( -0.890 0.000 0.130) 0.900 17.358 ( -0.899 0.000 -0.081) 0.903 17.619 ( -0.524 0.000 -0.688) 0.865 17.694 ( -1.233 0.000 -2.519) 2.805 17.841 ( -0.681 0.000 0.709) 0.983 17.905 ( 0.190 0.000 -0.983) 1.001 17.951 ( -1.778 0.000 1.545) 2.356 17.963 ( -0.725 0.000 -2.411) 2.517 18.110 ( -3.175 0.000 -2.870) 4.280 18.119 ( 0.673 0.000 0.487) 0.831 18.417 ( 2.805 0.000 0.399) 2.834 18.434 ( 2.544 0.000 -0.075) 2.545 18.645 ( -0.676 0.000 3.287) 3.356 18.654 ( -0.874 0.000 -3.056) 3.179 18.714 ( -2.133 0.000 2.096) 2.991 18.816 ( -0.006 0.000 -1.194) 1.194 18.942 ( 12.853 0.000 18.456) 22.490 19.014 ( 0.877 0.000 -0.166) 0.893 19.022 ( -0.528 0.000 0.276) 0.596 19.200 ( 3.074 0.000 -0.866) 3.194 ======================= Grid point 55 (23/56) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -0.699 14.076 9.370) 16.924 0.532 ( 1.681 13.650 11.876) 18.171 0.761 ( -2.310 15.849 11.631) 19.794 0.893 ( -3.903 7.132 -9.817) 12.747 1.023 ( -0.229 10.518 -4.271) 11.355 1.250 ( 2.584 1.988 -1.226) 3.483 1.290 ( -2.397 5.621 -0.191) 6.114 1.346 ( -0.315 4.877 2.100) 5.320 1.437 ( -1.845 1.653 2.261) 3.354 1.478 ( 1.257 4.031 -0.232) 4.229 1.562 ( -3.902 -1.312 2.961) 5.071 1.660 ( 7.161 -0.329 2.944) 7.750 1.716 ( 3.565 2.150 -1.128) 4.313 1.763 ( -0.242 2.550 3.298) 4.176 1.861 ( -5.284 0.334 -1.925) 5.634 1.922 ( 3.817 -2.234 0.402) 4.441 2.036 ( -2.843 3.521 -1.163) 4.673 2.056 ( -2.452 0.139 -1.131) 2.703 2.098 ( 1.691 2.377 -0.560) 2.970 2.185 ( 3.290 6.263 -2.794) 7.606 2.257 ( 0.186 0.979 2.627) 2.810 2.344 ( 1.893 -1.800 2.224) 3.431 2.471 ( -2.722 0.763 -1.926) 3.421 2.489 ( -2.085 1.223 -1.895) 3.072 2.550 ( -1.707 -4.283 -0.948) 4.707 2.640 ( 0.717 0.096 -0.502) 0.880 2.739 ( 3.423 -5.373 -5.991) 8.745 2.816 ( -0.378 -3.385 -3.245) 4.705 2.932 ( 3.592 -2.817 -2.281) 5.103 2.968 ( -0.789 -1.957 -1.070) 2.365 3.010 ( 3.700 5.589 1.946) 6.980 3.146 ( -2.341 -0.436 -0.283) 2.398 3.168 ( -2.923 -0.375 -1.603) 3.355 3.196 ( 1.432 1.314 1.203) 2.286 3.233 ( -2.411 -3.651 1.401) 4.594 3.265 ( 2.116 0.146 0.980) 2.337 3.304 ( 1.242 -2.481 -0.317) 2.793 3.336 ( 2.357 1.723 0.411) 2.948 3.350 ( -2.735 0.813 0.967) 3.013 3.397 ( -2.434 -0.248 0.672) 2.538 3.439 ( -1.937 0.194 -1.144) 2.258 3.455 ( 2.357 1.870 -2.616) 3.987 3.473 ( -0.473 3.456 -2.227) 4.138 3.514 ( 1.485 1.219 -4.193) 4.612 3.618 ( -0.110 -1.517 1.473) 2.117 3.643 ( 0.359 -1.598 1.435) 2.177 3.683 ( -1.350 -2.255 1.983) 3.292 3.696 ( -0.223 -0.477 2.255) 2.315 3.723 ( -2.005 -1.647 1.517) 3.005 3.753 ( 0.122 2.277 1.198) 2.576 3.817 ( -0.964 -0.036 0.481) 1.078 3.867 ( 1.194 -4.345 0.655) 4.553 3.897 ( 1.044 2.466 -1.674) 3.158 3.902 ( -0.176 -1.041 1.514) 1.845 3.941 ( -4.328 -1.435 -0.194) 4.564 3.977 ( 2.125 -5.286 0.470) 5.717 4.013 ( 0.050 0.231 0.921) 0.951 4.031 ( 0.698 -1.777 0.531) 1.982 4.053 ( -0.113 1.428 0.887) 1.685 4.094 ( -1.557 -0.106 -2.055) 2.580 4.126 ( 1.459 -2.496 0.163) 2.896 4.170 ( -0.889 -0.405 0.171) 0.992 4.199 ( -0.194 -0.515 -2.286) 2.352 4.233 ( 0.250 -0.171 -1.002) 1.047 4.281 ( 1.012 0.043 1.425) 1.748 4.302 ( 0.356 -0.085 0.572) 0.679 4.381 ( -0.752 0.038 0.049) 0.754 4.395 ( 0.071 1.321 -0.566) 1.439 4.431 ( 2.354 2.075 0.292) 3.151 4.456 ( -2.270 2.321 -0.046) 3.246 4.521 ( -0.764 3.377 1.316) 3.704 4.553 ( 0.278 2.453 0.519) 2.522 4.603 ( 0.246 3.807 -3.313) 5.052 4.608 ( -1.369 3.899 -2.089) 4.631 4.729 ( 4.114 -5.344 1.907) 7.009 4.788 ( 0.998 -1.580 4.938) 5.280 4.875 ( -0.243 -3.725 -2.849) 4.695 4.905 ( -1.061 -6.219 2.870) 6.931 5.046 ( -1.475 -0.650 0.105) 1.616 5.054 ( 1.739 -0.161 -0.603) 1.847 5.071 ( -2.887 5.413 0.358) 6.145 5.122 ( -0.311 3.877 -1.997) 4.372 5.193 ( 4.757 -3.458 1.810) 6.153 5.273 ( -4.128 -1.039 -2.037) 4.719 5.375 ( 0.968 4.049 2.054) 4.642 5.446 ( 0.065 2.976 -1.262) 3.233 5.739 ( 0.478 -4.910 1.424) 5.134 5.794 ( -0.535 -2.635 -0.907) 2.838 5.821 ( -4.546 -1.421 0.758) 4.823 5.839 ( 3.704 -0.659 1.165) 3.938 5.888 ( 4.679 -1.456 -0.445) 4.920 5.920 ( -4.537 -2.309 0.381) 5.105 6.095 ( 1.578 5.135 0.978) 5.460 6.141 ( -1.047 3.623 0.593) 3.818 6.450 ( 0.515 -0.533 0.491) 0.888 6.484 ( -0.200 0.168 -0.838) 0.877 6.680 ( -0.071 -0.898 0.664) 1.119 6.717 ( -0.046 -1.032 -1.109) 1.515 6.778 ( -0.179 -0.889 1.824) 2.037 6.850 ( 0.000 0.192 -1.604) 1.616 7.084 ( -0.331 1.047 -0.818) 1.369 7.108 ( 0.498 0.203 -1.400) 1.500 7.168 ( -0.114 -0.824 0.814) 1.164 7.184 ( -0.122 -0.991 -0.110) 1.004 14.250 ( 0.270 0.258 0.065) 0.380 14.267 ( -0.415 0.236 -0.593) 0.762 14.326 ( 0.404 -0.572 0.815) 1.074 14.355 ( -0.245 -0.297 -0.493) 0.626 14.994 ( 0.994 0.673 0.106) 1.205 15.011 ( -1.536 0.757 -0.817) 1.897 15.067 ( 1.458 0.322 1.058) 1.830 15.103 ( -0.799 0.257 -0.564) 1.011 15.286 ( -0.433 0.766 0.493) 1.009 15.306 ( 0.378 0.829 -0.358) 0.979 15.594 ( 1.119 -2.040 0.918) 2.501 15.641 ( -1.614 -2.191 -0.958) 2.885 15.697 ( -1.091 2.055 0.581) 2.398 15.731 ( 1.417 2.204 -0.813) 2.743 15.993 ( -0.051 -0.700 0.850) 1.103 16.029 ( 0.026 -1.246 -0.621) 1.393 16.222 ( 1.055 -2.774 0.117) 2.970 16.249 ( -0.971 -3.032 -0.857) 3.296 16.325 ( -0.297 -2.700 -0.047) 2.716 16.331 ( 0.453 -3.987 -0.386) 4.032 17.369 ( -0.094 1.701 0.305) 1.731 17.413 ( 0.805 3.522 -3.048) 4.727 17.572 ( -2.495 -1.089 1.453) 3.085 17.612 ( 0.089 -0.826 -0.367) 0.908 17.834 ( -0.288 0.024 1.162) 1.198 17.910 ( -0.153 0.078 -2.676) 2.682 17.966 ( -0.780 3.637 0.558) 3.761 18.020 ( 0.209 3.460 -2.356) 4.191 18.109 ( 2.454 -1.095 0.733) 2.785 18.126 ( 0.023 0.093 0.124) 0.157 18.442 ( 0.781 -1.712 1.011) 2.136 18.468 ( 0.248 -0.215 0.127) 0.352 18.621 ( 0.118 0.698 0.441) 0.834 18.653 ( -1.272 1.722 -2.025) 2.947 18.727 ( 0.056 1.243 3.133) 3.371 18.827 ( 0.222 1.137 -1.632) 2.001 18.843 ( 0.030 -4.647 7.801) 9.080 19.007 ( -0.128 -0.385 -2.003) 2.044 19.281 ( 0.601 4.116 1.316) 4.362 19.375 ( -0.868 4.976 -3.707) 6.265 ======================= Grid point 56 (24/56) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 7.173 8.070 9.353) 14.285 0.702 ( 5.908 8.158 12.937) 16.395 0.802 ( 2.555 3.893 -8.097) 9.341 0.952 ( 13.592 10.646 -2.693) 17.473 1.103 ( 8.077 11.160 4.489) 14.489 1.214 ( -3.037 4.548 -0.690) 5.512 1.282 ( -2.114 5.174 1.925) 5.912 1.370 ( -1.310 -0.718 -0.638) 1.625 1.453 ( 6.481 2.547 1.164) 7.061 1.512 ( 2.318 3.815 -0.661) 4.513 1.558 ( 2.182 0.210 3.567) 4.187 1.710 ( 1.100 0.195 -2.509) 2.746 1.760 ( 0.556 4.011 0.421) 4.071 1.809 ( 1.780 -3.952 0.266) 4.343 1.866 ( 5.542 -2.384 2.292) 6.454 2.003 ( 1.323 0.166 -0.467) 1.412 2.027 ( 1.737 -0.739 0.687) 2.008 2.034 ( 2.783 1.976 3.419) 4.831 2.135 ( 3.431 2.994 -2.166) 5.042 2.236 ( 3.683 5.075 -5.175) 8.130 2.259 ( -1.274 0.812 0.061) 1.513 2.360 ( -1.062 0.249 3.240) 3.419 2.395 ( -4.774 2.558 -1.338) 5.579 2.451 ( 0.271 2.555 -1.246) 2.855 2.483 ( -4.420 -3.133 -1.594) 5.648 2.643 ( 0.669 -2.477 -0.233) 2.577 2.698 ( -4.020 -2.840 -3.223) 5.884 2.824 ( 1.696 -2.419 -4.848) 5.677 2.888 ( -4.210 -1.499 -2.458) 5.100 2.966 ( -1.181 -2.979 -1.648) 3.603 3.043 ( -3.919 2.658 0.704) 4.788 3.068 ( -5.837 0.587 -4.327) 7.289 3.127 ( 0.217 -0.232 4.560) 4.571 3.163 ( -2.412 -0.454 -0.911) 2.618 3.211 ( -4.665 -3.393 -1.188) 5.890 3.253 ( -2.327 -2.196 1.679) 3.613 3.262 ( -4.179 0.248 0.923) 4.287 3.311 ( 0.878 0.406 -0.983) 1.379 3.363 ( -0.427 -0.657 0.324) 0.848 3.375 ( -1.456 0.057 -0.856) 1.690 3.427 ( 2.086 0.294 0.015) 2.107 3.440 ( -1.305 1.854 -1.293) 2.610 3.504 ( 1.082 2.559 -1.147) 3.006 3.540 ( 2.401 0.819 -0.214) 2.546 3.559 ( -4.509 -0.262 1.384) 4.724 3.628 ( -1.076 -0.573 0.728) 1.420 3.666 ( -2.838 0.390 2.888) 4.068 3.678 ( -3.156 -0.975 0.945) 3.436 3.722 ( 0.237 0.123 1.749) 1.769 3.766 ( -1.902 -1.757 1.254) 2.877 3.782 ( -0.825 0.159 0.900) 1.232 3.819 ( -3.912 2.800 1.528) 5.047 3.856 ( -0.535 -0.382 0.689) 0.953 3.909 ( -2.243 0.318 -0.669) 2.362 3.957 ( -1.860 -0.971 -0.836) 2.259 3.977 ( 2.255 -0.004 0.515) 2.313 4.009 ( 0.459 2.335 0.392) 2.412 4.042 ( 1.640 -1.020 0.733) 2.066 4.055 ( -1.023 0.151 -0.284) 1.072 4.094 ( 0.475 -1.419 -0.283) 1.523 4.122 ( -0.153 0.725 -1.009) 1.252 4.184 ( 0.796 0.227 -0.785) 1.141 4.228 ( 4.760 -3.380 -0.087) 5.839 4.288 ( 2.626 -1.558 -0.948) 3.197 4.300 ( 0.960 0.608 0.703) 1.336 4.307 ( 0.592 -0.316 -0.331) 0.749 4.361 ( -0.023 -1.841 0.499) 1.907 4.385 ( -4.094 2.476 0.903) 4.869 4.415 ( 0.694 1.231 0.907) 1.680 4.455 ( 0.652 -0.092 -2.110) 2.210 4.514 ( -0.809 2.725 1.167) 3.073 4.557 ( -0.257 2.160 -0.742) 2.299 4.591 ( 0.221 4.735 -1.148) 4.877 4.613 ( 1.201 3.868 0.348) 4.065 4.749 ( -4.340 -2.576 -1.054) 5.156 4.812 ( 3.295 -4.713 1.712) 5.999 4.853 ( -2.910 -4.717 1.179) 5.666 4.890 ( 1.523 -2.288 0.760) 2.851 5.041 ( 1.994 -0.199 0.622) 2.099 5.064 ( 0.208 4.435 0.435) 4.461 5.081 ( 1.593 0.717 -0.093) 1.749 5.172 ( 4.215 1.534 -1.081) 4.614 5.199 ( -1.064 -1.197 -1.987) 2.552 5.313 ( 5.331 -1.227 1.371) 5.640 5.386 ( 0.476 2.555 0.840) 2.731 5.467 ( 1.851 1.648 -1.203) 2.755 5.684 ( -6.550 -2.786 0.535) 7.138 5.720 ( -7.033 -3.528 0.103) 7.869 5.794 ( 0.823 -0.796 -0.079) 1.148 5.835 ( -0.510 1.641 -0.762) 1.880 5.901 ( 1.025 -1.996 3.349) 4.032 5.977 ( 1.425 -3.380 -0.845) 3.764 6.182 ( 7.506 3.932 -0.924) 8.524 6.211 ( 8.605 2.045 0.556) 8.862 6.486 ( 2.866 -0.647 0.668) 3.013 6.504 ( 2.842 -0.161 -1.036) 3.029 6.680 ( -0.441 -0.656 0.783) 1.113 6.711 ( 0.158 -1.048 -0.900) 1.390 6.781 ( -0.533 -0.697 1.615) 1.838 6.834 ( -0.628 -0.185 -1.224) 1.388 7.047 ( -1.996 0.283 0.332) 2.043 7.117 ( -0.412 0.332 -1.626) 1.710 7.159 ( -2.308 -1.167 -0.181) 2.592 7.167 ( -1.022 -1.255 0.063) 1.620 14.249 ( -0.332 -0.159 0.569) 0.678 14.254 ( -0.564 0.005 -0.710) 0.907 14.327 ( -0.804 -0.420 0.826) 1.227 14.339 ( -1.123 -0.210 -0.733) 1.357 14.995 ( 0.229 0.712 -0.781) 1.082 15.028 ( 2.438 0.446 0.790) 2.601 15.095 ( 0.261 0.247 -1.484) 1.527 15.107 ( 2.177 0.154 1.059) 2.426 15.285 ( 0.227 1.032 0.110) 1.062 15.311 ( 0.496 0.963 -0.009) 1.084 15.539 ( -5.354 -0.036 1.259) 5.501 15.553 ( -5.528 0.253 -1.253) 5.674 15.767 ( 5.835 -0.157 0.276) 5.844 15.807 ( 5.701 -0.256 -0.498) 5.729 16.006 ( 0.787 -0.975 0.680) 1.425 16.031 ( 0.680 -0.942 -0.486) 1.260 16.205 ( -3.068 -2.943 -1.255) 4.433 16.237 ( 0.213 -2.413 0.595) 2.494 16.305 ( -1.815 -2.523 -0.513) 3.150 16.318 ( -1.560 -3.357 -0.043) 3.702 17.372 ( 0.219 1.339 0.302) 1.390 17.400 ( -0.022 3.275 -1.453) 3.583 17.562 ( 0.040 -1.330 1.096) 1.724 17.622 ( 0.689 -1.450 0.278) 1.629 17.845 ( 0.830 0.325 1.218) 1.509 17.909 ( 1.300 0.602 -1.891) 2.372 17.949 ( -1.182 3.572 0.081) 3.763 18.023 ( 0.672 1.828 -0.028) 1.948 18.118 ( -0.364 -0.793 0.072) 0.875 18.153 ( 2.053 -0.736 -1.792) 2.823 18.432 ( -2.509 -1.467 0.110) 2.909 18.442 ( -2.176 0.033 -0.055) 2.177 18.601 ( -1.162 1.759 -2.017) 2.918 18.678 ( 3.468 1.503 1.225) 3.973 18.750 ( 0.225 -0.196 3.034) 3.048 18.820 ( -0.041 0.612 -1.264) 1.405 18.887 ( 0.789 -1.990 5.872) 6.250 18.995 ( 0.038 -0.902 -2.428) 2.590 19.234 ( -7.245 6.420 0.132) 9.681 19.281 ( -4.260 6.344 0.542) 7.661 ======================= Grid point 57 (25/56) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 12.814 2.883 6.326) 14.578 0.849 ( 8.704 2.532 -4.988) 10.346 0.899 ( 5.577 3.325 10.809) 12.609 1.052 ( -1.487 6.022 0.923) 6.271 1.132 ( -5.392 2.800 0.243) 6.080 1.232 ( 2.340 3.925 -2.437) 5.179 1.292 ( -1.836 -0.961 1.309) 2.451 1.416 ( 11.507 6.206 2.431) 13.298 1.506 ( -2.238 4.349 -2.664) 5.570 1.577 ( 5.168 -1.248 1.393) 5.496 1.672 ( 7.235 -2.476 1.099) 7.725 1.741 ( 2.462 -1.682 -3.180) 4.359 1.805 ( 3.618 -0.671 -2.316) 4.348 1.838 ( 2.051 -2.566 1.947) 3.819 1.902 ( -0.220 -4.370 -0.578) 4.414 2.023 ( -3.328 -1.236 0.644) 3.608 2.032 ( -0.094 2.374 1.412) 2.764 2.118 ( 2.711 0.936 3.478) 4.508 2.206 ( 6.336 2.340 0.270) 6.760 2.237 ( -3.064 1.174 0.089) 3.282 2.266 ( 2.421 -0.234 -1.553) 2.886 2.316 ( 2.419 2.771 -5.534) 6.645 2.382 ( 1.801 2.723 -0.296) 3.278 2.400 ( -2.668 -0.163 -0.054) 2.673 2.468 ( -1.821 4.608 2.525) 5.561 2.616 ( -2.095 -4.147 -0.945) 4.741 2.655 ( -0.723 1.388 0.099) 1.568 2.775 ( -3.380 -2.624 -4.341) 6.095 2.805 ( -3.813 1.988 -0.607) 4.343 2.896 ( -5.537 -3.078 -1.896) 6.613 2.952 ( -3.075 -0.367 -1.764) 3.564 2.978 ( -0.571 -1.297 -2.501) 2.874 3.054 ( -5.802 -2.523 -1.960) 6.624 3.126 ( -4.486 1.547 -1.818) 5.081 3.151 ( -5.730 1.356 0.626) 5.922 3.203 ( -2.112 1.204 1.119) 2.676 3.227 ( 1.389 -1.295 0.985) 2.139 3.321 ( -0.972 -0.059 2.054) 2.273 3.325 ( 0.174 0.155 -3.877) 3.884 3.361 ( 0.162 0.350 -2.470) 2.500 3.387 ( -1.385 0.642 -3.361) 3.692 3.473 ( -0.540 1.461 -1.489) 2.155 3.495 ( 1.577 0.017 2.344) 2.825 3.561 ( -1.293 2.044 2.009) 3.144 3.589 ( -0.139 3.081 5.087) 5.949 3.605 ( -1.325 1.841 0.882) 2.434 3.619 ( -1.103 1.004 4.080) 4.344 3.653 ( -0.678 -0.273 3.452) 3.529 3.700 ( -3.406 0.711 2.438) 4.249 3.728 ( -1.200 2.030 0.690) 2.457 3.776 ( -1.663 3.785 1.515) 4.403 3.807 ( 1.027 -2.484 0.461) 2.727 3.850 ( -0.830 -0.703 0.712) 1.300 3.883 ( -0.013 -0.775 -1.480) 1.670 3.915 ( -1.557 -0.510 -0.856) 1.849 4.010 ( 0.636 1.198 -0.321) 1.394 4.016 ( 0.074 0.500 -0.682) 0.849 4.027 ( -0.904 0.079 -1.408) 1.675 4.063 ( 1.206 0.907 1.037) 1.831 4.119 ( 1.776 -0.840 1.177) 2.290 4.147 ( 1.868 1.630 -0.240) 2.491 4.184 ( -0.063 2.501 -0.338) 2.525 4.244 ( -1.887 0.968 -0.439) 2.166 4.284 ( -0.869 0.776 -0.807) 1.417 4.322 ( -0.724 0.237 -0.224) 0.794 4.332 ( 1.146 -1.840 -0.202) 2.177 4.345 ( 0.838 -0.641 -0.942) 1.414 4.378 ( 0.874 -3.590 -0.740) 3.768 4.416 ( -0.818 0.936 1.248) 1.762 4.474 ( 1.792 -2.271 -1.197) 3.131 4.508 ( -0.600 2.255 0.953) 2.520 4.523 ( -1.465 1.810 -0.705) 2.433 4.594 ( -0.319 3.670 -0.179) 3.688 4.620 ( -0.643 2.203 0.276) 2.311 4.709 ( 0.543 -0.799 -0.212) 0.989 4.788 ( -2.154 -2.932 -0.080) 3.639 4.891 ( 1.685 -2.489 0.838) 3.120 4.949 ( 4.518 -2.964 0.680) 5.446 5.075 ( 1.288 2.514 0.242) 2.835 5.102 ( 3.369 -0.285 0.248) 3.390 5.116 ( 2.257 0.742 0.081) 2.377 5.156 ( -0.711 -1.708 -0.976) 2.092 5.261 ( 3.508 0.813 0.173) 3.605 5.358 ( 0.149 3.057 -0.534) 3.107 5.417 ( 1.683 -2.191 0.292) 2.779 5.478 ( -0.069 -0.267 -0.455) 0.532 5.581 ( -5.641 -0.631 -0.152) 5.678 5.589 ( -5.635 -1.605 0.481) 5.879 5.813 ( 1.160 -0.875 -0.341) 1.492 5.853 ( 1.808 -0.085 -0.271) 1.830 5.915 ( -1.062 -1.423 2.845) 3.354 5.961 ( -1.396 -2.138 -1.522) 2.973 6.334 ( 8.671 1.129 -0.227) 8.747 6.380 ( 9.320 0.661 -0.148) 9.345 6.539 ( 1.979 -0.725 0.873) 2.281 6.562 ( 4.383 -0.912 -1.320) 4.668 6.668 ( -1.409 -0.110 0.497) 1.499 6.696 ( -2.514 -0.775 0.149) 2.635 6.789 ( 1.401 -1.251 0.113) 1.882 6.818 ( -0.767 -0.859 -0.238) 1.176 7.022 ( -1.057 -0.196 0.740) 1.305 7.088 ( -1.497 0.125 -1.003) 1.806 7.106 ( -3.165 -0.890 0.096) 3.289 7.126 ( -3.149 -1.209 -0.427) 3.400 14.244 ( -0.108 -0.437 -0.543) 0.705 14.247 ( -0.365 -0.653 0.616) 0.969 14.311 ( -1.164 -0.160 0.474) 1.267 14.315 ( -0.904 -0.057 -0.575) 1.073 15.006 ( 1.188 0.465 -0.462) 1.357 15.070 ( 0.808 -0.370 -0.238) 0.920 15.098 ( 1.495 0.495 -0.284) 1.600 15.145 ( 1.184 0.077 0.735) 1.396 15.298 ( 1.484 1.502 -0.335) 2.138 15.332 ( 1.947 1.354 0.494) 2.422 15.450 ( -4.713 1.365 -1.032) 5.014 15.457 ( -5.094 1.277 1.154) 5.377 15.864 ( 4.726 -1.132 0.287) 4.868 15.907 ( 5.694 -1.601 -0.449) 5.932 16.016 ( 0.115 -1.973 -0.049) 1.977 16.043 ( 0.220 -1.069 -0.251) 1.120 16.139 ( -3.069 -1.466 -0.650) 3.463 16.234 ( -1.369 -1.961 -0.013) 2.392 16.269 ( -1.019 -2.082 -0.598) 2.394 16.287 ( -1.784 -2.555 0.342) 3.135 17.379 ( 0.351 0.869 0.302) 0.985 17.402 ( 0.646 2.166 -0.782) 2.392 17.571 ( 0.257 -2.363 1.259) 2.690 17.630 ( -0.022 -2.520 0.339) 2.542 17.874 ( 1.370 1.526 1.227) 2.390 17.924 ( 0.161 2.597 -1.133) 2.838 17.933 ( 0.550 1.444 0.134) 1.551 18.034 ( 0.011 -0.038 0.667) 0.668 18.111 ( -0.290 -0.584 -0.257) 0.700 18.174 ( 1.917 0.405 -2.237) 2.974 18.375 ( -2.777 -0.736 -0.714) 2.960 18.405 ( -2.113 -0.411 -0.122) 2.156 18.580 ( -0.248 1.830 -0.887) 2.049 18.751 ( 3.472 1.544 1.218) 3.991 18.759 ( -0.990 -0.489 2.552) 2.780 18.813 ( -0.218 0.821 -0.758) 1.138 18.925 ( -0.282 1.566 4.176) 4.469 18.978 ( -0.426 -0.489 -2.347) 2.435 19.132 ( -3.097 5.341 -0.204) 6.177 19.206 ( -4.385 6.058 -0.083) 7.479 ======================= Grid point 58 (26/56) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -9.342 4.493 3.846) 11.057 0.929 ( -9.885 3.230 -0.193) 10.401 1.042 ( 7.825 2.027 3.864) 8.959 1.069 ( 7.171 3.703 7.520) 11.031 1.100 ( 5.910 -1.455 2.970) 6.772 1.246 ( -4.307 -0.828 2.561) 5.079 1.298 ( 6.449 1.880 -5.203) 8.497 1.414 ( -4.223 4.647 -4.297) 7.609 1.563 ( 0.877 -2.329 1.804) 3.074 1.622 ( -6.524 -1.435 1.447) 6.834 1.697 ( -5.252 -0.520 -3.217) 6.181 1.745 ( 2.741 -2.935 -1.354) 4.238 1.805 ( -1.865 -0.560 -4.381) 4.794 1.852 ( 1.676 1.578 -2.004) 3.052 1.931 ( 1.337 -1.580 1.915) 2.820 1.963 ( -0.510 -0.007 -0.270) 0.577 2.051 ( -1.796 0.030 4.077) 4.455 2.145 ( -1.486 -2.260 2.231) 3.506 2.179 ( -1.282 -1.729 -1.841) 2.833 2.258 ( -2.113 1.130 1.688) 2.931 2.298 ( 3.814 -2.664 -3.398) 5.761 2.387 ( 4.613 -1.853 1.782) 5.281 2.409 ( 3.401 4.306 -4.100) 6.849 2.430 ( -1.128 4.992 1.297) 5.280 2.474 ( 6.928 0.023 1.632) 7.117 2.550 ( -8.203 -0.404 0.377) 8.221 2.647 ( 1.569 -0.918 3.714) 4.135 2.730 ( -0.395 -0.896 -3.748) 3.874 2.781 ( 1.929 0.529 -1.546) 2.528 2.802 ( -0.530 -2.330 -1.881) 3.041 2.910 ( -0.074 0.547 -1.827) 1.909 2.952 ( -2.458 2.093 -2.538) 4.106 3.010 ( 2.438 -0.011 0.123) 2.441 3.063 ( 3.567 4.574 0.308) 5.809 3.145 ( 2.027 1.537 -4.395) 5.078 3.194 ( -0.020 1.141 1.564) 1.936 3.228 ( -1.061 3.474 -1.532) 3.942 3.289 ( -0.796 0.675 -3.308) 3.469 3.318 ( -0.227 -1.009 -1.854) 2.122 3.343 ( -0.303 1.839 -3.701) 4.143 3.362 ( 0.561 0.263 -0.193) 0.649 3.451 ( -0.612 2.663 -1.528) 3.130 3.512 ( -1.482 0.000 2.531) 2.932 3.533 ( -0.100 0.425 1.843) 1.894 3.596 ( -1.182 0.566 3.695) 3.921 3.608 ( 0.539 1.259 1.394) 1.955 3.653 ( -0.192 0.733 6.684) 6.727 3.670 ( -2.005 1.742 2.259) 3.487 3.702 ( 1.344 2.126 4.242) 4.932 3.726 ( 0.592 -0.222 4.886) 4.926 3.776 ( 0.465 2.284 1.884) 2.997 3.815 ( -0.190 -1.822 -1.361) 2.282 3.842 ( -0.203 -1.763 -0.034) 1.775 3.859 ( -1.447 1.111 -0.526) 1.899 3.908 ( 1.169 -1.933 -1.928) 2.970 3.994 ( -1.515 -0.212 -2.537) 2.962 4.012 ( 0.341 1.918 -1.080) 2.227 4.019 ( 0.727 0.172 -0.364) 0.831 4.100 ( 1.145 2.411 2.261) 3.498 4.132 ( -1.630 0.867 0.748) 1.992 4.164 ( 0.853 1.408 -0.078) 1.648 4.184 ( 0.632 2.061 2.151) 3.045 4.238 ( 1.871 1.701 -2.970) 3.901 4.263 ( -0.946 0.648 -1.846) 2.173 4.290 ( -2.286 -0.026 0.207) 2.295 4.332 ( -0.545 -2.085 -1.945) 2.903 4.346 ( -0.350 1.874 -0.901) 2.109 4.374 ( 0.920 -2.202 -1.164) 2.655 4.422 ( -0.295 -2.153 1.350) 2.558 4.471 ( -0.820 -1.483 -0.488) 1.763 4.507 ( 0.399 0.629 0.661) 0.996 4.537 ( 2.132 1.282 -0.673) 2.577 4.581 ( -1.013 2.813 0.482) 3.028 4.616 ( 0.403 1.903 0.017) 1.945 4.725 ( 0.252 -0.371 0.875) 0.983 4.761 ( -0.928 -2.218 -0.507) 2.457 4.919 ( 0.724 -1.002 1.323) 1.811 4.973 ( -1.886 -2.556 -1.210) 3.399 5.096 ( -0.890 -0.046 0.701) 1.133 5.131 ( 0.467 -1.220 -0.770) 1.516 5.149 ( -1.233 -0.568 0.761) 1.557 5.167 ( 3.450 -0.926 0.639) 3.629 5.292 ( -1.780 2.186 -0.217) 2.828 5.335 ( 0.758 1.850 -1.567) 2.540 5.438 ( 0.272 -1.243 0.919) 1.570 5.483 ( -0.199 -0.379 -0.952) 1.044 5.512 ( 1.057 -1.589 1.028) 2.168 5.543 ( -0.801 -0.095 -0.392) 0.897 5.828 ( 0.537 -1.108 0.119) 1.237 5.867 ( -0.546 -0.566 -0.685) 1.043 5.903 ( -1.669 -0.789 1.537) 2.403 5.941 ( 0.641 -1.682 -0.928) 2.025 6.428 ( 0.277 0.088 0.797) 0.849 6.478 ( -0.207 -0.489 -1.598) 1.684 6.572 ( 1.125 -0.902 1.866) 2.358 6.619 ( 0.173 -1.101 0.289) 1.151 6.638 ( -1.144 0.452 -0.857) 1.499 6.643 ( 0.302 -0.642 -0.835) 1.096 6.795 ( -0.830 -0.668 0.742) 1.298 6.823 ( 0.365 -2.361 -0.412) 2.425 7.021 ( -0.029 0.390 0.935) 1.014 7.069 ( 0.540 -0.574 -1.138) 1.385 7.073 ( -0.154 -0.627 0.291) 0.708 7.089 ( 0.463 -0.947 -0.315) 1.100 14.240 ( -0.599 -0.915 0.166) 1.106 14.249 ( 0.928 -0.772 -0.177) 1.220 14.294 ( -0.978 0.110 0.331) 1.038 14.310 ( 0.659 0.032 -0.358) 0.751 15.025 ( 0.928 0.256 0.080) 0.966 15.054 ( -1.203 -0.256 -1.504) 1.942 15.131 ( 0.729 -0.137 1.156) 1.374 15.153 ( -0.243 0.302 0.184) 0.429 15.336 ( 2.044 1.505 -0.101) 2.541 15.349 ( -1.692 1.838 -0.701) 2.595 15.387 ( -3.099 1.586 1.119) 3.657 15.412 ( 2.976 1.761 0.110) 3.460 15.918 ( 0.248 -1.261 0.798) 1.513 15.967 ( -0.874 -1.371 -1.373) 2.128 16.014 ( 0.465 -2.762 -0.028) 2.802 16.025 ( 0.073 -2.746 -0.564) 2.804 16.126 ( 1.463 -0.105 1.107) 1.838 16.195 ( -1.361 -1.173 -2.033) 2.714 16.266 ( -0.253 -2.275 0.449) 2.333 16.275 ( 0.829 -1.954 0.239) 2.135 17.384 ( -0.052 0.715 0.306) 0.779 17.406 ( 0.184 1.675 -0.750) 1.844 17.586 ( 0.358 -3.180 1.911) 3.728 17.628 ( -0.103 -2.808 -0.179) 2.815 17.887 ( -1.026 3.064 0.886) 3.350 17.922 ( 1.028 1.092 -0.314) 1.532 17.963 ( 1.725 2.244 0.990) 2.998 18.020 ( -1.535 -0.806 -0.406) 1.780 18.108 ( -0.183 -0.088 0.320) 0.379 18.191 ( 1.166 -0.313 -2.879) 3.122 18.349 ( 0.356 -0.973 -0.133) 1.045 18.374 ( -0.624 0.087 -1.437) 1.569 18.583 ( 0.293 2.022 1.860) 2.763 18.745 ( -1.398 0.643 -0.012) 1.539 18.785 ( -0.945 -0.353 1.101) 1.494 18.810 ( 0.135 1.672 0.694) 1.816 18.900 ( -3.515 4.224 1.153) 5.614 18.979 ( 1.997 0.931 -0.849) 2.361 19.129 ( 1.151 3.492 -0.283) 3.688 19.145 ( -1.022 5.413 -0.580) 5.539 ======================= Grid point 59 (27/56) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -14.895 4.180 4.018) 15.984 0.702 ( -13.757 4.432 7.440) 16.256 1.090 ( -5.876 1.132 -2.017) 6.315 1.200 ( 3.053 1.051 5.234) 6.149 1.232 ( 5.072 1.825 3.790) 6.589 1.254 ( 2.690 1.439 0.939) 3.192 1.318 ( -6.339 4.163 -1.837) 7.803 1.369 ( -0.577 3.639 1.704) 4.059 1.398 ( -9.676 3.593 -2.346) 10.584 1.475 ( -6.861 6.859 -0.522) 9.716 1.587 ( -4.087 -3.099 -0.484) 5.152 1.699 ( -5.183 0.168 -3.464) 6.237 1.802 ( -0.718 -2.404 -0.293) 2.527 1.822 ( -3.726 -1.335 -2.355) 4.606 1.944 ( -2.508 0.262 -0.161) 2.526 1.982 ( 3.066 0.760 2.341) 3.932 2.035 ( 0.363 -1.626 1.859) 2.496 2.123 ( -2.521 -0.707 3.810) 4.623 2.179 ( -0.735 -0.284 -3.864) 3.944 2.239 ( 1.357 0.581 2.885) 3.241 2.294 ( -1.593 -3.380 -4.531) 5.873 2.313 ( -9.263 4.524 -1.755) 10.457 2.414 ( -0.748 1.981 1.678) 2.702 2.493 ( 5.251 -1.088 -4.217) 6.822 2.510 ( 2.442 -2.249 3.129) 4.562 2.581 ( 2.940 3.784 2.606) 5.455 2.691 ( 2.865 -3.473 -5.852) 7.384 2.739 ( 3.657 -2.104 3.670) 5.592 2.805 ( 2.329 2.344 -4.759) 5.793 2.882 ( 8.054 -3.840 -3.378) 9.540 2.943 ( 3.255 1.590 0.544) 3.664 3.009 ( 7.110 0.649 -0.219) 7.143 3.059 ( 2.401 -0.734 -0.874) 2.659 3.114 ( 1.709 2.188 -0.375) 2.802 