----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:57:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 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 5.423099050001513 0.000000000000000 0.000000000000000 b 0.000000000000000 12.137214959999998 0.000000000000000 c -0.078117023378138 0.000000000000000 8.203772178340509 Atomic positions (fractional): *1 F 0.20435079845021 0.86227056573396 0.52748375030252 18.998 2 F 0.79564920154979 0.36227056573396 0.97251624969748 18.998 3 F 0.79564920154979 0.13772943426604 0.47251624969749 18.998 4 F 0.20435079845021 0.63772943426604 0.02748375030252 18.998 *5 F 0.01519290872196 0.74528902101343 0.30451180039453 18.998 6 F 0.98480709127804 0.24528902101343 0.19548819960547 18.998 7 F 0.98480709127804 0.25471097898657 0.69548819960547 18.998 8 F 0.01519290872196 0.75471097898657 0.80451180039453 18.998 *9 F 0.79957387319523 0.96186417947570 0.71013642526408 18.998 10 F 0.20042612680477 0.46186417947570 0.78986357473592 18.998 11 F 0.20042612680477 0.03813582052430 0.28986357473592 18.998 12 F 0.79957387319523 0.53813582052430 0.21013642526408 18.998 *13 F 0.49081628519406 0.89498013278803 0.07556143456668 18.998 14 F 0.50918371480594 0.39498013278803 0.42443856543332 18.998 15 F 0.50918371480594 0.10501986721197 0.92443856543332 18.998 16 F 0.49081628519406 0.60501986721197 0.57556143456668 18.998 *17 F 0.49066806704419 0.76982639347061 0.79551593885121 18.998 18 F 0.50933193295581 0.26982639347061 0.70448406114879 18.998 19 F 0.50933193295581 0.23017360652939 0.20448406114879 18.998 20 F 0.49066806704419 0.73017360652939 0.29551593885121 18.998 *21 F 0.61793020167653 0.57401738846196 0.87222170040868 18.998 22 F 0.38206979832347 0.07401738846196 0.62777829959132 18.998 23 F 0.38206979832347 0.42598261153804 0.12777829959132 18.998 24 F 0.61793020167653 0.92598261153804 0.37222170040868 18.998 *25 F 0.01626574396191 0.89521415042039 0.09106388139585 18.998 26 F 0.98373425603809 0.39521415042039 0.40893611860415 18.998 27 F 0.98373425603809 0.10478584957961 0.90893611860415 18.998 28 F 0.01626574396191 0.60478584957961 0.59106388139585 18.998 *29 Sc 0.27834490644299 0.87409626075817 0.28501074351895 44.956 30 Sc 0.72165509355701 0.37409626075816 0.21498925648105 44.956 31 Sc 0.72165509355701 0.12590373924184 0.71498925648105 44.956 32 Sc 0.27834490644299 0.62590373924183 0.78501074351895 44.956 *33 Sr 0.76374023793490 0.43842960464960 0.67652612708859 87.620 34 Sr 0.23625976206510 0.93842960464960 0.82347387291141 87.620 35 Sr 0.23625976206510 0.56157039535040 0.32347387291141 87.620 36 Sr 0.76374023793490 0.06157039535040 0.17652612708859 87.620 *37 Sr 0.76387990397360 0.77965115205227 0.55276463378346 87.620 38 Sr 0.23612009602640 0.27965115205227 0.94723536621654 87.620 39 Sr 0.23612009602640 0.22034884794773 0.44723536621654 87.620 40 Sr 0.76387990397360 0.72034884794773 0.05276463378346 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.423099050001513 0.000000000000000 0.000000000000000 b 0.000000000000000 12.137214959999998 0.000000000000000 c -0.078117023378138 0.000000000000000 8.203772178340509 Atomic positions (fractional): *1 F 0.20435079845021 0.86227056573396 0.52748375030252 18.998 > 1 2 F 0.79564920154979 0.36227056573396 0.97251624969748 18.998 > 2 3 F 0.79564920154979 0.13772943426604 0.47251624969749 18.998 > 3 4 F 0.20435079845021 0.63772943426604 0.02748375030252 18.998 > 4 *5 F 0.01519290872196 0.74528902101343 0.30451180039453 18.998 > 5 6 F 0.98480709127804 0.24528902101343 0.19548819960547 18.998 > 6 7 F 0.98480709127804 0.25471097898657 0.69548819960547 18.998 > 7 8 F 0.01519290872196 0.75471097898657 0.80451180039453 18.998 > 8 *9 F 0.79957387319523 0.96186417947570 0.71013642526408 18.998 > 9 10 F 0.20042612680477 0.46186417947570 0.78986357473592 18.998 > 10 11 F 0.20042612680477 0.03813582052430 0.28986357473592 18.998 > 11 12 F 0.79957387319523 0.53813582052430 0.21013642526408 18.998 > 12 *13 F 0.49081628519406 0.89498013278803 0.07556143456668 18.998 > 13 14 F 0.50918371480594 0.39498013278803 0.42443856543332 18.998 > 14 15 F 0.50918371480594 0.10501986721197 0.92443856543332 18.998 > 15 16 F 0.49081628519406 0.60501986721197 0.57556143456668 18.998 > 16 *17 F 0.49066806704419 0.76982639347061 0.79551593885121 18.998 > 17 18 F 0.50933193295581 0.26982639347061 0.70448406114879 18.998 > 18 19 F 0.50933193295581 0.23017360652939 0.20448406114879 18.998 > 19 20 F 0.49066806704419 0.73017360652939 0.29551593885121 18.998 > 20 *21 F 0.61793020167653 0.57401738846196 0.87222170040868 18.998 > 21 22 F 0.38206979832347 0.07401738846196 0.62777829959132 18.998 > 22 23 F 0.38206979832347 0.42598261153804 0.12777829959132 18.998 > 23 24 F 0.61793020167653 0.92598261153804 0.37222170040868 18.998 > 24 *25 F 0.01626574396191 0.89521415042039 0.09106388139585 18.998 > 25 26 F 0.98373425603809 0.39521415042039 0.40893611860415 18.998 > 26 27 F 0.98373425603809 0.10478584957961 0.90893611860415 18.998 > 27 28 F 0.01626574396191 0.60478584957961 0.59106388139585 18.998 > 28 *29 Sc 0.27834490644299 0.87409626075817 0.28501074351895 44.956 > 29 30 Sc 0.72165509355701 0.37409626075816 0.21498925648105 44.956 > 30 31 Sc 0.72165509355701 0.12590373924184 0.71498925648105 44.956 > 31 32 Sc 0.27834490644299 0.62590373924183 0.78501074351895 44.956 > 32 *33 Sr 0.76374023793490 0.43842960464960 0.67652612708859 87.620 > 33 34 Sr 0.23625976206510 0.93842960464960 0.82347387291141 87.620 > 34 35 Sr 0.23625976206510 0.56157039535040 0.32347387291141 87.620 > 35 36 Sr 0.76374023793490 0.06157039535040 0.17652612708859 87.620 > 36 *37 Sr 0.76387990397360 0.77965115205227 0.55276463378346 87.620 > 37 38 Sr 0.23612009602640 