3.143 ( 2.343 3.246 -1.497) 4.274 3.237 ( 2.977 2.396 1.035) 3.959 3.246 ( 5.529 0.281 -5.416) 7.745 3.284 ( 0.659 -1.410 -1.500) 2.162 3.315 ( 1.456 0.526 -0.138) 1.555 3.350 ( 3.063 0.192 -1.208) 3.298 3.377 ( 1.459 1.148 -0.173) 1.865 3.434 ( -0.259 2.259 -1.825) 2.916 3.519 ( 0.526 -0.773 2.522) 2.689 3.548 ( 0.150 1.261 2.352) 2.673 3.584 ( -1.649 1.228 1.168) 2.364 3.622 ( -1.088 -0.654 2.744) 3.023 3.652 ( -0.671 0.500 3.326) 3.429 3.690 ( 1.023 0.999 3.197) 3.503 3.724 ( -0.582 -1.493 3.734) 4.063 3.762 ( -1.326 0.032 2.634) 2.949 3.784 ( 0.256 -0.102 0.783) 0.830 3.791 ( -1.090 0.654 -0.081) 1.274 3.855 ( 2.006 1.863 0.394) 2.766 3.861 ( 1.253 1.216 -0.651) 1.863 3.921 ( 1.135 0.104 -1.608) 1.971 3.958 ( -0.328 -0.612 -0.689) 0.978 4.010 ( 0.026 1.946 -1.268) 2.322 4.040 ( 1.483 -0.058 -0.170) 1.494 4.096 ( -1.596 1.686 1.528) 2.780 4.126 ( -1.132 -0.117 2.057) 2.351 4.153 ( -0.816 2.212 -0.448) 2.400 4.216 ( -1.286 0.518 -3.363) 3.638 4.238 ( 0.097 -0.250 -0.859) 0.900 4.251 ( 1.898 0.858 2.086) 2.948 4.270 ( 1.375 0.270 -1.772) 2.259 4.317 ( -0.319 -1.133 -0.280) 1.210 4.343 ( 0.821 2.307 -1.045) 2.663 4.381 ( -1.265 -3.011 -0.578) 3.317 4.405 ( -1.382 -2.812 1.607) 3.521 4.472 ( 1.062 0.119 -0.431) 1.152 4.516 ( 0.223 1.096 -0.363) 1.176 4.568 ( 1.610 2.447 -1.610) 3.343 4.578 ( 0.939 2.289 1.234) 2.765 4.629 ( 0.676 1.870 0.037) 1.989 4.724 ( -0.794 -1.438 1.533) 2.247 4.739 ( -1.512 -1.225 -1.398) 2.396 4.886 ( -4.512 -3.791 0.500) 5.914 4.948 ( -0.408 -1.287 1.274) 1.856 5.053 ( -3.566 -3.070 -0.188) 4.709 5.100 ( -2.578 1.992 0.047) 3.258 5.121 ( -1.463 0.515 0.041) 1.551 5.217 ( -0.388 0.677 -1.215) 1.444 5.239 ( -0.654 2.537 0.903) 2.771 5.344 ( -1.281 1.224 -0.696) 1.904 5.411 ( -2.873 -0.354 0.236) 2.904 5.498 ( 1.010 -1.058 -0.524) 1.554 5.573 ( 5.370 -2.472 -0.102) 5.913 5.593 ( 6.001 -0.786 0.460) 6.070 5.822 ( -1.499 -1.036 0.158) 1.829 5.845 ( -0.898 0.095 -0.538) 1.051 5.883 ( -0.979 -0.785 1.241) 1.765 5.962 ( 1.473 -1.893 0.068) 2.399 6.343 ( -9.093 -0.057 -0.251) 9.096 6.379 ( -8.267 1.182 -0.054) 8.351 6.531 ( -3.865 -1.024 0.356) 4.015 6.586 ( -3.615 -1.168 -1.050) 3.942 6.665 ( 1.381 -0.493 1.027) 1.790 6.679 ( 2.692 0.075 -0.132) 2.697 6.798 ( -2.202 -2.040 0.378) 3.026 6.809 ( 2.227 -0.009 -0.502) 2.283 7.026 ( 0.563 0.313 0.650) 0.915 7.095 ( 2.367 -1.002 -0.689) 2.661 7.107 ( 3.227 -1.002 0.103) 3.381 7.137 ( 3.953 -1.421 -0.741) 4.266 14.233 ( -0.102 -0.784 -0.050) 0.792 14.273 ( 1.634 -0.731 0.420) 1.838 14.282 ( -0.348 0.200 -0.307) 0.505 14.329 ( 1.374 -0.057 -0.095) 1.378 15.021 ( -1.530 0.139 -1.193) 1.945 15.036 ( 0.137 0.305 0.682) 0.760 15.112 ( -2.478 0.044 -0.334) 2.501 15.153 ( -0.558 0.239 0.538) 0.811 15.305 ( -1.284 1.613 -0.607) 2.149 15.327 ( -2.171 1.338 0.764) 2.662 15.425 ( 4.927 1.326 -0.099) 5.103 15.493 ( 5.191 0.969 0.188) 5.284 15.871 ( -5.037 -1.675 0.551) 5.337 15.896 ( -5.035 -0.698 -0.716) 5.133 16.021 ( -0.576 -1.394 0.148) 1.515 16.033 ( 0.459 -1.642 -0.675) 1.834 16.170 ( 1.812 -2.106 -1.122) 2.996 16.198 ( 3.108 -1.424 0.468) 3.451 16.275 ( 1.302 -2.600 -0.376) 2.932 16.298 ( 1.392 -2.228 0.138) 2.631 17.380 ( -0.534 0.999 0.330) 1.180 17.401 ( -0.141 1.862 -0.779) 2.023 17.598 ( -0.032 -3.122 0.726) 3.205 17.633 ( 0.575 -2.826 0.754) 2.981 17.864 ( -1.722 1.482 0.741) 2.390 17.943 ( 1.212 2.609 0.065) 2.877 17.983 ( -1.559 -0.155 -0.893) 1.803 18.000 ( 1.290 2.804 1.129) 3.287 18.098 ( -0.988 -0.380 -0.287) 1.096 18.178 ( -0.590 -1.143 -3.898) 4.105 18.363 ( 1.410 -1.438 -0.866) 2.193 18.390 ( 2.703 0.392 -0.318) 2.750 18.610 ( 0.468 1.452 4.841) 5.075 18.708 ( -1.504 1.512 -3.016) 3.694 18.768 ( -1.683 -0.913 2.881) 3.459 18.799 ( -2.490 2.401 2.722) 4.401 18.851 ( -1.572 2.240 -0.749) 2.837 19.021 ( 1.740 2.207 -0.170) 2.815 19.127 ( 2.364 6.218 -0.252) 6.657 19.196 ( 4.170 4.609 -0.104) 6.216 ======================= Grid point 60 (28/56) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -8.228 9.963 6.260) 14.358 0.562 ( -9.247 8.226 14.224) 18.855 0.936 ( -14.109 11.612 0.010) 18.273 1.005 ( -10.979 7.497 0.575) 13.307 1.177 ( -10.211 8.994 -5.880) 14.824 1.230 ( -0.640 1.499 1.022) 1.924 1.304 ( 1.685 3.145 -0.183) 3.572 1.352 ( -0.887 5.667 4.038) 7.015 1.459 ( 1.668 3.033 -0.049) 3.462 1.477 ( 6.835 -2.029 4.175) 8.262 1.484 ( -4.142 0.174 -0.026) 4.146 1.633 ( -2.109 -1.666 -1.192) 2.940 1.712 ( -2.604 2.219 -2.937) 4.508 1.790 ( -3.479 3.177 1.877) 5.071 1.901 ( -0.884 -2.004 -1.137) 2.468 1.970 ( -5.563 0.973 2.604) 6.218 2.072 ( 1.958 0.727 0.365) 2.121 2.095 ( -2.551 0.848 2.567) 3.718 2.133 ( -6.834 4.540 -2.687) 8.633 2.171 ( 1.132 4.047 -3.776) 5.650 2.247 ( 0.159 -3.929 -0.979) 4.052 2.305 ( 0.325 -0.451 2.069) 2.143 2.449 ( 4.238 1.291 -0.467) 4.455 2.526 ( 0.537 -2.536 -0.185) 2.599 2.548 ( 0.816 -4.134 0.629) 4.260 2.623 ( 0.761 4.243 0.148) 4.314 2.708 ( 4.002 -5.264 -8.379) 10.674 2.821 ( 2.991 -1.761 0.943) 3.597 2.871 ( 4.153 -1.641 -3.544) 5.701 2.924 ( 3.145 2.633 -1.733) 4.452 2.981 ( 1.918 2.911 -3.539) 4.968 3.119 ( 4.524 -0.245 0.620) 4.573 3.150 ( 4.412 -0.802 3.475) 5.673 3.180 ( 5.062 -0.447 0.438) 5.100 3.193 ( 3.254 -1.873 -1.003) 3.886 3.241 ( -1.545 -1.482 -1.776) 2.781 3.275 ( 2.746 2.258 0.470) 3.586 3.321 ( -0.063 -2.070 0.566) 2.147 3.337 ( 1.252 0.929 -0.813) 1.758 3.397 ( 0.028 1.284 0.762) 1.493 3.425 ( 4.890 1.701 -4.401) 6.796 3.455 ( 2.489 -2.462 -0.629) 3.557 3.529 ( -3.262 0.698 1.107) 3.515 3.536 ( -0.778 1.546 -2.038) 2.674 3.576 ( 1.573 0.626 1.408) 2.202 3.630 ( 0.247 -1.828 4.025) 4.427 3.652 ( 0.287 0.208 0.440) 0.565 3.709 ( -1.323 -1.757 2.731) 3.507 3.728 ( 1.153 -0.124 1.265) 1.716 3.754 ( -1.495 -0.326 0.119) 1.535 3.813 ( 4.287 -2.499 2.799) 5.697 3.817 ( 0.598 1.055 0.762) 1.432 3.850 ( 1.111 -0.458 -1.125) 1.646 3.886 ( 0.468 4.623 1.493) 4.880 3.941 ( 0.538 -0.321 -0.259) 0.678 3.990 ( 2.994 -0.830 0.174) 3.112 4.004 ( 0.439 0.924 -0.549) 1.161 4.047 ( -1.114 -1.136 -0.186) 1.602 4.065 ( -3.331 0.827 1.444) 3.724 4.112 ( -1.029 -2.930 -1.130) 3.305 4.144 ( 0.278 -0.345 -0.151) 0.468 4.169 ( -1.322 2.165 -1.119) 2.773 4.243 ( -0.983 -1.264 -1.675) 2.317 4.256 ( 0.354 -1.231 1.356) 1.866 4.284 ( -3.411 -0.201 -0.824) 3.515 4.298 ( -1.229 -0.323 0.140) 1.279 4.361 ( 3.086 0.300 0.544) 3.148 4.376 ( 1.240 0.110 1.069) 1.641 4.403 ( 0.619 0.554 -0.090) 0.836 4.475 ( -0.568 1.502 -0.694) 1.750 4.523 ( 0.222 2.599 1.021) 2.802 4.572 ( -0.966 2.595 -1.131) 2.991 4.605 ( 1.944 3.545 -2.454) 4.729 4.639 ( 0.531 2.370 -1.054) 2.647 4.689 ( -1.925 -2.645 -0.788) 3.365 4.732 ( 0.604 -1.980 3.938) 4.449 4.860 ( 0.930 -3.224 3.768) 5.046 4.917 ( -2.343 -3.028 -2.062) 4.348 5.033 ( 0.848 -1.790 1.662) 2.585 5.068 ( -1.303 1.959 0.130) 2.356 5.094 ( -1.060 0.540 0.256) 1.216 5.171 ( -2.328 3.197 -2.120) 4.488 5.216 ( -4.361 -2.485 -1.552) 5.254 5.331 ( 0.771 3.432 2.535) 4.336 5.352 ( -3.356 0.272 -0.617) 3.423 5.482 ( -2.137 1.424 -1.008) 2.759 5.679 ( 5.559 -4.643 0.351) 7.251 5.724 ( 8.006 -2.148 0.119) 8.290 5.800 ( -0.290 0.237 -0.165) 0.410 5.825 ( -0.856 0.310 -0.374) 0.985 5.882 ( -0.838 -1.827 1.875) 2.749 5.982 ( -0.267 -3.596 1.050) 3.755 6.162 ( -9.373 2.480 -0.558) 9.711 6.228 ( -8.255 3.578 0.543) 9.013 6.469 ( -2.783 -0.768 0.182) 2.892 6.518 ( -3.066 -0.254 -0.556) 3.127 6.677 ( 0.062 -0.699 0.688) 0.983 6.714 ( 1.206 -0.596 -0.821) 1.576 6.775 ( -0.845 -1.508 1.400) 2.225 6.842 ( 1.662 0.260 -1.021) 1.967 7.050 ( 1.848 0.578 0.262) 1.954 7.128 ( 1.238 -1.023 -1.283) 2.056 7.159 ( 2.085 -1.368 -0.184) 2.500 7.176 ( 0.599 -1.373 -0.753) 1.677 14.239 ( 0.684 -0.147 0.045) 0.701 14.275 ( -0.267 0.288 -0.321) 0.508 14.305 ( 1.514 -0.643 0.393) 1.691 14.350 ( 0.982 -0.240 -0.195) 1.029 14.994 ( -0.745 0.551 -0.683) 1.151 15.041 ( -0.366 0.378 1.330) 1.430 15.061 ( -2.161 0.538 -1.084) 2.477 15.131 ( -1.845 0.165 -0.070) 1.854 15.293 ( -0.388 0.682 0.112) 0.793 15.305 ( -0.456 1.279 -0.056) 1.359 15.517 ( 5.342 0.159 0.016) 5.344 15.586 ( 5.236 -0.220 -0.189) 5.244 15.775 ( -5.904 -0.536 0.611) 5.960 15.797 ( -5.466 0.345 -0.843) 5.542 16.001 ( -1.222 -0.773 0.393) 1.499 16.033 ( -0.117 -1.137 -0.454) 1.230 16.196 ( 2.012 -2.556 -0.981) 3.398 16.249 ( 1.375 -2.532 0.385) 2.907 16.306 ( 2.326 -3.685 -0.661) 4.408 16.319 ( 0.894 -2.510 -0.028) 2.665 17.372 ( -0.460 1.512 0.279) 1.605 17.401 ( 1.082 2.807 -1.389) 3.314 17.595 ( -0.287 -2.112 -0.281) 2.150 17.637 ( -1.394 -3.017 0.526) 3.365 17.842 ( -1.211 0.458 0.950) 1.605 17.942 ( -1.413 0.184 -2.463) 2.846 17.965 ( 0.530 2.531 0.270) 2.600 18.028 ( 1.428 5.284 -1.705) 5.733 18.077 ( -0.784 -1.561 0.601) 1.847 18.139 ( -1.230 0.355 -1.638) 2.078 18.401 ( 2.700 -1.659 0.630) 3.231 18.438 ( 2.450 -0.109 0.362) 2.479 18.628 ( -1.042 0.001 2.027) 2.279 18.681 ( -0.299 1.724 -1.407) 2.245 18.736 ( -2.605 1.891 0.960) 3.360 18.799 ( -0.554 -2.362 8.211) 8.562 18.834 ( -0.125 1.308 -1.184) 1.768 19.022 ( -0.428 0.579 -1.280) 1.468 19.223 ( 6.023 5.635 0.150) 8.250 19.287 ( 7.171 7.546 0.581) 10.426 ======================= Grid point 61 (29/56) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -2.224 11.919 9.628) 15.482 0.811 ( 2.187 15.587 6.276) 16.945 1.067 ( -0.895 9.751 -7.468) 12.315 1.112 ( -2.802 14.787 -2.098) 15.196 1.229 ( 0.581 8.346 -4.851) 9.671 1.281 ( 0.492 1.720 -5.392) 5.681 1.414 ( -0.782 5.073 3.703) 6.329 1.442 ( -0.544 0.480 0.188) 0.750 1.500 ( 0.814 6.557 4.633) 8.069 1.565 ( 0.368 3.500 4.998) 6.113 1.625 ( 4.512 -0.924 4.361) 6.343 1.637 ( -0.227 8.722 4.701) 9.911 1.758 ( -1.781 -0.356 -2.882) 3.406 1.780 ( -2.350 -0.488 1.392) 2.774 1.856 ( 0.224 -3.107 0.306) 3.130 1.872 ( 0.786 0.479 -3.162) 3.293 2.078 ( -0.291 1.888 0.054) 1.911 2.106 ( -2.447 2.402 0.915) 3.549 2.151 ( -0.681 2.949 -1.090) 3.217 2.225 ( 1.651 -3.663 -1.594) 4.322 2.279 ( 2.760 0.570 3.756) 4.696 2.353 ( 1.183 2.778 2.249) 3.765 2.417 ( 1.253 -4.271 -0.375) 4.467 2.507 ( -3.325 1.187 -2.289) 4.208 2.525 ( 1.051 1.328 -0.042) 1.694 2.604 ( -1.639 -2.430 -3.813) 4.809 2.703 ( 7.322 -0.184 -4.552) 8.624 2.742 ( -2.874 -3.523 -5.993) 7.522 2.866 ( -0.687 -2.530 5.200) 5.823 2.934 ( -2.780 -0.587 0.819) 2.957 3.073 ( 1.808 -2.197 -2.525) 3.804 3.125 ( 0.087 -2.150 -3.180) 3.840 3.142 ( 0.688 -0.283 0.766) 1.068 3.212 ( 1.298 -0.010 0.532) 1.403 3.229 ( -2.188 3.778 0.485) 4.393 3.280 ( -0.703 0.899 1.545) 1.920 3.295 ( 0.259 0.663 1.694) 1.837 3.351 ( -2.426 -0.909 -0.995) 2.775 3.360 ( -0.323 0.757 -2.682) 2.805 3.404 ( -1.345 0.111 -2.474) 2.818 3.431 ( 0.233 0.689 2.118) 2.239 3.454 ( 4.042 -2.709 -1.994) 5.259 3.524 ( 0.205 -0.129 -1.817) 1.833 3.545 ( 1.849 1.087 -1.847) 2.831 3.588 ( -0.500 0.047 2.377) 2.429 3.632 ( -0.287 -1.099 1.034) 1.536 3.635 ( -1.193 -0.062 -0.175) 1.208 3.681 ( -3.084 -3.135 2.633) 5.126 3.722 ( -1.327 2.340 0.853) 2.822 3.773 ( 0.899 -1.001 0.205) 1.360 3.785 ( 1.400 1.029 0.507) 1.810 3.802 ( 1.549 0.273 -0.756) 1.746 3.855 ( -0.975 0.906 -0.589) 1.456 3.903 ( 0.123 -1.329 -0.181) 1.347 3.937 ( -1.556 -2.418 0.633) 2.945 3.941 ( 1.074 -0.849 0.276) 1.397 3.983 ( -0.429 -0.351 -0.711) 0.902 4.035 ( 1.087 -0.666 -0.850) 1.532 4.059 ( -0.380 -0.588 -0.499) 0.860 4.069 ( 0.135 -2.509 -0.520) 2.565 4.117 ( -0.474 2.901 2.004) 3.558 4.165 ( -0.172 -0.238 -0.927) 0.972 4.216 ( -1.457 1.103 -0.031) 1.828 4.238 ( 0.546 -0.204 -0.757) 0.955 4.279 ( 0.603 -0.510 1.756) 1.925 4.305 ( 0.957 -0.141 0.218) 0.992 4.369 ( -1.010 -0.856 -0.097) 1.327 4.395 ( -0.119 -0.693 -1.153) 1.351 4.486 ( -0.057 2.685 0.640) 2.760 4.512 ( -1.186 1.045 0.005) 1.581 4.532 ( 2.145 -1.235 2.282) 3.366 4.585 ( -0.316 0.738 0.418) 0.905 4.622 ( 0.852 0.084 -1.035) 1.343 4.632 ( -0.139 -2.884 0.657) 2.961 4.700 ( 1.757 1.375 -0.019) 2.232 4.730 ( -1.178 -2.862 -0.475) 3.132 4.804 ( 0.160 0.234 2.420) 2.437 4.888 ( -0.854 0.434 -0.055) 0.960 5.006 ( -1.059 -1.334 0.779) 1.873 5.040 ( 1.292 -2.874 -0.118) 3.153 5.150 ( 0.111 4.153 -0.334) 4.168 5.166 ( -0.799 0.976 -1.367) 1.861 5.207 ( 1.700 4.150 1.466) 4.718 5.277 ( -1.721 1.349 -1.553) 2.682 5.451 ( 0.406 2.943 0.974) 3.126 5.496 ( -0.032 1.747 -1.047) 2.037 5.593 ( 0.269 -8.610 2.113) 8.870 5.677 ( -0.503 -7.812 -1.219) 7.923 5.810 ( -2.297 0.045 0.015) 2.297 5.835 ( 1.258 -0.313 -0.581) 1.421 5.877 ( 3.279 0.431 1.151) 3.502 5.909 ( -1.923 0.116 0.814) 2.091 6.195 ( 0.820 5.111 1.383) 5.357 6.250 ( -1.134 6.191 -0.944) 6.364 6.439 ( 0.464 -0.800 0.705) 1.163 6.477 ( -0.165 -0.939 -0.857) 1.282 6.659 ( -0.002 -1.022 0.412) 1.102 6.690 ( -0.131 -1.545 -1.292) 2.018 6.764 ( 0.141 -0.327 2.147) 2.176 6.843 ( -0.031 -1.033 -1.532) 1.848 7.087 ( -0.411 -0.149 0.117) 0.453 7.110 ( 0.841 -0.030 -1.002) 1.309 7.149 ( -0.394 -0.900 0.584) 1.143 7.159 ( -0.066 -1.393 0.010) 1.394 14.261 ( 0.267 0.708 -0.034) 0.758 14.276 ( -0.504 0.589 -0.749) 1.078 14.314 ( 0.443 -0.472 0.976) 1.171 14.346 ( -0.185 -0.674 -0.505) 0.862 15.012 ( 0.828 1.040 0.217) 1.347 15.030 ( -1.390 1.103 -0.665) 1.895 15.071 ( 1.389 -0.115 0.784) 1.599 15.103 ( -0.767 -0.402 -0.655) 1.086 15.317 ( -0.125 2.536 0.418) 2.573 15.336 ( 0.062 2.145 -0.372) 2.178 15.539 ( 0.265 -3.299 0.738) 3.391 15.577 ( -0.366 -3.948 -0.784) 4.042 15.759 ( -0.140 4.057 0.500) 4.090 15.794 ( 0.099 3.928 -1.011) 4.057 15.973 ( -0.029 -1.189 0.723) 1.392 16.001 ( 0.126 -1.557 -0.760) 1.737 16.160 ( 1.166 -3.052 0.033) 3.267 16.179 ( -1.213 -3.412 -0.921) 3.736 16.229 ( 0.451 -5.556 0.585) 5.605 16.253 ( -0.188 -4.260 -0.482) 4.291 17.408 ( -0.328 1.968 0.573) 2.076 17.463 ( 1.213 1.572 -2.401) 3.115 17.544 ( -1.508 -1.596 1.424) 2.617 17.583 ( 0.230 -1.823 -0.406) 1.881 17.855 ( -0.286 2.078 1.012) 2.329 17.918 ( 0.012 0.986 -1.968) 2.201 18.033 ( -0.407 0.193 0.265) 0.522 18.052 ( 0.303 0.990 -0.585) 1.190 18.094 ( -0.779 1.096 1.786) 2.236 18.172 ( 1.153 4.148 -2.275) 4.870 18.385 ( 0.503 -3.732 1.609) 4.095 18.434 ( 0.100 -2.891 -0.331) 2.912 18.653 ( 1.040 2.276 1.627) 2.985 18.692 ( -1.414 2.094 -0.877) 2.674 18.771 ( -0.012 1.775 1.386) 2.252 18.824 ( -0.624 1.682 1.369) 2.257 18.861 ( 0.905 2.085 1.267) 2.602 19.004 ( -0.346 -0.164 -2.832) 2.858 19.365 ( 0.379 3.784 1.644) 4.144 19.434 ( -0.359 1.650 -1.355) 2.165 ======================= Grid point 62 (30/56) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.864 11.944 6.877) 13.810 0.893 ( 3.482 11.061 9.748) 15.149 0.952 ( -3.564 10.097 -6.593) 12.575 1.145 ( 5.132 6.501 -6.988) 10.837 1.268 ( 0.997 2.650 -0.934) 2.982 1.305 ( 1.647 3.878 -2.582) 4.941 1.386 ( -0.282 7.515 2.614) 7.961 1.433 ( -0.809 4.571 0.981) 4.745 1.517 ( -0.676 4.793 4.928) 6.908 1.583 ( -1.649 0.260 2.746) 3.213 1.635 ( -2.192 -0.587 0.037) 2.270 1.678 ( 1.235 4.693 1.163) 4.990 1.735 ( 0.178 -3.325 -2.624) 4.239 1.802 ( 4.782 1.278 2.217) 5.424 1.880 ( 2.311 2.949 -0.889) 3.850 1.935 ( 4.968 -3.894 1.353) 6.456 2.056 ( -1.331 1.971 0.415) 2.415 2.082 ( -1.654 0.598 2.047) 2.699 2.169 ( 2.702 2.376 -0.671) 3.660 2.246 ( 1.040 -3.379 0.530) 3.575 2.306 ( -1.986 2.353 0.540) 3.126 2.346 ( -1.499 -3.147 -1.765) 3.907 2.431 ( -3.429 1.441 2.305) 4.376 2.446 ( 1.708 -0.404 -2.246) 2.850 2.537 ( 1.242 5.585 -1.776) 5.990 2.570 ( -1.838 -2.795 -0.238) 3.354 2.672 ( 0.432 -1.955 -4.812) 5.212 2.780 ( 1.358 -3.539 -5.321) 6.533 2.854 ( -0.219 -2.974 2.606) 3.960 2.933 ( 0.390 3.723 2.679) 4.603 3.020 ( -8.879 -3.661 -3.958) 10.388 3.054 ( -4.723 -3.095 -0.475) 5.667 3.123 ( -4.808 -3.625 -1.341) 6.169 3.167 ( -3.713 4.041 1.949) 5.824 3.200 ( -1.915 2.343 -0.726) 3.112 3.227 ( -1.473 -0.276 -0.809) 1.703 3.283 ( -0.850 1.627 2.280) 2.927 3.311 ( -1.970 0.100 -1.212) 2.315 3.350 ( -1.342 -1.275 -0.300) 1.876 3.382 ( 2.135 0.190 0.336) 2.170 3.441 ( -0.598 -0.233 -2.943) 3.012 3.454 ( -0.193 2.171 -1.718) 2.775 3.521 ( -0.665 -0.625 1.083) 1.416 3.563 ( 1.013 3.035 -1.386) 3.487 3.603 ( 0.275 -0.832 1.972) 2.158 3.625 ( 1.233 0.056 1.638) 2.050 3.645 ( 0.568 0.116 0.685) 0.897 3.689 ( 0.689 0.236 1.917) 2.051 3.717 ( -0.569 1.511 0.781) 1.793 3.766 ( -0.207 2.010 0.702) 2.139 3.797 ( 0.850 1.810 0.137) 2.005 3.833 ( -0.235 0.472 -1.600) 1.685 3.879 ( 0.447 0.659 1.621) 1.806 3.904 ( -1.604 -0.725 0.118) 1.764 3.922 ( 0.737 -0.881 -1.009) 1.529 3.954 ( 0.848 -2.120 0.092) 2.285 3.993 ( 3.699 -2.101 0.450) 4.277 4.033 ( -0.272 -2.087 -2.052) 2.939 4.062 ( 0.335 -0.339 -0.173) 0.507 4.096 ( 1.316 1.365 -0.234) 1.911 4.148 ( 2.971 -1.985 0.699) 3.641 4.164 ( -0.141 1.817 0.015) 1.823 4.198 ( 1.959 0.348 0.528) 2.059 4.281 ( 2.663 -0.214 -0.249) 2.683 4.286 ( -1.295 0.001 0.236) 1.316 4.305 ( -2.399 -1.764 0.223) 2.986 4.330 ( 0.976 -0.980 -0.459) 1.457 4.407 ( 1.131 -0.751 0.022) 1.357 4.460 ( -2.938 3.099 0.503) 4.300 4.482 ( -2.242 3.062 0.341) 3.810 4.550 ( -1.175 0.775 1.214) 1.859 4.590 ( -0.092 0.648 -0.268) 0.707 4.625 ( 1.347 -3.631 -1.471) 4.143 4.651 ( 0.285 -0.171 0.525) 0.622 4.714 ( 0.443 1.049 -0.360) 1.194 4.761 ( 3.416 -1.553 0.625) 3.804 4.782 ( -2.294 -0.320 1.282) 2.647 4.877 ( 0.130 0.493 0.160) 0.535 5.015 ( 1.554 -1.485 1.424) 2.579 5.077 ( 2.012 -1.805 -0.871) 2.840 5.147 ( -0.414 3.829 0.647) 3.906 5.178 ( 2.410 -0.336 -1.929) 3.106 5.204 ( -0.562 2.485 -0.018) 2.548 5.307 ( 4.031 0.964 0.295) 4.155 5.446 ( -0.834 2.443 0.416) 2.615 5.492 ( -0.802 0.703 -0.517) 1.185 5.583 ( -2.059 -6.662 1.875) 7.220 5.622 ( -4.550 -6.111 -1.243) 7.720 5.784 ( -0.412 -0.020 0.213) 0.464 5.848 ( -0.401 -0.804 -0.278) 0.941 5.883 ( -0.174 0.270 0.745) 0.811 5.922 ( 0.474 -1.754 0.296) 1.840 6.264 ( 5.197 3.843 0.717) 6.503 6.284 ( 5.742 5.092 -0.472) 7.689 6.472 ( 2.539 -0.909 0.801) 2.813 6.492 ( 2.330 -0.974 -1.073) 2.744 6.665 ( 0.293 -0.767 0.527) 0.976 6.687 ( 0.497 -1.248 -1.055) 1.708 6.770 ( -0.745 -0.310 2.020) 2.175 6.823 ( -1.080 -0.997 -1.532) 2.123 7.054 ( -2.335 0.410 -0.000) 2.371 7.114 ( -0.646 -0.703 -0.972) 1.362 7.126 ( -2.394 -1.544 0.295) 2.864 7.144 ( -1.741 -1.076 0.372) 2.080 14.251 ( -1.125 0.286 0.252) 1.188 14.258 ( -1.063 0.327 -0.475) 1.209 14.318 ( -0.571 -0.399 0.800) 1.061 14.331 ( -0.953 -0.531 -0.716) 1.305 15.013 ( -0.028 1.001 -0.586) 1.160 15.039 ( 1.557 0.533 0.760) 1.812 15.096 ( 0.558 -0.141 -1.205) 1.336 15.108 ( 2.136 -0.135 0.646) 2.236 15.324 ( 0.743 2.849 0.049) 2.945 15.342 ( 0.956 2.169 -0.013) 2.370 15.524 ( -2.331 -1.729 0.966) 3.059 15.544 ( -2.570 -1.447 -0.956) 3.100 15.786 ( 2.605 2.320 0.512) 3.526 15.815 ( 2.721 1.371 -0.839) 3.160 15.976 ( -0.123 -1.899 0.090) 1.905 16.006 ( 0.641 -1.629 -0.185) 1.761 16.143 ( -1.980 -2.695 -0.955) 3.478 16.180 ( 0.683 -2.929 0.554) 3.058 16.231 ( -0.539 -4.759 0.435) 4.809 16.238 ( -1.033 -3.906 -0.808) 4.120 17.403 ( -0.434 1.643 0.481) 1.766 17.458 ( -0.149 2.147 -2.016) 2.948 17.527 ( -1.102 -1.898 1.442) 2.626 17.583 ( -0.184 -2.208 -0.131) 2.220 17.869 ( 1.317 2.116 0.875) 2.641 17.927 ( 1.888 1.274 -1.403) 2.675 18.023 ( -0.830 1.965 -0.215) 2.144 18.053 ( -0.119 1.501 0.365) 1.550 18.091 ( -0.474 -0.621 1.120) 1.366 18.181 ( 1.178 3.146 -1.821) 3.822 18.378 ( -2.138 -3.725 1.239) 4.470 18.415 ( -1.541 -2.606 -0.953) 3.174 18.654 ( -1.199 3.295 -1.593) 3.852 18.708 ( 2.667 1.749 3.127) 4.467 18.777 ( -0.081 1.708 0.805) 1.890 18.829 ( 0.580 0.289 -0.408) 0.766 18.900 ( 2.192 2.228 2.989) 4.325 18.992 ( 0.960 0.341 -3.127) 3.289 19.338 ( -4.650 4.093 0.819) 6.249 19.378 ( -4.093 3.116 -0.313) 5.153 ======================= Grid point 63 (31/56) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 8.225 6.767 5.367) 11.927 0.924 ( 4.502 5.801 -5.595) 9.231 1.035 ( 5.954 8.486 9.060) 13.768 1.168 ( -1.464 4.588 -1.702) 5.108 1.210 ( -6.248 3.132 -2.270) 7.348 1.295 ( -0.985 1.577 3.169) 3.674 1.302 ( -4.289 3.114 -3.131) 6.156 1.486 ( -0.045 -0.421 0.449) 0.617 1.527 ( -1.772 -2.161 -0.437) 2.828 1.589 ( 1.157 -2.159 2.364) 3.404 1.627 ( 2.765 -0.874 0.971) 3.058 1.682 ( -1.126 2.228 -1.854) 3.109 1.773 ( 6.278 -0.820 0.089) 6.332 1.866 ( 0.718 1.000 -0.782) 1.459 1.892 ( -0.175 1.497 -0.617) 1.629 1.990 ( 0.085 0.433 1.212) 1.289 2.078 ( 0.792 2.945 1.656) 3.470 2.089 ( 3.188 -4.169 1.765) 5.537 2.209 ( 1.619 -0.723 -1.858) 2.568 2.255 ( -1.133 0.345 0.390) 1.247 2.284 ( -0.172 0.054 0.194) 0.265 2.286 ( -2.825 -5.224 -1.314) 6.082 2.349 ( -4.220 1.020 -1.389) 4.559 2.482 ( -0.286 -1.993 0.115) 2.017 2.541 ( -0.151 -2.900 3.853) 4.825 2.558 ( 2.621 7.750 -4.553) 9.363 2.671 ( -1.597 -2.785 -1.002) 3.363 2.740 ( -1.819 0.686 1.122) 2.244 2.831 ( -6.367 -2.222 -1.745) 6.966 2.857 ( -6.357 -1.798 -0.226) 6.610 2.922 ( 1.229 0.548 -5.597) 5.757 2.975 ( 2.322 4.759 2.696) 5.942 3.095 ( 0.520 2.865 -2.254) 3.682 3.136 ( -1.040 -1.301 1.872) 2.506 3.184 ( -2.964 4.087 -0.837) 5.117 3.190 ( 0.368 -1.213 -1.366) 1.864 3.241 ( -3.243 0.825 0.851) 3.453 3.312 ( -0.068 1.001 -1.070) 1.467 3.344 ( 0.777 0.967 2.513) 2.803 3.401 ( 0.655 1.651 -2.866) 3.371 3.408 ( -0.808 1.394 -2.341) 2.842 3.471 ( 2.554 0.427 -0.125) 2.592 3.519 ( -1.179 1.486 1.853) 2.652 3.574 ( -2.410 -3.577 3.416) 5.502 3.591 ( 2.413 1.520 -0.695) 2.936 3.653 ( -0.116 0.641 -1.020) 1.211 3.669 ( -1.725 4.239 2.065) 5.021 3.701 ( 1.086 3.118 3.276) 4.651 3.713 ( -0.080 2.168 1.828) 2.837 3.768 ( 0.128 1.891 1.057) 2.170 3.811 ( 0.772 2.123 -1.711) 2.834 3.827 ( 1.036 -0.787 -2.148) 2.511 3.842 ( -4.221 1.948 2.371) 5.218 3.876 ( -0.810 0.939 -0.852) 1.505 3.920 ( -0.727 0.365 1.434) 1.648 3.994 ( 0.835 -1.358 -0.515) 1.676 4.006 ( -0.819 -2.349 -1.643) 2.981 4.048 ( 0.231 0.244 -0.331) 0.472 4.074 ( 3.248 -0.280 0.591) 3.313 4.118 ( 1.392 1.666 0.771) 2.304 4.164 ( 0.629 -0.137 0.366) 0.741 4.195 ( 2.495 -2.820 -1.686) 4.125 4.229 ( -1.732 -3.689 -0.203) 4.080 4.275 ( -1.252 1.015 0.697) 1.756 4.297 ( 1.419 1.531 0.167) 2.094 4.300 ( 1.717 -2.700 -0.195) 3.206 4.358 ( 1.641 1.306 -0.550) 2.168 4.389 ( -3.070 3.753 0.021) 4.849 4.430 ( 0.616 -1.267 -1.059) 1.762 4.465 ( -0.598 2.715 0.662) 2.857 4.527 ( -1.577 0.942 1.160) 2.173 4.574 ( -1.135 1.253 -1.017) 1.973 4.631 ( 0.047 -2.029 -0.531) 2.098 4.649 ( -0.102 1.064 -0.265) 1.102 4.718 ( -0.613 -0.417 -0.735) 1.044 4.741 ( -0.296 1.320 1.329) 1.897 4.859 ( 3.856 -0.727 0.931) 4.033 4.901 ( 2.906 -1.916 0.671) 3.545 5.053 ( 0.862 -2.488 0.409) 2.665 5.089 ( 0.099 -1.023 -1.267) 1.632 5.144 ( 0.555 2.321 0.382) 2.417 5.173 ( -0.121 0.958 -0.101) 0.971 5.265 ( 4.451 0.268 -0.123) 4.460 5.365 ( 2.044 -0.874 0.325) 2.246 5.431 ( -1.740 2.036 -0.562) 2.736 5.466 ( -0.324 -0.785 0.482) 0.977 5.518 ( -6.055 -4.223 -0.282) 7.388 5.562 ( -1.440 -2.387 0.143) 2.791 5.790 ( 0.496 -1.059 0.625) 1.326 5.841 ( 0.310 -0.933 -0.673) 1.191 5.886 ( -0.378 -1.624 0.933) 1.911 5.909 ( -1.384 -2.657 -0.492) 3.036 6.370 ( 6.227 2.296 -0.207) 6.640 6.408 ( 6.952 2.103 0.197) 7.266 6.523 ( 2.062 -0.867 0.846) 2.391 6.536 ( 3.259 -1.591 -1.025) 3.768 6.668 ( -0.452 0.056 0.186) 0.492 6.687 ( -0.760 0.024 -0.328) 0.828 6.767 ( -0.069 -0.926 1.052) 1.403 6.792 ( -1.541 -1.438 -0.817) 2.260 7.022 ( -1.064 0.104 0.134) 1.078 7.078 ( -2.472 -1.761 -0.383) 3.059 7.084 ( -2.012 -0.498 -0.183) 2.080 7.102 ( -3.069 -1.088 0.255) 3.266 14.234 ( -0.730 -0.467 -0.093) 0.871 14.238 ( -1.030 -0.263 0.256) 1.093 14.307 ( -0.813 -0.205 0.346) 0.907 14.311 ( -0.720 -0.323 -0.537) 0.955 15.018 ( 0.737 0.677 -0.382) 1.071 15.059 ( 0.059 -0.646 0.093) 0.656 15.111 ( 1.646 0.711 -0.445) 1.848 15.144 ( 1.248 -0.207 0.467) 1.348 15.344 ( 1.765 2.964 -0.237) 3.458 15.373 ( 2.271 2.611 0.326) 3.476 15.478 ( -3.089 0.971 0.565) 3.287 15.486 ( -3.370 1.292 -0.486) 3.642 15.844 ( 3.420 -0.491 0.430) 3.482 15.873 ( 3.984 -1.436 -0.482) 4.262 15.965 ( -1.125 -2.974 -0.215) 3.187 16.000 ( -1.688 -2.977 -0.241) 3.431 16.115 ( -0.402 -0.635 -0.235) 0.787 16.188 ( -0.328 -2.332 0.056) 2.356 16.214 ( -0.860 -3.221 -0.569) 3.382 16.222 ( -0.444 -3.434 0.254) 3.471 17.401 ( -0.122 1.210 0.476) 1.305 17.446 ( -0.039 1.880 -1.393) 2.340 17.519 ( -0.672 -2.492 1.454) 2.962 17.575 ( -0.599 -2.736 -0.168) 2.806 17.907 ( 2.387 2.040 0.409) 3.167 17.961 ( 2.279 1.512 -0.551) 2.790 17.999 ( -1.709 3.832 -0.026) 4.196 18.053 ( -0.739 1.771 2.010) 2.779 18.089 ( 0.151 -1.405 -0.370) 1.461 18.194 ( 1.265 1.676 -1.781) 2.754 18.334 ( -2.828 -3.262 0.431) 4.339 18.381 ( -1.524 -2.100 -1.002) 2.781 18.635 ( -0.091 3.440 -0.843) 3.543 18.765 ( 0.661 1.278 4.095) 4.340 18.778 ( 0.490 0.471 -1.205) 1.383 18.833 ( 0.339 0.807 -0.957) 1.297 18.961 ( 3.086 2.554 1.944) 4.453 19.007 ( 1.724 2.079 -1.299) 2.997 19.241 ( -5.036 4.890 -0.142) 7.021 19.302 ( -4.555 3.289 0.061) 5.619 ======================= Grid point 64 (32/56) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -5.475 6.883 0.730) 8.825 1.013 ( -12.131 4.200 -0.207) 12.839 1.037 ( 8.756 0.773 -1.074) 8.855 1.151 ( 5.328 3.785 3.754) 7.537 1.193 ( 5.034 6.795 6.173) 10.470 1.257 ( -4.947 1.486 3.715) 6.363 1.318 ( 6.368 0.144 -6.111) 8.827 1.439 ( -2.328 -1.292 -2.837) 3.891 1.485 ( -2.999 -5.365 0.410) 6.160 1.614 ( -2.134 1.289 4.555) 5.193 1.641 ( 0.135 -4.170 -3.249) 5.288 1.697 ( 2.248 0.796 0.035) 2.385 1.797 ( -2.081 -2.645 -0.442) 3.395 1.890 ( 0.274 -0.158 -0.733) 0.799 1.938 ( 2.484 2.635 0.678) 3.684 1.987 ( 1.188 2.531 -1.505) 3.175 2.067 ( -3.548 1.142 0.550) 3.767 2.117 ( 0.154 -0.386 1.672) 1.723 2.140 ( -4.324 -1.533 -1.246) 4.754 2.245 ( -0.929 -1.526 -1.557) 2.370 2.253 ( -1.294 -5.094 -2.945) 6.025 2.295 ( 2.612 -4.397 2.280) 5.600 2.339 ( 2.739 -3.450 -0.466) 4.430 2.460 ( -0.464 -1.006 -0.775) 1.352 2.563 ( 0.288 -2.591 3.250) 4.167 2.597 ( 2.828 5.954 -0.423) 6.605 2.646 ( -4.292 -0.758 0.257) 4.366 2.695 ( 1.547 0.924 -0.984) 2.052 2.762 ( 0.561 -1.541 -0.852) 1.848 2.806 ( -0.096 3.318 -0.933) 3.448 2.978 ( 5.239 4.356 -2.695) 7.327 3.021 ( -4.433 2.925 1.875) 5.633 3.069 ( 2.406 6.058 -1.293) 6.645 3.111 ( -0.745 0.588 -0.148) 0.960 3.182 ( 2.971 0.314 0.418) 3.017 3.200 ( -0.998 -0.089 -0.653) 1.196 3.228 ( 3.750 0.393 -1.034) 3.910 3.280 ( -1.749 0.189 -2.432) 3.001 3.362 ( 0.250 0.678 -0.709) 1.012 3.396 ( 0.258 1.495 -3.946) 4.228 3.401 ( -0.011 4.799 2.928) 5.622 3.498 ( -1.926 0.647 2.942) 3.575 3.519 ( 1.088 2.449 1.197) 2.934 3.568 ( -0.168 -0.238 2.060) 2.081 3.598 ( -1.065 1.137 -0.843) 1.771 3.620 ( -2.073 1.691 -1.632) 3.134 3.658 ( 0.273 1.280 2.873) 3.157 3.715 ( -0.793 2.056 1.275) 2.546 3.753 ( -0.286 2.763 0.503) 2.823 3.759 ( 0.571 2.031 2.040) 2.935 3.813 ( -0.583 1.636 3.111) 3.563 3.821 ( 1.553 1.375 0.449) 2.122 3.838 ( 0.634 1.308 -1.466) 2.065 3.870 ( 0.777 0.403 -0.448) 0.984 3.899 ( -1.749 1.095 0.611) 2.152 3.973 ( -0.995 -1.671 -2.158) 2.905 4.007 ( 0.727 -1.326 -0.511) 1.596 4.050 ( 0.465 0.719 -0.797) 1.170 4.120 ( 0.517 -0.524 1.580) 1.743 4.150 ( 0.881 0.939 1.354) 1.869 4.174 ( -0.232 -0.977 0.600) 1.170 4.205 ( -1.747 -2.496 -0.547) 3.095 4.226 ( 2.213 -3.961 -0.476) 4.562 4.250 ( 0.985 -1.259 -2.545) 3.005 4.275 ( -1.087 2.755 0.447) 2.995 4.316 ( -2.434 2.116 0.029) 3.225 4.367 ( 1.938 1.437 -0.437) 2.451 4.386 ( -0.648 0.833 -1.179) 1.583 4.426 ( -1.119 1.787 -0.435) 2.153 4.448 ( 0.579 1.067 -1.045) 1.602 4.517 ( -1.051 0.469 1.913) 2.232 4.565 ( 1.182 0.684 -0.589) 1.487 4.630 ( -0.225 0.218 -0.004) 0.313 4.642 ( -0.217 0.082 -0.567) 0.613 4.716 ( 0.559 -1.743 0.779) 1.989 4.741 ( -0.886 2.306 0.252) 2.483 4.900 ( 0.603 -1.030 1.178) 1.677 4.932 ( -1.334 -1.311 -0.523) 1.942 5.055 ( -0.816 -2.524 0.139) 2.656 5.083 ( 1.246 -2.326 -0.583) 2.703 5.156 ( -0.833 0.781 1.067) 1.563 5.183 ( 1.369 0.713 0.263) 1.566 5.333 ( 1.277 2.200 -0.234) 2.554 5.366 ( -0.982 0.975 -0.708) 1.554 5.406 ( 1.549 -1.825 0.056) 2.394 5.435 ( -2.813 -3.091 -0.457) 4.204 5.491 ( 0.830 -0.765 0.930) 1.462 5.535 ( -0.117 -1.050 -0.737) 1.288 5.799 ( -0.052 -1.482 0.846) 1.707 5.845 ( 0.193 -1.401 -0.626) 1.547 5.877 ( -1.261 -1.794 0.359) 2.222 5.892 ( 0.597 -3.069 -0.366) 3.148 6.438 ( -0.071 0.994 0.544) 1.135 6.476 ( -0.002 0.472 -1.299) 1.383 6.549 ( -0.276 -1.314 1.223) 1.816 6.577 ( 0.883 -2.558 -0.148) 2.710 6.654 ( 0.462 1.369 -0.196) 1.458 6.660 ( -1.041 1.867 -0.479) 2.191 6.770 ( -0.399 -2.262 0.332) 2.321 6.780 ( 0.395 -1.171 -0.091) 1.239 7.021 ( 0.382 -0.330 0.581) 0.770 7.050 ( -0.192 -1.241 -0.591) 1.388 7.060 ( -0.401 -0.564 0.030) 0.693 7.067 ( 0.488 -1.045 -0.070) 1.156 14.224 ( -0.567 -0.646 0.241) 0.893 14.232 ( 0.622 -0.783 -0.086) 1.004 14.295 ( -0.649 0.036 0.154) 0.668 14.307 ( 0.581 -0.296 -0.337) 0.734 15.030 ( 0.724 0.261 -0.024) 0.770 15.047 ( -0.917 -0.386 -0.704) 1.219 15.134 ( 0.251 0.357 0.558) 0.709 15.155 ( 0.170 -0.080 0.021) 0.189 15.379 ( 1.031 2.615 0.177) 2.816 15.398 ( -0.263 2.876 -0.669) 2.965 15.428 ( -2.557 2.201 0.990) 3.516 15.457 ( 1.899 2.295 -0.232) 2.988 15.887 ( -0.456 -1.710 0.684) 1.897 15.930 ( 0.955 -2.317 -1.238) 2.796 15.951 ( 1.367 -3.340 0.171) 3.613 15.956 ( -1.539 -3.421 -0.054) 3.751 16.120 ( 0.485 -0.369 0.495) 0.785 16.165 ( -1.003 -1.633 -1.583) 2.485 16.210 ( -0.037 -2.904 0.562) 2.958 16.225 ( 0.660 -2.791 0.037) 2.868 17.403 ( -0.025 1.051 0.554) 1.188 17.439 ( 0.061 1.377 -1.255) 1.865 17.523 ( 0.131 -2.703 1.679) 3.185 17.566 ( 0.001 -2.931 -0.447) 2.965 17.944 ( -0.269 1.833 0.101) 1.855 17.959 ( 0.169 2.922 -0.609) 2.989 18.007 ( 1.379 2.412 1.341) 3.085 18.042 ( -1.221 2.619 1.392) 3.208 18.098 ( 0.685 -1.152 0.284) 1.370 18.191 ( -0.360 0.628 -2.786) 2.879 18.306 ( -0.543 -3.159 0.746) 3.291 18.360 ( 0.327 -1.636 -1.549) 2.277 18.640 ( 0.537 3.400 0.849) 3.545 18.766 ( -0.594 0.463 -2.345) 2.463 18.776 ( -1.378 0.540 2.696) 3.075 18.837 ( 0.536 0.750 -0.422) 1.014 18.995 ( -3.430 4.638 1.032) 5.860 19.033 ( 3.651 3.345 0.460) 4.973 19.202 ( 0.530 3.468 0.067) 3.509 19.238 ( -0.998 3.462 -0.942) 3.724 ======================= Grid point 65 (33/56) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -9.882 8.816 1.436) 13.321 0.856 ( -8.595 9.969 4.606) 13.945 1.131 ( -4.934 3.080 -1.069) 5.914 1.199 ( 7.969 -2.341 1.434) 8.428 1.279 ( 5.851 3.278 0.107) 6.708 1.324 ( 2.324 4.850 1.118) 5.493 1.394 ( 1.052 2.535 -2.970) 4.044 1.405 ( 0.667 0.245 0.521) 0.881 1.457 ( 1.771 -0.333 1.218) 2.175 1.559 ( -7.559 0.847 -1.955) 7.854 1.583 ( -2.737 3.297 3.885) 5.784 1.703 ( -3.073 1.884 -0.928) 3.722 1.783 ( -0.468 -0.912 0.243) 1.053 1.819 ( -3.809 -0.523 -1.776) 4.235 1.908 ( -1.772 -2.270 -0.418) 2.910 2.006 ( -1.662 2.451 -0.564) 3.014 2.044 ( -0.385 2.416 4.161) 4.827 2.131 ( 1.478 -0.821 1.246) 2.100 2.134 ( 1.950 0.133 -0.055) 1.955 2.207 ( -0.872 -3.352 -3.277) 4.768 2.244 ( 2.471 -1.202 -0.168) 2.753 2.339 ( -2.193 -3.743 -0.483) 4.365 2.386 ( 2.202 -3.722 -0.981) 4.434 2.445 ( -0.662 -3.368 0.065) 3.433 2.540 ( -2.617 3.184 -1.359) 4.339 2.632 ( 2.362 -2.695 -0.215) 3.590 2.641 ( 3.061 3.314 2.704) 5.260 2.787 ( 5.860 -1.423 -0.334) 6.039 2.790 ( 4.800 2.079 -1.313) 5.393 2.860 ( 5.760 -0.187 -1.970) 6.090 2.920 ( -3.143 2.004 -0.955) 3.848 3.048 ( 1.784 1.863 1.087) 2.799 3.078 ( 1.257 1.240 -0.908) 1.986 3.126 ( 0.181 0.957 -0.169) 0.989 3.210 ( 2.908 -2.527 -4.112) 5.635 3.239 ( -1.272 1.780 -0.443) 2.232 3.270 ( 5.039 0.210 1.007) 5.143 3.275 ( 2.252 2.008 -1.009) 3.182 3.358 ( -1.721 3.069 -2.102) 4.098 3.389 ( 1.133 4.028 -1.260) 4.369 3.409 ( 1.688 0.608 2.540) 3.110 3.478 ( -1.280 2.431 -0.816) 2.866 3.515 ( -1.465 0.302 1.850) 2.379 3.576 ( -1.675 -1.384 1.754) 2.792 3.583 ( -0.045 2.153 -1.136) 2.434 3.604 ( 0.696 -0.014 2.003) 2.120 3.673 ( -0.393 1.485 1.839) 2.396 3.707 ( -0.387 1.471 1.400) 2.067 3.750 ( -0.631 2.457 0.002) 2.536 3.770 ( -0.747 2.430 1.623) 3.016 3.811 ( -1.340 0.887 -0.312) 1.637 3.820 ( -1.592 -0.056 0.076) 1.595 3.844 ( 1.420 1.469 0.234) 2.057 3.910 ( 2.061 1.394 1.167) 2.748 3.917 ( 3.700 0.134 1.305) 3.925 3.948 ( -0.344 -1.395 -2.102) 2.546 4.006 ( -1.045 -1.447 -0.911) 2.004 4.059 ( 1.255 -0.015 -1.145) 1.699 4.101 ( -3.397 -1.486 1.949) 4.189 4.138 ( -2.032 0.466 0.252) 2.100 4.164 ( -1.316 0.007 0.048) 1.317 4.183 ( -0.962 -2.628 -1.396) 3.128 4.228 ( -0.414 -0.456 -1.150) 1.304 4.271 ( 2.284 -1.757 0.510) 2.926 4.276 ( -0.216 -0.522 0.506) 0.759 4.316 ( 0.086 1.622 0.460) 1.688 4.343 ( -0.961 1.772 -1.770) 2.682 4.382 ( -1.607 1.216 1.153) 2.321 4.400 ( 1.420 2.794 -1.065) 3.310 4.484 ( 2.374 1.590 -0.101) 2.859 4.509 ( -0.512 -1.488 1.290) 2.035 4.587 ( 1.318 -0.522 -1.121) 1.807 4.626 ( -0.097 -0.121 -0.628) 0.647 4.640 ( 0.104 -0.089 0.104) 0.172 4.705 ( -2.388 -0.764 -0.211) 2.516 4.739 ( 0.701 1.248 1.065) 1.784 4.851 ( -3.851 0.766 0.849) 4.017 4.933 ( -0.719 -0.513 0.858) 1.232 5.008 ( -2.654 -1.098 -0.332) 2.891 5.101 ( -0.506 -2.559 -0.758) 2.717 5.137 ( -1.149 1.796 0.319) 2.156 5.207 ( 0.539 0.282 0.142) 0.624 5.278 ( -3.229 0.302 -0.410) 3.269 5.374 ( -2.506 0.153 0.588) 2.578 5.417 ( 0.823 2.361 -0.770) 2.617 5.458 ( 3.681 -2.991 0.461) 4.766 5.495 ( 1.965 -4.246 -0.255) 4.686 5.578 ( 3.612 -1.312 0.110) 3.845 5.799 ( -0.345 -0.907 0.947) 1.356 5.841 ( -0.163 -0.628 -1.190) 1.356 5.860 ( -0.678 -1.423 0.511) 1.657 5.911 ( 1.132 -3.022 0.193) 3.233 6.359 ( -7.343 1.808 -0.125) 7.563 6.421 ( -5.349 2.818 0.144) 6.048 6.507 ( -3.470 -1.442 0.176) 3.761 6.556 ( -2.635 -1.693 -0.390) 3.156 6.662 ( 0.291 0.290 0.162) 0.442 6.688 ( 2.261 1.027 -0.308) 2.502 6.753 ( -1.751 -2.343 0.650) 2.996 6.803 ( 2.415 -0.730 -0.389) 2.553 7.030 ( 0.863 0.091 0.194) 0.890 7.069 ( 2.228 -1.441 -0.374) 2.680 7.086 ( 2.761 -0.885 -0.138) 2.903 7.107 ( 3.012 -1.496 0.139) 3.366 14.223 ( 0.537 -0.192 0.036) 0.571 14.255 ( 1.812 -0.935 0.204) 2.049 14.288 ( -0.190 0.378 -0.136) 0.444 14.323 ( 1.188 -0.494 -0.132) 1.293 15.025 ( -1.013 0.285 -0.743) 1.288 15.041 ( 0.333 0.056 0.437) 0.552 15.116 ( -2.030 0.390 -0.187) 2.076 15.154 ( -0.714 -0.240 0.211) 0.783 15.353 ( -1.884 3.089 -0.542) 3.658 15.367 ( -2.283 2.687 0.641) 3.584 15.455 ( 3.239 1.322 0.109) 3.501 15.511 ( 3.420 0.437 -0.042) 3.448 15.841 ( -3.653 -0.992 0.322) 3.799 15.881 ( -3.522 -0.460 -0.389) 3.573 15.973 ( 1.219 -3.170 -0.286) 3.408 15.990 ( 1.597 -2.528 -0.188) 2.996 16.128 ( 0.333 -1.737 -0.355) 1.804 16.160 ( 1.235 -2.076 0.033) 2.416 16.212 ( 0.136 -3.181 -0.128) 3.187 16.240 ( 0.881 -3.325 -0.072) 3.441 17.405 ( -0.053 1.368 0.657) 1.519 17.436 ( 0.491 1.434 -1.265) 1.974 17.539 ( 0.608 -2.519 1.172) 2.844 17.572 ( 0.749 -2.933 -0.224) 3.036 17.904 ( -2.595 2.533 0.286) 3.638 17.973 ( -0.430 0.458 -0.759) 0.986 18.018 ( 0.522 4.122 0.457) 4.180 18.050 ( 0.333 0.605 1.681) 1.818 18.105 ( -0.386 0.244 0.809) 0.929 18.167 ( 0.027 1.267 -3.057) 3.310 18.315 ( 1.218 -3.187 0.294) 3.424 18.379 ( 2.253 -1.620 -0.920) 2.924 18.655 ( -0.028 2.707 1.976) 3.351 18.728 ( -1.284 0.153 -2.810) 3.094 18.771 ( -0.990 1.631 2.480) 3.129 18.842 ( 0.026 1.201 0.366) 1.256 18.920 ( -4.587 4.491 0.326) 6.428 19.062 ( -0.832 1.364 -0.172) 1.608 19.236 ( 4.352 4.589 -0.087) 6.325 19.289 ( 5.161 3.675 0.006) 6.336 ======================= Grid point 66 (34/56) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -0.204 14.361 5.435) 15.357 0.767 ( -4.527 12.589 7.287) 15.234 1.080 ( 1.396 6.655 -5.879) 8.988 1.268 ( -10.424 11.587 -2.011) 15.715 1.286 ( -0.467 4.098 -2.993) 5.096 1.311 ( 0.235 0.443 -4.056) 4.087 1.391 ( -1.123 4.749 4.953) 6.953 1.401 ( 5.068 1.382 0.142) 5.255 1.483 ( -1.316 2.151 2.854) 3.808 1.534 ( 2.873 5.068 4.022) 7.079 1.565 ( -2.841 3.539 1.637) 4.824 1.623 ( -1.584 2.907 1.538) 3.650 1.755 ( 0.613 0.785 -1.760) 2.023 1.820 ( 0.375 1.361 1.421) 2.003 1.870 ( -3.078 -1.787 -1.431) 3.836 1.945 ( -4.830 -2.015 0.673) 5.277 2.066 ( 0.159 0.216 2.674) 2.688 2.137 ( -0.760 -1.968 -1.248) 2.451 2.169 ( 1.317 3.969 2.436) 4.839 2.206 ( 2.154 -1.196 -2.343) 3.400 2.248 ( -4.436 1.534 0.421) 4.713 2.314 ( 2.485 0.169 0.628) 2.569 2.410 ( 0.871 -4.615 -0.783) 4.761 2.452 ( 4.024 -1.948 -1.798) 4.819 2.536 ( 2.100 2.718 -1.383) 3.703 2.634 ( 0.272 -0.722 -2.938) 3.038 2.680 ( -2.282 -1.727 1.790) 3.375 2.807 ( -0.483 -0.945 -3.277) 3.445 2.839 ( 0.123 2.857 -0.189) 2.866 2.966 ( 3.345 -2.327 0.067) 4.075 2.982 ( 8.022 -3.512 -1.324) 8.856 3.101 ( 3.321 1.003 0.045) 3.469 3.118 ( 3.674 -2.183 -0.941) 4.377 3.135 ( 3.147 -0.664 -0.713) 3.294 3.231 ( 0.565 3.268 0.262) 3.326 3.268 ( 2.356 -1.185 -1.613) 3.092 3.278 ( 2.004 2.414 1.221) 3.367 3.328 ( 1.342 2.035 -2.316) 3.362 3.358 ( 2.150 -1.951 0.703) 2.987 3.379 ( -0.246 0.748 -0.820) 1.137 3.441 ( -1.025 1.242 0.429) 1.666 3.460 ( -0.100 1.006 -2.167) 2.391 3.511 ( 0.921 -2.725 -0.999) 3.045 3.557 ( -1.570 0.259 0.349) 1.629 3.597 ( 2.485 1.033 1.654) 3.159 3.631 ( -2.071 3.446 0.757) 4.091 3.637 ( -0.806 -1.923 0.561) 2.160 3.704 ( -1.453 0.092 3.457) 3.751 3.743 ( -0.724 2.591 1.719) 3.193 3.764 ( -2.308 0.515 -0.278) 2.381 3.774 ( 0.122 1.681 -0.398) 1.732 3.813 ( 0.287 -0.826 -0.361) 0.946 3.865 ( 0.804 1.645 -1.033) 2.102 3.920 ( -1.570 -1.873 -0.081) 2.446 3.943 ( -0.094 -2.506 1.210) 2.784 3.972 ( -0.592 0.694 -0.875) 1.263 3.984 ( 0.611 -1.036 0.173) 1.215 4.035 ( -3.611 -0.511 0.448) 3.675 4.066 ( -0.128 -0.321 -1.530) 1.568 4.100 ( -1.509 -2.602 -1.047) 3.185 4.133 ( -2.068 1.556 1.181) 2.844 4.169 ( 0.039 -0.271 -0.473) 0.547 4.233 ( 0.367 -0.407 1.750) 1.834 4.248 ( -1.774 0.146 -0.827) 1.963 4.277 ( -1.943 -0.067 -0.190) 1.953 4.306 ( -0.677 -0.568 -0.047) 0.885 4.349 ( 2.304 -0.442 -0.184) 2.353 4.387 ( 1.276 0.655 0.248) 1.456 4.444 ( 3.081 2.458 1.059) 4.081 4.512 ( -0.259 -1.511 0.489) 1.609 4.518 ( 1.139 1.213 0.124) 1.669 4.596 ( -0.049 -0.126 -0.894) 0.904 4.611 ( -0.341 -2.349 -0.648) 2.461 4.641 ( -0.343 0.726 0.501) 0.947 4.683 ( 0.099 -0.609 0.353) 0.711 4.745 ( -0.269 2.127 0.599) 2.226 4.808 ( -2.406 -1.430 1.170) 3.034 4.898 ( -1.246 0.915 -0.332) 1.581 5.001 ( 0.492 -1.191 1.710) 2.141 5.064 ( -2.410 -2.287 -1.130) 3.509 5.135 ( 0.825 2.825 0.322) 2.961 5.191 ( -1.473 2.334 -0.787) 2.870 5.224 ( -2.855 1.061 -0.726) 3.132 5.326 ( -2.909 -0.266 0.267) 2.933 5.429 ( 1.096 3.640 0.333) 3.816 5.502 ( 0.673 0.250 -0.456) 0.850 5.551 ( 3.231 -7.514 0.887) 8.227 5.648 ( 3.840 -5.410 -0.210) 6.638 5.809 ( 1.186 1.036 1.042) 1.888 5.830 ( 0.302 -0.006 -1.333) 1.367 5.854 ( -1.002 -0.939 0.532) 1.473 5.924 ( -0.185 -2.219 0.857) 2.386 6.235 ( -5.658 4.370 0.338) 7.157 6.318 ( -5.620 5.103 -0.034) 7.591 6.453 ( -2.334 -1.066 0.234) 2.577 6.505 ( -2.411 -1.005 -0.527) 2.665 6.661 ( -0.342 -0.725 0.316) 0.862 6.701 ( -0.076 -0.885 -1.394) 1.653 6.747 ( 0.247 -0.873 2.010) 2.206 6.837 ( 1.521 -0.940 -0.967) 2.033 7.059 ( 2.160 0.355 0.020) 2.189 7.104 ( 1.476 -1.132 -0.536) 1.936 7.132 ( 2.138 -1.162 -0.136) 2.437 7.148 ( 1.257 -1.388 0.333) 1.902 14.242 ( 1.447 0.453 -0.016) 1.517 14.282 ( 0.402 0.125 -0.959) 1.047 14.292 ( 1.171 -0.243 1.061) 1.598 14.341 ( 0.844 -0.655 -0.235) 1.093 15.009 ( -0.392 0.861 -0.428) 1.038 15.049 ( 0.206 0.189 0.968) 1.008 15.072 ( -2.236 0.625 -0.866) 2.478 15.130 ( -1.793 -0.426 -0.072) 1.844 15.325 ( -1.035 2.684 0.028) 2.877 15.342 ( -0.800 2.484 0.006) 2.609 15.509 ( 2.545 -1.195 0.305) 2.828 15.562 ( 2.273 -2.422 -0.333) 3.338 15.784 ( -2.733 1.728 0.410) 3.259 15.823 ( -2.537 2.420 -0.761) 3.587 15.976 ( -0.456 -1.754 0.145) 1.818 16.003 ( 0.179 -1.788 -0.325) 1.826 16.139 ( 1.330 -2.782 -0.745) 3.173 16.188 ( 0.810 -3.142 0.519) 3.286 16.215 ( 0.527 -4.736 -0.228) 4.770 16.251 ( 0.535 -3.975 -0.290) 4.022 17.408 ( -0.088 1.830 0.632) 1.938 17.446 ( 1.523 1.598 -1.610) 2.732 17.551 ( 0.086 -2.055 0.677) 2.165 17.582 ( 0.255 -2.543 -0.045) 2.556 17.868 ( -1.696 2.220 0.688) 2.877 17.944 ( -1.523 0.659 -1.508) 2.242 18.034 ( 0.476 2.193 0.004) 2.244 18.052 ( -0.368 -0.377 0.430) 0.680 18.099 ( -0.822 1.089 1.497) 2.025 18.164 ( 1.234 3.703 -2.753) 4.776 18.351 ( 2.131 -3.293 1.087) 4.070 18.415 ( 1.900 -2.200 -0.144) 2.910 18.650 ( -1.020 1.837 0.663) 2.203 18.709 ( -0.250 0.753 -0.326) 0.858 18.768 ( -0.602 1.932 1.748) 2.674 18.839 ( -1.772 4.216 3.126) 5.540 18.858 ( -1.267 1.228 -1.642) 2.410 19.032 ( -1.335 0.061 -1.703) 2.165 19.319 ( 3.895 4.260 0.650) 5.809 19.388 ( 5.352 2.786 -0.094) 6.034 ======================= Grid point 67 (35/56) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.653 10.790 5.063) 11.937 1.114 ( 1.018 11.186 1.591) 11.344 1.151 ( -1.315 -2.457 -0.365) 2.810 1.275 ( -1.353 3.163 -3.414) 4.847 1.355 ( 0.003 0.220 -0.676) 0.710 1.371 ( -1.842 7.861 -4.470) 9.229 1.428 ( 1.553 0.038 0.077) 1.555 1.456 ( 1.750 -1.453 -0.439) 2.316 1.577 ( 0.185 4.560 0.279) 4.573 1.619 ( 1.301 -2.241 1.432) 2.960 1.632 ( 1.755 -1.553 1.159) 2.614 1.703 ( -4.290 -5.083 0.813) 6.701 1.736 ( -0.528 2.916 -1.287) 3.231 1.764 ( 4.256 3.599 3.450) 6.555 1.895 ( -3.453 3.629 0.349) 5.021 1.910 ( 0.237 0.670 0.992) 1.220 2.054 ( -0.194 -1.194 0.046) 1.210 2.106 ( 3.026 -4.938 -0.319) 5.800 2.188 ( 0.214 5.925 3.042) 6.664 2.221 ( -1.786 1.483 1.619) 2.830 2.266 ( -1.933 -0.326 4.547) 4.951 2.356 ( 3.803 -4.460 3.671) 6.916 2.413 ( 0.364 3.262 0.895) 3.402 2.499 ( -1.172 -4.843 0.389) 4.998 2.547 ( 0.832 4.790 -2.039) 5.272 2.615 ( -1.590 2.971 -2.413) 4.144 2.656 ( -0.203 -2.661 -3.037) 4.043 2.690 ( -0.793 -4.400 -5.056) 6.749 2.838 ( -1.611 2.237 1.374) 3.080 2.946 ( 1.945 -5.606 -1.848) 6.215 3.033 ( 1.768 5.348 -0.077) 5.633 3.098 ( -0.438 -0.176 -5.307) 5.328 3.130 ( -0.768 -1.434 -2.054) 2.620 3.158 ( 1.433 -4.451 0.575) 4.711 3.279 ( -0.686 -0.168 0.453) 0.839 3.291 ( -0.090 -0.352 -0.701) 0.790 3.329 ( 2.358 -0.746 -1.151) 2.728 3.331 ( 0.283 1.718 0.822) 1.925 3.342 ( -0.972 0.039 -1.961) 2.189 3.393 ( -3.115 -1.487 -0.158) 3.456 3.445 ( -2.541 2.310 2.362) 4.168 3.463 ( 0.677 0.880 1.801) 2.116 3.511 ( 3.292 0.089 -1.779) 3.743 3.535 ( 2.420 -0.280 2.416) 3.431 3.557 ( -2.499 -2.524 4.078) 5.408 3.593 ( -1.194 -1.897 -0.006) 2.241 3.647 ( -0.782 2.776 -1.928) 3.469 3.699 ( -1.339 -0.705 -2.460) 2.889 3.775 ( 2.471 2.263 0.095) 3.352 3.798 ( -0.366 1.111 -1.277) 1.731 3.829 ( 0.850 2.351 -0.117) 2.503 3.849 ( -1.807 0.802 -0.941) 2.190 3.856 ( 0.001 3.310 1.119) 3.494 3.885 ( 0.036 -1.498 0.853) 1.724 3.919 ( 1.308 -1.447 0.065) 1.952 3.943 ( -0.610 3.044 -1.483) 3.441 3.965 ( -0.578 -2.042 0.181) 2.130 3.992 ( 0.826 -1.584 -2.922) 3.425 4.033 ( -0.386 1.319 1.235) 1.848 4.081 ( 0.500 2.255 -0.897) 2.478 4.121 ( -0.440 -3.731 -0.045) 3.758 4.165 ( 0.643 -3.987 -1.156) 4.201 4.192 ( -1.576 1.038 2.522) 3.150 4.226 ( 0.567 -1.382 1.725) 2.282 4.282 ( 0.071 1.212 1.003) 1.575 4.300 ( -0.066 -0.323 -0.011) 0.330 4.377 ( -0.946 1.350 0.603) 1.756 4.382 ( -0.057 -0.204 -0.625) 0.660 4.435 ( 1.239 -2.319 -1.645) 3.101 4.476 ( 1.239 -4.489 -1.922) 5.039 4.568 ( -0.350 0.579 1.887) 2.005 4.577 ( 0.398 -0.984 1.625) 1.940 4.606 ( 0.424 2.499 1.783) 3.099 4.640 ( -0.778 0.445 0.275) 0.938 4.711 ( 0.452 1.525 0.414) 1.644 4.738 ( -0.368 0.201 -0.600) 0.732 4.814 ( 0.125 0.827 1.399) 1.630 4.858 ( 0.204 -2.931 -0.265) 2.950 4.988 ( -0.279 -0.246 -0.064) 0.377 5.000 ( -0.478 -1.161 -0.241) 1.278 5.230 ( -0.689 6.080 0.723) 6.161 5.265 ( 1.147 3.525 -0.203) 3.713 5.270 ( -0.685 2.594 0.387) 2.711 5.312 ( 0.005 3.444 -1.348) 3.699 5.408 ( 0.140 -8.094 2.019) 8.343 5.462 ( 0.423 -4.944 -0.063) 4.962 5.521 ( -0.186 0.468 -0.486) 0.700 5.536 ( -0.260 -3.040 -1.027) 3.220 5.815 ( -1.100 0.371 -0.888) 1.461 5.825 ( 0.069 -0.565 -1.253) 1.376 5.893 ( 1.304 0.887 1.876) 2.451 5.907 ( -0.147 -0.387 1.451) 1.508 6.303 ( 0.373 5.316 1.057) 5.433 6.360 ( -0.703 3.438 -1.568) 3.844 6.407 ( 0.511 -1.834 0.985) 2.144 6.445 ( -0.207 -2.318 -0.807) 2.463 6.646 ( -0.001 -0.080 0.075) 0.110 6.659 ( -0.085 -1.333 -0.559) 1.448 6.772 ( 0.155 1.244 1.066) 1.645 6.809 ( -0.044 -2.116 -0.557) 2.188 7.090 ( -0.119 0.556 0.088) 0.575 7.105 ( 0.359 -0.599 -0.586) 0.912 7.135 ( -0.476 -0.430 0.295) 0.706 7.137 ( 0.214 -0.588 0.137) 0.641 14.275 ( 0.162 0.658 0.075) 0.682 14.284 ( -0.335 -0.027 -0.260) 0.425 14.313 ( 0.276 0.491 0.345) 0.660 14.329 ( -0.086 -0.921 -0.339) 0.985 15.034 ( 0.605 1.116 0.262) 1.296 15.049 ( -0.954 0.176 -0.335) 1.027 15.066 ( 1.008 0.274 0.286) 1.083 15.086 ( -0.609 -1.156 -0.508) 1.402 15.386 ( -0.008 3.963 -0.213) 3.969 15.389 ( -0.188 3.017 -0.304) 3.038 15.469 ( -0.023 -3.310 0.700) 3.383 15.489 ( 0.151 -4.538 -0.179) 4.544 15.851 ( 0.300 4.690 0.105) 4.701 15.877 ( -0.583 3.697 -1.167) 3.920 15.941 ( 0.276 -2.088 0.550) 2.177 15.960 ( -0.048 -2.685 -0.565) 2.744 16.112 ( 0.849 -1.269 0.352) 1.567 16.127 ( -0.687 -2.385 0.515) 2.535 16.144 ( 0.179 -1.229 -0.177) 1.254 16.172 ( -0.119 -3.286 -0.673) 3.356 17.444 ( -0.324 1.651 0.432) 1.737 17.472 ( 0.449 -0.812 -0.658) 1.137 17.526 ( -0.492 0.238 0.188) 0.578 17.547 ( 0.251 -1.612 -0.511) 1.709 17.912 ( -0.053 3.190 0.271) 3.202 17.944 ( 0.069 0.885 -1.419) 1.674 18.008 ( -0.032 -1.468 1.138) 1.857 18.020 ( -0.586 -2.200 0.274) 2.293 18.182 ( -0.336 5.338 1.345) 5.515 18.255 ( 0.619 2.208 -1.816) 2.925 18.306 ( 0.097 -2.496 1.252) 2.794 18.362 ( 0.198 -4.056 -1.111) 4.210 18.699 ( 1.230 1.932 1.800) 2.913 18.719 ( 0.271 0.123 1.338) 1.371 18.801 ( -0.848 1.780 -0.301) 1.995 18.834 ( -0.958 -0.993 -1.559) 2.082 18.929 ( 0.332 3.824 1.114) 3.997 18.987 ( -0.155 -1.791 -1.321) 2.231 19.425 ( 0.172 2.138 0.683) 2.251 19.449 ( -0.060 -0.215 -0.309) 0.381 ======================= Grid point 68 (36/56) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.585 10.094 4.289) 10.983 1.122 ( -0.233 9.490 4.569) 