0.27965115205227 0.94723536621654 87.620 > 38 39 Sr 0.23612009602640 0.22034884794773 0.44723536621654 87.620 > 39 40 Sr 0.76387990397360 0.72034884794773 0.05276463378346 87.620 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.846198100003026 0.000000000000000 0.000000000000000 b 0.000000000000000 12.137214959999998 0.000000000000000 c -0.078117023378138 0.000000000000000 8.203772178340509 Atomic positions (fractional): *1 F 0.10217539922510 0.86227056573396 0.52748375030252 18.998 > 1 2 F 0.60217539922510 0.86227056573396 0.52748375030252 18.998 > 1 3 F 0.39782460077490 0.36227056573396 0.97251624969748 18.998 > 2 4 F 0.89782460077490 0.36227056573396 0.97251624969748 18.998 > 2 5 F 0.39782460077490 0.13772943426604 0.47251624969749 18.998 > 3 6 F 0.89782460077490 0.13772943426604 0.47251624969749 18.998 > 3 7 F 0.10217539922510 0.63772943426604 0.02748375030252 18.998 > 4 8 F 0.60217539922510 0.63772943426604 0.02748375030252 18.998 > 4 *9 F 0.00759645436098 0.74528902101343 0.30451180039453 18.998 > 5 10 F 0.50759645436098 0.74528902101343 0.30451180039453 18.998 > 5 11 F 0.49240354563902 0.24528902101343 0.19548819960547 18.998 > 6 12 F 0.99240354563902 0.24528902101343 0.19548819960547 18.998 > 6 13 F 0.49240354563902 0.25471097898657 0.69548819960547 18.998 > 7 14 F 0.99240354563902 0.25471097898657 0.69548819960547 18.998 > 7 15 F 0.00759645436098 0.75471097898657 0.80451180039453 18.998 > 8 16 F 0.50759645436098 0.75471097898657 0.80451180039453 18.998 > 8 *17 F 0.39978693659761 0.96186417947570 0.71013642526408 18.998 > 9 18 F 0.89978693659761 0.96186417947570 0.71013642526408 18.998 > 9 19 F 0.10021306340239 0.46186417947570 0.78986357473592 18.998 > 10 20 F 0.60021306340239 0.46186417947570 0.78986357473592 18.998 > 10 21 F 0.10021306340239 0.03813582052430 0.28986357473592 18.998 > 11 22 F 0.60021306340239 0.03813582052430 0.28986357473592 18.998 > 11 23 F 0.39978693659761 0.53813582052430 0.21013642526408 18.998 > 12 24 F 0.89978693659761 0.53813582052430 0.21013642526408 18.998 > 12 *25 F 0.24540814259703 0.89498013278803 0.07556143456668 18.998 > 13 26 F 0.74540814259703 0.89498013278803 0.07556143456668 18.998 > 13 27 F 0.25459185740297 0.39498013278803 0.42443856543332 18.998 > 14 28 F 0.75459185740297 0.39498013278803 0.42443856543332 18.998 > 14 29 F 0.25459185740297 0.10501986721197 0.92443856543332 18.998 > 15 30 F 0.75459185740297 0.10501986721197 0.92443856543332 18.998 > 15 31 F 0.24540814259703 0.60501986721197 0.57556143456668 18.998 > 16 32 F 0.74540814259703 0.60501986721197 0.57556143456668 18.998 > 16 *33 F 0.24533403352209 0.76982639347061 0.79551593885121 18.998 > 17 34 F 0.74533403352209 0.76982639347061 0.79551593885121 18.998 > 17 35 F 0.25466596647791 0.26982639347061 0.70448406114879 18.998 > 18 36 F 0.75466596647791 0.26982639347061 0.70448406114879 18.998 > 18 37 F 0.25466596647791 0.23017360652939 0.20448406114879 18.998 > 19 38 F 0.75466596647791 0.23017360652939 0.20448406114879 18.998 > 19 39 F 0.24533403352209 0.73017360652939 0.29551593885121 18.998 > 20 40 F 0.74533403352209 0.73017360652939 0.29551593885121 18.998 > 20 *41 F 0.30896510083827 0.57401738846196 0.87222170040868 18.998 > 21 42 F 0.80896510083827 0.57401738846196 0.87222170040868 18.998 > 21 43 F 0.19103489916173 0.07401738846196 0.62777829959132 18.998 > 22 44 F 0.69103489916173 0.07401738846196 0.62777829959132 18.998 > 22 45 F 0.19103489916173 0.42598261153804 0.12777829959132 18.998 > 23 46 F 0.69103489916173 0.42598261153804 0.12777829959132 18.998 > 23 47 F 0.30896510083827 0.92598261153804 0.37222170040868 18.998 > 24 48 F 0.80896510083827 0.92598261153804 0.37222170040868 18.998 > 24 *49 F 0.00813287198095 0.89521415042039 0.09106388139585 18.998 > 25 50 F 0.50813287198096 0.89521415042039 0.09106388139585 18.998 > 25 51 F 0.49186712801904 0.39521415042039 0.40893611860415 18.998 > 26 52 F 0.99186712801904 0.39521415042039 0.40893611860415 18.998 > 26 53 F 0.49186712801904 0.10478584957961 0.90893611860415 18.998 > 27 54 F 0.99186712801904 0.10478584957961 0.90893611860415 18.998 > 27 55 F 0.00813287198095 0.60478584957961 0.59106388139585 18.998 > 28 56 F 0.50813287198096 0.60478584957961 0.59106388139585 18.998 > 28 *57 Sc 0.13917245322149 0.87409626075817 0.28501074351895 44.956 > 29 58 Sc 0.63917245322149 0.87409626075817 0.28501074351895 44.956 > 29 59 Sc 0.36082754677851 0.37409626075816 0.21498925648105 44.956 > 30 60 Sc 0.86082754677851 0.37409626075816 0.21498925648105 44.956 > 30 61 Sc 0.36082754677851 0.12590373924184 0.71498925648105 44.956 > 31 62 Sc 0.86082754677851 0.12590373924184 0.71498925648105 44.956 > 31 63 Sc 0.13917245322149 0.62590373924183 0.78501074351895 44.956 > 32 64 Sc 0.63917245322149 0.62590373924183 0.78501074351895 44.956 > 32 *65 Sr 0.38187011896745 0.43842960464960 0.67652612708859 87.620 > 33 66 Sr 0.88187011896745 0.43842960464960 0.67652612708859 87.620 > 33 67 Sr 0.11812988103255 0.93842960464960 0.82347387291141 87.620 > 34 68 Sr 0.61812988103255 0.93842960464960 0.82347387291141 87.620 > 34 69 Sr 0.11812988103255 0.56157039535040 0.32347387291141 87.620 > 35 70 Sr 0.61812988103255 0.56157039535040 0.32347387291141 87.620 > 35 71 Sr 0.38187011896745 0.06157039535040 0.17652612708859 87.620 > 36 72 Sr 0.88187011896745 0.06157039535040 0.17652612708859 87.620 > 36 *73 Sr 0.38193995198680 0.77965115205227 0.55276463378346 87.620 > 37 74 Sr 0.88193995198680 0.77965115205227 0.55276463378346 87.620 > 37 75 Sr 0.11806004801320 0.27965115205227 0.94723536621654 87.620 > 38 76 Sr 0.61806004801320 0.27965115205227 0.94723536621654 87.620 > 38 77 Sr 0.11806004801320 0.22034884794773 0.44723536621654 87.620 > 39 78 Sr 