10.535 1.137 ( -0.442 -1.801 -1.809) 2.591 1.183 ( -3.937 7.820 -2.952) 9.239 1.317 ( -2.725 -1.564 -1.046) 3.311 1.352 ( 0.489 4.579 -2.495) 5.237 1.428 ( -3.351 -6.128 0.944) 7.048 1.474 ( -0.767 -5.231 -2.042) 5.667 1.530 ( -4.673 1.997 -1.042) 5.188 1.578 ( -1.168 -0.513 1.378) 1.878 1.651 ( 0.551 5.324 3.114) 6.192 1.687 ( -1.060 0.813 -3.802) 4.030 1.814 ( 4.511 0.910 3.028) 5.509 1.842 ( 1.303 3.382 0.451) 3.652 1.876 ( 4.346 -1.067 -0.472) 4.500 1.905 ( -2.026 -3.210 2.315) 4.446 2.077 ( 2.225 4.857 0.917) 5.420 2.140 ( -1.343 -0.082 1.024) 1.691 2.162 ( 0.633 0.262 -1.362) 1.525 2.222 ( -0.536 -2.017 0.378) 2.121 2.272 ( 0.118 1.787 1.630) 2.422 2.383 ( -3.480 1.869 0.835) 4.038 2.407 ( -3.418 -3.956 3.433) 6.255 2.443 ( -2.407 -0.128 3.348) 4.126 2.527 ( -3.215 1.152 2.092) 4.005 2.616 ( -1.499 -5.024 -1.048) 5.346 2.631 ( 4.331 3.589 -4.659) 7.303 2.695 ( 3.259 -3.385 -5.450) 7.196 2.827 ( 0.201 1.908 0.703) 2.043 2.921 ( -5.210 -6.203 -0.416) 8.112 3.009 ( -3.858 0.893 -3.830) 5.509 3.045 ( -0.838 0.621 -4.642) 4.758 3.078 ( -1.892 2.719 3.019) 4.481 3.164 ( -1.074 -3.266 -1.950) 3.952 3.237 ( -2.298 1.830 -0.780) 3.040 3.264 ( -1.909 0.386 0.677) 2.062 3.324 ( -0.492 3.482 2.501) 4.315 3.332 ( 0.862 0.951 -1.731) 2.155 3.353 ( 0.933 1.014 0.082) 1.380 3.389 ( 0.065 -2.603 -1.169) 2.854 3.399 ( 0.100 2.000 -0.079) 2.004 3.487 ( -0.862 -4.117 2.632) 4.962 3.526 ( 0.054 0.947 -1.467) 1.746 3.533 ( -0.468 -0.800 2.372) 2.546 3.604 ( 0.474 1.480 -0.078) 1.556 3.623 ( 3.309 0.057 -1.118) 3.493 3.683 ( 4.098 1.978 1.216) 4.710 3.713 ( 3.870 0.818 0.516) 3.989 3.769 ( -0.673 2.493 -1.384) 2.930 3.807 ( -1.264 -0.395 -0.902) 1.602 3.818 ( 1.475 0.804 0.891) 1.901 3.847 ( -0.828 0.273 0.341) 0.936 3.882 ( -0.589 -0.869 0.795) 1.317 3.896 ( 3.314 0.419 0.070) 3.342 3.918 ( -0.609 2.116 -1.248) 2.531 3.941 ( -1.460 0.795 -0.788) 1.839 3.959 ( 2.540 -1.630 0.210) 3.026 3.984 ( -0.345 -2.097 -2.101) 2.988 4.053 ( 1.734 0.538 0.934) 2.042 4.102 ( 1.951 1.778 -0.724) 2.737 4.119 ( 0.292 -3.536 0.107) 3.550 4.165 ( 0.520 -2.101 -1.023) 2.394 4.213 ( 2.449 2.071 2.044) 3.803 4.260 ( 0.347 -1.495 1.021) 1.843 4.277 ( -2.368 -0.401 0.063) 2.403 4.285 ( 0.734 -1.481 1.044) 1.955 4.346 ( 0.552 3.150 -0.813) 3.300 4.393 ( 0.589 -0.984 0.313) 1.188 4.473 ( 2.902 -0.675 -0.728) 3.068 4.507 ( 2.031 -3.175 -2.126) 4.327 4.548 ( -1.577 0.187 0.326) 1.621 4.573 ( -1.741 -0.666 1.281) 2.262 4.606 ( -1.049 3.176 0.249) 3.354 4.649 ( -0.046 -0.380 1.803) 1.843 4.733 ( 1.883 0.910 1.119) 2.372 4.750 ( 0.998 -0.467 -0.051) 1.103 4.809 ( -0.081 2.323 -0.256) 2.339 4.863 ( 0.216 -2.371 -0.613) 2.458 4.996 ( 1.452 -0.047 0.345) 1.493 5.022 ( 2.373 -2.548 0.274) 3.493 5.214 ( -1.518 3.635 0.169) 3.943 5.233 ( -2.902 2.647 0.145) 3.931 5.269 ( 0.402 4.335 0.395) 4.371 5.336 ( 2.048 1.954 -0.904) 2.972 5.409 ( -0.877 -6.351 1.767) 6.650 5.455 ( -1.001 -5.350 -0.663) 5.483 5.514 ( -0.261 -0.215 -0.862) 0.925 5.520 ( -1.195 -1.120 0.120) 1.642 5.794 ( -0.738 0.985 -0.241) 1.254 5.821 ( -0.051 -1.543 -0.456) 1.610 5.891 ( -1.937 0.419 0.438) 2.030 5.901 ( -1.435 -0.605 1.045) 1.876 6.346 ( 3.513 4.057 0.923) 5.445 6.377 ( 3.353 3.004 -1.076) 4.628 6.443 ( 2.828 -1.455 0.749) 3.268 6.464 ( 2.633 -1.890 -0.848) 3.350 6.655 ( 0.931 -0.052 0.140) 0.943 6.664 ( 1.032 -0.900 -0.496) 1.456 6.773 ( -0.802 0.658 1.084) 1.500 6.796 ( -1.017 -1.514 -0.687) 1.948 7.065 ( -2.285 0.773 -0.097) 2.414 7.087 ( -2.046 -1.407 -0.371) 2.510 7.115 ( -1.812 0.079 0.119) 1.818 7.125 ( -1.748 -0.773 0.278) 1.932 14.259 ( -1.775 0.425 0.134) 1.830 14.263 ( -1.654 0.067 -0.066) 1.656 14.313 ( -0.430 0.026 0.275) 0.511 14.319 ( -0.679 -0.534 -0.444) 0.971 15.033 ( -0.309 0.901 -0.228) 0.980 15.045 ( 0.109 -0.151 0.381) 0.424 15.094 ( 1.755 0.090 -0.620) 1.864 15.101 ( 2.238 -0.493 0.132) 2.296 15.389 ( 0.623 3.171 -0.232) 3.240 15.399 ( 1.320 3.151 -0.069) 3.417 15.474 ( 0.148 -2.610 0.667) 2.698 15.494 ( 0.354 -3.271 -0.308) 3.305 15.853 ( -0.247 3.634 0.122) 3.644 15.864 ( -0.112 3.098 -0.617) 3.161 15.932 ( -1.139 -2.287 -0.248) 2.567 15.956 ( -0.567 -3.378 -0.054) 3.425 16.116 ( -0.215 0.175 -0.108) 0.298 16.133 ( 0.961 -1.458 0.827) 1.932 16.153 ( 0.608 -2.221 0.144) 2.307 16.165 ( -0.182 -2.965 -0.991) 3.132 17.436 ( -0.736 1.650 0.376) 1.845 17.469 ( -0.367 -1.322 -0.553) 1.480 17.511 ( -1.102 0.896 0.267) 1.446 17.541 ( -0.577 -1.878 -0.367) 1.999 17.926 ( 1.483 3.169 0.014) 3.499 17.956 ( 1.920 1.040 -0.871) 2.351 18.018 ( 0.307 -1.245 0.421) 1.349 18.023 ( 0.760 -2.231 0.760) 2.476 18.169 ( -1.927 5.478 1.423) 5.979 18.248 ( -0.225 1.552 -1.575) 2.222 18.297 ( -1.775 -2.526 1.128) 3.287 18.349 ( -0.832 -3.777 -1.343) 4.094 18.718 ( -0.662 2.627 -0.455) 2.747 18.740 ( 1.726 0.730 1.833) 2.621 18.796 ( 0.044 0.777 0.422) 0.885 18.821 ( 0.680 -1.171 -0.573) 1.470 18.956 ( 2.080 2.716 0.981) 3.559 18.992 ( 1.637 -0.745 -1.315) 2.228 19.398 ( -3.631 1.877 0.414) 4.108 19.412 ( -3.484 0.437 -0.174) 3.515 ======================= Grid point 69 (37/56) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 3.388 7.471 4.116) 9.178 1.067 ( -1.911 7.772 -3.968) 8.933 1.155 ( 1.658 -4.262 1.374) 4.775 1.195 ( -0.342 2.429 2.636) 3.601 1.233 ( -4.647 0.684 -0.538) 4.728 1.326 ( -5.027 -1.667 0.679) 5.339 1.365 ( 1.199 4.006 -3.440) 5.415 1.445 ( -3.325 -2.838 -0.557) 4.407 1.465 ( -0.725 1.022 -1.151) 1.702 1.569 ( -0.091 -5.419 -0.658) 5.460 1.618 ( -1.870 4.699 2.158) 5.498 1.712 ( -0.774 -2.817 2.038) 3.562 1.795 ( -1.531 3.715 -0.464) 4.045 1.863 ( -1.940 -1.267 2.138) 3.152 1.910 ( 2.583 1.409 -1.226) 3.187 1.969 ( 5.616 -4.401 -0.910) 7.193 2.095 ( -0.500 5.189 0.755) 5.267 2.145 ( 0.519 2.613 -0.226) 2.674 2.166 ( -0.415 -3.097 -1.028) 3.290 2.205 ( -2.431 -2.551 -1.046) 3.676 2.260 ( -2.687 1.122 -0.698) 2.994 2.308 ( -3.642 3.817 1.128) 5.395 2.325 ( -3.721 -3.148 -0.144) 4.876 2.430 ( -2.374 -6.212 2.889) 7.251 2.506 ( -1.353 2.194 3.455) 4.311 2.575 ( -1.645 -4.480 0.753) 4.832 2.687 ( 4.393 4.505 -4.135) 7.529 2.743 ( 2.465 -1.135 -1.924) 3.327 2.803 ( -4.835 -0.721 0.077) 4.889 2.812 ( -2.645 -1.616 -0.094) 3.101 2.976 ( 3.899 4.420 -1.671) 6.126 3.061 ( 3.088 -3.066 0.035) 4.352 3.081 ( -0.150 2.903 1.544) 3.292 3.131 ( -0.770 -2.002 -0.813) 2.294 3.196 ( -1.658 2.335 -1.871) 3.421 3.228 ( -2.647 -0.160 -0.343) 2.674 3.323 ( -0.784 6.824 0.716) 6.906 3.340 ( 0.926 2.271 -2.951) 3.837 3.370 ( 0.058 0.341 0.933) 0.995 3.408 ( 1.237 0.111 0.316) 1.281 3.416 ( 2.062 -0.423 -1.159) 2.403 3.459 ( -1.080 -5.365 1.878) 5.786 3.539 ( 1.081 2.317 0.772) 2.671 3.549 ( -0.216 0.744 2.559) 2.674 3.610 ( 0.915 0.902 0.507) 1.381 3.644 ( 0.405 -1.201 -1.845) 2.239 3.740 ( 1.379 1.614 0.908) 2.309 3.751 ( 0.296 2.492 0.539) 2.567 3.785 ( 1.495 3.752 -1.029) 4.168 3.795 ( -0.040 0.418 0.594) 0.728 3.821 ( -1.889 -0.128 0.205) 1.904 3.854 ( 1.757 1.098 0.373) 2.105 3.865 ( -1.212 -0.036 0.625) 1.364 3.898 ( -0.648 1.816 -0.855) 2.109 3.916 ( -0.287 -2.490 -0.372) 2.534 3.948 ( 0.712 -1.236 -1.045) 1.768 3.969 ( 0.014 -0.301 0.106) 0.319 4.007 ( 2.551 -2.697 -0.213) 3.719 4.084 ( 1.464 0.625 0.501) 1.669 4.122 ( 0.815 -2.918 0.774) 3.127 4.147 ( 1.748 0.712 -0.622) 1.987 4.165 ( 0.526 -0.143 -1.656) 1.743 4.197 ( -3.102 1.221 0.128) 3.336 4.235 ( -2.334 -2.485 0.146) 3.412 4.316 ( 5.287 2.007 1.750) 5.920 4.343 ( 2.892 0.185 0.621) 2.964 4.373 ( 2.411 1.901 -0.226) 3.078 4.412 ( 1.189 -0.899 -0.048) 1.491 4.476 ( -3.831 3.012 -0.472) 4.897 4.502 ( -0.081 -0.144 -0.362) 0.398 4.542 ( 0.467 0.374 -2.018) 2.105 4.555 ( -0.026 -0.140 1.247) 1.255 4.583 ( -0.712 -1.410 -1.345) 2.074 4.633 ( -2.307 -2.720 1.222) 3.770 4.740 ( -1.574 3.091 -0.558) 3.513 4.778 ( 1.184 0.450 0.943) 1.579 4.849 ( 3.550 -0.396 1.059) 3.726 4.862 ( 1.024 -1.938 -0.308) 2.213 5.029 ( 1.301 0.273 0.136) 1.336 5.055 ( 0.627 -1.995 0.178) 2.099 5.185 ( -2.182 1.277 0.487) 2.574 5.186 ( -1.261 0.760 -0.115) 1.477 5.308 ( 3.622 3.833 0.676) 5.317 5.358 ( 1.013 -0.032 -0.897) 1.353 5.413 ( 0.271 -3.292 1.033) 3.461 5.428 ( -1.116 -3.402 -1.475) 3.872 5.482 ( -1.916 1.178 -0.019) 2.249 5.511 ( -1.084 -1.861 0.567) 2.227 5.786 ( -0.330 0.811 0.395) 0.960 5.817 ( -0.124 -1.749 -0.243) 1.770 5.854 ( -1.933 -0.552 -0.292) 2.031 5.868 ( -2.238 -1.487 0.267) 2.701 6.421 ( 4.254 2.579 0.081) 4.975 6.447 ( 4.295 0.941 -0.259) 4.405 6.500 ( 2.738 -1.004 0.394) 2.942 6.508 ( 2.181 -1.093 -0.422) 2.475 6.675 ( 0.981 0.685 0.046) 1.198 6.688 ( 1.623 -0.288 -0.149) 1.656 6.756 ( -1.671 -0.014 0.871) 1.884 6.767 ( -1.609 -1.009 -0.729) 2.034 7.026 ( -1.680 0.444 -0.043) 1.738 7.044 ( -2.089 -1.407 -0.202) 2.526 7.077 ( -2.294 -0.035 0.014) 2.294 7.084 ( -2.717 -0.659 0.214) 2.804 14.229 ( -1.379 0.038 0.077) 1.382 14.233 ( -1.551 -0.254 0.172) 1.581 14.304 ( -0.585 -0.068 0.033) 0.590 14.305 ( -0.560 -0.204 -0.317) 0.675 15.032 ( 0.206 0.699 -0.170) 0.748 15.045 ( -0.131 -0.684 0.046) 0.698 15.125 ( 1.702 0.654 -0.240) 1.839 15.136 ( 1.447 -0.491 0.109) 1.532 15.408 ( 1.457 2.981 0.041) 3.318 15.428 ( 1.655 2.074 0.013) 2.653 15.478 ( -0.177 -0.574 0.522) 0.795 15.493 ( -0.303 -0.886 -0.523) 1.073 15.853 ( 0.458 1.188 -0.107) 1.278 15.866 ( 0.422 0.827 0.276) 0.968 15.908 ( -1.162 -2.086 -0.428) 2.426 15.935 ( -1.747 -3.275 0.129) 3.714 16.117 ( 0.306 0.891 -0.292) 0.987 16.152 ( -0.261 -2.554 -0.325) 2.588 16.154 ( 0.523 -0.737 0.072) 0.906 16.166 ( 0.681 -1.911 0.045) 2.030 17.426 ( -0.497 1.407 0.437) 1.554 17.457 ( -0.587 -1.281 -0.394) 1.463 17.496 ( -0.696 0.819 0.398) 1.146 17.527 ( -0.711 -1.997 -0.322) 2.145 17.959 ( 2.189 2.956 -0.330) 3.693 17.992 ( 2.128 1.030 -0.253) 2.378 18.029 ( 0.518 -0.671 0.702) 1.101 18.043 ( 0.973 -1.755 0.434) 2.053 18.136 ( -2.455 5.143 1.683) 5.943 18.229 ( -1.208 -1.394 -1.228) 2.216 18.267 ( -1.614 -0.223 0.451) 1.691 18.324 ( -0.882 -3.340 -1.541) 3.783 18.706 ( -0.055 3.348 -0.794) 3.441 18.759 ( 0.243 -1.741 -0.723) 1.901 18.806 ( 0.046 1.841 1.806) 2.579 18.833 ( 0.401 -0.760 -0.131) 0.869 19.015 ( 3.913 2.162 0.914) 4.563 19.034 ( 3.286 0.328 -0.008) 3.303 19.316 ( -4.985 2.456 -0.222) 5.562 19.338 ( -4.601 0.297 -0.205) 4.615 ======================= Grid point 70 (38/56) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -2.137 2.131 -0.850) 3.135 1.069 ( -2.324 0.798 -1.581) 2.922 1.125 ( 1.105 5.979 1.167) 6.191 1.208 ( -1.040 1.499 2.559) 3.143 1.224 ( 3.290 -2.168 3.216) 5.085 1.287 ( -1.665 -2.821 0.861) 3.387 1.347 ( 1.852 3.797 -6.396) 7.665 1.408 ( -0.035 -0.041 -0.484) 0.487 1.468 ( 0.831 3.705 -0.061) 3.798 1.575 ( 1.654 -1.999 -1.635) 3.067 1.634 ( 1.471 -0.584 3.451) 3.797 1.665 ( -3.831 -4.504 2.460) 6.404 1.780 ( -0.066 2.935 0.219) 2.944 1.851 ( -1.436 -3.251 0.631) 3.609 1.995 ( 4.358 2.972 0.205) 5.279 2.041 ( -3.769 2.808 -1.459) 4.921 2.057 ( 4.563 -2.641 -0.282) 5.280 2.093 ( -4.383 -1.318 -1.340) 4.768 2.137 ( -1.993 -2.527 0.748) 3.304 2.149 ( 0.718 -3.479 -1.905) 4.031 2.230 ( 0.742 3.362 -0.362) 3.462 2.273 ( -2.208 4.234 -0.390) 4.791 2.310 ( 0.412 -2.669 0.786) 2.813 2.392 ( -1.643 -5.907 -1.133) 6.235 2.519 ( 0.233 0.462 3.861) 3.895 2.566 ( -1.373 -3.511 1.421) 4.029 2.714 ( 0.968 1.984 -3.348) 4.011 2.721 ( 0.173 0.465 -2.774) 2.818 2.772 ( 1.262 3.621 1.653) 4.176 2.839 ( 2.013 -1.346 0.449) 2.463 3.052 ( 2.208 2.909 2.399) 4.370 3.082 ( 0.188 2.662 -0.021) 2.669 3.095 ( -0.523 -0.914 2.877) 3.063 3.139 ( -0.203 -1.960 -0.364) 2.003 3.169 ( 0.487 0.188 -2.440) 2.495 3.185 ( 0.225 0.182 -3.572) 3.584 3.308 ( -0.430 4.368 -0.019) 4.389 3.328 ( -0.620 3.525 -2.072) 4.136 3.371 ( 1.078 0.253 -1.454) 1.827 3.391 ( -1.614 -0.972 -0.348) 1.916 3.448 ( 0.809 0.793 2.766) 2.989 3.500 ( 2.131 -1.771 0.678) 2.853 3.556 ( -0.105 0.764 2.352) 2.476 3.569 ( 0.800 1.621 3.095) 3.584 3.626 ( -0.853 0.132 0.200) 0.886 3.632 ( 0.224 0.803 -1.932) 2.104 3.746 ( -1.642 4.477 1.032) 4.879 3.758 ( 0.498 0.816 0.562) 1.109 3.770 ( -1.952 -0.434 -0.169) 2.007 3.793 ( 0.844 4.441 -1.288) 4.701 3.821 ( 1.694 -1.573 1.385) 2.695 3.850 ( -0.865 1.926 0.499) 2.170 3.883 ( -0.719 -3.048 -0.477) 3.168 3.892 ( 1.221 1.776 -0.459) 2.203 3.910 ( 0.885 1.830 -1.392) 2.463 3.922 ( -1.785 -3.359 -1.216) 3.994 3.978 ( -0.186 0.505 1.002) 1.137 4.029 ( 0.489 -2.353 -0.961) 2.588 4.113 ( -0.092 0.067 0.628) 0.638 4.135 ( 0.546 -2.086 0.830) 2.311 4.155 ( -0.991 -0.627 -0.000) 1.173 4.161 ( 0.925 -1.228 0.761) 1.716 4.184 ( 0.618 0.814 -0.862) 1.337 4.207 ( 0.276 -1.656 -1.376) 2.171 4.367 ( -0.077 2.733 0.178) 2.740 4.382 ( -3.971 4.471 0.171) 5.982 4.397 ( 0.588 0.549 -0.011) 0.804 4.415 ( 1.729 2.809 1.073) 3.469 4.455 ( 2.098 0.464 -1.046) 2.390 4.462 ( -1.773 -1.714 -0.311) 2.486 4.522 ( -1.739 1.635 -0.099) 2.389 4.558 ( 0.052 -0.690 -1.284) 1.458 4.606 ( 1.484 -1.695 0.788) 2.387 4.619 ( 1.011 -3.270 1.148) 3.610 4.705 ( -1.162 1.847 -1.111) 2.449 4.756 ( -2.361 -1.790 -2.159) 3.666 4.893 ( 1.447 0.981 2.402) 2.971 4.917 ( 1.435 -0.831 1.945) 2.556 5.031 ( -0.673 0.261 -0.430) 0.841 5.049 ( -0.464 -1.242 -0.584) 1.449 5.170 ( -0.213 0.607 0.756) 0.993 5.182 ( 0.905 -0.597 0.376) 1.148 5.353 ( -3.315 -0.644 -0.938) 3.505 5.362 ( 0.369 -1.330 -1.371) 1.945 5.399 ( 3.114 2.734 0.707) 4.204 5.422 ( -0.907 0.865 -0.050) 1.255 5.473 ( -1.577 -0.823 0.687) 1.907 5.494 ( 1.634 -2.709 -0.105) 3.165 5.786 ( 0.014 0.481 0.696) 0.846 5.816 ( 0.295 -1.798 -0.354) 1.856 5.835 ( 0.073 -1.574 -0.100) 1.579 5.840 ( -0.804 -1.522 -0.276) 1.743 6.468 ( -0.379 1.908 0.332) 1.973 6.493 ( 0.797 0.666 -0.860) 1.348 6.519 ( -1.259 -1.398 0.442) 1.932 6.531 ( 0.859 -1.720 -0.195) 1.933 6.685 ( 0.359 1.745 0.375) 1.820 6.707 ( 0.371 1.911 -0.553) 2.024 6.728 ( -1.061 -1.403 0.696) 1.892 6.754 ( 0.338 -1.606 -0.461) 1.705 7.015 ( 0.280 -0.070 0.274) 0.398 7.025 ( 0.060 -1.043 -0.141) 1.054 7.051 ( -0.347 -0.230 -0.022) 0.417 7.053 ( 0.077 -0.379 -0.048) 0.389 14.216 ( -0.261 -0.115 0.196) 0.346 14.219 ( 0.171 -0.436 0.068) 0.473 14.297 ( -0.187 0.129 -0.064) 0.236 14.301 ( 0.274 -0.293 -0.233) 0.464 15.035 ( 0.213 0.244 -0.055) 0.329 15.040 ( -0.371 -0.301 -0.185) 0.512 15.142 ( 0.122 0.466 0.109) 0.494 15.151 ( 0.237 -0.324 -0.015) 0.402 15.430 ( 0.350 2.129 0.357) 2.187 15.446 ( 0.652 0.974 -0.077) 1.174 15.467 ( -1.595 1.887 0.155) 2.476 15.488 ( 0.573 0.366 -0.437) 0.809 15.860 ( -0.588 -0.620 0.318) 0.911 15.876 ( 1.063 -2.298 -0.291) 2.549 15.902 ( 0.094 -1.040 0.204) 1.064 15.908 ( -0.147 -1.449 0.040) 1.457 16.118 ( -0.077 0.373 -0.243) 0.452 16.135 ( -0.649 -1.253 -1.044) 1.755 16.167 ( 0.275 -1.012 0.442) 1.138 16.176 ( 0.370 -1.738 0.101) 1.780 17.425 ( 0.006 1.179 0.549) 1.301 17.448 ( -0.071 -0.784 -0.370) 0.870 17.494 ( 0.164 0.198 0.517) 0.577 17.518 ( 0.015 -1.881 -0.428) 1.929 17.990 ( 0.970 2.485 -0.052) 2.668 18.004 ( -0.803 1.718 -0.645) 2.003 18.042 ( 0.234 -0.152 1.087) 1.123 18.061 ( 0.624 -2.199 0.247) 2.299 18.113 ( -1.029 4.786 2.018) 5.295 18.202 ( -0.473 -2.488 -0.888) 2.684 18.253 ( -0.122 0.893 -0.197) 0.922 18.310 ( 0.600 -3.128 -1.732) 3.626 18.706 ( 0.169 2.923 -0.121) 2.930 18.750 ( -0.590 -1.449 -1.420) 2.112 18.809 ( -0.428 1.759 1.321) 2.241 18.836 ( 0.280 -0.790 -0.236) 0.871 19.068 ( -1.275 2.329 1.212) 2.919 19.081 ( 1.733 1.051 1.166) 2.338 19.259 ( -0.052 2.044 -0.498) 2.104 19.277 ( -0.319 0.423 -0.964) 1.099 ======================= Grid point 71 (39/56) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -2.739 8.707 1.585) 9.265 1.068 ( -4.104 9.284 1.733) 10.297 1.117 ( 2.959 -4.060 -0.359) 5.037 1.220 ( 0.755 4.152 -1.076) 4.355 1.273 ( 1.953 -6.138 1.894) 6.714 1.326 ( 3.761 -1.848 -0.140) 4.193 1.400 ( 6.065 -1.598 -2.651) 6.810 1.438 ( 4.173 -1.855 -0.219) 4.572 1.477 ( 0.648 7.551 -0.922) 7.634 1.587 ( -0.338 1.655 -4.251) 4.575 1.637 ( -1.143 -0.447 4.122) 4.300 1.694 ( 1.830 -1.601 2.741) 3.664 1.773 ( -2.106 0.690 -0.653) 2.311 1.805 ( -0.637 -0.961 1.878) 2.204 1.920 ( -5.152 3.597 -0.815) 6.336 2.027 ( -4.053 -4.709 -0.136) 6.214 2.066 ( 0.564 1.567 0.328) 1.698 2.099 ( 1.644 -0.374 -2.078) 2.676 2.157 ( 2.137 0.901 0.668) 2.413 2.204 ( 3.402 -4.177 -1.670) 5.640 2.234 ( -1.655 4.051 0.031) 4.376 2.256 ( 2.732 2.937 1.118) 4.164 2.363 ( 4.552 -2.744 2.804) 6.009 2.364 ( -0.948 -3.812 -0.008) 3.929 2.542 ( 0.253 -1.084 0.094) 1.117 2.549 ( 0.699 -2.966 3.073) 4.327 2.727 ( 0.426 2.247 -1.435) 2.700 2.749 ( 5.399 -1.070 -4.038) 6.826 2.812 ( 2.172 0.889 0.939) 2.528 2.846 ( -0.723 -0.843 -1.141) 1.592 3.041 ( -3.398 6.151 -0.068) 7.028 3.088 ( -0.283 1.822 2.483) 3.092 3.105 ( 1.276 0.938 -0.800) 1.774 3.120 ( -0.339 -0.754 -0.005) 0.826 3.168 ( 1.085 -1.105 -4.480) 4.740 3.202 ( 2.745 -3.812 0.367) 4.712 3.305 ( -0.336 3.849 0.335) 3.878 3.336 ( 2.230 2.212 -0.781) 3.237 3.368 ( -0.812 -1.115 -0.834) 1.611 3.388 ( 0.941 -2.140 0.156) 2.343 3.468 ( 0.272 1.720 0.610) 1.845 3.501 ( -1.857 -0.670 -0.391) 2.012 3.547 ( -2.499 1.488 1.782) 3.411 3.577 ( -2.752 -1.004 2.909) 4.129 3.610 ( -0.143 3.624 -0.862) 3.728 3.625 ( 1.200 2.152 -1.153) 2.721 3.742 ( 0.218 3.836 0.562) 3.883 3.744 ( -1.253 -0.092 -0.420) 1.325 3.762 ( -0.900 -0.526 0.495) 1.154 3.805 ( 1.104 4.520 0.162) 4.656 3.830 ( -1.467 0.319 0.449) 1.567 3.844 ( -1.606 -0.307 0.295) 1.661 3.859 ( 0.490 -2.576 1.787) 3.173 3.897 ( -0.295 -2.824 -0.657) 2.914 3.916 ( 1.604 1.040 -1.166) 2.239 3.933 ( 1.889 1.633 -1.137) 2.744 3.973 ( -0.691 -0.972 -0.190) 1.208 4.027 ( -0.272 -2.919 -0.275) 2.945 4.089 ( -2.483 0.586 0.824) 2.681 4.126 ( -1.620 -0.025 -0.045) 1.620 4.136 ( -0.541 -0.722 -0.571) 1.068 4.176 ( -0.471 -1.275 -1.162) 1.789 4.214 ( 2.167 -0.116 -0.739) 2.293 4.226 ( 2.793 -1.356 0.746) 3.193 4.297 ( -4.360 2.231 1.589) 5.149 4.346 ( -5.010 -1.543 0.735) 5.293 4.374 ( -1.083 2.120 -0.174) 2.387 4.403 ( -1.491 0.096 -0.117) 1.499 4.461 ( 0.333 2.651 -0.610) 2.741 4.481 ( 1.579 -0.429 -0.587) 1.739 4.523 ( 0.359 1.105 -0.094) 1.165 4.564 ( 1.462 -0.992 -1.004) 2.032 4.616 ( -1.158 -0.387 -0.675) 1.396 4.627 ( 0.224 -0.851 1.506) 1.745 4.691 ( -0.279 1.068 -0.027) 1.104 4.741 ( 1.765 -2.112 0.390) 2.780 4.887 ( -3.449 1.902 0.712) 4.003 4.917 ( -2.090 -1.184 0.198) 2.410 5.010 ( -0.904 1.165 0.130) 1.481 5.045 ( -0.439 -2.248 0.002) 2.290 5.184 ( 1.510 2.482 0.299) 2.921 5.215 ( 2.341 -0.356 0.208) 2.377 5.279 ( -3.505 1.486 0.111) 3.808 5.357 ( 0.106 -5.487 -0.062) 5.488 5.391 ( -1.872 1.867 -0.548) 2.700 5.439 ( 0.048 -2.287 -0.236) 2.300 5.477 ( 2.606 2.818 0.219) 3.845 5.533 ( 1.578 -2.829 0.281) 3.252 5.800 ( 1.292 1.094 0.802) 1.873 5.825 ( 0.873 -0.807 -1.031) 1.574 5.835 ( 0.345 -0.747 0.012) 0.823 5.851 ( 1.437 -2.538 0.337) 2.936 6.409 ( -4.994 2.928 0.026) 5.790 6.466 ( -3.335 -2.221 -0.429) 4.030 6.479 ( -2.974 2.270 0.329) 3.756 6.522 ( -1.882 -1.756 -0.127) 2.578 6.676 ( -1.308 1.070 0.056) 1.691 6.704 ( -1.694 -1.459 -0.450) 2.281 6.729 ( 1.584 1.984 0.628) 2.615 6.776 ( 1.979 -2.028 -0.195) 2.840 7.032 ( 1.615 0.229 -0.033) 1.631 7.044 ( 2.119 -0.972 -0.225) 2.342 7.075 ( 2.490 -0.126 0.001) 2.494 7.082 ( 2.607 -0.832 0.241) 2.747 14.225 ( 1.229 0.382 0.094) 1.290 14.238 ( 1.675 -0.787 0.164) 1.857 14.298 ( 0.352 0.592 -0.151) 0.705 14.311 ( 0.870 -0.675 -0.143) 1.110 15.032 ( -0.394 0.343 -0.258) 0.583 15.038 ( 0.131 -0.261 0.131) 0.320 15.128 ( -1.627 0.779 -0.118) 1.808 15.144 ( -1.124 -0.712 -0.006) 1.331 15.418 ( -1.264 2.977 0.127) 3.237 15.432 ( -2.045 3.597 -0.187) 4.142 15.461 ( 0.511 -0.995 0.415) 1.194 15.495 ( 0.202 -2.169 -0.303) 2.199 15.846 ( -0.524 1.715 -0.014) 1.793 15.888 ( -0.145 0.888 0.467) 1.014 15.905 ( 1.495 -2.915 -0.775) 3.367 15.936 ( 1.686 -2.725 0.197) 3.210 16.109 ( -0.633 0.022 -0.251) 0.681 16.125 ( -0.138 -1.345 -0.229) 1.371 16.166 ( -0.437 -1.015 0.056) 1.107 16.179 ( 0.040 -2.211 -0.097) 2.214 17.432 ( 0.370 1.269 0.621) 1.461 17.451 ( 0.612 -0.232 -0.525) 0.839 17.506 ( 0.834 -0.374 0.502) 1.043 17.524 ( 0.879 -1.794 -0.481) 2.055 17.964 ( -2.354 3.137 -0.371) 3.940 17.993 ( -0.923 1.065 -0.385) 1.461 18.036 ( -1.543 -1.116 0.930) 2.119 18.056 ( -1.039 -1.941 0.439) 2.245 18.130 ( 1.375 4.446 1.873) 5.016 18.212 ( 2.014 -1.236 -1.297) 2.696 18.260 ( 0.980 0.981 -0.014) 1.387 18.327 ( 1.927 -3.428 -1.292) 4.139 18.704 ( -0.684 1.812 0.175) 1.945 18.725 ( -1.158 -0.462 -1.029) 1.617 18.812 ( 0.075 2.083 0.901) 2.271 18.844 ( 0.571 -0.895 0.160) 1.074 19.009 ( -4.624 3.875 0.588) 6.062 19.063 ( -3.160 -1.329 0.361) 3.447 19.308 ( 4.846 2.499 -0.217) 5.457 19.330 ( 5.058 0.434 -0.249) 5.083 ======================= Grid point 72 (40/56) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -1.381 10.813 4.720) 11.879 1.054 ( 2.556 13.367 1.915) 13.743 1.149 ( 1.762 -3.685 -2.117) 4.600 1.263 ( 2.858 1.507 -0.329) 3.247 1.339 ( 4.116 -6.346 2.876) 8.092 1.373 ( 2.311 -2.468 -0.760) 3.466 1.422 ( 0.050 5.548 -6.783) 8.763 1.484 ( -3.753 6.148 -1.963) 7.465 1.528 ( 4.071 1.944 -2.327) 5.077 1.558 ( 5.120 -2.450 -0.362) 5.687 1.644 ( -1.535 0.207 1.522) 2.171 1.683 ( -1.199 1.541 5.382) 5.725 1.760 ( -1.890 2.858 0.290) 3.438 1.812 ( -3.539 -2.334 1.936) 4.660 1.876 ( 1.974 3.484 0.425) 4.027 1.963 ( -3.684 -0.322 0.518) 3.734 2.067 ( 0.538 -2.359 0.263) 2.434 2.079 ( -2.101 -0.994 -0.714) 2.431 2.177 ( -0.389 1.114 0.358) 1.233 2.215 ( 0.851 -0.414 0.207) 0.969 2.256 ( 2.174 1.161 2.389) 3.432 2.297 ( 1.217 -1.693 1.298) 2.456 2.386 ( 1.180 1.715 2.303) 3.104 2.444 ( 3.221 -0.801 2.389) 4.090 2.565 ( 1.421 -0.340 -1.505) 2.097 2.601 ( 3.520 -1.609 -0.337) 3.885 2.691 ( -2.699 4.181 -1.949) 5.344 2.769 ( -3.555 -2.882 -2.394) 5.165 2.852 ( 0.026 -3.025 0.245) 3.035 2.878 ( 7.551 -4.780 -2.893) 9.394 2.999 ( 0.883 7.088 -1.783) 7.362 3.094 ( 1.706 -1.465 -5.070) 5.546 3.126 ( 0.514 -0.388 0.725) 0.970 3.129 ( 2.149 0.166 0.803) 2.300 3.213 ( 5.181 -0.487 -0.786) 5.262 3.263 ( 3.245 -3.849 0.963) 5.125 3.306 ( 0.216 2.991 0.976) 3.153 3.339 ( -1.459 0.514 -0.995) 1.839 3.365 ( 0.873 2.110 -1.298) 2.627 3.409 ( 0.918 -1.403 1.414) 2.194 3.455 ( -0.939 -1.237 -0.561) 1.651 3.460 ( -2.325 -1.057 -0.076) 2.555 3.511 ( -1.204 4.219 -1.006) 4.501 3.542 ( -2.643 -0.932 2.735) 3.916 3.591 ( -2.671 0.111 1.549) 3.089 3.630 ( -1.015 -0.330 -0.635) 1.242 3.698 ( -3.249 2.457 -0.586) 4.115 3.744 ( -1.402 -0.445 -0.393) 1.522 3.746 ( 0.380 2.338 -0.498) 2.420 3.804 ( -0.521 -0.432 -1.217) 1.392 3.824 ( 0.036 1.546 1.247) 1.987 3.845 ( 1.109 5.422 0.430) 5.551 3.874 ( -0.046 -2.105 1.656) 2.679 3.883 ( -1.213 -0.132 0.567) 1.346 3.921 ( -0.492 -1.013 -1.487) 1.865 3.950 ( 0.230 2.390 -0.730) 2.510 3.966 ( 0.500 -3.516 -0.079) 3.552 4.010 ( -0.906 -3.021 -2.400) 3.963 4.046 ( -2.164 2.215 0.770) 3.191 4.096 ( -1.383 