0.61806004801320 0.22034884794773 0.44723536621654 87.620 > 39 79 Sr 0.38193995198680 0.72034884794773 0.05276463378346 87.620 > 40 80 Sr 0.88193995198680 0.72034884794773 0.05276463378346 87.620 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4888335 0.0000000 0.0096314 0.0000000 2.5040018 0.0000000 0.0096323 0.0000000 2.5073522 -------------------------- Born effective charges -------------------------- 1 F -1.0389204 -0.0926363 0.2104980 -0.0874753 -0.8232321 0.0120605 0.1927824 0.0008151 -1.7852717 2 F -1.0389204 0.0926363 0.2104980 0.0874753 -0.8232321 -0.0120605 0.1927824 -0.0008151 -1.7852717 3 F -1.0389204 -0.0926363 0.2104980 -0.0874753 -0.8232321 0.0120605 0.1927824 0.0008151 -1.7852717 4 F -1.0389204 0.0926363 0.2104980 0.0874753 -0.8232321 -0.0120605 0.1927824 -0.0008151 -1.7852717 5 F -1.2669529 -0.2137952 0.0223185 -0.2209418 -1.2959581 -0.0231831 0.0172556 -0.0485092 -1.1330452 6 F -1.2669529 0.2137952 0.0223185 0.2209418 -1.2959581 0.0231831 0.0172556 0.0485092 -1.1330452 7 F -1.2669529 -0.2137952 0.0223185 -0.2209418 -1.2959581 -0.0231831 0.0172556 -0.0485092 -1.1330452 8 F -1.2669529 0.2137952 0.0223185 0.2209418 -1.2959581 0.0231831 0.0172556 0.0485092 -1.1330452 9 F -1.0738860 0.2385567 -0.0887795 0.2047330 -1.7741590 -0.1199210 -0.0850282 -0.1449689 -0.8287977 10 F -1.0738860 -0.2385567 -0.0887795 -0.2047330 -1.7741590 0.1199210 -0.0850282 0.1449689 -0.8287977 11 F -1.0738860 0.2385567 -0.0887795 0.2047330 -1.7741590 -0.1199210 -0.0850282 -0.1449689 -0.8287977 12 F -1.0738860 -0.2385567 -0.0887795 -0.2047330 -1.7741590 0.1199210 -0.0850282 0.1449689 -0.8287977 13 F -1.1519758 0.0008425 0.1483239 0.0034577 -1.0410641 0.0563606 0.1811507 0.0536152 -1.4365781 14 F -1.1519758 -0.0008425 0.1483239 -0.0034577 -1.0410641 -0.0563606 0.1811507 -0.0536152 -1.4365781 15 F -1.1519758 0.0008425 0.1483239 0.0034577 -1.0410641 0.0563606 0.1811507 0.0536152 -1.4365781 16 F -1.1519758 -0.0008425 0.1483239 -0.0034577 -1.0410641 -0.0563606 0.1811507 -0.0536152 -1.4365781 17 F -1.1780761 -0.1336920 0.0586886 -0.1784190 -1.4503949 0.0160536 0.0461493 0.0056202 -1.0622973 18 F -1.1780761 0.1336920 0.0586886 0.1784190 -1.4503949 -0.0160536 0.0461493 -0.0056202 -1.0622973 19 F -1.1780761 -0.1336920 0.0586886 -0.1784190 -1.4503949 0.0160536 0.0461493 0.0056202 -1.0622973 20 F -1.1780761 0.1336920 0.0586886 0.1784190 -1.4503949 -0.0160536 0.0461493 -0.0056202 -1.0622973 21 F -1.4259468 0.1749002 -0.2087770 0.2003782 -1.1039875 -0.2041245 -0.2158932 -0.1925318 -1.0571467 22 F -1.4259468 -0.1749002 -0.2087770 -0.2003782 -1.1039875 0.2041245 -0.2158932 0.1925318 -1.0571467 23 F -1.4259468 0.1749002 -0.2087770 0.2003782 -1.1039875 -0.2041245 -0.2158932 -0.1925318 -1.0571467 24 F -1.4259468 -0.1749002 -0.2087770 -0.2003782 -1.1039875 0.2041245 -0.2158932 0.1925318 -1.0571467 25 F -1.2313406 0.0428528 -0.1976311 0.0183498 -1.1037231 0.0098643 -0.1914359 0.0049314 -1.2992427 26 F -1.2313406 -0.0428528 -0.1976311 -0.0183498 -1.1037231 -0.0098643 -0.1914359 -0.0049314 -1.2992427 27 F -1.2313406 0.0428528 -0.1976311 0.0183498 -1.1037231 0.0098643 -0.1914359 0.0049314 -1.2992427 28 F -1.2313406 -0.0428528 -0.1976311 -0.0183498 -1.1037231 -0.0098643 -0.1914359 -0.0049314 -1.2992427 29 Sc 3.4418939 0.0353045 0.0327019 0.0455421 3.4871771 -0.1412481 0.0244586 -0.0720151 3.4745815 30 Sc 3.4418939 -0.0353045 0.0327019 -0.0455421 3.4871771 0.1412481 0.0244586 0.0720151 3.4745815 31 Sc 3.4418939 0.0353045 0.0327019 0.0455421 3.4871771 -0.1412481 0.0244586 -0.0720151 3.4745815 32 Sc 3.4418939 -0.0353045 0.0327019 -0.0455421 3.4871771 0.1412481 0.0244586 0.0720151 3.4745815 33 Sr 2.3589799 -0.0314717 -0.0307918 0.0297254 2.6890039 0.1019678 0.0286126 0.0214239 2.5362657 34 Sr 2.3589799 0.0314717 -0.0307918 -0.0297254 2.6890039 -0.1019678 0.0286126 -0.0214239 2.5362657 35 Sr 2.3589799 -0.0314717 -0.0307918 0.0297254 2.6890039 0.1019678 0.0286126 0.0214239 2.5362657 36 Sr 2.3589799 0.0314717 -0.0307918 -0.0297254 2.6890039 -0.1019678 0.0286126 -0.0214239 2.5362657 37 Sr 2.5662247 -0.0663410 0.0534485 -0.0038849 2.4163379 -0.1327877 0.0019480 -0.2015035 2.5915322 38 Sr 2.5662247 0.0663410 0.0534485 0.0038849 2.4163379 0.1327877 0.0019480 0.2015035 2.5915322 39 Sr 2.5662247 -0.0663410 0.0534485 -0.0038849 2.4163379 -0.1327877 0.0019480 -0.2015035 2.5915322 40 Sr 2.5662247 0.0663410 0.0534485 0.0038849 2.4163379 0.1327877 0.0019480 0.2015035 2.5915322 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.754 Solver_block: 200 / 1200 - Time: 0.587 Solver_block: 300 / 1200 - Time: 0.587 Solver_block: 400 / 1200 - Time: 0.589 Solver_block: 500 / 1200 - Time: 0.587 Solver_block: 600 / 1200 - Time: 0.587 Solver_block: 700 / 1200 - Time: 0.586 Solver_block: 800 / 1200 - Time: 0.589 Solver_block: 900 / 1200 - Time: 0.593 Solver_block: 1000 / 1200 - Time: 0.587 Solver_block: 1100 / 1200 - Time: 0.586 Solver_block: 1200 / 1200 - Time: 0.590 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.401 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:57:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:57:48]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.423099050001513 0.000000000000000 0.000000000000000 b 0.000000000000000 12.137214959999998 0.000000000000000 c -0.078117023378138 0.000000000000000 8.203772178340509 Atomic positions (fractional): 1 F 0.20435079845021 0.86227056573396 0.52748375030252 18.998 2 F 0.79564920154979 0.36227056573396 0.97251624969748 18.998 3 F 0.79564920154979 0.13772943426604 0.47251624969749 18.998 4 F 0.20435079845021 0.63772943426604 0.02748375030252 18.998 5 F 0.01519290872196 0.74528902101343 0.30451180039453 18.998 6 F 0.98480709127804 0.24528902101343 0.19548819960547 