2.038 -0.843) 2.603 4.127 ( -0.057 -3.076 -0.225) 3.085 4.159 ( -0.115 -1.688 -1.053) 1.993 4.225 ( -1.406 -0.335 2.587) 2.963 4.239 ( -3.998 -2.086 1.307) 4.695 4.269 ( -0.025 1.173 0.437) 1.252 4.290 ( 1.257 -0.764 -0.051) 1.472 4.363 ( 0.295 1.614 -0.185) 1.651 4.387 ( -0.121 -0.472 0.082) 0.494 4.450 ( -0.865 0.272 -1.008) 1.356 4.498 ( -1.583 -3.509 -1.493) 4.129 4.528 ( 2.589 1.778 0.205) 3.147 4.560 ( 0.008 -1.746 1.093) 2.061 4.611 ( -0.690 1.641 0.642) 1.892 4.645 ( 0.337 -0.878 1.351) 1.646 4.703 ( 0.577 3.296 0.772) 3.434 4.761 ( -0.647 -1.097 0.274) 1.303 4.817 ( -2.751 1.702 0.101) 3.236 4.870 ( -1.719 -3.344 -0.829) 3.850 4.999 ( -0.842 0.972 0.368) 1.338 5.025 ( -1.762 -1.424 0.343) 2.291 5.223 ( 2.510 4.678 0.192) 5.313 5.240 ( -0.502 3.728 -0.322) 3.775 5.257 ( 1.382 0.851 0.554) 1.715 5.345 ( -1.976 2.047 -1.050) 3.033 5.383 ( 1.229 -7.018 1.591) 7.300 5.447 ( 1.034 -3.498 -0.310) 3.661 5.513 ( 1.412 0.812 -0.361) 1.668 5.545 ( -0.123 -3.066 -0.227) 3.077 5.826 ( 0.398 0.245 -1.325) 1.405 5.833 ( 0.641 -0.114 -0.914) 1.122 5.849 ( 1.648 1.225 1.563) 2.581 5.884 ( 1.522 -1.898 1.465) 2.840 6.329 ( -3.635 4.736 0.404) 5.984 6.406 ( -2.966 -0.311 -1.111) 3.183 6.422 ( -2.944 1.268 0.891) 3.327 6.477 ( -2.596 -1.999 -0.420) 3.303 6.654 ( -0.954 0.253 0.017) 0.987 6.673 ( -1.209 -1.527 -0.460) 2.002 6.757 ( 0.977 1.776 0.797) 2.178 6.803 ( 1.057 -2.335 -0.313) 2.582 7.068 ( 2.165 0.638 -0.094) 2.259 7.084 ( 2.196 -0.922 -0.333) 2.405 7.117 ( 1.915 -0.217 0.001) 1.928 7.124 ( 1.571 -0.835 0.355) 1.814 14.255 ( 1.791 0.743 0.047) 1.940 14.271 ( 1.692 -0.807 0.038) 1.875 14.305 ( 0.448 0.975 0.003) 1.072 14.325 ( 0.696 -0.950 -0.190) 1.193 15.027 ( 0.043 0.920 -0.136) 0.931 15.044 ( 0.446 -0.662 0.254) 0.837 15.090 ( -2.274 1.150 -0.331) 2.570 15.114 ( -1.965 -1.089 -0.117) 2.250 15.397 ( -0.958 3.986 -0.408) 4.119 15.402 ( -1.188 3.428 0.052) 3.628 15.467 ( -0.071 -2.788 0.628) 2.859 15.492 ( -0.242 -4.269 -0.224) 4.281 15.845 ( 0.301 3.993 -0.091) 4.005 15.888 ( -0.029 3.661 -0.545) 3.701 15.926 ( 1.064 -3.346 -0.075) 3.512 15.958 ( 0.712 -2.860 -0.108) 2.949 16.102 ( 0.053 -0.449 -0.041) 0.454 16.126 ( 0.110 -2.657 0.595) 2.725 16.154 ( -0.796 -0.838 -0.269) 1.187 16.177 ( -0.137 -2.900 -0.407) 2.931 17.441 ( 0.258 1.487 0.548) 1.606 17.462 ( 0.941 -0.216 -0.636) 1.156 17.523 ( 0.620 -0.385 0.284) 0.783 17.538 ( 0.953 -1.664 -0.490) 1.979 17.926 ( -1.612 3.259 -0.028) 3.636 17.965 ( -1.412 0.602 -1.175) 1.933 18.014 ( -1.290 -1.152 1.099) 2.049 18.036 ( -1.322 -2.182 0.456) 2.592 18.165 ( 1.252 4.837 1.485) 5.212 18.242 ( 1.921 0.796 -1.707) 2.690 18.285 ( 1.366 -0.608 0.813) 1.701 18.353 ( 1.481 -3.857 -0.986) 4.248 18.688 ( -0.654 1.720 0.326) 1.869 18.711 ( -0.320 -0.528 0.769) 0.986 18.815 ( -0.431 2.354 0.428) 2.431 18.851 ( -0.053 -1.059 -0.309) 1.104 18.943 ( -2.714 4.532 0.455) 5.302 19.012 ( -2.079 -2.212 -0.754) 3.128 19.388 ( 3.569 2.471 0.302) 4.351 19.414 ( 3.900 -0.064 -0.055) 3.900 ======================= Grid point 91 (41/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 4.764 0.000 -5.241) 7.083 0.541 ( -4.764 0.000 5.241) 7.083 0.577 ( 0.438 0.000 -7.222) 7.235 0.577 ( -0.438 0.000 7.222) 7.235 1.166 ( 2.723 0.000 -13.247) 13.524 1.166 ( -2.723 0.000 13.247) 13.524 1.245 ( -1.191 0.000 0.123) 1.197 1.245 ( 1.191 0.000 -0.123) 1.197 1.437 ( -0.778 0.000 -0.259) 0.820 1.437 ( 0.778 0.000 0.259) 0.820 1.582 ( 1.337 0.000 -1.806) 2.247 1.582 ( -1.337 0.000 1.806) 2.247 1.799 ( -8.747 0.000 -5.128) 10.140 1.799 ( 8.747 0.000 5.128) 10.140 1.867 ( -0.737 0.000 -9.697) 9.725 1.867 ( 0.737 0.000 9.697) 9.725 2.024 ( -0.332 0.000 -1.052) 1.103 2.024 ( 0.332 0.000 1.052) 1.103 2.056 ( -2.696 0.000 -1.679) 3.176 2.056 ( 2.696 0.000 1.679) 3.176 2.324 ( 2.946 0.000 -4.520) 5.395 2.324 ( -2.946 0.000 4.520) 5.395 2.444 ( -1.980 0.000 -0.004) 1.980 2.444 ( 1.980 0.000 0.004) 1.980 2.659 ( 5.102 0.000 -3.731) 6.321 2.659 ( -5.102 0.000 3.731) 6.321 2.739 ( 2.443 0.000 -1.096) 2.678 2.739 ( -2.443 0.000 1.096) 2.678 2.934 ( 1.917 0.000 -3.482) 3.975 2.934 ( -1.917 0.000 3.482) 3.975 3.074 ( -5.688 0.000 -5.146) 7.671 3.074 ( 5.688 0.000 5.146) 7.671 3.187 ( 2.137 0.000 -2.604) 3.369 3.187 ( -2.137 0.000 2.604) 3.369 3.264 ( -1.011 0.000 -1.619) 1.909 3.264 ( 1.011 0.000 1.619) 1.909 3.335 ( -2.111 0.000 -3.780) 4.329 3.335 ( 2.111 0.000 3.780) 4.329 3.380 ( 1.768 0.000 -1.350) 2.224 3.380 ( -1.768 0.000 1.350) 2.224 3.412 ( 1.586 0.000 -2.209) 2.719 3.412 ( -1.586 0.000 2.209) 2.719 3.444 ( -5.679 0.000 0.733) 5.726 3.444 ( 5.679 0.000 -0.733) 5.726 3.658 ( -0.399 0.000 -1.569) 1.619 3.658 ( 0.399 0.000 1.569) 1.619 3.754 ( -1.123 0.000 0.166) 1.135 3.754 ( 1.123 0.000 -0.166) 1.135 3.769 ( -1.401 0.000 -2.901) 3.221 3.769 ( 1.401 0.000 2.901) 3.221 3.811 ( -1.522 0.000 0.334) 1.559 3.811 ( 1.522 0.000 -0.334) 1.559 3.950 ( 0.252 0.000 -2.603) 2.615 3.950 ( -0.252 0.000 2.603) 2.615 3.965 ( 0.975 0.000 -0.379) 1.046 3.965 ( -0.975 0.000 0.379) 1.046 4.014 ( -0.221 0.000 -1.330) 1.348 4.014 ( 0.221 0.000 1.330) 1.348 4.059 ( 2.144 0.000 -2.549) 3.331 4.059 ( -2.144 0.000 2.549) 3.331 4.185 ( 4.206 0.000 -1.526) 4.474 4.185 ( -4.206 0.000 1.526) 4.474 4.254 ( -2.965 0.000 0.620) 3.029 4.254 ( 2.965 0.000 -0.620) 3.029 4.291 ( -2.633 0.000 0.250) 2.645 4.291 ( 2.633 0.000 -0.250) 2.645 4.349 ( -0.263 0.000 -1.564) 1.586 4.349 ( 0.263 0.000 1.564) 1.586 4.425 ( -2.393 0.000 -0.009) 2.393 4.425 ( 2.393 0.000 0.009) 2.393 4.507 ( -0.353 0.000 -1.763) 1.798 4.507 ( 0.353 0.000 1.763) 1.798 4.520 ( -1.133 0.000 -0.034) 1.133 4.520 ( 1.133 0.000 0.034) 1.133 4.859 ( -4.780 0.000 -1.293) 4.952 4.859 ( 4.780 0.000 1.293) 4.952 4.951 ( -3.314 0.000 -4.344) 5.464 4.951 ( 3.314 0.000 4.344) 5.464 5.001 ( -0.314 0.000 -2.724) 2.742 5.001 ( 0.314 0.000 2.724) 2.742 5.055 ( -2.179 0.000 -0.542) 2.245 5.055 ( 2.179 0.000 0.542) 2.245 5.273 ( -3.890 0.000 -0.879) 3.988 5.273 ( 3.890 0.000 0.879) 3.988 5.368 ( 1.127 0.000 -2.283) 2.547 5.368 ( -1.127 0.000 2.283) 2.547 5.792 ( -0.586 0.000 -0.846) 1.029 5.792 ( 0.586 0.000 0.846) 1.029 5.855 ( -4.419 0.000 1.328) 4.614 5.855 ( 4.419 0.000 -1.328) 4.614 5.963 ( 2.691 0.000 -1.481) 3.071 5.963 ( -2.691 0.000 1.481) 3.071 6.046 ( 1.694 0.000 -3.381) 3.782 6.046 ( -1.694 0.000 3.381) 3.782 6.467 ( -0.490 0.000 -0.521) 0.715 6.467 ( 0.490 0.000 0.521) 0.715 6.708 ( 0.079 0.000 -1.103) 1.106 6.708 ( -0.079 0.000 1.103) 1.106 6.819 ( 0.324 0.000 -1.435) 1.471 6.819 ( -0.324 0.000 1.435) 1.471 7.073 ( 0.203 0.000 -1.548) 1.561 7.073 ( -0.203 0.000 1.548) 1.561 7.190 ( -0.237 0.000 -0.441) 0.501 7.190 ( 0.237 0.000 0.441) 0.501 14.256 ( -0.389 0.000 -0.415) 0.569 14.256 ( 0.389 0.000 0.415) 0.569 14.346 ( -0.415 0.000 -0.730) 0.840 14.346 ( 0.415 0.000 0.730) 0.840 14.990 ( -1.599 0.000 -0.403) 1.649 14.990 ( 1.599 0.000 0.403) 1.649 15.086 ( -1.440 0.000 -1.003) 1.755 15.086 ( 1.440 0.000 1.003) 1.755 15.289 ( 0.602 0.000 -0.587) 0.841 15.289 ( -0.602 0.000 0.587) 0.841 15.639 ( -3.983 0.000 -1.304) 4.191 15.639 ( 3.983 0.000 1.304) 4.191 15.692 ( -3.751 0.000 0.974) 3.876 15.692 ( 3.751 0.000 -0.974) 3.876 16.026 ( 0.041 0.000 -1.409) 1.409 16.026 ( -0.041 0.000 1.409) 1.409 16.266 ( -1.267 0.000 -0.858) 1.530 16.266 ( 1.267 0.000 0.858) 1.530 16.360 ( 0.475 0.000 -0.533) 0.714 16.360 ( -0.475 0.000 0.533) 0.714 17.349 ( 0.074 0.000 -0.075) 0.105 17.349 ( -0.074 0.000 0.075) 0.105 17.604 ( 1.780 0.000 -0.906) 1.997 17.604 ( -1.780 0.000 0.906) 1.997 17.870 ( 0.243 0.000 -1.868) 1.883 17.870 ( -0.243 0.000 1.868) 1.883 17.943 ( 2.162 0.000 -1.225) 2.485 17.943 ( -2.162 0.000 1.225) 2.485 18.135 ( -0.727 0.000 -0.078) 0.731 18.135 ( 0.727 0.000 0.078) 0.731 18.465 ( 0.395 0.000 -0.300) 0.496 18.465 ( -0.395 0.000 0.300) 0.496 18.608 ( -2.518 0.000 0.045) 2.519 18.608 ( 2.518 0.000 -0.045) 2.519 18.773 ( -0.104 0.000 -2.524) 2.526 18.773 ( 0.104 0.000 2.524) 2.526 19.016 ( -0.050 0.000 -0.105) 0.116 19.016 ( 0.050 0.000 0.105) 0.116 19.230 ( -0.769 0.000 0.102) 0.775 19.230 ( 0.769 0.000 -0.102) 0.775 ======================= Grid point 93 (42/56) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 10.719 0.000 -5.035) 11.842 0.593 ( 10.444 0.000 -9.405) 14.055 0.739 ( 12.021 0.000 6.221) 13.536 0.855 ( 17.098 0.000 11.024) 20.344 1.182 ( 5.640 0.000 -6.699) 8.757 1.205 ( 0.374 0.000 7.940) 7.949 1.278 ( 6.055 0.000 -6.109) 8.601 1.295 ( 1.431 0.000 3.395) 3.684 1.406 ( -2.372 0.000 0.393) 2.404 1.427 ( -1.930 0.000 -0.692) 2.050 1.619 ( 3.675 0.000 1.620) 4.017 1.621 ( -1.171 0.000 -6.611) 6.714 1.689 ( 6.713 0.000 0.294) 6.720 1.823 ( 3.873 0.000 -9.261) 10.038 1.960 ( 3.468 0.000 6.442) 7.316 1.970 ( 0.299 0.000 -1.703) 1.729 1.999 ( -0.983 0.000 -1.608) 1.885 2.019 ( 5.302 0.000 2.244) 5.757 2.064 ( 4.249 0.000 -0.550) 4.285 2.137 ( 5.548 0.000 -0.892) 5.620 2.295 ( -3.551 0.000 3.414) 4.926 2.352 ( 0.853 0.000 -1.817) 2.007 2.408 ( -2.679 0.000 5.127) 5.785 2.453 ( -0.247 0.000 -0.302) 0.390 2.560 ( -8.519 0.000 5.128) 9.943 2.661 ( -6.526 0.000 -0.127) 6.527 2.699 ( 1.354 0.000 -1.402) 1.949 2.736 ( -1.343 0.000 -3.578) 3.822 2.886 ( -3.204 0.000 1.502) 3.539 2.920 ( -1.057 0.000 -4.127) 4.260 2.971 ( -2.765 0.000 -2.251) 3.566 3.069 ( -6.676 0.000 3.729) 7.646 3.171 ( -3.349 0.000 1.333) 3.604 3.204 ( -4.817 0.000 0.537) 4.847 3.229 ( -0.653 0.000 1.532) 1.666 3.243 ( -4.134 0.000 -4.390) 6.030 3.270 ( -1.653 0.000 -1.462) 2.206 3.301 ( -0.620 0.000 -0.709) 0.942 3.352 ( -1.918 0.000 1.988) 2.763 3.354 ( -1.140 0.000 -0.932) 1.472 3.441 ( 0.422 0.000 -1.983) 2.028 3.446 ( -0.594 0.000 2.300) 2.376 3.464 ( 3.703 0.000 2.875) 4.688 3.559 ( 5.963 0.000 0.012) 5.963 3.611 ( -3.536 0.000 -2.359) 4.251 3.621 ( -5.506 0.000 2.277) 5.959 3.693 ( -2.357 0.000 -2.058) 3.129 3.727 ( -1.316 0.000 0.941) 1.617 3.765 ( -1.500 0.000 4.135) 4.398 3.769 ( -1.779 0.000 1.751) 2.496 3.803 ( -0.500 0.000 0.005) 0.500 3.844 ( 1.549 0.000 -0.825) 1.755 3.869 ( -4.981 0.000 -0.421) 4.999 3.872 ( -4.154 0.000 -1.485) 4.411 3.944 ( -0.731 0.000 -1.818) 1.959 3.956 ( -0.327 0.000 2.205) 2.229 4.031 ( -0.242 0.000 -0.888) 0.921 4.034 ( -1.355 0.000 -0.058) 1.357 4.060 ( 2.106 0.000 0.968) 2.318 4.101 ( 1.835 0.000 1.837) 2.597 4.129 ( -1.881 0.000 0.011) 1.881 4.173 ( -2.021 0.000 -0.851) 2.193 4.265 ( -0.583 0.000 0.383) 0.698 4.275 ( -0.202 0.000 -0.897) 0.920 4.292 ( 3.405 0.000 -0.818) 3.502 4.330 ( -0.157 0.000 -2.103) 2.109 4.372 ( 0.856 0.000 0.368) 0.932 4.372 ( -2.706 0.000 0.347) 2.728 4.400 ( 6.664 0.000 0.058) 6.664 4.428 ( 0.071 0.000 -0.224) 0.235 4.488 ( -0.968 0.000 0.384) 1.041 4.512 ( -0.195 0.000 -0.814) 0.838 4.534 ( 2.486 0.000 1.684) 3.003 4.584 ( 2.237 0.000 0.865) 2.399 4.755 ( -4.117 0.000 -1.749) 4.473 4.850 ( -2.921 0.000 -4.485) 5.352 4.938 ( 2.882 0.000 1.129) 3.096 4.963 ( -0.294 0.000 -2.536) 2.553 4.987 ( -1.057 0.000 3.010) 3.190 5.022 ( 2.558 0.000 2.755) 3.760 5.087 ( 2.498 0.000 0.555) 2.559 5.142 ( 3.440 0.000 -0.962) 3.572 5.231 ( 1.405 0.000 0.880) 1.658 5.289 ( -1.038 0.000 -1.143) 1.544 5.397 ( 2.810 0.000 -2.291) 3.626 5.430 ( 4.937 0.000 2.189) 5.401 5.715 ( -8.602 0.000 0.621) 8.624 5.752 ( -8.036 0.000 -0.620) 8.060 5.793 ( 0.661 0.000 -0.415) 0.781 5.818 ( 1.800 0.000 0.560) 1.885 5.975 ( -1.167 0.000 -3.899) 4.070 6.019 ( -2.696 0.000 3.684) 4.565 6.124 ( 12.171 0.000 0.349) 12.176 6.170 ( 11.232 0.000 -0.120) 11.233 6.488 ( 2.913 0.000 -0.519) 2.959 6.508 ( 3.402 0.000 0.637) 3.462 6.705 ( 0.398 0.000 -1.145) 1.212 6.706 ( -1.000 0.000 1.005) 1.417 6.815 ( -1.130 0.000 1.276) 1.705 6.816 ( 0.277 0.000 -1.141) 1.174 7.065 ( -0.275 0.000 -1.777) 1.798 7.083 ( -0.411 0.000 2.818) 2.848 7.170 ( -1.897 0.000 0.126) 1.902 7.178 ( -1.823 0.000 -0.141) 1.829 14.247 ( -0.367 0.000 -0.282) 0.463 14.263 ( 0.120 0.000 0.567) 0.579 14.325 ( -1.367 0.000 -0.864) 1.618 14.345 ( -0.978 0.000 0.588) 1.141 14.980 ( 0.449 0.000 0.036) 0.450 15.037 ( 3.006 0.000 0.720) 3.091 15.065 ( -0.132 0.000 -1.373) 1.379 15.123 ( 2.095 0.000 0.592) 2.176 15.281 ( -0.555 0.000 0.401) 0.685 15.298 ( 0.872 0.000 -0.371) 0.948 15.522 ( -6.428 0.000 -1.037) 6.511 15.569 ( -6.222 0.000 1.445) 6.388 15.780 ( 6.423 0.000 0.642) 6.455 15.800 ( 6.954 0.000 -0.796) 7.000 16.026 ( 0.755 0.000 -1.039) 1.284 16.036 ( 0.297 0.000 0.857) 0.907 16.220 ( -3.473 0.000 -0.432) 3.500 16.276 ( -0.474 0.000 0.383) 0.610 16.332 ( -2.897 0.000 0.403) 2.925 16.348 ( -1.362 0.000 -0.215) 1.379 17.357 ( 0.770 0.000 0.079) 0.774 17.358 ( 0.833 0.000 -0.071) 0.836 17.601 ( 0.411 0.000 1.276) 1.340 17.651 ( 2.651 0.000 1.256) 2.933 17.865 ( 0.440 0.000 -1.730) 1.785 17.876 ( -0.208 0.000 1.766) 1.778 17.926 ( -0.325 0.000 1.407) 1.444 17.982 ( 2.976 0.000 -1.487) 3.327 18.118 ( -0.434 0.000 -0.983) 1.075 18.135 ( -0.288 0.000 -1.218) 1.251 18.433 ( -2.867 0.000 0.160) 2.872 18.436 ( -2.710 0.000 -1.358) 3.031 18.592 ( -0.387 0.000 2.642) 2.671 18.667 ( 3.614 0.000 0.133) 3.616 18.766 ( 1.094 0.000 -2.853) 3.056 18.789 ( 0.223 0.000 1.467) 1.484 19.010 ( -1.199 0.000 0.260) 1.226 19.017 ( 0.309 0.000 0.082) 0.320 19.149 ( -7.757 0.000 -4.908) 9.179 19.170 ( -5.161 0.000 2.626) 5.791 ======================= Grid point 94 (43/56) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 12.139 0.000 -4.788) 13.049 0.772 ( 12.786 0.000 -5.109) 13.769 0.983 ( 10.669 0.000 5.825) 12.156 1.138 ( 3.804 0.000 11.057) 11.693 1.209 ( -3.958 0.000 4.839) 6.251 1.212 ( -5.680 0.000 5.346) 7.800 1.335 ( -1.930 0.000 -0.370) 1.965 1.358 ( 1.740 0.000 -5.174) 5.459 1.389 ( 8.523 0.000 -0.707) 8.552 1.457 ( 16.355 0.000 -11.946) 20.253 1.596 ( 1.987 0.000 -1.999) 2.819 1.679 ( 3.518 0.000 -5.344) 6.397 1.861 ( -2.797 0.000 -1.467) 3.159 1.883 ( 6.749 0.000 1.327) 6.878 1.939 ( 3.499 0.000 -2.311) 4.193 1.967 ( 0.005 0.000 -0.899) 0.899 2.054 ( 4.412 0.000 4.497) 6.300 2.078 ( 3.729 0.000 -0.425) 3.753 2.220 ( 4.683 0.000 -3.061) 5.595 2.222 ( 8.716 0.000 -1.122) 8.788 2.261 ( -1.390 0.000 3.978) 4.214 2.310 ( -2.976 0.000 -0.298) 2.991 2.401 ( -2.464 0.000 5.317) 5.861 2.412 ( -8.322 0.000 6.217) 10.387 2.494 ( 3.199 0.000 -3.556) 4.783 2.543 ( -5.146 0.000 3.382) 6.158 2.692 ( -2.047 0.000 -0.547) 2.119 2.694 ( -0.043 0.000 -0.966) 0.967 2.846 ( -4.775 0.000 -3.219) 5.759 2.896 ( 1.705 0.000 3.144) 3.576 2.908 ( -4.702 0.000 -1.623) 4.975 2.983 ( -4.426 0.000 2.005) 4.859 3.071 ( -6.369 0.000 0.155) 6.371 3.094 ( -9.978 0.000 -4.244) 10.843 3.108 ( -5.079 0.000 1.124) 5.202 3.211 ( -2.926 0.000 -1.851) 3.462 3.223 ( -2.806 0.000 2.751) 3.930 3.264 ( -3.784 0.000 -2.803) 4.709 3.297 ( -2.117 0.000 -1.326) 2.498 3.342 ( -7.226 0.000 -0.414) 7.238 3.370 ( 0.864 0.000 1.505) 1.735 3.410 ( -0.782 0.000 -2.393) 2.517 3.531 ( 2.237 0.000 0.740) 2.357 3.561 ( -2.417 0.000 1.102) 2.657 3.580 ( 0.694 0.000 -0.851) 1.098 3.633 ( 1.005 0.000 1.640) 1.923 3.691 ( 1.975 0.000 0.437) 2.023 3.726 ( 0.852 0.000 2.460) 2.604 3.758 ( -0.575 0.000 0.868) 1.041 3.765 ( -1.407 0.000 5.312) 5.496 3.793 ( -0.038 0.000 5.109) 5.109 3.821 ( -0.169 0.000 -2.659) 2.665 3.838 ( 0.464 0.000 -3.542) 3.572 3.867 ( 0.586 0.000 -1.763) 1.858 3.919 ( 0.552 0.000 -2.800) 2.854 3.961 ( -0.299 0.000 0.872) 0.922 4.000 ( -2.543 0.000 1.378) 2.892 4.006 ( -1.306 0.000 -2.786) 3.077 4.098 ( -0.708 0.000 2.674) 2.766 4.099 ( 2.327 0.000 -0.814) 2.465 4.151 ( 1.251 0.000 0.718) 1.442 4.160 ( 0.078 0.000 -0.220) 0.234 4.234 ( -3.715 0.000 1.878) 4.163 4.237 ( -1.595 0.000 -0.980) 1.872 4.296 ( -1.691 0.000 -2.545) 3.056 4.317 ( -1.053 0.000 -1.735) 2.030 4.349 ( 0.805 0.000 -0.399) 0.898 4.390 ( 1.959 0.000 -0.689) 2.077 4.460 ( 0.924 0.000 2.205) 2.390 4.463 ( 1.838 0.000 -1.811) 2.580 4.479 ( -1.550 0.000 -0.174) 1.560 4.500 ( -0.121 0.000 1.390) 1.395 4.583 ( 1.003 0.000 1.676) 1.953 4.597 ( 0.579 0.000 -0.826) 1.009 4.728 ( 0.773 0.000 0.907) 1.192 4.788 ( -1.847 0.000 -2.734) 3.299 4.967 ( 1.844 0.000 -1.444) 2.342 4.980 ( -0.915 0.000 2.505) 2.667 5.031 ( 6.404 0.000 -0.088) 6.405 5.094 ( 1.269 0.000 2.215) 2.553 5.138 ( 5.478 0.000 -0.008) 5.478 5.146 ( 0.439 0.000 -2.644) 2.680 5.262 ( -1.031 0.000 -2.223) 2.450 5.300 ( 2.309 0.000 2.453) 3.369 5.432 ( 2.256 0.000 -1.355) 2.631 5.494 ( 0.622 0.000 1.001) 1.178 5.582 ( -6.244 0.000 0.359) 6.255 5.614 ( -6.786 0.000 0.109) 6.787 5.817 ( 1.744 0.000 0.442) 1.799 5.853 ( 1.698 0.000 -0.208) 1.711 5.934 ( -0.787 0.000 -2.903) 3.008 5.978 ( -2.857 0.000 1.142) 3.076 6.338 ( 10.314 0.000 1.409) 10.410 6.359 ( 9.647 0.000 -0.634) 9.668 6.553 ( 4.564 0.000 -0.609) 4.605 6.570 ( 2.359 0.000 1.415) 2.751 6.676 ( -2.872 0.000 0.053) 2.872 6.703 ( -0.935 0.000 -0.956) 1.337 6.802 ( 0.196 0.000 0.020) 0.197 6.823 ( 0.896 0.000 0.006) 0.896 7.048 ( -0.366 0.000 -1.684) 1.724 7.072 ( -2.490 0.000 2.649) 3.636 7.124 ( -3.398 0.000 0.903) 3.516 7.127 ( -3.289 0.000 -0.576) 3.340 14.244 ( 0.236 0.000 -0.080) 0.250 14.266 ( -0.360 0.000 0.685) 0.774 14.298 ( -0.672 0.000 -0.981) 1.189 14.323 ( -1.579 0.000 0.425) 1.635 15.001 ( 1.543 0.000 0.499) 1.622 15.050 ( -0.351 0.000 -1.084) 1.139 15.104 ( 3.329 0.000 0.459) 3.360 15.154 ( 0.853 0.000 0.229) 0.883 15.282 ( 0.770 0.000 0.134) 0.782 15.323 ( 2.224 0.000 -0.157) 2.229 15.413 ( -5.286 0.000 -0.623) 5.323 15.472 ( -5.579 0.000 1.185) 5.703 15.885 ( 5.087 0.000 0.680) 5.132 15.912 ( 5.763 0.000 -0.990) 5.848 16.038 ( 0.868 0.000 -0.440) 0.973 16.043 ( 0.148 0.000 0.044) 0.154 16.159 ( -2.869 0.000 1.217) 3.116 16.238 ( -3.882 0.000 -1.343) 4.108 16.294 ( -0.829 0.000 0.465) 0.950 16.320 ( -1.688 0.000 0.305) 1.716 17.372 ( 0.751 0.000 0.149) 0.766 17.373 ( 0.795 0.000 -0.109) 0.802 17.624 ( 1.299 0.000 1.135) 1.725 17.678 ( -0.488 0.000 0.770) 0.912 17.869 ( 0.889 0.000 -1.268) 1.548 17.880 ( -0.421 0.000 1.534) 1.590 17.949 ( 1.502 0.000 2.371) 2.807 18.014 ( 1.222 0.000 -2.476) 2.761 18.119 ( 0.533 0.000 0.853) 1.006 18.124 ( 0.454 0.000 -1.658) 1.719 18.379 ( -2.439 0.000 -1.187) 2.712 18.381 ( -2.730 0.000 0.201) 2.737 18.614 ( 0.645 0.000 4.673) 4.717 18.709 ( 0.993 0.000 -3.148) 3.301 18.780 ( 1.866 0.000 -1.819) 2.606 18.797 ( 0.149 0.000 1.772) 1.778 18.971 ( -3.611 0.000 1.751) 4.013 18.972 ( -4.350 0.000 -7.920) 9.036 19.044 ( 1.237 0.000 -0.848) 1.500 19.110 ( -3.238 0.000 2.528) 4.108 ======================= Grid point 95 (44/56) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 1.697 0.000 -2.086) 2.689 0.895 ( -1.697 0.000 2.086) 2.689 1.118 ( 2.206 0.000 -4.311) 4.842 1.118 ( -2.206 0.000 4.311) 4.842 1.182 ( -1.961 0.000 -6.306) 6.604 1.182 ( 1.961 0.000 6.306) 6.604 1.301 ( 0.041 0.000 -0.609) 0.611 1.301 ( -0.041 0.000 0.609) 0.611 1.617 ( 2.509 0.000 -3.666) 4.443 1.617 ( -2.509 0.000 3.666) 4.443 1.642 ( -11.374 0.000 -0.954) 11.414 1.642 ( 11.374 0.000 0.954) 11.414 1.816 ( 8.284 0.000 -4.321) 9.344 1.816 ( -8.284 0.000 4.321) 9.344 1.973 ( 0.697 0.000 -0.418) 0.813 1.973 ( -0.697 0.000 0.418) 0.813 2.164 ( 2.463 0.000 -4.573) 5.194 2.164 ( -2.463 0.000 4.573) 5.194 2.263 ( -1.742 0.000 -1.399) 2.234 2.263 ( 1.742 0.000 1.399) 2.234 2.272 ( -2.084 0.000 -0.376) 2.117 2.272 ( 2.084 0.000 0.376) 2.117 2.352 ( -1.253 0.000 -2.875) 3.136 2.352 ( 1.253 0.000 2.875) 3.136 2.593 ( -7.678 0.000 2.337) 8.026 2.593 ( 7.678 0.000 -2.337) 8.026 2.669 ( -13.698 0.000 -4.527) 14.426 2.669 ( 13.698 0.000 4.527) 14.426 2.745 ( -4.436 0.000 -1.516) 4.688 2.745 ( 4.436 0.000 1.516) 4.688 2.946 ( 0.585 0.000 -2.124) 2.204 2.946 ( -0.585 0.000 2.124) 2.204 3.023 ( -1.309 0.000 -2.233) 2.588 3.023 ( 1.309 0.000 2.233) 2.588 3.074 ( -5.047 0.000 1.132) 5.172 3.074 ( 5.047 0.000 -1.132) 5.172 3.220 ( -0.062 0.000 -3.213) 3.214 3.220 ( 0.062 0.000 3.213) 3.214 3.285 ( 0.985 0.000 -0.528) 1.117 3.285 ( -0.985 0.000 0.528) 1.117 3.387 ( -0.405 0.000 -2.016) 2.056 3.387 ( 0.405 0.000 2.016) 2.056 3.542 ( 0.457 0.000 -1.277) 1.356 3.542 ( -0.457 0.000 1.277) 1.356 3.614 ( -2.366 0.000 -0.474) 2.413 3.614 ( 2.366 0.000 0.474) 2.413 3.732 ( -2.125 0.000 0.329) 2.150 3.732 ( 2.125 0.000 -0.329) 2.150 3.781 ( 2.219 0.000 -1.957) 2.959 3.781 ( -2.219 0.000 1.957) 2.959 3.804 ( -0.384 0.000 -0.676) 0.777 3.804 ( 0.384 0.000 0.676) 0.777 3.843 ( -1.227 0.000 -1.966) 2.318 3.843 ( 1.227 0.000 1.966) 2.318 3.948 ( 2.727 0.000 -1.913) 3.331 3.948 ( -2.727 0.000 1.913) 3.331 3.975 ( 1.069 0.000 -3.194) 3.368 3.975 ( -1.069 0.000 3.194) 3.368 4.128 ( -0.715 0.000 -4.002) 4.065 4.128 ( 0.715 0.000 4.002) 4.065 4.142 ( -1.116 0.000 -0.647) 1.290 4.142 ( 1.116 0.000 0.647) 1.290 4.212 ( 0.145 0.000 -2.785) 2.788 4.212 ( -0.145 0.000 2.785) 2.788 4.283 ( -1.288 0.000 -0.401) 1.349 4.283 ( 1.288 0.000 0.401) 1.349 4.382 ( -2.409 0.000 0.283) 2.425 4.382 ( 2.409 0.000 -0.283) 2.425 4.475 ( -2.046 0.000 0.083) 2.048 4.475 ( 2.046 0.000 -0.083) 2.048 4.482 ( 0.900 0.000 -1.358) 1.629 4.482 ( -0.900 0.000 1.358) 1.629 4.598 ( -0.055 0.000 -1.354) 1.356 4.598 ( 0.055 0.000 1.354) 1.356 4.755 ( -0.939 0.000 -1.783) 2.015 4.755 ( 0.939 0.000 1.783) 2.015 4.981 ( 0.865 0.000 -2.360) 2.513 4.981 ( -0.865 0.000 2.360) 2.513 5.101 ( 1.035 0.000 -1.328) 1.683 5.101 ( -1.035 0.000 1.328) 1.683 5.182 ( -3.983 0.000 0.160) 3.986 5.182 ( 3.983 0.000 -0.160) 3.986 5.277 ( -5.457 0.000 1.446) 5.646 5.277 ( 5.457 0.000 -1.446) 5.646 5.469 ( -2.750 0.000 0.692) 2.836 5.469 ( 2.750 0.000 -0.692) 2.836 5.540 ( -1.318 0.000 -0.540) 1.424 5.540 ( 1.318 0.000 0.540) 1.424 5.851 ( -1.289 0.000 -1.260) 1.802 5.851 ( 1.289 0.000 1.260) 1.802 5.938 ( 2.212 0.000 -0.972) 2.416 5.938 ( -2.212 0.000 0.972) 2.416 6.453 ( -0.173 0.000 -1.548) 1.557 6.453 ( 0.173 0.000 1.548) 1.557 6.614 ( -2.835 0.000 -1.284) 3.112 6.614 ( 2.835 0.000 1.284) 3.112 6.638 ( -5.309 0.000 0.611) 5.344 6.638 ( 5.309 0.000 -0.611) 5.344 6.828 ( 1.615 0.000 -1.457) 2.175 6.828 ( -1.615 0.000 1.457) 2.175 7.044 ( 1.301 0.000 -1.747) 2.178 7.044 ( -1.301 0.000 1.747) 2.178 7.088 ( 0.203 0.000 -0.595) 0.629 7.088 ( -0.203 0.000 0.595) 0.629 14.254 ( -0.918 0.000 0.144) 0.929 14.254 ( 0.918 0.000 -0.144) 0.929 14.301 ( 1.125 0.000 -0.473) 1.221 14.301 ( -1.125 0.000 0.473) 1.221 15.031 ( -1.240 0.000 -0.883) 1.522 15.031 ( 1.240 0.000 0.883) 1.522 15.150 ( -1.403 0.000 -0.149) 1.411 15.150 ( 1.403 0.000 0.149) 1.411 15.320 ( -3.331 0.000 -0.192) 3.337 15.320 ( 3.331 0.000 0.192) 3.337 15.390 ( -4.049 0.000 0.722) 4.113 15.390 ( 4.049 0.000 -0.722) 4.113 15.953 ( -1.131 0.000 -1.401) 1.800 15.953 ( 1.131 0.000 1.401) 1.800 16.043 ( -0.103 0.000 -0.104) 0.147 16.043 ( 0.103 0.000 0.104) 0.147 16.162 ( -2.390 0.000 -2.287) 3.308 16.162 ( 2.390 0.000 2.287) 3.308 16.297 ( -0.919 0.000 0.221) 0.945 16.297 ( 0.919 