18.998 7 F 0.98480709127804 0.25471097898657 0.69548819960547 18.998 8 F 0.01519290872196 0.75471097898657 0.80451180039453 18.998 9 F 0.79957387319523 0.96186417947570 0.71013642526408 18.998 10 F 0.20042612680477 0.46186417947570 0.78986357473592 18.998 11 F 0.20042612680477 0.03813582052430 0.28986357473592 18.998 12 F 0.79957387319523 0.53813582052430 0.21013642526408 18.998 13 F 0.49081628519406 0.89498013278803 0.07556143456668 18.998 14 F 0.50918371480594 0.39498013278803 0.42443856543332 18.998 15 F 0.50918371480594 0.10501986721197 0.92443856543332 18.998 16 F 0.49081628519406 0.60501986721197 0.57556143456668 18.998 17 F 0.49066806704419 0.76982639347061 0.79551593885121 18.998 18 F 0.50933193295581 0.26982639347061 0.70448406114879 18.998 19 F 0.50933193295581 0.23017360652939 0.20448406114879 18.998 20 F 0.49066806704419 0.73017360652939 0.29551593885121 18.998 21 F 0.61793020167653 0.57401738846196 0.87222170040868 18.998 22 F 0.38206979832347 0.07401738846196 0.62777829959132 18.998 23 F 0.38206979832347 0.42598261153804 0.12777829959132 18.998 24 F 0.61793020167653 0.92598261153804 0.37222170040868 18.998 25 F 0.01626574396191 0.89521415042039 0.09106388139585 18.998 26 F 0.98373425603809 0.39521415042039 0.40893611860415 18.998 27 F 0.98373425603809 0.10478584957961 0.90893611860415 18.998 28 F 0.01626574396191 0.60478584957961 0.59106388139585 18.998 29 Sc 0.27834490644299 0.87409626075817 0.28501074351895 44.956 30 Sc 0.72165509355701 0.37409626075816 0.21498925648105 44.956 31 Sc 0.72165509355701 0.12590373924184 0.71498925648105 44.956 32 Sc 0.27834490644299 0.62590373924183 0.78501074351895 44.956 33 Sr 0.76374023793490 0.43842960464960 0.67652612708859 87.620 34 Sr 0.23625976206510 0.93842960464960 0.82347387291141 87.620 35 Sr 0.23625976206510 0.56157039535040 0.32347387291141 87.620 36 Sr 0.76374023793490 0.06157039535040 0.17652612708859 87.620 37 Sr 0.76387990397360 0.77965115205227 0.55276463378346 87.620 38 Sr 0.23612009602640 0.27965115205227 0.94723536621654 87.620 39 Sr 0.23612009602640 0.22034884794773 0.44723536621654 87.620 40 Sr 0.76387990397360 0.72034884794773 0.05276463378346 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.846198100003026 0.000000000000000 0.000000000000000 b 0.000000000000000 12.137214959999998 0.000000000000000 c -0.078117023378138 0.000000000000000 8.203772178340509 Atomic positions (fractional): 1 F 0.10217539922510 0.86227056573396 0.52748375030252 18.998 > 1 2 F 0.60217539922510 0.86227056573396 0.52748375030252 18.998 > 1 3 F 0.39782460077490 0.36227056573396 0.97251624969748 18.998 > 3 4 F 0.89782460077490 0.36227056573396 0.97251624969748 18.998 > 3 5 F 0.39782460077490 0.13772943426604 0.47251624969749 18.998 > 5 6 F 0.89782460077490 0.13772943426604 0.47251624969749 18.998 > 5 7 F 0.10217539922510 0.63772943426604 0.02748375030252 18.998 > 7 8 F 0.60217539922510 0.63772943426604 0.02748375030252 18.998 > 7 9 F 0.00759645436098 0.74528902101343 0.30451180039453 18.998 > 9 10 F 0.50759645436098 0.74528902101343 0.30451180039453 18.998 > 9 11 F 0.49240354563902 0.24528902101343 0.19548819960547 18.998 > 11 12 F 0.99240354563902 0.24528902101343 0.19548819960547 18.998 > 11 13 F 0.49240354563902 0.25471097898657 0.69548819960547 18.998 > 13 14 F 0.99240354563902 0.25471097898657 0.69548819960547 18.998 > 13 15 F 0.00759645436098 0.75471097898657 0.80451180039453 18.998 > 15 16 F 0.50759645436098 0.75471097898657 0.80451180039453 18.998 > 15 17 F 0.39978693659761 0.96186417947570 0.71013642526408 18.998 > 17 18 F 0.89978693659761 0.96186417947570 0.71013642526408 18.998 > 17 19 F 0.10021306340239 0.46186417947570 0.78986357473592 18.998 > 19 20 F 0.60021306340239 0.46186417947570 0.78986357473592 18.998 > 19 21 F 0.10021306340239 0.03813582052430 0.28986357473592 18.998 > 21 22 F 0.60021306340239 0.03813582052430 0.28986357473592 18.998 > 21 23 F 0.39978693659761 0.53813582052430 0.21013642526408 18.998 > 23 24 F 0.89978693659761 0.53813582052430 0.21013642526408 18.998 > 23 25 F 0.24540814259703 0.89498013278803 0.07556143456668 18.998 > 25 26 F 0.74540814259703 0.89498013278803 0.07556143456668 18.998 > 25 27 F 0.25459185740297 0.39498013278803 0.42443856543332 18.998 > 27 28 F 0.75459185740297 0.39498013278803 0.42443856543332 18.998 > 27 29 F 0.25459185740297 0.10501986721197 0.92443856543332 18.998 > 29 30 F 0.75459185740297 0.10501986721197 0.92443856543332 18.998 > 29 31 F 0.24540814259703 0.60501986721197 0.57556143456668 18.998 > 31 32 F 0.74540814259703 0.60501986721197 0.57556143456668 18.998 > 31 33 F 0.24533403352209 0.76982639347061 0.79551593885121 18.998 > 33 34 F 0.74533403352209 0.76982639347061 0.79551593885121 18.998 > 33 35 F 0.25466596647791 0.26982639347061 0.70448406114879 18.998 > 35 36 F 0.75466596647791 0.26982639347061 0.70448406114879 18.998 > 35 37 F 0.25466596647791 0.23017360652939 0.20448406114879 18.998 > 37 38 F 0.75466596647791 0.23017360652939 0.20448406114879 18.998 > 37 39 F 0.24533403352209 0.73017360652939 0.29551593885121 18.998 > 39 40 F 0.74533403352209 0.73017360652939 0.29551593885121 18.998 > 39 41 F 0.30896510083827 0.57401738846196 0.87222170040868 18.998 > 41 42 F 0.80896510083827 0.57401738846196 0.87222170040868 18.998 > 41 43 F 0.19103489916173 0.07401738846196 0.62777829959132 18.998 > 43 44 F 0.69103489916173 0.07401738846196 0.62777829959132 18.998 > 43 45 F 0.19103489916173 0.42598261153804 0.12777829959132 18.998 > 45 46 F 0.69103489916173 0.42598261153804 0.12777829959132 18.998 > 45 47 F 0.30896510083827 0.92598261153804 0.37222170040868 18.998 > 47 48 F 0.80896510083827 0.92598261153804 0.37222170040868 18.998 > 47 49 F 0.00813287198095 0.89521415042039 0.09106388139585 18.998 > 49 50 F 0.50813287198096 0.89521415042039 0.09106388139585 18.998 > 49 51 F 0.49186712801904 0.39521415042039 0.40893611860415 18.998 > 51 52 F 0.99186712801904 0.39521415042039 0.40893611860415 18.998 > 51 53 F 0.49186712801904 0.10478584957961 0.90893611860415 18.998 > 53 54 F 0.99186712801904 0.10478584957961 0.90893611860415 18.998 > 53 55 F 0.00813287198095 0.60478584957961 0.59106388139585 18.998 > 55 56 F 0.50813287198096 0.60478584957961 0.59106388139585 18.998 > 55 57 Sc 0.13917245322149 0.87409626075817 0.28501074351895 44.956 > 57 58 Sc 0.63917245322149 0.87409626075817 0.28501074351895 44.956 > 57 59 Sc 0.36082754677851 0.37409626075816 0.21498925648105 44.956 > 59 60 Sc 0.86082754677851 0.37409626075816 0.21498925648105 44.956 > 59 61 Sc 0.36082754677851 0.12590373924184 0.71498925648105 44.956 > 61 62 Sc 0.86082754677851 0.12590373924184 0.71498925648105 44.956 > 61 63 Sc 0.13917245322149 0.62590373924183 0.78501074351895 44.956 > 63 64 Sc 0.63917245322149 0.62590373924183 0.78501074351895 44.956 > 63 65 Sr 0.38187011896745 0.43842960464960 0.67652612708859 87.620 > 65 66 Sr 0.88187011896745 0.43842960464960 0.67652612708859 87.620 > 65 67 Sr 0.11812988103255 0.93842960464960 0.82347387291141 87.620 > 67 68 Sr 0.61812988103255 0.93842960464960 0.82347387291141 87.620 > 67 69 Sr 0.11812988103255 0.56157039535040 0.32347387291141 87.620 > 69 70 Sr 0.61812988103255 0.56157039535040 0.32347387291141 87.620 > 69 71 Sr 0.38187011896745 0.06157039535040 0.17652612708859 87.620 > 71 72 Sr 0.88187011896745 0.06157039535040 0.17652612708859 87.620 > 71 73 Sr 0.38193995198680 0.77965115205227 0.55276463378346 87.620 > 73 74 Sr 0.88193995198680 0.77965115205227 0.55276463378346 87.620 > 73 75 Sr 0.11806004801320 0.27965115205227 0.94723536621654 87.620 > 75 76 Sr 0.61806004801320 0.27965115205227 0.94723536621654 87.620 > 75 77 Sr 0.11806004801320 0.22034884794773 0.44723536621654 87.620 > 77 78 Sr 0.61806004801320 0.22034884794773 0.44723536621654 87.620 > 77 79 Sr 0.38193995198680 0.72034884794773 0.05276463378346 87.620 > 79 80 Sr 0.88193995198680 0.72034884794773 0.05276463378346 87.620 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4888335 0.0000000 0.0096314 0.0000000 2.5040018 0.0000000 0.0096323 0.0000000 2.5073522 -------------------------- Born effective charges -------------------------- 1 F -1.0389204 -0.0926363 0.2104980 -0.0874753 -0.8232321 0.0120605 0.1927824 0.0008151 -1.7852717 2 F -1.0389204 0.0926363 0.2104980 0.0874753 -0.8232321 -0.0120605 0.1927824 -0.0008151 -1.7852717 3 F -1.0389204 -0.0926363 0.2104980 -0.0874753 -0.8232321 0.0120605 0.1927824 0.0008151 -1.7852717 4 F -1.0389204 0.0926363 0.2104980 0.0874753 -0.8232321 -0.0120605 0.1927824 -0.0008151 -1.7852717 5 F -1.2669529 -0.2137952 0.0223185 -0.2209418 -1.2959581 -0.0231831 0.0172556 -0.0485092 -1.1330452 6 F -1.2669529 0.2137952 0.0223185 0.2209418 -1.2959581 0.0231831 0.0172556 0.0485092 -1.1330452 7 F -1.2669529 -0.2137952 0.0223185 -0.2209418 -1.2959581 -0.0231831 0.0172556 -0.0485092 -1.1330452 8 F -1.2669529 0.2137952 0.0223185 0.2209418 -1.2959581 0.0231831 0.0172556 0.0485092 -1.1330452 9 F -1.0738860 0.2385567 -0.0887795 0.2047330 -1.7741590 -0.1199210 -0.0850282 -0.1449689 -0.8287977 10 F -1.0738860 -0.2385567 -0.0887795 -0.2047330 -1.7741590 0.1199210 -0.0850282 0.1449689 -0.8287977 11 F -1.0738860 0.2385567 -0.0887795 0.2047330 -1.7741590 -0.1199210 -0.0850282 -0.1449689 -0.8287977 12 F -1.0738860 -0.2385567 -0.0887795 -0.2047330 -1.7741590 0.1199210 -0.0850282 0.1449689 -0.8287977 13 F -1.1519758 0.0008425 0.1483239 0.0034577 -1.0410641 0.0563606 0.1811507 0.0536152 -1.4365781 14 F -1.1519758 -0.0008425 0.1483239 -0.0034577 -1.0410641 -0.0563606 0.1811507 -0.0536152 -1.4365781 15 F -1.1519758 0.0008425 0.1483239 0.0034577 -1.0410641 0.0563606 0.1811507 0.0536152 -1.4365781 16 F -1.1519758 -0.0008425 0.1483239 -0.0034577 -1.0410641 -0.0563606 0.1811507 -0.0536152 -1.4365781 17 F -1.1780761 -0.1336920 0.0586886 -0.1784190 -1.4503949 0.0160536 0.0461493 0.0056202 -1.0622973 18 F -1.1780761 0.1336920 0.0586886 0.1784190 -1.4503949 -0.0160536 0.0461493 -0.0056202 -1.0622973 19 F -1.1780761 -0.1336920 0.0586886 -0.1784190 -1.4503949 0.0160536 0.0461493 0.0056202 -1.0622973 20 F -1.1780761 0.1336920 0.0586886 0.1784190 -1.4503949 -0.0160536 0.0461493 -0.0056202 -1.0622973 21 F -1.4259468 0.1749002 -0.2087770 0.2003782 -1.1039875 -0.2041245 -0.2158932 -0.1925318 -1.0571467 22 F -1.4259468 -0.1749002 -0.2087770 -0.2003782 -1.1039875 0.2041245 -0.2158932 0.1925318 -1.0571467 23 F -1.4259468 0.1749002 -0.2087770 0.2003782 -1.1039875 -0.2041245 -0.2158932 -0.1925318 -1.0571467 24 F -1.4259468 -0.1749002 -0.2087770 -0.2003782 -1.1039875 0.2041245 -0.2158932 0.1925318 -1.0571467 25 F -1.2313406 0.0428528 -0.1976311 0.0183498 -1.1037231 0.0098643 -0.1914359 0.0049314 -1.2992427 26 F -1.2313406 -0.0428528 -0.1976311 -0.0183498 -1.1037231 -0.0098643 -0.1914359 -0.0049314 -1.2992427 27 F -1.2313406 0.0428528 -0.1976311 0.0183498 -1.1037231 0.0098643 -0.1914359 0.0049314 -1.2992427 28 F -1.2313406 -0.0428528 -0.1976311 -0.0183498 -1.1037231 -0.0098643 -0.1914359 -0.0049314 -1.2992427 29 Sc 3.4418939 0.0353045 0.0327019 0.0455421 3.4871771 -0.1412481 0.0244586 -0.0720151 3.4745815 30 Sc 3.4418939 -0.0353045 0.0327019 -0.0455421 3.4871771 0.1412481 0.0244586 0.0720151 3.4745815 31 Sc 3.4418939 0.0353045 0.0327019 0.0455421 3.4871771 -0.1412481 0.0244586 -0.0720151 3.4745815 32 Sc 3.4418939 -0.0353045 0.0327019 -0.0455421 3.4871771 0.1412481 0.0244586 0.0720151 3.4745815 33 Sr 2.3589799 -0.0314717 -0.0307918 0.0297254 2.6890039 0.1019678 0.0286126 0.0214239 