0.000 -0.221) 0.945 17.380 ( 0.024 0.000 -0.177) 0.178 17.380 ( -0.024 0.000 0.177) 0.178 17.655 ( -1.597 0.000 -0.743) 1.762 17.655 ( 1.597 0.000 0.743) 1.762 17.877 ( 0.740 0.000 -1.288) 1.485 17.877 ( -0.740 0.000 1.288) 1.485 17.993 ( -1.501 0.000 -2.836) 3.208 17.993 ( 1.501 0.000 2.836) 3.208 18.130 ( 0.774 0.000 -2.394) 2.516 18.130 ( -0.774 0.000 2.394) 2.516 18.353 ( 0.263 0.000 -0.295) 0.395 18.353 ( -0.263 0.000 0.295) 0.395 18.666 ( -1.781 0.000 -5.835) 6.101 18.666 ( 1.781 0.000 5.835) 6.101 18.803 ( 1.216 0.000 -1.246) 1.741 18.803 ( -1.216 0.000 1.246) 1.741 18.924 ( 2.678 0.000 -4.446) 5.190 18.924 ( -2.678 0.000 4.446) 5.190 19.074 ( 2.213 0.000 -0.978) 2.420 19.074 ( -2.213 0.000 0.978) 2.420 ======================= Grid point 99 (45/56) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -1.859 10.083 -10.605) 14.751 0.672 ( 1.859 10.083 10.605) 14.751 0.735 ( -4.000 13.481 -8.426) 16.393 0.735 ( 4.000 13.481 8.426) 16.393 1.142 ( 1.886 0.280 -8.598) 8.807 1.142 ( -1.886 0.280 8.598) 8.807 1.339 ( -1.058 6.813 -2.433) 7.311 1.339 ( 1.058 6.813 2.433) 7.311 1.468 ( -0.379 3.703 -1.094) 3.880 1.468 ( 0.379 3.703 1.094) 3.880 1.628 ( 4.282 4.067 -3.925) 7.091 1.628 ( -4.282 4.067 3.925) 7.091 1.779 ( -6.663 -2.382 -4.357) 8.310 1.779 ( 6.663 -2.382 4.357) 8.310 1.878 ( 3.854 -0.116 -4.812) 6.166 1.878 ( -3.854 -0.116 4.812) 6.166 2.042 ( -1.119 2.723 -0.983) 3.104 2.042 ( 1.119 2.723 0.983) 3.104 2.110 ( 0.630 4.209 -3.171) 5.307 2.110 ( -0.630 4.209 3.171) 5.307 2.325 ( -1.115 0.485 -3.345) 3.559 2.325 ( 1.115 0.485 3.345) 3.559 2.456 ( 0.448 1.006 -0.418) 1.178 2.456 ( -0.448 1.006 0.418) 1.178 2.580 ( 1.988 -5.632 -3.544) 6.945 2.580 ( -1.988 -5.632 3.544) 6.945 2.731 ( -1.487 -2.559 -4.450) 5.344 2.731 ( 1.487 -2.559 4.450) 5.344 2.925 ( 1.399 0.098 -2.451) 2.824 2.925 ( -1.399 0.098 2.451) 2.824 3.086 ( -3.430 0.770 -4.098) 5.399 3.086 ( 3.430 0.770 4.098) 5.399 3.189 ( 0.381 1.280 -2.495) 2.829 3.189 ( -0.381 1.280 2.495) 2.829 3.246 ( -0.194 -0.407 -2.208) 2.253 3.246 ( 0.194 -0.407 2.208) 2.253 3.348 ( -0.633 -2.358 -2.305) 3.358 3.348 ( 0.633 -2.358 2.305) 3.358 3.380 ( -0.166 -1.377 -2.530) 2.885 3.380 ( 0.166 -1.377 2.530) 2.885 3.432 ( -2.791 3.027 -1.303) 4.319 3.432 ( 2.791 3.027 1.303) 4.319 3.450 ( -1.961 1.877 -1.173) 2.957 3.450 ( 1.961 1.877 1.173) 2.957 3.644 ( -1.450 -1.285 -1.079) 2.217 3.644 ( 1.450 -1.285 1.079) 2.217 3.714 ( -1.306 -2.858 -0.306) 3.157 3.714 ( 1.306 -2.858 0.306) 3.157 3.748 ( -0.466 -0.236 -1.636) 1.718 3.748 ( 0.466 -0.236 1.636) 1.718 3.851 ( 0.192 0.802 -2.445) 2.580 3.851 ( -0.192 0.802 2.445) 2.580 3.892 ( -5.232 -3.620 -1.614) 6.564 3.892 ( 5.232 -3.620 1.614) 6.564 3.962 ( -0.861 -0.361 -1.679) 1.921 3.962 ( 0.861 -0.361 1.679) 1.921 4.043 ( -0.395 -1.757 -1.491) 2.338 4.043 ( 0.395 -1.757 1.491) 2.338 4.057 ( -2.910 0.852 -1.499) 3.383 4.057 ( 2.910 0.852 1.499) 3.383 4.147 ( -1.967 -1.845 -1.857) 3.274 4.147 ( 1.967 -1.845 1.857) 3.274 4.203 ( -2.266 -0.173 -1.593) 2.775 4.203 ( 2.266 -0.173 1.593) 2.775 4.301 ( -0.380 0.531 -0.513) 0.830 4.301 ( 0.380 0.531 0.513) 0.830 4.384 ( -1.387 0.440 0.246) 1.476 4.384 ( 1.387 0.440 -0.246) 1.476 4.444 ( -1.652 2.171 -1.001) 2.906 4.444 ( 1.652 2.171 1.001) 2.906 4.546 ( 0.455 3.267 -1.340) 3.560 4.546 ( -0.455 3.267 1.340) 3.560 4.584 ( -1.449 4.358 -0.685) 4.643 4.584 ( 1.449 4.358 0.685) 4.643 4.783 ( -3.491 -5.598 -3.597) 7.514 4.783 ( 3.491 -5.598 3.597) 7.514 4.899 ( -2.180 -2.996 -3.367) 5.006 4.899 ( 2.180 -2.996 3.367) 5.006 5.044 ( -1.352 -0.640 0.059) 1.497 5.044 ( 1.352 -0.640 -0.059) 1.497 5.090 ( -0.250 4.914 -1.266) 5.081 5.090 ( 0.250 4.914 1.266) 5.081 5.232 ( -5.493 -2.273 -2.173) 6.329 5.232 ( 5.493 -2.273 2.173) 6.329 5.415 ( -1.132 3.295 -1.881) 3.960 5.415 ( 1.132 3.295 1.881) 3.960 5.770 ( -0.703 -3.442 -1.564) 3.845 5.770 ( 0.703 -3.442 1.564) 3.845 5.840 ( -5.829 -1.520 0.715) 6.066 5.840 ( 5.829 -1.520 -0.715) 6.066 5.904 ( -4.839 -1.755 -1.575) 5.383 5.904 ( 4.839 -1.755 1.575) 5.383 6.123 ( -1.323 4.892 -1.736) 5.357 6.123 ( 1.323 4.892 1.736) 5.357 6.465 ( -0.434 -0.186 -1.009) 1.114 6.465 ( 0.434 -0.186 1.009) 1.114 6.696 ( 0.029 -1.082 -1.006) 1.478 6.696 ( -0.029 -1.082 1.006) 1.478 6.815 ( 0.146 -0.341 -1.982) 2.017 6.815 ( -0.146 -0.341 1.982) 2.017 7.085 ( -0.865 0.786 -0.620) 1.323 7.085 ( 0.865 0.786 0.620) 1.323 7.180 ( -0.159 -0.933 -0.405) 1.030 7.180 ( 0.159 -0.933 0.405) 1.030 14.256 ( -0.425 0.102 -0.488) 0.656 14.256 ( 0.425 0.102 0.488) 0.656 14.342 ( -0.416 -0.389 -0.839) 1.014 14.342 ( 0.416 -0.389 0.839) 1.014 14.999 ( -1.551 0.777 -0.445) 1.791 14.999 ( 1.551 0.777 0.445) 1.791 15.088 ( -1.393 0.163 -0.999) 1.722 15.088 ( 1.393 0.163 0.999) 1.722 15.297 ( 0.457 0.802 -0.569) 1.084 15.297 ( -0.457 0.802 0.569) 1.084 15.617 ( -2.081 -2.151 -1.370) 3.291 15.617 ( 2.081 -2.151 1.370) 3.291 15.713 ( 1.370 2.062 -0.901) 2.634 15.713 ( -1.370 2.062 0.901) 2.634 16.013 ( -0.091 -1.127 -1.057) 1.548 16.013 ( 0.091 -1.127 1.057) 1.548 16.231 ( -1.439 -3.051 -0.846) 3.478 16.231 ( 1.439 -3.051 0.846) 3.478 16.326 ( -0.449 -3.241 0.114) 3.274 16.326 ( 0.449 -3.241 -0.114) 3.274 17.379 ( 0.215 2.395 -0.902) 2.569 17.379 ( -0.215 2.395 0.902) 2.569 17.597 ( 0.062 -0.858 -0.938) 1.273 17.597 ( -0.062 -0.858 0.938) 1.273 17.865 ( 0.203 0.037 -1.993) 2.003 17.865 ( -0.203 0.037 1.993) 2.003 17.985 ( 0.616 3.462 -1.281) 3.743 17.985 ( -0.616 3.462 1.281) 3.743 18.123 ( -0.565 -0.805 -0.498) 1.102 18.123 ( 0.565 -0.805 0.498) 1.102 18.460 ( -0.716 -0.962 -0.833) 1.460 18.460 ( 0.716 -0.962 0.833) 1.460 18.627 ( -2.403 1.893 -0.454) 3.092 18.627 ( 2.403 1.893 0.454) 3.092 18.784 ( 0.053 0.963 -2.760) 2.924 18.784 ( -0.053 0.963 2.760) 2.924 18.951 ( -0.049 -3.077 -3.959) 5.014 18.951 ( 0.049 -3.077 3.959) 5.014 19.317 ( -1.171 5.409 -2.366) 6.019 19.317 ( 1.171 5.409 2.366) 6.019 ======================= Grid point 101 (46/56) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 4.694 6.965 -9.155) 12.424 0.721 ( 4.567 7.875 4.497) 10.154 0.846 ( 10.866 8.316 -2.881) 13.983 0.955 ( 10.470 7.389 10.367) 16.483 1.171 ( 4.378 1.770 -1.453) 4.941 1.220 ( 6.281 2.212 1.150) 6.758 1.319 ( 0.724 3.040 -2.151) 3.794 1.357 ( -1.788 5.702 2.337) 6.417 1.465 ( 0.021 4.391 0.661) 4.441 1.486 ( 1.162 5.239 -1.642) 5.612 1.595 ( 0.953 0.032 -4.354) 4.457 1.642 ( -1.208 1.291 -0.258) 1.786 1.701 ( 3.720 0.992 -3.866) 5.456 1.832 ( -0.041 -0.508 -1.109) 1.221 1.885 ( 2.715 -3.529 0.116) 4.454 2.009 ( 8.028 1.729 -0.262) 8.217 2.065 ( 3.359 1.015 2.010) 4.044 2.090 ( 2.977 6.874 1.302) 7.603 2.109 ( -0.592 2.596 0.893) 2.809 2.131 ( 2.808 1.455 -2.204) 3.855 2.241 ( -3.280 -1.508 -0.955) 3.734 2.350 ( -1.069 0.407 -2.080) 2.374 2.436 ( -2.938 -1.747 2.077) 4.000 2.473 ( 0.155 1.064 3.218) 3.393 2.528 ( -3.952 -0.098 5.673) 6.915 2.609 ( 1.438 -5.701 -2.001) 6.211 2.652 ( -3.310 -1.643 -2.426) 4.421 2.765 ( -0.653 0.082 1.853) 1.966 2.872 ( -3.547 -0.193 0.019) 3.552 2.915 ( -3.538 1.356 -2.363) 4.466 2.989 ( -2.912 1.374 -3.513) 4.766 3.080 ( -5.000 -0.485 3.188) 5.950 3.170 ( -3.536 1.816 1.287) 4.179 3.186 ( -6.961 -1.540 -0.381) 7.139 3.219 ( -0.386 -1.150 1.083) 1.626 3.233 ( -1.054 -0.628 -1.838) 2.210 3.255 ( -2.516 -1.603 -0.586) 3.040 3.318 ( -2.848 -2.189 1.235) 3.798 3.346 ( -2.249 0.965 -1.377) 2.808 3.381 ( -1.713 1.963 1.129) 2.839 3.419 ( -0.831 -0.216 -0.758) 1.146 3.439 ( 0.977 -0.507 0.024) 1.101 3.500 ( 1.293 1.609 1.116) 2.347 3.545 ( 4.326 -1.225 -0.133) 4.498 3.587 ( -0.592 0.620 0.933) 1.267 3.642 ( -1.855 0.579 0.953) 2.164 3.673 ( -0.216 -1.375 -0.774) 1.592 3.713 ( -1.994 -0.521 1.277) 2.424 3.746 ( -0.161 0.339 0.332) 0.501 3.777 ( 1.589 -1.404 -1.358) 2.518 3.797 ( -2.474 -2.225 1.839) 3.801 3.834 ( -0.480 1.712 -0.684) 1.905 3.871 ( -3.304 -1.960 -0.083) 3.843 3.895 ( -2.402 1.882 -0.106) 3.053 3.946 ( -1.391 0.991 -0.578) 1.803 3.993 ( -0.729 -0.627 -0.895) 1.314 4.000 ( 1.104 0.843 1.103) 1.774 4.035 ( -0.397 -0.729 -0.240) 0.864 4.069 ( 1.433 -2.676 1.177) 3.256 4.097 ( 1.194 1.169 -0.042) 1.672 4.119 ( -0.078 1.039 1.165) 1.562 4.175 ( 0.739 -0.384 -0.482) 0.962 4.226 ( 3.855 -1.400 0.091) 4.102 4.274 ( 3.305 -0.452 -0.045) 3.336 4.286 ( -0.939 -0.578 -1.723) 2.045 4.304 ( 0.596 -0.441 -0.214) 0.772 4.369 ( -0.924 -1.029 -0.113) 1.388 4.397 ( -3.206 2.177 0.326) 3.889 4.404 ( 1.747 -0.327 -1.540) 2.352 4.452 ( -0.732 2.239 1.471) 2.777 4.532 ( -1.162 3.715 0.464) 3.920 4.548 ( -0.183 2.304 0.231) 2.323 4.583 ( 1.136 3.345 0.126) 3.534 4.625 ( 1.311 3.097 0.685) 3.432 4.705 ( -2.152 -3.357 -2.212) 4.560 4.816 ( -3.241 -2.869 -3.801) 5.761 4.863 ( 3.814 -4.855 2.810) 6.783 4.905 ( -0.714 -2.225 -0.478) 2.385 5.051 ( 1.838 -0.086 0.127) 1.844 5.066 ( 0.647 3.522 0.214) 3.587 5.097 ( 0.638 0.274 0.714) 0.996 5.146 ( 0.879 1.841 -0.670) 2.148 5.190 ( 4.333 -1.735 0.855) 4.745 5.335 ( 3.530 0.403 0.933) 3.674 5.379 ( -0.038 1.519 -1.786) 2.345 5.461 ( 2.231 1.856 0.774) 3.004 5.689 ( -6.795 -3.168 -0.275) 7.502 5.721 ( -7.155 -2.972 0.206) 7.750 5.796 ( 0.158 0.277 0.213) 0.384 5.823 ( 0.599 0.488 -0.314) 0.834 5.931 ( 1.669 -3.397 -2.687) 4.642 5.969 ( 0.395 -2.980 2.270) 3.767 6.165 ( 7.801 3.656 -0.773) 8.650 6.223 ( 8.302 3.684 0.772) 9.115 6.481 ( 2.742 -0.549 -0.934) 2.948 6.503 ( 2.949 -0.447 0.832) 3.096 6.693 ( 0.323 -1.036 -0.959) 1.448 6.697 ( -0.676 -0.807 0.927) 1.403 6.804 ( -0.158 -0.817 -1.225) 1.481 6.816 ( -0.891 -0.126 1.296) 1.577 7.054 ( -1.568 -0.207 0.073) 1.583 7.102 ( -0.357 0.681 0.520) 0.928 7.158 ( -2.175 -1.166 -0.032) 2.468 7.169 ( -1.614 -0.797 0.138) 1.805 14.243 ( -0.614 -0.149 -0.421) 0.759 14.263 ( -0.018 -0.027 0.767) 0.767 14.321 ( -1.302 -0.364 -0.977) 1.667 14.342 ( -0.870 -0.293 0.633) 1.115 14.987 ( 0.329 0.705 -0.021) 0.778 15.043 ( 2.754 0.545 0.790) 2.916 15.067 ( -0.118 0.227 -1.370) 1.394 15.124 ( 2.042 0.090 0.648) 2.144 15.290 ( -0.283 0.967 0.310) 1.054 15.308 ( 1.056 1.027 -0.282) 1.500 15.526 ( -5.543 0.277 -0.994) 5.638 15.571 ( -5.308 -0.139 1.356) 5.481 15.776 ( 5.510 -0.013 0.655) 5.549 15.794 ( 6.039 -0.326 -0.745) 6.094 16.010 ( 0.369 -1.355 -0.396) 1.459 16.028 ( 0.860 -0.813 0.215) 1.203 16.188 ( -2.911 -2.692 -0.277) 3.975 16.248 ( -0.001 -2.576 0.433) 2.612 16.299 ( -2.462 -3.067 -0.015) 3.933 16.318 ( -1.141 -2.841 0.051) 3.062 17.380 ( 0.325 1.945 -0.226) 1.985 17.382 ( 0.160 2.050 0.297) 2.078 17.585 ( -0.183 -1.387 0.904) 1.666 17.630 ( 1.374 -1.972 0.610) 2.480 17.863 ( 0.790 0.184 -0.695) 1.069 17.892 ( 1.718 0.888 1.488) 2.440 17.959 ( -1.614 3.239 0.824) 3.712 18.015 ( 1.885 2.884 -0.535) 3.487 18.106 ( -0.560 -0.866 -1.302) 1.661 18.133 ( 0.572 -0.113 -0.408) 0.711 18.418 ( -3.062 -1.088 -0.981) 3.395 18.445 ( -2.376 -0.328 -0.236) 2.410 18.602 ( -0.507 1.235 1.979) 2.388 18.686 ( 3.384 1.726 -0.303) 3.811 18.774 ( 0.719 1.068 -2.215) 2.563 18.801 ( 0.296 0.784 1.698) 1.893 18.929 ( 0.136 -3.440 -4.825) 5.927 18.977 ( 0.579 -1.395 3.430) 3.748 19.230 ( -6.467 6.024 -0.483) 8.851 19.290 ( -4.705 6.358 0.280) 7.915 ======================= Grid point 102 (47/56) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 13.359 1.517 -5.367) 14.476 0.864 ( 9.152 5.069 -2.382) 10.730 1.019 ( 9.472 2.682 1.573) 9.969 1.140 ( 3.650 0.870 9.237) 9.970 1.190 ( -4.411 0.735 5.582) 7.153 1.240 ( -10.015 1.386 2.703) 10.466 1.296 ( 1.429 0.077 -1.116) 1.815 1.426 ( -3.273 4.121 -4.705) 7.059 1.445 ( 11.562 5.023 -0.723) 12.627 1.546 ( 8.401 5.609 -4.970) 11.258 1.617 ( 5.726 -1.103 -3.828) 6.976 1.695 ( 2.120 0.454 -3.315) 3.961 1.788 ( 6.950 -2.260 0.552) 7.329 1.811 ( -1.461 -0.984 -1.494) 2.310 1.928 ( 1.242 -3.694 1.737) 4.266 2.003 ( -5.836 1.652 -0.512) 6.087 2.069 ( -0.536 0.583 0.296) 0.846 2.148 ( 4.367 1.133 -1.826) 4.867 2.182 ( 2.985 -1.620 -1.297) 3.635 2.205 ( 2.461 -1.666 2.550) 3.916 2.278 ( 9.071 4.318 1.183) 10.115 2.301 ( -1.766 0.285 -1.891) 2.604 2.405 ( -2.862 -1.020 2.741) 4.092 2.426 ( -3.433 -1.587 2.561) 4.568 2.534 ( -4.679 4.673 4.374) 7.929 2.593 ( 2.547 0.053 -1.619) 3.019 2.627 ( -0.809 -1.535 -1.437) 2.253 2.724 ( -2.592 3.161 1.133) 4.242 2.805 ( -3.771 0.062 -1.391) 4.020 2.844 ( -3.478 -4.452 -0.478) 5.670 2.935 ( -3.331 -0.146 0.806) 3.430 3.002 ( -5.125 -0.221 1.000) 5.226 3.070 ( -2.693 0.524 4.096) 4.930 3.095 ( -3.867 0.785 -2.082) 4.461 3.120 ( -8.075 1.447 -1.847) 8.409 3.218 ( -1.797 0.948 -2.720) 3.395 3.232 ( -2.207 1.524 1.928) 3.304 3.266 ( -1.258 -0.456 -0.335) 1.380 3.317 ( -1.704 0.707 -1.034) 2.115 3.343 ( -4.595 0.770 -0.594) 4.697 3.377 ( 0.657 1.749 1.553) 2.429 3.432 ( -0.267 1.719 -2.106) 2.732 3.525 ( 1.155 -0.372 0.960) 1.548 3.574 ( -0.396 -0.168 -0.597) 0.736 3.608 ( -0.849 2.772 -0.483) 2.939 3.638 ( 0.755 0.045 0.641) 0.991 3.692 ( 1.285 -0.682 0.360) 1.498 3.718 ( 2.034 -0.433 2.422) 3.192 3.750 ( 0.938 0.702 1.884) 2.219 3.771 ( -1.410 0.361 -0.242) 1.475 3.787 ( -0.430 0.558 4.161) 4.220 3.804 ( -1.041 -2.714 -2.500) 3.834 3.836 ( 0.560 0.087 -1.810) 1.897 3.882 ( -0.803 0.479 2.216) 2.405 3.901 ( -2.441 1.436 -1.544) 3.226 3.970 ( -1.650 -0.451 -2.617) 3.126 3.998 ( 0.233 0.997 -0.232) 1.050 4.026 ( -1.216 0.601 1.044) 1.711 4.104 ( 1.681 0.593 2.721) 3.253 4.124 ( 2.156 1.446 -0.808) 2.719 4.155 ( 1.438 0.939 1.259) 2.130 4.187 ( 0.861 1.351 -0.409) 1.653 4.230 ( -1.394 0.805 -0.685) 1.750 4.259 ( -1.323 -0.651 -0.645) 1.610 4.296 ( -0.744 -0.079 -2.387) 2.502 4.322 ( 0.281 -0.065 -0.927) 0.971 4.335 ( -1.937 1.504 0.209) 2.462 4.371 ( 0.834 -2.835 0.212) 2.963 4.430 ( 0.757 -2.131 -0.436) 2.303 4.460 ( 0.656 -0.378 0.279) 0.807 4.509 ( -0.613 3.294 -0.043) 3.351 4.537 ( -1.371 1.890 1.463) 2.756 4.595 ( 0.102 1.988 -0.320) 2.016 4.623 ( -1.018 1.406 0.346) 1.770 4.716 ( 2.088 -0.337 0.936) 2.313 4.764 ( -0.957 -2.262 -2.191) 3.291 4.897 ( 1.895 -3.077 -0.345) 3.630 4.958 ( 2.995 -2.195 0.210) 3.719 5.068 ( 2.296 -1.395 -1.352) 3.007 5.096 ( 2.294 1.887 0.103) 2.972 5.121 ( 1.348 -0.420 0.184) 1.424 5.173 ( 1.615 1.524 2.298) 3.196 5.261 ( 2.001 -0.076 -0.486) 2.061 5.343 ( -0.274 3.518 -0.686) 3.594 5.416 ( 2.647 -1.667 -0.268) 3.140 5.482 ( -0.550 -0.688 0.792) 1.184 5.576 ( -5.559 -1.823 -0.330) 5.860 5.596 ( -5.740 -0.990 0.163) 5.827 5.815 ( 1.424 -0.224 0.548) 1.542 5.848 ( 1.430 -0.648 -0.348) 1.608 5.917 ( -0.258 -1.540 -2.392) 2.856 5.958 ( -2.023 -1.902 1.095) 2.984 6.335 ( 9.676 0.419 0.339) 9.691 6.378 ( 8.005 1.476 -0.001) 8.139 6.542 ( 4.439 -0.954 -0.817) 4.613 6.561 ( 2.437 -0.836 1.357) 2.912 6.673 ( -2.536 -0.215 0.043) 2.545 6.690 ( -0.990 -1.004 -0.797) 1.620 6.796 ( -0.398 -0.651 0.512) 0.919 6.810 ( 0.499 -1.126 -0.477) 1.320 7.035 ( -0.531 -0.624 0.084) 0.823 7.079 ( -2.199 0.106 0.469) 2.251 7.109 ( -2.936 -1.214 0.017) 3.177 7.124 ( -3.473 -0.573 0.310) 3.533 14.236 ( 0.080 -0.596 -0.273) 0.660 14.262 ( -0.838 -0.488 0.831) 1.277 14.297 ( -0.344 -0.122 -1.024) 1.087 14.323 ( -1.452 -0.108 0.460) 1.527 15.005 ( 1.356 0.396 0.409) 1.471 15.052 ( -0.482 0.115 -0.979) 1.097 15.106 ( 3.057 0.152 0.455) 3.095 15.155 ( 0.775 0.019 0.280) 0.824 15.297 ( 1.198 1.569 0.191) 1.983 15.336 ( 2.280 1.292 -0.158) 2.626 15.430 ( -4.707 1.513 -0.695) 4.993 15.484 ( -5.195 0.988 1.107) 5.402 15.873 ( 4.915 -1.156 0.509) 5.075 15.894 ( 5.356 -1.401 -0.681) 5.578 16.017 ( 0.177 -1.883 0.202) 1.902 16.035 ( -0.444 -1.226 -0.524) 1.405 16.143 ( -1.754 -1.370 1.065) 2.467 16.219 ( -3.277 -1.834 -1.222) 3.949 16.268 ( -0.419 -2.368 0.300) 2.424 16.295 ( -1.512 -2.392 0.399) 2.858 17.387 ( 0.306 1.262 0.498) 1.391 17.389 ( 0.588 1.454 -0.486) 1.643 17.595 ( 0.716 -2.406 0.845) 2.649 17.637 ( -0.768 -3.230 0.302) 3.334 17.882 ( 1.645 1.037 -0.815) 2.108 17.927 ( -0.581 3.860 1.554) 4.201 17.948 ( 1.277 0.097 1.523) 1.989 18.030 ( -0.311 1.861 -1.228) 2.251 18.102 ( 1.167 -0.907 -0.468) 1.551 18.142 ( 0.562 0.825 -0.530) 1.130 18.362 ( -2.183 -1.002 -0.516) 2.456 18.393 ( -2.812 -0.016 -0.596) 2.875 18.623 ( 0.810 0.989 4.271) 4.458 18.713 ( 0.400 0.496 -3.918) 3.969 18.790 ( 1.765 1.010 -0.846) 2.202 18.813 ( 0.041 0.887 1.732) 1.946 18.910 ( 1.392 -0.811 -4.903) 5.161 18.995 ( -1.458 1.209 2.619) 3.232 19.126 ( -3.408 5.892 -0.253) 6.811 19.200 ( -4.654 5.990 -0.413) 7.596 ======================= Grid point 103 (48/56) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -3.858 2.751 -1.149) 4.876 0.923 ( 3.858 2.751 1.149) 4.876 1.117 ( 1.882 -1.635 -6.280) 6.756 1.117 ( -1.882 -1.635 6.280) 6.756 1.176 ( -3.605 2.564 -1.071) 4.552 1.176 ( 3.605 2.564 1.071) 4.552 1.324 ( -3.651 1.616 -4.023) 5.668 1.324 ( 3.651 1.616 4.023) 5.668 1.633 ( -1.909 0.017 -4.733) 5.104 1.633 ( 1.909 0.017 4.733) 5.104 1.668 ( 4.815 0.202 -3.899) 6.198 1.668 ( -4.815 0.202 3.899) 6.198 1.792 ( 2.889 0.240 -3.256) 4.359 1.792 ( -2.889 0.240 3.256) 4.359 1.957 ( -0.257 -0.634 -0.823) 1.070 1.957 ( 0.257 -0.634 0.823) 1.070 2.132 ( -2.503 -2.534 -2.866) 4.572 2.132 ( 2.503 -2.534 2.866) 4.572 2.209 ( 2.226 -2.580 -4.461) 5.614 2.209 ( -2.226 -2.580 4.461) 5.614 2.319 ( 1.459 2.008 -4.157) 4.842 2.319 ( -1.459 2.008 4.157) 4.842 2.421 ( -2.111 1.798 -1.354) 3.086 2.421 ( 2.111 1.798 1.354) 3.086 2.532 ( -7.563 -1.137 -2.706) 8.113 2.532 ( 7.563 -1.137 2.706) 8.113 2.686 ( -4.681 0.386 -0.550) 4.729 2.686 ( 4.681 0.386 0.550) 4.729 2.770 ( -1.681 0.658 -1.234) 2.187 2.770 ( 1.681 0.658 1.234) 2.187 2.916 ( -3.362 0.391 -1.629) 3.756 2.916 ( 3.362 0.391 1.629) 3.756 3.042 ( -0.097 1.627 -3.375) 3.748 3.042 ( 0.097 1.627 3.375) 3.748 3.138 ( -4.660 4.400 -5.540) 8.471 3.138 ( 4.660 4.400 5.540) 8.471 3.232 ( 0.005 0.629 -2.286) 2.370 3.232 ( -0.005 0.629 2.286) 2.370 3.299 ( -0.289 1.489 -0.702) 1.671 3.299 ( 0.289 1.489 0.702) 1.671 3.406 ( -0.704 2.128 -2.881) 3.650 3.406 ( 0.704 2.128 2.881) 3.650 3.543 ( -0.474 -0.090 -0.370) 0.608 3.543 ( 0.474 -0.090 0.370) 0.608 3.625 ( -1.717 1.222 -0.507) 2.168 3.625 ( 1.717 1.222 0.507) 2.168 3.720 ( -0.848 -1.900 -2.868) 3.543 3.720 ( 0.848 -1.900 2.868) 3.543 3.772 ( -1.094 -0.752 -2.957) 3.241 3.772 ( 1.094 -0.752 2.957) 3.241 3.807 ( -0.754 -0.124 -4.511) 4.575 3.807 ( 0.754 -0.124 4.511) 4.575 3.842 ( -1.962 1.638 -3.270) 4.151 3.842 ( 1.962 1.638 3.270) 4.151 3.914 ( -1.140 -0.996 -4.569) 4.813 3.914 ( 1.140 -0.996 4.569) 4.813 4.009 ( -0.244 1.253 -0.365) 1.328 4.009 ( 0.244 1.253 0.365) 1.328 4.149 ( -1.843 1.788 -0.057) 2.569 4.149 ( 1.843 1.788 0.057) 2.569 4.169 ( -1.715 1.529 -2.708) 3.551 4.169 ( 1.715 1.529 2.708) 3.551 4.226 ( -0.650 1.353 -2.062) 2.551 4.226 ( 0.650 1.353 2.062) 2.551 4.296 ( 0.079 -0.264 -0.716) 0.767 4.296 ( -0.079 -0.264 0.716) 0.767 4.350 ( -0.722 -1.133 -0.587) 1.466 4.350 ( 0.722 -1.133 0.587) 1.466 4.452 ( -0.563 -2.115 -1.521) 2.665 4.452 ( 0.563 -2.115 1.521) 2.665 4.518 ( 0.990 2.436 -0.813) 2.753 4.518 ( -0.990 2.436 0.813) 2.753 4.604 ( 0.458 1.364 -1.206) 1.877 4.604 ( -0.458 1.364 1.206) 1.877 4.745 ( -0.636 -0.928 -1.123) 1.590 4.745 ( 0.636 -0.928 1.123) 1.590 4.946 ( -2.329 -2.117 -1.475) 3.476 4.946 ( 2.329 -2.117 1.475) 3.476 5.113 ( 1.476 -0.836 -0.993) 1.966 5.113 ( -1.476 -0.836 0.993) 1.966 5.167 ( -3.648 -0.148 0.342) 3.667 5.167 ( 3.648 -0.148 -0.342) 3.667 5.303 ( -1.684 1.984 -0.779) 2.716 5.303 ( 1.684 1.984 0.779) 2.716 5.460 ( -1.428 -1.160 -1.128) 2.158 5.460 ( 1.428 -1.160 1.128) 2.158 5.531 ( -1.398 -0.735 -0.845) 1.791 5.531 ( 1.398 -0.735 0.845) 1.791 5.844 ( -0.999 -0.719 -1.365) 1.838 5.844 ( 0.999 -0.719 1.365) 1.838 5.925 ( 1.725 -1.274 -0.751) 2.272 5.925 ( -1.725 -1.274 0.751) 2.272 6.449 ( -0.677 -0.203 -1.298) 1.479 6.449 ( 0.677 -0.203 1.298) 1.479 6.608 ( -1.354 -1.234 -1.737) 2.524 6.608 ( 1.354 -1.234 1.737) 2.524 6.630 ( -3.085 0.138 -0.111) 3.090 6.630 ( 3.085 0.138 0.111) 3.090 6.811 ( 0.412 -1.517 -0.762) 1.747 6.811 ( -0.412 -1.517 0.762) 1.747 7.044 ( -0.257 -0.117 -1.242) 1.274 7.044 ( 0.257 -0.117 1.242) 1.274 7.081 ( 0.177 -0.726 -0.471) 0.883 7.081 ( -0.177 -0.726 0.471) 0.883 14.244 ( -1.034 -0.794 0.229) 1.324 14.244 ( 1.034 -0.794 -0.229) 1.324 14.302 ( 1.080 0.029 -0.462) 1.175 14.302 ( -1.080 0.029 0.462) 1.175 15.032 ( -1.211 0.113 -0.769) 1.439 15.032 ( 1.211 0.113 0.769) 1.439 15.149 ( -1.005 -0.061 -0.531) 1.138 15.149 ( 1.005 -0.061 0.531) 1.138 15.338 ( -2.946 1.762 -0.313) 3.447 15.338 ( 2.946 1.762 0.313) 3.447 15.407 ( -3.573 1.563 0.683) 3.959 15.407 ( 3.573 1.563 -0.683) 3.959 15.940 ( -0.754 -1.301 -1.359) 2.027 15.940 ( 0.754 -1.301 1.359) 2.027 16.016 ( -0.266 -2.564 -0.295) 2.595 16.016 ( 0.266 -2.564 0.295) 2.595 16.155 ( -1.948 -0.692 -1.915) 2.818 16.155 ( 1.948 -0.692 1.915) 2.818 16.274 ( -0.207 -2.143 -0.088) 2.154 16.274 ( 0.207 -2.143 0.088) 2.154 17.393 ( 0.130 1.115 -0.593) 1.269 17.393 ( -0.130 1.115 0.593) 1.269 17.617 ( -0.641 -3.190 -1.068) 3.424 17.617 ( 0.641 -3.190 1.068) 3.424 17.907 ( 1.041 2.289 -0.970) 2.696 17.907 ( -1.041 2.289 0.970) 2.696 17.995 ( -2.078 0.791 -2.064) 3.034 17.995 ( 2.078 0.791 2.064) 3.034 18.132 ( -0.056 0.125 -2.344) 2.348 18.132 ( 0.056 0.125 2.344) 2.348 18.352 ( -0.955 -0.358 -0.563) 1.165 18.352 ( 0.955 -0.358 0.563) 1.165 18.672 ( -1.306 0.672 -5.617) 5.806 18.672 ( 1.306 0.672 5.617) 5.806 18.811 ( 1.061 0.490 -0.762) 1.395 18.811 ( -1.061 0.490 0.762) 1.395 18.944 ( 3.416 2.735 -2.536) 5.058 18.944 ( -3.416 2.735 2.536) 5.058 19.132 ( -2.548 4.512 -0.489) 5.205 19.132 ( 2.548 4.512 0.489) 5.205 ======================= Grid point 107 (49/56) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.951 11.686 -7.973) 14.179 0.905 ( -0.951 11.686 7.973) 14.179 0.982 ( -3.275 10.444 -9.155) 14.269 0.982 ( 3.275 10.444 9.155) 14.269 1.215 ( -1.531 6.605 -1.847) 7.027 1.215 ( 1.531 6.605 1.847) 7.027 1.443 ( -2.057 2.461 -0.134) 3.210 1.443 ( 2.057 2.461 0.134) 3.210 1.591 ( -1.216 6.896 -3.184) 7.692 1.591 ( 1.216 6.896 3.184) 7.692 1.688 ( -1.444 -2.332 -2.572) 3.760 1.688 ( 1.444 -2.332 2.572) 3.760 1.769 ( -0.616 5.609 -5.557) 7.920 1.769 ( 0.616 5.609 5.557) 7.920 1.837 ( 0.609 -3.631 -1.374) 3.930 1.837 ( -0.609 -3.631 1.374) 3.930 2.105 ( 1.660 4.165 -1.821) 4.840 2.105 ( -1.660 4.165 1.821) 4.840 2.165 ( 3.113 -0.915 -3.383) 4.688 2.165 ( -3.113 -0.915 3.383) 4.688 2.356 ( -0.586 1.435 -3.698) 4.010 2.356 ( 0.586 1.435 3.698) 4.010 2.450 ( 3.098 0.110 -3.990) 5.053 2.450 ( -3.098 0.110 3.990) 5.053 2.535 ( 1.330 1.177 -2.181) 2.813 2.535 ( -1.330 1.177 2.181) 2.813 2.654 ( -2.707 -3.958 -2.651) 5.479 2.654 ( 2.707 -3.958 2.651) 5.479 2.938 ( -2.639 0.691 -1.441) 3.085 2.938 ( 2.639 0.691 1.441) 3.085 3.063 ( -1.237 -3.230 -1.912) 3.952 3.063 ( 1.237 -3.230 1.912) 3.952 3.185 ( 0.331 -2.867 -2.721) 3.967 3.185 ( -0.331 -2.867 