2.5362657 34 Sr 2.3589799 0.0314717 -0.0307918 -0.0297254 2.6890039 -0.1019678 0.0286126 -0.0214239 2.5362657 35 Sr 2.3589799 -0.0314717 -0.0307918 0.0297254 2.6890039 0.1019678 0.0286126 0.0214239 2.5362657 36 Sr 2.3589799 0.0314717 -0.0307918 -0.0297254 2.6890039 -0.1019678 0.0286126 -0.0214239 2.5362657 37 Sr 2.5662247 -0.0663410 0.0534485 -0.0038849 2.4163379 -0.1327877 0.0019480 -0.2015035 2.5915322 38 Sr 2.5662247 0.0663410 0.0534485 0.0038849 2.4163379 0.1327877 0.0019480 0.2015035 2.5915322 39 Sr 2.5662247 -0.0663410 0.0534485 -0.0038849 2.4163379 -0.1327877 0.0019480 -0.2015035 2.5915322 40 Sr 2.5662247 0.0663410 0.0534485 0.0038849 2.4163379 0.1327877 0.0019480 0.2015035 2.5915322 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 9, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:58:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:58:16]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.423099050001513 0.000000000000000 0.000000000000000 b 0.000000000000000 12.137214959999998 0.000000000000000 c -0.078117023378138 0.000000000000000 8.203772178340509 Atomic positions (fractional): 1 F 0.20435079845021 0.86227056573396 0.52748375030252 18.998 2 F 0.79564920154979 0.36227056573396 0.97251624969748 18.998 3 F 0.79564920154979 0.13772943426604 0.47251624969749 18.998 4 F 0.20435079845021 0.63772943426604 0.02748375030252 18.998 5 F 0.01519290872196 0.74528902101343 0.30451180039453 18.998 6 F 0.98480709127804 0.24528902101343 0.19548819960547 18.998 7 F 0.98480709127804 0.25471097898657 0.69548819960547 18.998 8 F 0.01519290872196 0.75471097898657 0.80451180039453 18.998 9 F 0.79957387319523 0.96186417947570 0.71013642526408 18.998 10 F 0.20042612680477 0.46186417947570 0.78986357473592 18.998 11 F 0.20042612680477 0.03813582052430 0.28986357473592 18.998 12 F 0.79957387319523 0.53813582052430 0.21013642526408 18.998 13 F 0.49081628519406 0.89498013278803 0.07556143456668 18.998 14 F 0.50918371480594 0.39498013278803 0.42443856543332 18.998 15 F 0.50918371480594 0.10501986721197 0.92443856543332 18.998 16 F 0.49081628519406 0.60501986721197 0.57556143456668 18.998 17 F 0.49066806704419 0.76982639347061 0.79551593885121 18.998 18 F 0.50933193295581 0.26982639347061 0.70448406114879 18.998 19 F 0.50933193295581 0.23017360652939 0.20448406114879 18.998 20 F 0.49066806704419 0.73017360652939 0.29551593885121 18.998 21 F 0.61793020167653 0.57401738846196 0.87222170040868 18.998 22 F 0.38206979832347 0.07401738846196 0.62777829959132 18.998 23 F 0.38206979832347 0.42598261153804 0.12777829959132 18.998 24 F 0.61793020167653 0.92598261153804 0.37222170040868 18.998 25 F 0.01626574396191 0.89521415042039 0.09106388139585 18.998 26 F 0.98373425603809 0.39521415042039 0.40893611860415 18.998 27 F 0.98373425603809 0.10478584957961 0.90893611860415 18.998 28 F 0.01626574396191 0.60478584957961 0.59106388139585 18.998 29 Sc 0.27834490644299 0.87409626075817 0.28501074351895 44.956 30 Sc 0.72165509355701 0.37409626075816 0.21498925648105 44.956 31 Sc 0.72165509355701 0.12590373924184 0.71498925648105 44.956 32 Sc 0.27834490644299 0.62590373924183 0.78501074351895 44.956 33 Sr 0.76374023793490 0.43842960464960 0.67652612708859 87.620 34 Sr 0.23625976206510 0.93842960464960 0.82347387291141 87.620 35 Sr 0.23625976206510 0.56157039535040 0.32347387291141 87.620 36 Sr 0.76374023793490 0.06157039535040 0.17652612708859 87.620 37 Sr 0.76387990397360 0.77965115205227 0.55276463378346 87.620 38 Sr 0.23612009602640 0.27965115205227 0.94723536621654 87.620 39 Sr 0.23612009602640 0.22034884794773 0.44723536621654 87.620 40 Sr 0.76387990397360 0.72034884794773 0.05276463378346 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.846198100003026 0.000000000000000 0.000000000000000 b 0.000000000000000 12.137214959999998 0.000000000000000 c -0.078117023378138 0.000000000000000 8.203772178340509 Atomic positions (fractional): 1 F 0.10217539922510 0.86227056573396 0.52748375030252 18.998 > 1 2 F 0.60217539922510 0.86227056573396 0.52748375030252 18.998 > 1 3 F 0.39782460077490 0.36227056573396 0.97251624969748 18.998 > 3 4 F 0.89782460077490 0.36227056573396 0.97251624969748 18.998 > 3 5 F 0.39782460077490 0.13772943426604 0.47251624969749 18.998 > 5 6 F 0.89782460077490 0.13772943426604 0.47251624969749 18.998 > 5 7 F 0.10217539922510 0.63772943426604 0.02748375030252 18.998 > 7 8 F 0.60217539922510 0.63772943426604 0.02748375030252 18.998 > 7 9 F 0.00759645436098 0.74528902101343 0.30451180039453 18.998 > 9 10 F 0.50759645436098 0.74528902101343 0.30451180039453 18.998 > 9 11 F 0.49240354563902 0.24528902101343 0.19548819960547 18.998 > 11 12 F 0.99240354563902 0.24528902101343 0.19548819960547 18.998 > 11 13 F 0.49240354563902 0.25471097898657 0.69548819960547 18.998 > 13 14 F 0.99240354563902 0.25471097898657 0.69548819960547 18.998 > 13 15 F 0.00759645436098 0.75471097898657 0.80451180039453 18.998 > 15 16 F 0.50759645436098 0.75471097898657 0.80451180039453 18.998 > 15 17 F 0.39978693659761 0.96186417947570 0.71013642526408 18.998 > 17 18 F 0.89978693659761 0.96186417947570 0.71013642526408 18.998 > 17 19 F 0.10021306340239 0.46186417947570 0.78986357473592 18.998 > 19 20 F 0.60021306340239 0.46186417947570 0.78986357473592 18.998 > 19 21 F 0.10021306340239 0.03813582052430 0.28986357473592 18.998 > 21 22 F 0.60021306340239 0.03813582052430 0.28986357473592 18.998 > 21 23 F 0.39978693659761 0.53813582052430 0.21013642526408 18.998 > 23 24 F 0.89978693659761 0.53813582052430 0.21013642526408 18.998 > 23 25 F 0.24540814259703 0.89498013278803 0.07556143456668 18.998 > 25 26 F 0.74540814259703 0.89498013278803 0.07556143456668 18.998 > 25 27 F 0.25459185740297 0.39498013278803 