2.721) 3.967 3.280 ( 2.164 2.774 -3.780) 5.164 3.280 ( -2.164 2.774 3.780) 5.164 3.317 ( -2.912 0.239 -1.945) 3.510 3.317 ( 2.912 0.239 1.945) 3.510 3.348 ( -1.901 -0.864 -2.752) 3.455 3.348 ( 1.901 -0.864 2.752) 3.455 3.454 ( -3.078 0.174 -1.637) 3.491 3.454 ( 3.078 0.174 1.637) 3.491 3.506 ( -1.537 2.271 -2.368) 3.623 3.506 ( 1.537 2.271 2.368) 3.623 3.624 ( -2.998 -0.502 -0.741) 3.129 3.624 ( 2.998 -0.502 0.741) 3.129 3.673 ( 0.387 -1.974 -2.841) 3.481 3.673 ( -0.387 -1.974 2.841) 3.481 3.751 ( 1.259 0.107 -1.709) 2.125 3.751 ( -1.259 0.107 1.709) 2.125 3.796 ( -3.033 -0.455 -0.247) 3.077 3.796 ( 3.033 -0.455 0.247) 3.077 3.879 ( -0.567 -0.345 -2.040) 2.146 3.879 ( 0.567 -0.345 2.040) 2.146 3.942 ( -2.176 -0.913 -0.218) 2.369 3.942 ( 2.176 -0.913 0.218) 2.369 3.996 ( 0.712 -2.354 -2.030) 3.189 3.996 ( -0.712 -2.354 2.030) 3.189 4.060 ( -1.886 -0.642 -0.455) 2.044 4.060 ( 1.886 -0.642 0.455) 2.044 4.152 ( 0.031 1.719 -1.127) 2.056 4.152 ( -0.031 1.719 1.127) 2.056 4.221 ( -1.889 0.529 -0.312) 1.987 4.221 ( 1.889 0.529 0.312) 1.987 4.302 ( 0.511 -0.530 -0.581) 0.937 4.302 ( -0.511 -0.530 0.581) 0.937 4.374 ( -1.937 -0.713 -0.321) 2.089 4.374 ( 1.937 -0.713 0.321) 2.089 4.501 ( -0.970 2.097 -0.821) 2.452 4.501 ( 0.970 2.097 0.821) 2.452 4.581 ( -0.346 -0.991 -1.953) 2.217 4.581 ( 0.346 -0.991 1.953) 2.217 4.621 ( -2.008 -0.847 -1.237) 2.506 4.621 ( 2.008 -0.847 1.237) 2.506 4.710 ( -1.693 0.318 -1.006) 1.995 4.710 ( 1.693 0.318 1.006) 1.995 4.861 ( -2.327 -1.026 -2.669) 3.687 4.861 ( 2.327 -1.026 2.669) 3.687 5.028 ( 1.135 -1.376 -1.187) 2.143 5.028 ( -1.135 -1.376 1.187) 2.143 5.148 ( -0.529 2.505 -0.347) 2.584 5.148 ( 0.529 2.505 0.347) 2.584 5.241 ( -3.275 2.633 -1.876) 4.602 5.241 ( 3.275 2.633 1.876) 4.602 5.473 ( -0.821 2.198 -1.197) 2.635 5.473 ( 0.821 2.198 1.197) 2.635 5.640 ( -0.664 -8.232 -2.457) 8.616 5.640 ( 0.664 -8.232 2.457) 8.616 5.819 ( -1.115 -0.682 -0.072) 1.309 5.819 ( 1.115 -0.682 0.072) 1.309 5.905 ( -2.680 0.830 -1.164) 3.037 5.905 ( 2.680 0.830 1.164) 3.037 6.225 ( -1.308 5.294 -1.594) 5.681 6.225 ( 1.308 5.294 1.594) 5.681 6.457 ( -0.415 -0.779 -1.129) 1.433 6.457 ( 0.415 -0.779 1.129) 1.433 6.670 ( -0.062 -1.306 -0.822) 1.545 6.670 ( 0.062 -1.306 0.822) 1.545 6.806 ( -0.086 -0.605 -2.197) 2.280 6.806 ( 0.086 -0.605 2.197) 2.280 7.094 ( -0.817 0.126 -0.385) 0.911 7.094 ( 0.817 0.126 0.385) 0.911 7.157 ( -0.339 -1.170 -0.188) 1.233 7.157 ( 0.339 -1.170 0.188) 1.233 14.264 ( -0.460 0.679 -0.404) 0.914 14.264 ( 0.460 0.679 0.404) 0.914 14.332 ( -0.362 -0.584 -0.864) 1.104 14.332 ( 0.362 -0.584 0.864) 1.104 15.018 ( -1.384 1.117 -0.502) 1.848 15.018 ( 1.384 1.117 0.502) 1.848 15.088 ( -1.311 -0.313 -0.919) 1.631 15.088 ( 1.311 -0.313 0.919) 1.631 15.326 ( -0.048 2.267 -0.523) 2.327 15.326 ( 0.048 2.267 0.523) 2.327 15.558 ( -0.508 -3.573 -1.145) 3.786 15.558 ( 0.508 -3.573 1.145) 3.786 15.774 ( 0.137 3.894 -0.989) 4.020 15.774 ( -0.137 3.894 0.989) 4.020 15.987 ( -0.309 -1.455 -0.649) 1.623 15.987 ( 0.309 -1.455 0.649) 1.623 16.165 ( -1.593 -3.135 -0.502) 3.552 16.165 ( 1.593 -3.135 0.502) 3.552 16.242 ( -0.373 -4.778 -0.670) 4.839 16.242 ( 0.373 -4.778 0.670) 4.839 17.426 ( 0.616 2.015 -1.406) 2.533 17.426 ( -0.616 2.015 1.406) 2.533 17.568 ( 0.342 -1.838 -1.047) 2.142 17.568 ( -0.342 -1.838 1.047) 2.142 17.882 ( 0.039 1.621 -1.703) 2.352 17.882 ( -0.039 1.621 1.703) 2.352 18.040 ( 0.221 0.682 -0.439) 0.841 18.040 ( -0.221 0.682 0.439) 0.841 18.132 ( 1.107 2.728 -2.029) 3.576 18.132 ( -1.107 2.728 2.029) 3.576 18.415 ( -0.410 -3.398 -1.431) 3.710 18.415 ( 0.410 -3.398 1.431) 3.710 18.677 ( -2.463 2.880 -0.809) 3.875 18.677 ( 2.463 2.880 0.809) 3.875 18.803 ( 0.290 0.653 -1.922) 2.051 18.803 ( -0.290 0.653 1.922) 2.051 18.933 ( -0.427 0.823 -4.399) 4.496 18.933 ( 0.427 0.823 4.399) 4.496 19.401 ( -0.657 2.960 -1.967) 3.614 19.401 ( 0.657 2.960 1.967) 3.614 ======================= Grid point 109 (50/56) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -2.233 13.294 -5.915) 14.721 0.909 ( -0.645 10.089 5.992) 11.752 0.983 ( 5.855 5.398 -7.944) 11.248 1.097 ( 3.045 7.065 10.540) 13.049 1.264 ( 4.805 6.034 0.897) 7.765 1.289 ( 2.113 3.345 0.097) 3.958 1.403 ( -3.339 2.804 -0.051) 4.360 1.455 ( 0.830 5.152 0.667) 5.261 1.540 ( -0.987 0.208 -4.711) 4.818 1.573 ( -1.857 1.633 -1.316) 2.801 1.638 ( -1.411 2.067 -1.210) 2.780 1.686 ( -2.249 5.012 -1.950) 5.829 1.715 ( 1.010 -0.735 0.969) 1.581 1.814 ( 1.328 0.216 0.632) 1.486 1.863 ( 2.715 2.985 -0.737) 4.102 1.964 ( 8.261 -4.647 0.356) 9.485 2.096 ( -0.144 2.252 1.290) 2.599 2.118 ( -2.466 -0.431 2.021) 3.217 2.146 ( 0.889 0.252 -0.866) 1.266 2.217 ( 2.670 2.281 -2.279) 4.186 2.279 ( -2.778 0.419 -1.553) 3.210 2.351 ( -2.634 0.623 -1.179) 2.952 2.397 ( -1.068 0.308 0.171) 1.124 2.438 ( -1.100 -0.212 -2.377) 2.628 2.524 ( -1.559 -1.079 0.882) 2.091 2.586 ( 0.122 1.071 1.947) 2.225 2.655 ( 4.915 2.372 2.355) 5.943 2.713 ( 2.062 -3.997 2.185) 5.000 2.878 ( -3.291 0.347 -1.671) 3.708 2.956 ( -9.265 -2.362 -1.484) 9.676 2.990 ( 1.522 1.579 1.309) 2.553 3.051 ( -5.426 -4.467 1.500) 7.187 3.123 ( -5.216 -1.112 0.507) 5.357 3.169 ( -1.730 -2.424 -2.774) 4.070 3.212 ( -6.369 -0.236 2.550) 6.864 3.237 ( -2.085 2.133 1.505) 3.340 3.280 ( -0.353 2.071 -0.758) 2.233 3.302 ( -0.668 1.658 -0.340) 1.819 3.366 ( -0.206 -1.806 0.490) 1.882 3.371 ( -0.114 2.605 -0.253) 2.620 3.422 ( 0.991 0.849 0.696) 1.479 3.445 ( -2.355 -0.890 1.836) 3.116 3.513 ( 2.563 1.224 -2.921) 4.074 3.549 ( 1.443 1.287 0.907) 2.135 3.619 ( -1.027 -0.989 -0.304) 1.458 3.642 ( 2.771 2.004 -0.127) 3.422 3.652 ( 0.389 -1.164 -0.170) 1.239 3.731 ( 2.055 0.481 2.206) 3.053 3.749 ( -0.225 0.512 2.227) 2.296 3.764 ( 0.629 -0.053 -1.535) 1.660 3.778 ( 0.870 1.514 -1.929) 2.602 3.820 ( -2.239 -0.311 -0.353) 2.288 3.864 ( -0.030 1.416 -1.454) 2.030 3.904 ( 0.859 -1.192 0.999) 1.777 3.949 ( 1.437 -1.530 1.655) 2.673 3.965 ( 0.213 -0.820 0.334) 0.911 3.992 ( -0.108 -2.663 -1.337) 2.982 4.011 ( 3.255 -1.216 1.360) 3.731 4.049 ( 0.288 0.603 -0.239) 0.709 4.098 ( 1.631 -1.283 -0.060) 2.076 4.156 ( -0.179 0.454 -0.565) 0.746 4.159 ( 1.003 0.601 0.061) 1.171 4.221 ( 2.996 0.632 1.535) 3.425 4.263 ( 0.136 -0.435 -0.993) 1.093 4.284 ( -0.724 0.392 -0.555) 0.993 4.314 ( 1.382 -0.359 -0.688) 1.585 4.332 ( -1.594 -1.730 1.402) 2.738 4.397 ( 0.442 -0.241 -0.764) 0.915 4.459 ( -3.790 4.035 -0.324) 5.545 4.505 ( -1.192 2.357 1.323) 2.954 4.549 ( -0.665 -3.649 -2.369) 4.401 4.580 ( -0.693 0.046 0.303) 0.758 4.603 ( 0.544 -0.462 -0.159) 0.731 4.654 ( 0.217 1.142 -0.381) 1.224 4.702 ( 0.789 1.103 -0.875) 1.614 4.763 ( 0.566 -1.389 -0.898) 1.748 4.799 ( 1.450 -0.362 1.182) 1.906 4.893 ( 0.052 -0.063 0.717) 0.722 5.032 ( 0.889 -3.020 -0.395) 3.173 5.053 ( 1.775 0.006 -0.748) 1.926 5.146 ( -0.660 1.897 -0.847) 2.180 5.169 ( 1.318 2.071 1.170) 2.719 5.210 ( 1.897 2.613 0.579) 3.281 5.319 ( 3.786 -0.253 0.753) 3.868 5.442 ( -1.337 2.896 -0.770) 3.281 5.491 ( -0.228 0.968 0.435) 1.085 5.581 ( -3.841 -7.136 -1.863) 8.315 5.629 ( -3.265 -6.008 1.616) 7.026 5.798 ( -0.254 -0.075 1.213) 1.241 5.835 ( -1.369 0.323 -0.984) 1.717 5.875 ( 1.339 -1.419 -1.336) 2.364 5.930 ( -0.313 -1.230 0.348) 1.316 6.250 ( 4.944 4.587 -1.110) 6.835 6.303 ( 5.943 4.290 1.349) 7.453 6.467 ( 2.274 -0.919 -1.114) 2.694 6.491 ( 2.492 -0.854 0.885) 2.779 6.669 ( 0.329 -1.118 -0.552) 1.290 6.680 ( 0.396 -0.853 0.821) 1.248 6.786 ( -0.710 -0.893 -1.900) 2.216 6.810 ( -0.992 -0.566 1.646) 2.004 7.056 ( -2.309 0.328 0.208) 2.341 7.101 ( -0.867 -0.692 -0.286) 1.146 7.130 ( -2.401 -1.254 0.125) 2.712 7.149 ( -1.541 -1.120 0.142) 1.910 14.246 ( -1.211 0.387 -0.344) 1.317 14.265 ( -0.652 0.274 0.787) 1.059 14.313 ( -1.067 -0.382 -1.019) 1.524 14.333 ( -0.727 -0.599 0.615) 1.125 15.006 ( 0.085 1.063 -0.130) 1.074 15.054 ( 1.365 0.349 0.758) 1.600 15.071 ( 0.762 0.264 -1.168) 1.419 15.122 ( 1.954 -0.389 0.648) 2.095 15.325 ( 0.412 2.583 0.045) 2.616 15.342 ( 1.336 2.415 0.031) 2.761 15.522 ( -2.672 -1.057 -0.900) 3.011 15.548 ( -2.187 -2.262 1.013) 3.305 15.793 ( 2.477 1.756 -0.268) 3.048 15.807 ( 2.948 2.088 0.482) 3.645 15.976 ( -0.376 -2.031 0.003) 2.065 16.003 ( 0.634 -1.699 -0.167) 1.821 16.132 ( -1.700 -2.422 -0.075) 2.960 16.188 ( 0.688 -2.926 0.336) 3.025 16.221 ( -1.364 -4.309 -0.772) 4.585 16.242 ( -0.583 -4.342 0.597) 4.421 17.418 ( -0.695 1.727 0.880) 2.059 17.426 ( 0.081 2.015 -0.983) 2.244 17.552 ( -0.970 -1.781 0.748) 2.161 17.580 ( 0.092 -2.699 -0.049) 2.701 17.881 ( 1.028 1.694 -0.276) 2.001 17.915 ( 2.352 1.618 0.807) 2.966 18.026 ( -1.074 2.300 0.504) 2.588 18.055 ( 1.142 -0.401 -0.019) 1.211 18.118 ( -1.591 3.216 1.348) 3.833 18.142 ( 1.284 1.705 -1.902) 2.859 18.378 ( -2.512 -2.910 -1.403) 4.092 18.409 ( -1.753 -3.126 0.528) 3.623 18.644 ( -0.764 2.761 0.468) 2.902 18.725 ( 2.143 1.779 -0.991) 2.957 18.802 ( 0.729 1.042 -1.834) 2.232 18.814 ( 0.207 0.782 2.693) 2.812 18.915 ( 1.239 1.608 -3.942) 4.434 18.978 ( 2.063 0.838 3.507) 4.154 19.336 ( -5.076 4.224 -0.865) 6.660 19.381 ( -3.750 2.835 0.521) 4.730 ======================= Grid point 110 (51/56) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 7.273 7.731 -3.712) 11.244 0.978 ( 5.622 6.345 -0.285) 8.483 1.071 ( 7.510 2.716 -2.353) 8.325 1.191 ( -0.653 3.746 6.004) 7.106 1.243 ( -2.743 2.029 3.957) 5.225 1.258 ( -9.337 2.038 0.112) 9.557 1.354 ( 0.089 4.973 2.353) 5.502 1.459 ( -3.945 -2.272 -4.027) 6.078 1.519 ( 2.659 -0.202 -0.363) 2.692 1.551 ( -0.200 -4.262 -2.864) 5.138 1.642 ( 1.618 5.221 -2.009) 5.824 1.689 ( 2.423 0.281 1.627) 2.932 1.782 ( 5.696 -0.506 0.444) 5.736 1.831 ( 1.011 1.370 -2.566) 3.079 1.881 ( 0.926 1.003 0.875) 1.622 2.023 ( -4.835 0.871 0.073) 4.913 2.078 ( 1.744 -2.196 0.735) 2.899 2.141 ( 2.358 -1.354 2.926) 3.995 2.147 ( 1.315 0.975 -5.968) 6.189 2.194 ( -0.978 1.633 -1.318) 2.316 2.262 ( -3.277 -3.446 -1.559) 5.005 2.307 ( 0.247 -4.730 0.727) 4.792 2.380 ( -0.746 -0.450 2.727) 2.863 2.456 ( -1.369 0.308 -3.319) 3.604 2.520 ( 4.059 4.529 1.691) 6.313 2.607 ( 1.440 -0.379 1.665) 2.233 2.668 ( -5.827 -1.397 0.941) 6.066 2.735 ( -1.874 -1.652 0.709) 2.597 2.802 ( -3.798 1.195 -1.348) 4.203 2.851 ( -3.723 1.548 -0.058) 4.033 2.894 ( -1.540 -0.526 1.221) 2.035 3.027 ( -0.026 3.577 2.590) 4.417 3.111 ( 0.849 2.139 -2.737) 3.576 3.122 ( -1.582 1.169 3.206) 3.761 3.141 ( -2.174 0.182 -1.173) 2.477 3.219 ( -1.373 0.489 1.787) 2.306 3.257 ( -2.645 0.092 0.778) 2.759 3.276 ( -2.057 2.023 -1.091) 3.084 3.353 ( -0.453 2.362 -1.486) 2.827 3.374 ( -1.625 2.341 -0.708) 2.936 3.422 ( 1.353 1.731 4.085) 4.639 3.468 ( 2.666 2.308 -1.121) 3.700 3.534 ( 0.397 1.350 -0.575) 1.520 3.574 ( 1.277 0.455 0.031) 1.356 3.591 ( -0.211 -2.316 -0.697) 2.428 3.641 ( -1.013 -0.950 -0.942) 1.678 3.706 ( 2.048 2.062 -0.449) 2.941 3.735 ( -1.709 -0.327 -0.483) 1.806 3.755 ( -0.725 0.122 0.721) 1.029 3.771 ( -0.646 1.989 -0.099) 2.093 3.796 ( 2.979 1.421 1.780) 3.749 3.798 ( 1.009 1.725 0.287) 2.019 3.860 ( -0.157 2.053 -0.989) 2.284 3.896 ( -2.277 0.572 2.707) 3.583 3.940 ( -1.767 0.212 -0.661) 1.898 3.964 ( -1.603 -0.443 -2.263) 2.809 3.989 ( 1.560 -1.274 0.555) 2.089 4.037 ( -0.758 0.080 -0.029) 0.763 4.103 ( 3.857 -1.265 2.243) 4.637 4.130 ( 2.389 -0.391 -0.142) 2.425 4.167 ( 1.743 -1.127 -0.194) 2.084 4.177 ( 0.769 -1.033 -0.122) 1.293 4.217 ( -1.960 -1.781 -0.417) 2.681 4.275 ( -1.825 0.763 -0.344) 2.008 4.295 ( 0.241 -0.372 -0.722) 0.847 4.309 ( 2.043 -0.173 1.033) 2.296 4.340 ( 0.638 1.885 -1.101) 2.275 4.387 ( -2.920 3.388 0.136) 4.474 4.409 ( 1.116 0.025 -1.293) 1.709 4.479 ( -2.388 2.242 0.623) 3.334 4.533 ( 0.341 -1.275 -1.027) 1.673 4.564 ( -1.373 0.162 0.707) 1.553 4.621 ( 1.116 -0.627 -0.220) 1.299 4.647 ( -0.651 1.267 -0.200) 1.439 4.705 ( 1.018 -1.650 -0.385) 1.977 4.753 ( -0.211 2.115 -0.119) 2.128 4.868 ( 2.717 0.115 -0.365) 2.744 4.921 ( 2.929 -1.562 1.359) 3.587 5.031 ( 0.379 -1.485 -2.087) 2.589 5.085 ( 0.930 -1.881 0.707) 2.215 5.143 ( 1.495 1.893 -0.288) 2.429 5.191 ( -0.065 0.443 1.476) 1.542 5.269 ( 3.529 0.848 0.416) 3.653 5.374 ( 2.281 -1.846 0.504) 2.977 5.417 ( -1.952 3.483 -0.706) 4.054 5.468 ( -1.819 -1.355 -0.313) 2.290 5.501 ( -3.373 -4.689 -0.900) 5.846 5.573 ( -3.311 -1.840 0.603) 3.835 5.808 ( 0.406 -0.425 0.865) 1.046 5.825 ( 0.576 -1.330 -0.580) 1.561 5.878 ( 0.030 -2.167 -1.222) 2.488 5.912 ( -1.581 -2.446 0.336) 2.932 6.362 ( 7.194 2.168 -0.387) 7.524 6.416 ( 5.381 2.267 0.515) 5.862 6.517 ( 3.714 -1.456 -0.841) 4.077 6.541 ( 2.364 -1.088 0.981) 2.781 6.667 ( -0.839 -0.186 -0.276) 0.902 6.684 ( -0.701 0.495 0.079) 0.862 6.770 ( 0.116 -1.683 -0.949) 1.935 6.790 ( -1.601 -0.866 0.820) 1.996 7.028 ( -0.854 -0.126 0.382) 0.944 7.068 ( -2.161 -1.209 -0.344) 2.500 7.084 ( -2.467 -0.871 0.065) 2.617 7.106 ( -3.206 -1.091 0.178) 3.392 14.227 ( -0.486 -0.208 -0.317) 0.616 14.250 ( -1.503 -0.603 0.634) 1.739 14.295 ( -0.104 -0.001 -0.750) 0.758 14.317 ( -1.207 -0.445 0.422) 1.354 15.016 ( 0.892 0.653 0.211) 1.125 15.051 ( -0.560 -0.248 -0.635) 0.882 15.112 ( 2.551 0.494 0.279) 2.613 15.152 ( 0.751 -0.372 0.331) 0.901 15.345 ( 1.789 3.106 0.271) 3.594 15.375 ( 2.303 2.528 -0.123) 3.423 15.464 ( -3.009 1.540 -0.809) 3.476 15.502 ( -3.489 0.436 0.886) 3.627 15.848 ( 3.651 -0.988 -0.239) 3.790 15.871 ( 3.713 -0.567 0.432) 3.781 15.965 ( -1.274 -3.141 0.277) 3.401 15.993 ( -1.657 -2.644 -0.372) 3.142 16.117 ( 0.128 -0.955 0.455) 1.066 16.173 ( -1.877 -2.413 -1.070) 3.239 16.211 ( 0.415 -2.984 0.055) 3.013 16.232 ( -0.856 -3.488 0.605) 3.642 17.414 ( -0.259 1.331 0.941) 1.651 17.422 ( 0.077 1.593 -1.056) 1.912 17.544 ( -0.293 -2.389 0.761) 2.524 17.570 ( -1.003 -3.170 -0.191) 3.330 17.910 ( 2.201 1.889 -0.184) 2.906 17.960 ( 1.570 1.265 0.434) 2.062 18.010 ( -0.666 3.823 1.014) 4.011 18.077 ( 0.069 -0.841 -0.979) 1.292 18.096 ( -0.491 3.446 2.223) 4.130 18.152 ( 0.683 0.368 -2.049) 2.191 18.329 ( -1.612 -2.348 -0.891) 2.985 18.369 ( -2.652 -2.427 0.017) 3.595 18.656 ( 0.921 2.165 2.534) 3.458 18.729 ( -0.202 0.826 -3.285) 3.393 18.808 ( 1.043 0.781 -1.519) 2.001 18.829 ( -0.537 0.747 2.109) 2.301 18.946 ( 4.341 3.575 -2.124) 6.012 19.034 ( 1.727 1.961 2.466) 3.593 19.237 ( -4.900 4.765 -0.180) 6.837 19.296 ( -5.226 3.267 -0.583) 6.190 ======================= Grid point 111 (52/56) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -8.733 3.465 -0.293) 9.400 0.992 ( 8.733 3.465 0.293) 9.400 1.115 ( 1.795 2.268 -7.630) 8.160 1.115 ( -1.795 2.268 7.630) 8.160 1.250 ( -5.926 2.810 -1.225) 6.672 1.250 ( 5.926 2.810 1.225) 6.672 1.351 ( -3.354 1.748 -5.258) 6.477 1.351 ( 3.354 1.748 5.258) 6.477 1.550 ( 1.438 -6.420 -5.577) 8.625 1.550 ( -1.438 -6.420 5.577) 8.625 1.688 ( 0.563 2.197 -1.358) 2.643 1.688 ( -0.563 2.197 1.358) 2.643 1.821 ( 1.300 0.330 -3.807) 4.036 1.821 ( -1.300 0.330 3.807) 4.036 1.967 ( -2.791 1.669 -1.131) 3.443 1.967 ( 2.791 1.669 1.131) 3.443 2.094 ( -1.642 -0.983 -1.658) 2.532 2.094 ( 1.642 -0.983 1.658) 2.532 2.178 ( 0.934 -0.560 -3.315) 3.489 2.178 ( -0.934 -0.560 3.315) 3.489 2.270 ( -0.691 -5.963 -2.304) 6.429 2.270 ( 0.691 -5.963 2.304) 6.429 2.396 ( -0.315 -0.982 -4.768) 4.879 2.396 ( 0.315 -0.982 4.768) 4.879 2.604 ( -1.308 3.045 -1.394) 3.595 2.604 ( 1.308 3.045 1.394) 3.595 2.667 ( -0.424 -1.744 -1.011) 2.060 2.667 ( 0.424 -1.744 1.011) 2.060 2.764 ( -1.473 1.229 -1.814) 2.640 2.764 ( 1.473 1.229 1.814) 2.640 3.001 ( -3.680 5.818 -3.823) 7.874 3.001 ( 3.680 5.818 3.823) 7.874 3.083 ( 1.264 2.041 -2.763) 3.661 3.083 ( -1.264 2.041 2.763) 3.661 3.198 ( -4.393 -0.290 -0.536) 4.435 3.198 ( 4.393 -0.290 0.536) 4.435 3.231 ( -1.411 1.897 -2.214) 3.239 3.231 ( 1.411 1.897 2.214) 3.239 3.345 ( -0.440 1.816 -0.350) 1.901 3.345 ( 0.440 1.816 0.350) 1.901 3.481 ( -1.223 4.696 -3.931) 6.246 3.481 ( 1.223 4.696 3.931) 6.246 3.552 ( -1.798 1.539 -1.882) 3.024 3.552 ( 1.798 1.539 1.882) 3.024 3.612 ( -1.668 -2.825 -1.044) 3.443 3.612 ( 1.668 -2.825 1.044) 3.443 3.714 ( -0.042 2.456 -1.854) 3.077 3.714 ( 0.042 2.456 1.854) 3.077 3.756 ( 0.225 -0.554 -1.243) 1.380 3.756 ( -0.225 -0.554 1.243) 1.380 3.822 ( -0.848 1.515 -1.052) 2.030 3.822 ( 0.848 1.515 1.052) 2.030 3.883 ( -2.660 1.375 -2.309) 3.781 3.883 ( 2.660 1.375 2.309) 3.781 3.914 ( -1.371 0.334 -3.782) 4.037 3.914 ( 1.371 0.334 3.782) 4.037 4.018 ( -0.283 -0.275 -1.927) 1.967 4.018 ( 0.283 -0.275 1.927) 1.967 4.165 ( -0.323 -1.778 -2.718) 3.264 4.165 ( 0.323 -1.778 2.718) 3.264 4.173 ( -0.173 0.027 -0.592) 0.617 4.173 ( 0.173 0.027 0.592) 0.617 4.225 ( -2.511 -2.721 -0.336) 3.718 4.225 ( 2.511 -2.721 0.336) 3.718 4.303 ( -1.089 3.568 -1.822) 4.152 4.303 ( 1.089 3.568 1.822) 4.152 4.358 ( -1.515 1.247 -0.279) 1.982 4.358 ( 1.515 1.247 0.279) 1.982 4.435 ( -1.926 0.866 0.088) 2.114 4.435 ( 1.926 0.866 -0.088) 2.114 4.547 ( 0.901 0.068 -1.265) 1.554 4.547 ( -0.901 0.068 1.265) 1.554 4.633 ( 0.145 0.427 -0.274) 0.528 4.633 ( -0.145 0.427 0.274) 0.528 4.735 ( -1.463 0.020 -0.858) 1.696 4.735 ( 1.463 0.020 0.858) 1.696 4.920 ( -2.538 -0.440 -0.605) 2.646 4.920 ( 2.538 -0.440 0.605) 2.646 5.067 ( -1.860 -2.597 -0.485) 3.231 5.067 ( 1.860 -2.597 0.485) 3.231 5.178 ( 0.357 0.535 -0.667) 0.926 5.178 ( -0.357 0.535 0.667) 0.926 5.344 ( -4.181 1.853 -0.912) 4.663 5.344 ( 4.181 1.853 0.912) 4.663 5.417 ( -2.421 -2.549 -1.002) 3.655 5.417 ( 2.421 -2.549 1.002) 3.655 5.515 ( -2.180 -0.944 -1.039) 2.593 5.515 ( 2.180 -0.944 1.039) 2.593 5.823 ( -0.076 -1.340 -1.446) 1.973 5.823 ( 0.076 -1.340 1.446) 1.973 5.886 ( -1.238 -2.555 0.268) 2.852 5.886 ( 1.238 -2.555 -0.268) 2.852 6.453 ( -1.087 0.747 -0.871) 1.580 6.453 ( 1.087 0.747 0.871) 1.580 6.569 ( 0.267 -2.213 -0.673) 2.328 6.569 ( -0.267 -2.213 0.673) 2.328 6.653 ( -1.263 1.864 -0.166) 2.258 6.653 ( 1.263 1.864 0.166) 2.258 6.777 ( 0.197 -1.747 -0.181) 1.767 6.777 ( -0.197 -1.747 0.181) 1.767 7.035 ( -0.878 -0.718 -0.755) 1.363 7.035 ( 0.878 -0.718 0.755) 1.363 7.064 ( -0.317 -0.819 -0.108) 0.885 7.064 ( 0.317 -0.819 0.108) 0.885 14.229 ( -0.568 -0.668 0.110) 0.884 14.229 ( 0.568 -0.668 -0.110) 0.884 14.300 ( 0.829 -0.178 -0.343) 0.914 14.300 ( -0.829 -0.178 0.343) 0.914 15.034 ( -0.916 0.118 -0.509) 1.054 15.034 ( 0.916 0.118 0.509) 1.054 15.148 ( -0.570 -0.047 -0.620) 0.843 15.148 ( 0.570 -0.047 0.620) 0.843 15.386 ( -1.904 2.818 -0.462) 3.432 15.386 ( 1.904 2.818 0.462) 3.432 15.446 ( -1.032 2.103 0.106) 2.345 15.446 ( 1.032 2.103 -0.106) 2.345 15.905 ( -0.371 -1.991 -1.016) 2.266 15.905 ( 0.371 -1.991 1.016) 2.266 15.954 ( -1.854 -3.164 -0.117) 3.669 15.954 ( 1.854 -3.164 0.117) 3.669 16.136 ( -1.106 -1.064 -1.237) 1.971 16.136 ( 1.106 -1.064 1.237) 1.971 16.220 ( 0.280 -2.864 -0.381) 2.903 16.220 ( -0.280 -2.864 0.381) 2.903 17.418 ( 0.065 1.217 -0.984) 1.566 17.418 ( -0.065 1.217 0.984) 1.566 17.551 ( -0.179 -2.959 -1.154) 3.182 17.551 ( 0.179 -2.959 1.154) 3.182 17.949 ( -1.755 1.982 -0.185) 2.654 17.949 ( 1.755 1.982 0.185) 2.654 18.038 ( -1.924 2.907 -1.497) 3.794 18.038 ( 1.924 2.907 1.497) 3.794 18.131 ( -1.001 -0.034 -2.938) 3.104 18.131 ( 1.001 -0.034 2.938) 3.104 18.328 ( -0.096 -2.128 -1.455) 2.579 18.328 ( 0.096 -2.128 1.455) 2.579 18.694 ( -0.974 1.460 -4.064) 4.427 18.694 ( 0.974 1.460 4.064) 4.427 18.821 ( 1.118 0.481 -1.427) 1.876 18.821 ( -1.118 0.481 1.427) 1.876 19.023 ( -0.952 4.273 -0.230) 4.384 19.023 ( 0.952 4.273 0.230) 4.384 19.216 ( -2.112 3.325 -1.085) 4.085 19.216 ( 2.112 3.325 1.085) 4.085 ======================= Grid point 115 (53/56) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.428 4.410 -5.083) 6.880 1.069 ( -1.428 4.410 5.083) 6.880 1.196 ( -1.308 9.054 -4.258) 10.090 1.196 ( 1.308 9.054 4.258) 10.090 1.334 ( -1.685 4.274 0.169) 4.597 1.334 ( 1.685 4.274 -0.169) 4.597 1.459 ( -0.683 -2.535 -1.087) 2.842 1.459 ( 0.683 -2.535 1.087) 2.842 1.587 ( -2.554 -0.789 -2.655) 3.768 1.587 ( 2.554 -0.789 2.655) 3.768 1.676 ( -8.621 -3.571 -2.215) 9.591 1.676 ( 8.621 -3.571 2.215) 9.591 1.766 ( 3.463 0.770 -3.041) 4.673 1.766 ( -3.463 0.770 3.041) 4.673 1.912 ( -0.342 4.240 -0.073) 4.254 1.912 ( 0.342 4.240 0.073) 4.254 2.084 ( 1.504 -3.334 -1.871) 4.108 2.084 ( -1.504 -3.334 1.871) 4.108 2.237 ( -2.996 6.911 -1.087) 7.610 2.237 ( 2.996 6.911 1.087) 7.610 2.356 ( 5.010 -1.547 -3.605) 6.363 2.356 ( -5.010 -1.547 3.605) 6.363 2.491 ( -1.839 -0.011 -4.371) 4.742 2.491 ( 1.839 -0.011 4.371) 4.742 2.523 ( 0.634 -0.127 -4.819) 4.862 2.523 ( -0.634 -0.127 4.819) 4.862 2.622 ( -1.600 0.426 -0.788) 1.833 2.622 ( 1.600 0.426 0.788) 1.833 2.906 ( 2.593 -3.337 -3.937) 5.776 2.906 ( -2.593 -3.337 3.937) 5.776 3.014 ( -0.490 -1.014 -0.857) 1.415 3.014 ( 0.490 -1.014 0.857) 1.415 3.144 ( 0.027 -0.215 -2.082) 2.093 3.144 ( -0.027 -0.215 2.082) 2.093 3.282 ( -2.039 -1.487 0.164) 2.529 3.282 ( 2.039 -1.487 -0.164) 2.529 3.313 ( -0.900 -0.352 -0.101) 0.972 3.313 ( 0.900 -0.352 0.101) 0.972 3.373 ( -1.133 1.819 -1.997) 2.929 3.373 ( 1.133 1.819 1.997) 2.929 3.466 ( 2.213 0.784 -1.399) 2.733 3.466 ( -2.213 0.784 1.399) 2.733 3.537 ( 0.141 0.818 -3.205) 3.310 3.537 ( -0.141 0.818 3.205) 3.310 3.595 ( -0.122 -1.682 -0.316) 1.716 3.595 ( 0.122 -1.682 0.316) 1.716 3.656 ( -1.572 0.079 -2.380) 2.854 3.656 ( 1.572 0.079 2.380) 2.854 3.780 ( -2.214 2.159 -0.592) 3.148 3.780 ( 2.214 2.159 0.592) 3.148 3.834 ( -1.464 1.566 -0.464) 2.193 3.834 ( 1.464 1.566 0.464) 2.193 3.865 ( 0.046 -0.484 -1.264) 1.355 3.865 ( -0.046 -0.484 1.264) 1.355 3.925 ( -0.636 -0.187 -0.806) 1.043 3.925 ( 0.636 -0.187 0.806) 1.043 3.970 ( -0.718 -0.871 0.108) 1.134 3.970 ( 0.718 -0.871 -0.108) 1.134 4.060 ( 0.754 1.948 -1.335) 2.479 4.060 ( -0.754 1.948 1.335) 2.479 4.138 ( 0.858 -3.966 -1.482) 4.320 4.138 ( -0.858 -3.966 1.482) 4.320 4.232 ( 1.238 0.859 -1.253) 1.960 4.232 ( -1.238 0.859 1.253) 1.960 4.297 ( -0.388 0.415 -0.502) 0.759 4.297 ( 0.388 0.415 0.502) 0.759 4.375 ( -3.088 1.125 0.205) 3.293 4.375 ( 3.088 1.125 -0.205) 3.293 4.438 ( 0.270 -5.086 -1.676) 5.362 4.438 ( -0.270 -5.086 1.676) 5.362 4.592 ( -1.135 0.390 -0.202) 1.217 4.592 ( 1.135 0.390 0.202) 1.217 4.635 ( -2.193 2.077 -0.837) 3.134 4.635 ( 2.193 2.077 0.837) 3.134 4.723 ( -0.782 0.071 -0.778) 1.106 4.723 ( 0.782 0.071 0.778) 1.106 4.843 ( -0.911 -0.693 -1.227) 1.678 4.843 ( 0.911 -0.693 1.227) 1.678 4.992 ( -0.721 -1.366 -0.419) 1.601 4.992 ( 0.721 -1.366 0.419) 1.601 5.251 ( 0.470 6.363 -1.126) 6.479 5.251 ( -0.470 6.363 1.126) 6.479 5.286 ( -1.499 1.998 -0.984) 2.684 5.286 ( 1.499 1.998 0.984) 2.684 5.447 ( 0.256 -7.601 -1.681) 7.789 5.447 ( -0.256 -7.601 1.681) 7.789 5.519 ( -0.356 -0.390 -0.406) 0.666 5.519 ( 0.356 -0.390 0.406) 0.666 5.809 ( -0.145 -0.257 -0.120) 0.318 5.809 ( 0.145 -0.257 0.120) 0.318 5.918 ( -0.789 0.352 -0.431) 0.965 5.918 ( 0.789 0.352 0.431) 0.965 6.329 ( -0.747 4.538 -1.601) 4.870 6.329 ( 0.747 4.538 1.601) 4.870 6.426 ( -0.438 -2.312 -1.070) 2.585 6.426 ( 0.438 -2.312 1.070) 2.585 6.650 ( -0.064 -0.598 -0.361) 0.701 6.650 ( 0.064 -0.598 0.361) 0.701 6.793 ( -0.137 -0.468 -1.045) 1.153 6.793 ( 0.137 -0.468 1.045) 1.153 7.095 ( -0.144 0.029 -0.322) 0.354 7.095 ( 0.144 0.029 0.322) 0.354 7.138 ( -0.415 -0.567 0.017) 0.703 7.138 ( 0.415 -0.567 -0.017) 0.703 14.278 ( -0.300 0.552 -0.246) 0.675 14.278 ( 0.300 0.552 0.246) 0.675 14.321 ( -0.216 -0.423 -0.474) 0.671 14.321 ( 0.216 -0.423 0.474) 0.671 15.041 ( -1.015 0.977 -0.461) 1.482 15.041 ( 1.015 0.977 0.461) 1.482 15.075 ( -1.024 -0.766 -0.611) 1.417 15.075 ( 1.024 -0.766 0.611) 1.417 15.385 ( -0.289 3.153 -0.097) 3.168 15.385 ( 0.289 3.153 0.097) 3.168 15.482 ( 0.111 -3.581 -0.581) 3.629 15.482 ( -0.111 -3.581 0.581) 3.629 15.858 ( -0.561 3.974 -0.682) 4.071 15.858 ( 0.561 3.974 0.682) 4.071 15.950 ( -0.652 -2.306 -0.371) 2.425 15.950 ( 0.652 -2.306 0.371) 2.425 16.123 ( -0.962 -0.668 -0.665) 1.347 16.123 ( 0.962 -0.668 0.665) 1.347 16.155 ( -0.270 -3.231 -0.994) 3.391 16.155 ( 0.270 -3.231 0.994) 3.391 17.456 ( 0.474 0.919 -0.822) 1.321 17.456 ( -0.474 0.919 0.822) 1.321 17.535 ( 0.403 -1.172 -0.667) 1.408 17.535 ( -0.403 -1.172 0.667) 1.408 17.922 ( -0.109 1.885 -0.814) 2.056 17.922 ( 0.109 1.885 0.814) 2.056 18.021 ( -0.318 -1.456 -0.258) 1.512 18.021 ( 0.318 -1.456 0.258) 1.512 18.216 ( 0.620 4.511 -2.061) 4.998 18.216 ( -0.620 4.511 2.061) 4.998 18.335 ( 0.024 -4.176 -1.628) 4.483 18.335 ( -0.024 -4.176 1.628) 4.483 18.730 ( -1.464 1.852 -0.818) 2.499 18.730 ( 1.464 1.852 0.818) 2.499 18.804 ( -0.373 -0.375 -1.059) 1.184 18.804 ( 0.373 -0.375 1.059) 1.184 18.957 ( -0.173 0.908 -1.684) 1.921 18.957 ( 0.173 0.908 1.684) 1.921 19.439 ( -0.202 0.904 -0.681) 1.150 19.439 ( 0.202 0.904 0.681) 1.150 ======================= Grid point 117 (54/56) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.171 6.651 -4.836) 8.225 1.074 ( -0.973 4.674 4.764) 6.745 1.106 ( -3.316 10.687 -3.381) 11.689 1.239 ( 1.078 3.908 4.540) 6.086 1.308 ( -3.464 0.630 1.187) 3.716 1.341 ( 0.056 1.227 1.436) 1.890 1.421 ( -4.256 -7.660 -3.252) 9.347 1.455 ( -1.171 -0.383 0.634) 1.385 1.531 ( -3.100 -0.195 1.425) 3.417 1.549 ( -2.584 -0.888 -3.195) 4.204 1.652 ( 2.412 2.036 0.195) 3.162 1.714 ( -1.413 0.790 1.882) 2.482 1.803 ( 1.580 2.899 -2.513) 4.149 1.842 ( 6.879 -1.593 -0.789) 7.105 1.876 ( -1.252 2.958 -0.054) 3.212 1.946 ( 0.078 -2.177 1.933) 2.912 2.071 ( 1.259 0.712 -1.219) 1.891 2.121 ( 3.212 -2.796 -2.664) 5.023 2.178 ( -2.551 3.948 1.042) 4.815 2.219 ( -4.363 -0.422 -0.154) 4.386 2.273 ( -3.696 2.682 -0.529) 4.597 2.362 ( -2.210 -4.474 -3.779) 6.260 2.453 ( -4.968 5.884 -0.943) 7.758 2.483 ( 3.037 4.248 -0.770) 5.279 2.527 ( -0.411 -0.117 -0.588) 0.727 2.580 ( 1.632 -3.717 -0.061) 4.060 2.645 ( 3.679 -0.533 3.394) 5.034 2.666 ( -0.395 -1.885 5.431) 5.762 2.855 ( -2.973 -1.067 0.061) 3.159 2.907 ( -2.618 -5.731 -3.203) 7.068 2.952 ( -3.657 2.672 1.391) 4.738 3.007 ( 0.317 -1.939 1.962) 2.777 3.124 ( -0.915 -0.004 0.115) 0.922 3.139 ( -1.601 -1.127 0.709) 2.083 3.219 ( -3.586 2.478 -0.784) 4.429 3.272 ( -2.075 -1.174 -0.033) 2.384 3.316 ( 0.442 1.052 0.149) 1.151 3.333 ( -0.156 2.338 -0.982) 2.541 3.355 ( 1.086 0.651 -0.353) 1.314 3.400 ( -0.999 -2.379 1.627) 3.050 3.420 ( -0.563 2.336 2.166) 3.235 3.482 ( 0.370 0.237 -0.474) 0.646 3.515 ( 1.003 1.442 -2.043) 2.694 3.568 ( 1.812 -0.594 0.700) 2.032 3.602 ( 0.293 0.229 0.608) 0.713 3.619 ( 0.701 -1.418 0.081) 1.584 3.693 ( 4.613 2.519 -0.191) 5.259 3.738 ( 3.492 -0.411 0.926) 3.636 3.749 ( -0.158 1.617 -0.577) 1.724 3.790 ( -0.044 0.113 -0.158) 0.199 3.835 ( 0.292 2.087 -0.313) 2.130 3.851 ( -0.093 0.968 0.900) 1.325 3.880 ( 0.879 1.141 -0.128) 1.446 3.884 ( 1.285 1.163 -0.274) 1.755 3.914 ( 0.646 -3.044 -0.082) 3.113 3.939 ( -0.937 -0.034 0.050) 0.939 3.955 ( 0.315 -0.481 0.561) 0.804 3.977 ( 1.046 -2.657 0.778) 2.959 4.075 ( 1.533 1.323 1.036) 2.274 4.077 ( 1.773 1.781 -1.639) 3.000 4.132 ( -0.223 -2.958 0.647) 3.036 4.140 ( 0.447 -2.856 -0.752) 2.987 4.248 ( 1.934 1.639 1.045) 2.742 4.267 ( 0.056 0.244 -1.360) 1.383 4.280 ( -1.859 -0.960 0.862) 2.263 4.285 ( 1.727 -0.937 -1.072) 2.239 4.346 ( 0.468 2.916 1.018) 3.124 4.394 ( 0.008 -0.405 -0.297) 0.503 4.457 ( 2.476 -3.153 -1.621) 4.325 4.476 ( 2.589 -3.524 0.419) 4.392 4.542 ( -3.576 2.330 -0.872) 4.356 4.580 ( -1.523 -1.513 -0.608) 2.231 4.613 ( -0.869 3.555 0.321) 3.674 4.665 ( -0.115 -0.835 -0.351) 0.914 4.728 ( 1.192 2.159 -1.257) 2.768 4.760 ( 2.370 -0.442 0.451) 2.453 4.813 ( 0.250 1.235 0.630) 1.409 4.857 ( 0.130 -3.095 0.137) 3.101 5.001 ( 1.544 0.238 0.139) 1.568 5.028 ( 2.301 -1.982 0.169) 3.041 5.221 ( -2.376 3.836 0.410) 4.531 5.234 ( -2.139 3.924 0.013) 4.469 5.270 ( 0.814 3.835 -0.436) 3.944 5.329 ( 1.962 1.434 0.428) 2.468 5.423 ( -1.382 -7.340 -2.338) 7.827 5.436 ( -1.226 -5.389 1.010) 5.618 5.507 ( -0.942 1.208 0.175) 1.542 5.532 ( 0.238 -1.966 0.877) 2.166 5.801 ( -0.453 0.509 0.952) 1.170 5.819 ( 0.064 -1.216 0.352) 1.268 5.881 ( -2.274 1.203 -1.361) 2.910 5.907 ( -1.817 -1.226 -0.554) 2.261 6.343 ( 3.174 4.349 -0.962) 5.469 6.382 ( 3.668 2.441 1.283) 4.589 6.440 ( 2.605 -1.263 -0.969) 3.053 6.464 ( 2.838 -1.913 0.758) 3.505 6.656 ( 0.875 -0.133 -0.134) 0.895 6.663 ( 1.190 -0.747 0.428) 1.469 6.777 ( -1.016 0.215 -1.063) 1.486 6.793 ( -0.887 -1.068 0.724) 1.566 7.065 ( -2.366 0.584 0.115) 2.439 7.082 ( -1.952 -1.028 -0.098) 2.208 7.117 ( -1.908 0.016 0.042) 1.908 7.128 ( -1.659 -0.902 0.005) 1.889 14.257 ( -1.718 0.678 -0.170) 1.854 14.268 ( -1.559 -0.219 0.325) 1.608 14.310 ( -0.636 0.205 -0.448) 0.805 14.320 ( -0.602 -0.667 0.317) 0.953 15.028 ( -0.178 1.108 -0.214) 1.142 15.048 ( -0.309 -0.821 -0.099) 0.883 15.086 ( 2.177 1.064 -0.025) 2.424 15.108 ( 2.042 -1.005 0.429) 2.316 15.389 ( 0.800 3.476 0.275) 3.578 15.400 ( 1.332 2.920 0.136) 3.212 15.481 ( 0.065 -2.678 -0.524) 2.729 15.487 ( 0.278 -3.288 0.162) 3.304 15.847 ( -0.299 3.357 -0.320) 3.386 15.871 ( 0.309 3.388 0.934) 3.528 15.927 ( -1.412 -2.571 -0.173) 2.938 15.956 ( -0.455 -3.019 0.053) 3.054 16.108 ( -0.155 0.303 -0.539) 0.637 16.143 ( -0.221 -3.002 -1.104) 3.206 16.146 ( 0.998 -0.948 0.519) 1.471 16.164 ( 0.252 -2.817 0.828) 2.947 17.447 ( -0.848 1.135 0.708) 1.584 17.455 ( -0.181 0.629 -0.719) 0.972 17.522 ( -1.097 -0.769 0.627) 1.479 17.533 ( -0.450 -1.721 -0.311) 1.806 17.927 ( 1.177 2.514 -0.026) 2.776 17.950 ( 2.119 1.021 0.306) 2.372 18.024 ( 0.690 -1.015 0.047) 1.229 18.036 ( 0.937 -1.362 0.429) 1.708 18.196 ( -1.576 4.184 0.118) 4.472 18.214 ( -0.703 3.973 -0.527) 4.069 18.309 ( -1.733 -3.373 -1.091) 3.946 18.331 ( -1.242 -4.212 0.760) 4.457 18.701 ( -0.620 2.653 -0.954) 2.886 18.739 ( 0.120 -0.738 -1.560) 1.729 18.816 ( 1.183 0.863 0.457) 1.534 18.828 ( 0.768 0.050 1.610) 1.784 18.961 ( 1.944 2.231 -1.169) 3.182 18.987 ( 2.400 -0.299 1.493) 2.842 19.397 ( -3.932 1.856 -0.480) 4.374 19.412 ( -3.472 0.345 0.133) 3.492 ======================= Grid point 118 (55/56) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.493 8.793 -2.441) 9.139 1.096 ( 1.164 3.288 0.788) 3.576 1.135 ( 4.601 3.443 0.041) 5.747 1.190 ( -4.747 -3.342 -2.291) 6.241 1.294 ( -2.475 4.754 2.845) 6.068 1.323 ( -1.682 0.201 1.210) 2.081 1.346 ( -3.305 -5.009 0.176) 6.004 1.413 ( -4.427 -4.187 -0.607) 6.123 1.481 ( -0.888 2.371 1.974) 3.210 1.533 ( 0.930 1.814 -1.424) 2.487 1.664 ( -0.448 -0.795 0.930) 1.303 1.731 ( -0.765 -2.652 -0.114) 2.763 1.792 ( 0.169 4.810 -0.855) 4.889 1.853 ( -0.588 -0.248 -2.464) 2.546 1.899 ( 3.741 1.949 0.230) 4.225 1.994 ( 2.909 -5.588 3.011) 6.982 2.077 ( -0.734 3.557 -1.644) 3.987 2.117 ( -1.108 -1.831 -2.412) 3.225 2.163 ( -1.608 -0.554 -0.090) 1.703 2.181 ( -1.277 -1.413 -0.051) 1.905 2.242 ( 0.163 2.723 -0.771) 2.835 2.302 ( -4.061 3.476 -2.140) 5.758 2.343 ( -2.897 -1.939 1.821) 3.933 2.430 ( -6.340 -4.146 -3.053) 8.167 2.550 ( 1.609 -0.337 0.194) 1.656 2.584 ( 0.342 -2.595 -0.647) 2.696 2.669 ( -0.531 2.923 3.571) 4.646 2.713 ( 0.640 -1.485 -0.738) 1.778 2.810 ( -3.552 0.336 0.898) 3.679 2.825 ( -0.886 -0.639 0.561) 1.228 2.989 ( 5.097 5.548 3.457) 8.289 3.064 ( 3.341 -1.287 1.168) 3.766 3.118 ( -0.264 -0.906 -0.257) 0.978 3.124 ( 0.051 -0.847 1.400) 1.637 3.156 ( -2.169 3.200 -2.415) 4.558 3.218 ( -3.648 -2.332 -0.891) 4.420 3.312 ( -1.224 3.706 -0.258) 3.911 3.323 ( -0.113 3.594 -0.008) 3.596 3.362 ( -0.804 -0.911 -0.311) 1.254 3.391 ( -0.284 -0.762 -1.139) 1.399 3.451 ( 2.151 0.850 2.826) 3.652 3.495 ( 0.924 -3.422 1.161) 3.730 3.550 ( 3.014 3.913 0.231) 4.945 3.595 ( 0.465 -0.275 0.371) 0.656 3.604 ( -0.276 2.564 0.474) 2.622 3.628 ( 0.488 -0.107 -0.573) 0.760 3.734 ( 1.199 1.389 -0.501) 1.902 3.751 ( 0.944 2.162 -0.469) 2.405 3.778 ( 0.299 1.405 -0.106) 1.440 3.815 ( 2.098 -0.451 0.659) 2.245 3.819 ( -2.064 1.318 0.246) 2.461 3.851 ( 1.079 3.199 -0.561) 3.422 3.876 ( -1.277 -1.567 -0.032) 2.022 3.886 ( -0.907 -0.199 0.447) 1.031 3.915 ( -0.694 -1.462 -0.155) 1.626 3.929 ( -0.655 -2.649 -1.050) 2.924 3.972 ( 1.670 0.094 -0.003) 1.672 4.009 ( 0.856 -2.686 0.922) 2.966 4.099 ( 1.363 1.891 0.756) 2.450 4.118 ( 2.727 -0.029 -1.017) 2.911 4.140 ( 1.434 -1.061 -0.495) 1.851 4.153 ( 0.468 -2.229 1.080) 2.521 4.203 ( -3.196 0.779 0.426) 3.317 4.234 ( -3.205 -2.120 -0.197) 3.847 4.325 ( 4.884 2.223 -0.935) 5.447 4.354 ( 2.644 0.090 0.220) 2.655 4.371 ( 2.294 2.856 0.030) 3.663 4.407 ( 1.653 -0.079 -0.356) 1.693 4.470 ( -3.742 2.411 -0.225) 4.457 4.486 ( 1.836 -1.453 -2.172) 3.194 4.511 ( 0.152 0.143 0.777) 0.805 4.560 ( -1.168 -2.087 -0.651) 2.479 4.590 ( -0.104 1.394 1.766) 2.252 4.644 ( -1.378 -1.880 -0.109) 2.334 4.711 ( -1.247 2.369 -1.785) 3.218 4.767 ( -1.552 -1.810 -1.708) 2.933 4.879 ( 4.039 0.510 1.419) 4.311 4.890 ( 3.246 -1.037 2.397) 4.166 5.023 ( 0.678 0.885 -0.739) 1.337 5.052 ( 0.149 -1.621 -0.488) 1.700 5.186 ( -1.276 2.037 0.091) 2.405 5.203 ( -1.775 0.399 1.103) 2.128 5.297 ( 2.860 2.395 -1.425) 3.993 5.358 ( 0.888 -0.897 0.510) 1.361 5.392 ( -0.453 -2.792 -1.370) 3.143 5.432 ( 0.376 -3.298 0.602) 3.373 5.480 ( -1.862 2.569 -0.134) 3.176 5.528 ( -1.590 -2.328 0.804) 2.931 5.801 ( -0.301 0.091 1.143) 1.186 5.811 ( -0.732 -0.384 -0.394) 0.916 5.843 ( -1.186 -0.653 -0.700) 1.524 5.864 ( -2.187 -2.141 -0.636) 3.126 6.415 ( 4.805 2.789 -0.477) 5.576 6.453 ( 3.452 0.210 0.671) 3.523 6.491 ( 2.974 -0.240 -0.719) 3.069 6.515 ( 2.058 -1.521 0.530) 2.613 6.676 ( 1.229 0.927 0.042) 1.540 6.692 ( 1.451 -0.232 0.531) 1.563 6.748 ( -1.266 0.134 -1.110) 1.689 6.769 ( -2.028 -1.300 0.511) 2.462 7.028 ( -1.548 0.251 0.251) 1.588 7.042 ( -2.017 -1.117 -0.033) 2.306 7.076 ( -2.419 0.033 -0.077) 2.420 7.085 ( -2.778 -0.818 -0.046) 2.896 14.228 ( -1.212 0.310 -0.140) 1.258 14.238 ( -1.677 -0.597 0.174) 1.788 14.298 ( -0.360 0.326 -0.230) 0.538 14.307 ( -0.837 -0.529 0.190) 1.008 15.029 ( 0.337 0.692 -0.018) 0.770 15.042 ( -0.219 -0.566 -0.271) 0.665 15.125 ( 1.886 0.758 0.182) 2.041 15.140 ( 1.174 -0.712 0.265) 1.398 15.413 ( 1.516 3.289 0.453) 3.649 15.429 ( 1.659 2.357 0.102) 2.884 15.475 ( -0.252 -0.554 -0.840) 1.037 15.489 ( -0.351 -1.626 0.287) 1.688 15.848 ( 0.708 1.275 -0.197) 1.472 15.881 ( 0.236 1.022 0.971) 1.430 15.901 ( -1.278 -2.394 -0.271) 2.728 15.937 ( -1.633 -2.896 0.078) 3.325 16.110 ( 0.500 0.342 -0.291) 0.672 16.131 ( -0.400 -1.648 -0.890) 1.915 16.165 ( 0.747 -1.211 0.263) 1.447 16.172 ( 0.187 -1.982 0.554) 2.066 17.438 ( -0.542 0.978 0.709) 1.324 17.445 ( -0.364 0.537 -0.711) 0.963 17.508 ( -0.750 -0.886 0.641) 1.326 17.519 ( -0.811 -1.770 -0.381) 1.984 17.958 ( 2.124 2.688 0.186) 3.431 17.989 ( 1.786 0.691 0.000) 1.915 18.043 ( 1.208 -0.856 0.406) 1.535 18.052 ( 0.513 -0.490 0.507) 0.872 18.170 ( -1.414 3.172 0.543) 3.515 18.187 ( -1.472 2.902 -1.402) 3.543 18.274 ( -1.099 -2.340 -0.781) 2.701 18.304 ( -2.103 -3.703 0.487) 4.286 18.702 ( 0.713 2.159 0.338) 2.299 18.732 ( 0.125 -0.689 -1.569) 1.718 18.825 ( 0.136 0.895 -0.546) 1.057 18.837 ( -0.597 -0.088 1.000) 1.168 19.019 ( 4.729 3.022 -0.282) 5.619 19.053 ( 3.756 -0.301 1.286) 3.981 19.310 ( -5.161 2.382 -0.299) 5.692 19.331 ( -5.169 0.283 -0.332) 5.187 ======================= Grid point 119 (56/56) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -4.404 1.495 -0.288) 4.659 1.044 ( 4.404 1.495 0.288) 4.659 1.200 ( 0.387 5.395 -5.645) 7.818 1.200 ( -0.387 5.395 5.645) 7.818 1.254 ( -5.396 -0.925 -0.518) 5.499 1.254 ( 5.396 -0.925 0.518) 5.499 1.344 ( 0.844 -4.816 -4.436) 6.602 1.344 ( -0.844 -4.816 4.436) 6.602 1.516 ( -0.025 4.279 -3.810) 5.730 1.516 ( 0.025 4.279 3.810) 5.730 1.679 ( -2.110 -3.505 -1.027) 4.218 1.679 ( 2.110 -3.505 1.027) 4.218 1.828 ( -0.363 1.023 -3.135) 3.318 1.828 ( 0.363 1.023 3.135) 3.318 2.012 ( -6.580 2.728 -1.042) 7.199 2.012 ( 6.580 2.728 1.042) 7.199 2.067 ( -4.345 -2.125 -1.140) 4.969 2.067 ( 4.345 -2.125 1.140) 4.969 2.128 ( -1.140 -3.887 -0.597) 4.095 2.128 ( 1.140 -3.887 0.597) 4.095 2.250 ( -1.238 4.437 -1.608) 4.879 2.250 ( 1.238 4.437 1.608) 4.879 2.352 ( -1.101 -3.907 -2.711) 4.881 2.352 ( 1.101 -3.907 2.711) 4.881 2.583 ( -1.045 -1.633 -1.248) 2.305 2.583 ( 1.045 -1.633 1.248) 2.305 2.674 ( -1.575 0.429 -0.512) 1.711 2.674 ( 1.575 0.429 0.512) 1.711 2.817 ( -0.272 2.378 -2.461) 3.433 2.817 ( 0.272 2.378 2.461) 3.433 3.083 ( -1.398 2.353 -2.334) 3.597 3.083 ( 1.398 2.353 2.334) 3.597 3.123 ( 0.082 1.162 -2.344) 2.617 3.123 ( -0.082 1.162 2.344) 2.617 3.153 ( -2.245 -2.091 -0.994) 3.225 3.153 ( 2.245 -2.091 0.994) 3.225 3.304 ( -0.682 2.719 -0.461) 2.841 3.304 ( 0.682 2.719 0.461) 2.841 3.367 ( -0.980 1.182 -1.244) 1.976 3.367 ( 0.980 1.182 1.244) 1.976 3.499 ( -0.396 -1.857 -1.518) 2.431 3.499 ( 0.396 -1.857 1.518) 2.431 3.593 ( 0.077 1.257 -1.298) 1.809 3.593 ( -0.077 1.257 1.298) 1.809 3.615 ( -1.180 1.941 -1.314) 2.624 3.615 ( 1.180 1.941 1.314) 2.624 3.757 ( -0.914 2.525 -0.520) 2.736 3.757 ( 0.914 2.525 0.520) 2.736 3.780 ( -1.902 1.851 -0.176) 2.660 3.780 ( 1.902 1.851 0.176) 2.660 3.850 ( 0.105 -0.683 -1.913) 2.034 3.850 ( -0.105 -0.683 1.913) 2.034 3.877 ( 1.165 -0.284 -1.014) 1.571 3.877 ( -1.165 -0.284 1.014) 1.571 3.903 ( -0.422 -1.262 -0.658) 1.484 3.903 ( 0.422 -1.262 0.658) 1.484 4.002 ( 0.260 -1.045 -1.516) 1.859 4.002 ( -0.260 -1.045 1.516) 1.859 4.131 ( -0.884 -0.360 -1.091) 1.450 4.131 ( 0.884 -0.360 1.091) 1.450 4.161 ( 0.334 -1.170 -0.665) 1.387 4.161 ( -0.334 -1.170 0.665) 1.387 4.185 ( -0.960 -0.776 -0.767) 1.453 4.185 ( 0.960 -0.776 0.767) 1.453 4.377 ( -1.198 2.532 -0.785) 2.909 4.377 ( 1.198 2.532 0.785) 2.909 4.403 ( -1.925 2.790 -0.386) 3.412 4.403 ( 1.925 2.790 0.386) 3.412 4.461 ( -3.121 0.408 -0.252) 3.158 4.461 ( 3.121 0.408 0.252) 3.158 4.530 ( 1.924 -0.434 -1.261) 2.341 4.530 ( -1.924 -0.434 1.261) 2.341 4.624 ( -1.320 -1.087 -0.802) 1.888 4.624 ( 1.320 -1.087 0.802) 1.888 4.713 ( -2.091 -1.850 -1.913) 3.385 4.713 ( 2.091 -1.850 1.913) 3.385 4.932 ( -0.445 1.067 -0.916) 1.475 4.932 ( 0.445 1.067 0.916) 1.475 5.032 ( -0.780 -0.769 -0.699) 1.299 5.032 ( 0.780 -0.769 0.699) 1.299 5.183 ( 0.367 0.102 -0.334) 0.507 5.183 ( -0.367 0.102 0.334) 0.507 5.343 ( -2.212 -1.278 0.092) 2.557 5.343 ( 2.212 -1.278 -0.092) 2.557 5.414 ( -2.335 1.917 -0.675) 3.095 5.414 ( 2.335 1.917 0.675) 3.095 5.487 ( -2.076 -1.704 0.060) 2.686 5.487 ( 2.076 -1.704 -0.060) 2.686 5.802 ( 0.133 -0.401 -0.943) 1.033 5.802 ( -0.133 -0.401 0.943) 1.033 5.836 ( -0.617 -1.893 -0.175) 1.999 5.836 ( 0.617 -1.893 0.175) 1.999 6.478 ( -0.753 1.477 -0.454) 1.719 6.478 ( 0.753 1.477 0.454) 1.719 6.526 ( -1.117 -1.850 0.231) 2.174 6.526 ( 1.117 -1.850 -0.231) 2.174 6.695 ( -0.696 2.036 -0.572) 2.226 6.695 ( 0.696 2.036 0.572) 2.226 6.742 ( 0.216 -1.629 -0.667) 1.774 6.742 ( -0.216 -1.629 0.667) 1.774 7.021 ( -0.282 -0.524 -0.276) 0.656 7.021 ( 0.282 -0.524 0.276) 0.656 7.052 ( -0.284 -0.322 0.022) 0.430 7.052 ( 0.284 -0.322 -0.022) 0.430 14.219 ( -0.182 -0.257 0.009) 0.315 14.219 ( 0.182 -0.257 -0.009) 0.315 14.297 ( 0.312 -0.103 -0.119) 0.349 14.297 ( -0.312 -0.103 0.119) 0.349 15.036 ( -0.324 0.054 -0.181) 0.375 15.036 ( 0.324 0.054 0.181) 0.375 15.147 ( -0.165 -0.008 -0.261) 0.309 15.147 ( 0.165 -0.008 0.261) 0.309 15.439 ( -0.527 2.017 -0.481) 2.140 15.439 ( 0.527 2.017 0.481) 2.140 15.476 ( 1.074 0.596 -0.654) 1.392 15.476 ( -1.074 0.596 0.654) 1.392 15.868 ( -0.702 -1.313 -0.177) 1.500 15.868 ( 0.702 -1.313 0.177) 1.500 15.907 ( -1.454 -1.241 -0.072) 1.913 15.907 ( 1.454 -1.241 0.072) 1.913 16.120 ( -0.363 -0.472 -0.460) 0.753 16.120 ( 0.363 -0.472 0.460) 0.753 16.174 ( 0.120 -1.399 -0.257) 1.428 16.174 ( -0.120 -1.399 0.257) 1.428 17.437 ( -0.015 0.663 -0.688) 0.955 17.437 ( 0.015 0.663 0.688) 0.955 17.506 ( -0.071 -1.334 -0.705) 1.511 17.506 ( 0.071 -1.334 0.705) 1.511 17.993 ( -1.204 2.133 -0.388) 2.480 17.993 ( 1.204 2.133 0.388) 2.480 18.059 ( 0.224 -1.016 -0.564) 1.183 18.059 ( -0.224 -1.016 0.564) 1.183 18.161 ( 0.552 2.815 -2.815) 4.020 18.161 ( -0.552 2.815 2.815) 4.020 18.273 ( 0.566 -2.839 -1.825) 3.422 18.273 ( -0.566 -2.839 1.825) 3.422 18.721 ( -0.493 0.870 -1.431) 1.746 18.721 ( 0.493 0.870 1.431) 1.746 18.828 ( 0.589 0.166 -0.658) 0.898 18.828 ( -0.589 0.166 0.658) 0.898 19.090 ( -0.778 1.928 -0.059) 2.080 19.090 ( 0.778 1.928 0.059) 2.080 19.259 ( -0.767 1.032 -0.556) 1.400 19.259 ( 0.767 1.032 0.556) 1.400 =================== 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 3/24192 10.0 88.861 75.905 73.959 0.000 7.896 0.000 3/24192 20.0 16.815 14.828 12.657 0.000 1.085 0.000 3/24192 30.0 7.372 6.601 5.427 0.000 0.460 0.000 3/24192 40.0 4.419 3.994 3.223 0.000 0.264 0.000 3/24192 50.0 3.106 2.825 2.251 0.000 0.177 0.000 3/24192 60.0 2.391 2.184 1.724 0.000 0.131 0.000 3/24192 70.0 1.948 1.785 1.398 0.000 0.104 0.000 3/24192 80.0 1.648 1.513 1.178 0.000 0.086 0.000 3/24192 90.0 1.431 1.316 1.018 0.000 0.073 0.000 3/24192 100.0 1.267 1.166 0.898 0.000 0.064 0.000 3/24192 110.0 1.138 1.048 0.804 0.000 0.057 0.000 3/24192 120.0 1.034 0.952 0.728 0.000 0.051 0.000 3/24192 130.0 0.948 0.873 0.666 0.000 0.046 0.000 3/24192 140.0 0.875 0.807 0.613 0.000 0.042 0.000 3/24192 150.0 0.813 0.750 0.569 0.000 0.039 0.000 3/24192 160.0 0.760 0.701 0.531 0.000 0.036 0.000 3/24192 170.0 0.713 0.658 0.497 0.000 0.034 0.000 3/24192 180.0 0.672 0.620 0.468 0.000 0.032 0.000 3/24192 190.0 0.636 0.587 0.442 0.000 0.030 0.000 3/24192 200.0 0.603 0.557 0.419 0.000 0.028 0.000 3/24192 210.0 0.574 0.530 0.398 0.000 0.027 0.000 3/24192 220.0 0.547 0.505 0.379 0.000 0.026 0.000 3/24192 230.0 0.523 0.483 0.362 0.000 0.024 0.000 3/24192 240.0 0.501 0.463 0.346 0.000 0.023 0.000 3/24192 250.0 0.480 0.444 0.332 0.000 0.022 0.000 3/24192 260.0 0.462 0.427 0.319 0.000 0.021 0.000 3/24192 270.0 0.444 0.411 0.306 0.000 0.021 0.000 3/24192 280.0 0.428 0.396 0.295 0.000 0.020 0.000 3/24192 290.0 0.414 0.383 0.285 0.000 0.019 0.000 3/24192 300.0 0.400 0.370 0.275 0.000 0.018 0.000 3/24192 310.0 0.387 0.358 0.266 0.000 0.018 0.000 3/24192 320.0 0.374 0.347 0.258 0.000 0.017 0.000 3/24192 330.0 0.363 0.336 0.250 0.000 0.017 0.000 3/24192 340.0 0.352 0.326 0.242 0.000 0.016 0.000 3/24192 350.0 0.342 0.317 0.235 0.000 0.016 0.000 3/24192 360.0 0.333 0.308 0.229 0.000 0.015 0.000 3/24192 370.0 0.324 0.300 0.222 0.000 0.015 0.000 3/24192 380.0 0.315 0.292 0.216 0.000 0.014 0.000 3/24192 390.0 0.307 0.285 0.211 0.000 0.014 0.000 3/24192 400.0 0.299 0.278 0.205 0.000 0.014 0.000 3/24192 410.0 0.292 0.271 0.200 0.000 0.013 0.000 3/24192 420.0 0.285 0.264 0.196 0.000 0.013 0.000 3/24192 430.0 0.278 0.258 0.191 0.000 0.013 0.000 3/24192 440.0 0.272 0.252 0.187 0.000 0.012 0.000 3/24192 450.0 0.266 0.247 0.182 0.000 0.012 0.000 3/24192 460.0 0.260 0.241 0.178 0.000 0.012 0.000 3/24192 470.0 0.255 0.236 0.175 0.000 0.012 0.000 3/24192 480.0 0.249 0.231 0.171 0.000 0.011 0.000 3/24192 490.0 0.244 0.227 0.167 0.000 0.011 0.000 3/24192 500.0 0.239 0.222 0.164 0.000 0.011 0.000 3/24192 510.0 0.235 0.218 0.161 0.000 0.011 0.000 3/24192 520.0 0.230 0.214 0.158 0.000 0.010 0.000 3/24192 530.0 0.226 0.210 0.155 0.000 0.010 0.000 3/24192 540.0 0.222 0.206 0.152 0.000 0.010 0.000 3/24192 550.0 0.218 0.202 0.149 0.000 0.010 0.000 3/24192 560.0 0.214 0.198 0.146 0.000 0.010 0.000 3/24192 570.0 0.210 0.195 0.144 0.000 0.010 0.000 3/24192 580.0 0.206 0.192 0.141 0.000 0.009 0.000 3/24192 590.0 0.203 0.188 0.139 0.000 0.009 0.000 3/24192 600.0 0.199 0.185 0.137 0.000 0.009 0.000 3/24192 610.0 0.196 0.182 0.134 0.000 0.009 0.000 3/24192 620.0 0.193 0.179 0.132 0.000 0.009 0.000 3/24192 630.0 0.190 0.176 0.130 0.000 0.009 0.000 3/24192 640.0 0.187 0.174 0.128 0.000 0.008 0.000 3/24192 650.0 0.184 0.171 0.126 0.000 0.008 0.000 3/24192 660.0 0.181 0.168 0.124 0.000 0.008 0.000 3/24192 670.0 0.179 0.166 0.122 0.000 0.008 0.000 3/24192 680.0 0.176 0.164 0.120 0.000 0.008 0.000 3/24192 690.0 0.173 0.161 0.119 0.000 0.008 0.000 3/24192 700.0 0.171 0.159 0.117 0.000 0.008 0.000 3/24192 710.0 0.169 0.157 0.115 0.000 0.008 0.000 3/24192 720.0 0.166 0.154 0.114 0.000 0.008 0.000 3/24192 730.0 0.164 0.152 0.112 0.000 0.007 0.000 3/24192 740.0 0.162 0.150 0.111 0.000 0.007 0.000 3/24192 750.0 0.160 0.148 0.109 0.000 0.007 0.000 3/24192 760.0 0.158 0.146 0.108 0.000 0.007 0.000 3/24192 770.0 0.155 0.144 0.106 0.000 0.007 0.000 3/24192 780.0 0.153 0.143 0.105 0.000 0.007 0.000 3/24192 790.0 0.152 0.141 0.104 0.000 0.007 0.000 3/24192 800.0 0.150 0.139 0.102 0.000 0.007 0.000 3/24192 810.0 0.148 0.137 0.101 0.000 0.007 0.000 3/24192 820.0 0.146 0.136 0.100 0.000 0.007 0.000 3/24192 830.0 0.144 0.134 0.099 0.000 0.007 0.000 3/24192 840.0 0.143 0.132 0.097 0.000 0.006 0.000 3/24192 850.0 0.141 0.131 0.096 0.000 0.006 0.000 3/24192 860.0 0.139 0.129 0.095 0.000 0.006 0.000 3/24192 870.0 0.138 0.128 0.094 0.000 0.006 0.000 3/24192 880.0 0.136 0.126 0.093 0.000 0.006 0.000 3/24192 890.0 0.135 0.125 0.092 0.000 0.006 0.000 3/24192 900.0 0.133 0.124 0.091 0.000 0.006 0.000 3/24192 910.0 0.132 0.122 0.090 0.000 0.006 0.000 3/24192 920.0 0.130 0.121 0.089 0.000 0.006 0.000 3/24192 930.0 0.129 0.120 0.088 0.000 0.006 0.000 3/24192 940.0 0.127 0.118 0.087 0.000 0.006 0.000 3/24192 950.0 0.126 0.117 0.086 0.000 0.006 0.000 3/24192 960.0 0.125 0.116 0.085 0.000 0.006 0.000 3/24192 970.0 0.123 0.115 0.084 0.000 0.006 0.000 3/24192 980.0 0.122 0.114 0.083 0.000 0.006 0.000 3/24192 990.0 0.121 0.112 0.083 0.000 0.005 0.000 3/24192 1000.0 0.120 0.111 0.082 0.000 0.005 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m674.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:07:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|