0.42443856543332 18.998 > 27 28 F 0.75459185740297 0.39498013278803 0.42443856543332 18.998 > 27 29 F 0.25459185740297 0.10501986721197 0.92443856543332 18.998 > 29 30 F 0.75459185740297 0.10501986721197 0.92443856543332 18.998 > 29 31 F 0.24540814259703 0.60501986721197 0.57556143456668 18.998 > 31 32 F 0.74540814259703 0.60501986721197 0.57556143456668 18.998 > 31 33 F 0.24533403352209 0.76982639347061 0.79551593885121 18.998 > 33 34 F 0.74533403352209 0.76982639347061 0.79551593885121 18.998 > 33 35 F 0.25466596647791 0.26982639347061 0.70448406114879 18.998 > 35 36 F 0.75466596647791 0.26982639347061 0.70448406114879 18.998 > 35 37 F 0.25466596647791 0.23017360652939 0.20448406114879 18.998 > 37 38 F 0.75466596647791 0.23017360652939 0.20448406114879 18.998 > 37 39 F 0.24533403352209 0.73017360652939 0.29551593885121 18.998 > 39 40 F 0.74533403352209 0.73017360652939 0.29551593885121 18.998 > 39 41 F 0.30896510083827 0.57401738846196 0.87222170040868 18.998 > 41 42 F 0.80896510083827 0.57401738846196 0.87222170040868 18.998 > 41 43 F 0.19103489916173 0.07401738846196 0.62777829959132 18.998 > 43 44 F 0.69103489916173 0.07401738846196 0.62777829959132 18.998 > 43 45 F 0.19103489916173 0.42598261153804 0.12777829959132 18.998 > 45 46 F 0.69103489916173 0.42598261153804 0.12777829959132 18.998 > 45 47 F 0.30896510083827 0.92598261153804 0.37222170040868 18.998 > 47 48 F 0.80896510083827 0.92598261153804 0.37222170040868 18.998 > 47 49 F 0.00813287198095 0.89521415042039 0.09106388139585 18.998 > 49 50 F 0.50813287198096 0.89521415042039 0.09106388139585 18.998 > 49 51 F 0.49186712801904 0.39521415042039 0.40893611860415 18.998 > 51 52 F 0.99186712801904 0.39521415042039 0.40893611860415 18.998 > 51 53 F 0.49186712801904 0.10478584957961 0.90893611860415 18.998 > 53 54 F 0.99186712801904 0.10478584957961 0.90893611860415 18.998 > 53 55 F 0.00813287198095 0.60478584957961 0.59106388139585 18.998 > 55 56 F 0.50813287198096 0.60478584957961 0.59106388139585 18.998 > 55 57 Sc 0.13917245322149 0.87409626075817 0.28501074351895 44.956 > 57 58 Sc 0.63917245322149 0.87409626075817 0.28501074351895 44.956 > 57 59 Sc 0.36082754677851 0.37409626075816 0.21498925648105 44.956 > 59 60 Sc 0.86082754677851 0.37409626075816 0.21498925648105 44.956 > 59 61 Sc 0.36082754677851 0.12590373924184 0.71498925648105 44.956 > 61 62 Sc 0.86082754677851 0.12590373924184 0.71498925648105 44.956 > 61 63 Sc 0.13917245322149 0.62590373924183 0.78501074351895 44.956 > 63 64 Sc 0.63917245322149 0.62590373924183 0.78501074351895 44.956 > 63 65 Sr 0.38187011896745 0.43842960464960 0.67652612708859 87.620 > 65 66 Sr 0.88187011896745 0.43842960464960 0.67652612708859 87.620 > 65 67 Sr 0.11812988103255 0.93842960464960 0.82347387291141 87.620 > 67 68 Sr 0.61812988103255 0.93842960464960 0.82347387291141 87.620 > 67 69 Sr 0.11812988103255 0.56157039535040 0.32347387291141 87.620 > 69 70 Sr 0.61812988103255 0.56157039535040 0.32347387291141 87.620 > 69 71 Sr 0.38187011896745 0.06157039535040 0.17652612708859 87.620 > 71 72 Sr 0.88187011896745 0.06157039535040 0.17652612708859 87.620 > 71 73 Sr 0.38193995198680 0.77965115205227 0.55276463378346 87.620 > 73 74 Sr 0.88193995198680 0.77965115205227 0.55276463378346 87.620 > 73 75 Sr 0.11806004801320 0.27965115205227 0.94723536621654 87.620 > 75 76 Sr 0.61806004801320 0.27965115205227 0.94723536621654 87.620 > 75 77 Sr 0.11806004801320 0.22034884794773 0.44723536621654 87.620 > 77 78 Sr 0.61806004801320 0.22034884794773 0.44723536621654 87.620 > 77 79 Sr 0.38193995198680 0.72034884794773 0.05276463378346 87.620 > 79 80 Sr 0.88193995198680 0.72034884794773 0.05276463378346 87.620 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4888335 0.0000000 0.0096314 0.0000000 2.5040018 0.0000000 0.0096323 0.0000000 2.5073522 -------------------------- Born effective charges -------------------------- 1 F -1.0389204 -0.0926363 0.2104980 -0.0874753 -0.8232321 0.0120605 0.1927824 0.0008151 -1.7852717 2 F -1.0389204 0.0926363 0.2104980 0.0874753 -0.8232321 -0.0120605 0.1927824 -0.0008151 -1.7852717 3 F -1.0389204 -0.0926363 0.2104980 -0.0874753 -0.8232321 0.0120605 0.1927824 0.0008151 -1.7852717 4 F -1.0389204 0.0926363 0.2104980 0.0874753 -0.8232321 -0.0120605 0.1927824 -0.0008151 -1.7852717 5 F -1.2669529 -0.2137952 0.0223185 -0.2209418 -1.2959581 -0.0231831 0.0172556 -0.0485092 -1.1330452 6 F -1.2669529 0.2137952 0.0223185 0.2209418 -1.2959581 0.0231831 0.0172556 0.0485092 -1.1330452 7 F -1.2669529 -0.2137952 0.0223185 -0.2209418 -1.2959581 -0.0231831 0.0172556 -0.0485092 -1.1330452 8 F -1.2669529 0.2137952 0.0223185 0.2209418 -1.2959581 0.0231831 0.0172556 0.0485092 -1.1330452 9 F -1.0738860 0.2385567 -0.0887795 0.2047330 -1.7741590 -0.1199210 -0.0850282 -0.1449689 -0.8287977 10 F -1.0738860 -0.2385567 -0.0887795 -0.2047330 -1.7741590 0.1199210 -0.0850282 0.1449689 -0.8287977 11 F -1.0738860 0.2385567 -0.0887795 0.2047330 -1.7741590 -0.1199210 -0.0850282 -0.1449689 -0.8287977 12 F -1.0738860 -0.2385567 -0.0887795 -0.2047330 -1.7741590 0.1199210 -0.0850282 0.1449689 -0.8287977 13 F -1.1519758 0.0008425 0.1483239 0.0034577 -1.0410641 0.0563606 0.1811507 0.0536152 -1.4365781 14 F -1.1519758 -0.0008425 0.1483239 -0.0034577 -1.0410641 -0.0563606 0.1811507 -0.0536152 -1.4365781 15 F -1.1519758 0.0008425 0.1483239 0.0034577 -1.0410641 0.0563606 0.1811507 0.0536152 -1.4365781 16 F -1.1519758 -0.0008425 0.1483239 -0.0034577 -1.0410641 -0.0563606 0.1811507 -0.0536152 -1.4365781 17 F -1.1780761 -0.1336920 0.0586886 -0.1784190 -1.4503949 0.0160536 0.0461493 0.0056202 -1.0622973 18 F -1.1780761 0.1336920 0.0586886 0.1784190 -1.4503949 -0.0160536 0.0461493 -0.0056202 -1.0622973 19 F -1.1780761 -0.1336920 0.0586886 -0.1784190 -1.4503949 0.0160536 0.0461493 0.0056202 -1.0622973 20 F -1.1780761 0.1336920 0.0586886 0.1784190 -1.4503949 -0.0160536 0.0461493 -0.0056202 -1.0622973 21 F -1.4259468 0.1749002 -0.2087770 0.2003782 -1.1039875 -0.2041245 -0.2158932 -0.1925318 -1.0571467 22 F -1.4259468 -0.1749002 -0.2087770 -0.2003782 -1.1039875 0.2041245 -0.2158932 0.1925318 -1.0571467 23 F -1.4259468 0.1749002 -0.2087770 0.2003782 -1.1039875 -0.2041245 -0.2158932 -0.1925318 -1.0571467 24 F -1.4259468 -0.1749002 -0.2087770 -0.2003782 -1.1039875 0.2041245 -0.2158932 0.1925318 -1.0571467 25 F -1.2313406 0.0428528 -0.1976311 0.0183498 -1.1037231 0.0098643 -0.1914359 0.0049314 -1.2992427 26 F -1.2313406 -0.0428528 -0.1976311 -0.0183498 -1.1037231 -0.0098643 -0.1914359 -0.0049314 -1.2992427 27 F -1.2313406 0.0428528 -0.1976311 0.0183498 -1.1037231 0.0098643 -0.1914359 0.0049314 -1.2992427 28 F -1.2313406 -0.0428528 -0.1976311 -0.0183498 -1.1037231 -0.0098643 -0.1914359 -0.0049314 -1.2992427 29 Sc 3.4418939 0.0353045 0.0327019 0.0455421 3.4871771 -0.1412481 0.0244586 -0.0720151 3.4745815 30 Sc 3.4418939 -0.0353045 0.0327019 -0.0455421 3.4871771 0.1412481 0.0244586 0.0720151 3.4745815 31 Sc 3.4418939 0.0353045 0.0327019 0.0455421 3.4871771 -0.1412481 0.0244586 -0.0720151 3.4745815 32 Sc 3.4418939 -0.0353045 0.0327019 -0.0455421 3.4871771 0.1412481 0.0244586 0.0720151 3.4745815 33 Sr 2.3589799 -0.0314717 -0.0307918 0.0297254 2.6890039 0.1019678 0.0286126 0.0214239 2.5362657 34 Sr 2.3589799 0.0314717 -0.0307918 -0.0297254 2.6890039 -0.1019678 0.0286126 -0.0214239 2.5362657 35 Sr 2.3589799 -0.0314717 -0.0307918 0.0297254 2.6890039 0.1019678 0.0286126 0.0214239 2.5362657 36 Sr 2.3589799 0.0314717 -0.0307918 -0.0297254 2.6890039 -0.1019678 0.0286126 -0.0214239 2.5362657 37 Sr 2.5662247 -0.0663410 0.0534485 -0.0038849 2.4163379 -0.1327877 0.0019480 -0.2015035 2.5915322 38 Sr 2.5662247 0.0663410 0.0534485 0.0038849 2.4163379 0.1327877 0.0019480 0.2015035 2.5915322 39 Sr 2.5662247 -0.0663410 0.0534485 -0.0038849 2.4163379 -0.1327877 0.0019480 -0.2015035 2.5915322 40 Sr 2.5662247 0.0663410 0.0534485 0.0038849 2.4163379 0.1327877 0.0019480 0.2015035 2.5915322 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.842 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.729 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.217 ( 0.000 0.000 0.000) 0.000 8.428 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.181 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.292 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 10.067 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.225 ( 0.000 0.000 0.000) 0.000 10.313 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.745 ( 0.000 0.000 0.000) 0.000 10.835 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.900 ( 0.000 0.000 0.000) 0.000 11.224 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 11.597 ( 0.000 0.000 0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 11.999 ( 0.000 0.000 0.000) 0.000 12.102 ( 0.000 0.000 0.000) 0.000 12.260 ( 0.000 0.000 0.000) 0.000 12.414 ( 0.000 0.000 0.000) 0.000 12.826 ( 0.000 0.000 0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 13.392 ( 0.000 0.000 0.000) 0.000 14.084 ( 0.000 0.000 0.000) 0.000 14.204 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 14.755 ( 0.000 0.000 0.000) 0.000 15.281 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 30.442 0.000 1.370) 30.473 0.639 ( 30.916 0.000 3.919) 31.164 0.980 ( 46.013 0.000 -4.043) 46.190 1.930 ( -14.050 0.000 4.653) 14.800 2.236 ( 4.635 0.000 -0.187) 4.639 2.412 ( -5.577 0.000 4.353) 7.074 2.496 ( -4.910 0.000 -1.739) 5.209 2.505 ( 3.114 0.000 -0.357) 3.134 2.546 ( 3.404 0.000 -0.879) 3.515 2.738 ( 4.252 0.000 -3.525) 5.523 3.029 ( -6.969 0.000 1.179) 7.068 3.043 ( -0.948 0.000 -10.944) 10.985 3.149 ( -5.347 0.000 -2.278) 5.812 3.158 ( 0.807 0.000 4.050) 4.130 3.299 ( -1.742 0.000 2.190) 2.798 3.344 ( 1.425 0.000 3.690) 3.956 3.464 ( -1.018 0.000 3.975) 4.103 3.468 ( -3.669 0.000 7.503) 8.352 3.563 ( -1.367 0.000 -3.033) 3.327 3.642 ( 3.789 0.000 -2.632) 4.613 3.769 ( 2.540 0.000 -9.574) 9.905 3.786 ( 0.590 0.000 -9.695) 9.713 3.898 ( 2.496 0.000 4.302) 4.973 3.917 ( 7.857 0.000 0.316) 7.863 3.941 ( -0.500 0.000 -1.420) 1.506 4.074 ( -6.815 0.000 -2.603) 7.295 4.177 ( -5.256 0.000 3.845) 6.513 4.184 ( -4.564 0.000 0.618) 4.606 4.501 ( 3.469 0.000 -3.254) 4.756 4.511 ( 0.377 0.000 -1.330) 1.382 4.627 ( 5.569 0.000 4.314) 7.044 4.709 ( 1.534 0.000 1.218) 1.959 4.719 ( -3.170 0.000 -4.807) 5.758 4.783 ( 3.063 0.000 -1.730) 3.517 4.900 ( 6.469 0.000 -0.235) 6.473 5.043 ( 3.135 0.000 4.329) 5.345 5.079 ( 2.920 0.000 0.230) 2.929 5.091 ( 5.242 0.000 -12.460) 13.518 5.119 ( 1.512 0.000 9.383) 9.504 5.212 ( 0.582 0.000 0.236) 0.628 5.261 ( 3.227 0.000 1.301) 3.480 5.387 ( 2.585 0.000 -0.816) 2.711 5.404 ( -7.421 0.000 0.150) 7.422 5.511 ( -0.897 0.000 -0.981) 1.329 5.588 ( -0.843 0.000 -0.790) 1.156 5.588 ( 2.688 0.000 -4.165) 4.957 5.646 ( 1.239 0.000 7.208) 7.313 5.688 ( 5.377 0.000 -4.710) 7.148 5.875 ( 1.986 0.000 1.627) 2.568 5.968 ( 3.487 0.000 3.394) 4.866 6.007 ( 2.297 0.000 0.058) 2.297 6.097 ( 3.979 0.000 1.467) 4.241 6.098 ( 2.981 0.000 -0.586) 3.038 6.193 ( 1.327 0.000 0.277) 1.356 6.263 ( 4.535 0.000 7.304) 8.597 6.448 ( 0.061 0.000 0.108) 0.124 6.460 ( 9.215 0.000 1.443) 9.327 6.503 ( 1.240 0.000 3.027) 3.271 6.695 ( -4.173 0.000 -1.119) 4.321 6.772 ( 0.414 0.000 5.069) 5.086 7.011 ( -1.479 0.000 -7.298) 7.447 7.140 ( 3.769 0.000 4.298) 5.717 7.496 ( 1.974 0.000 -2.491) 3.178 7.535 ( -0.765 0.000 -1.510) 1.693 7.724 ( 4.111 0.000 0.852) 4.198 7.741 ( 1.078 0.000 -0.669) 1.269 7.907 ( 3.846 0.000 0.119) 3.848 7.991 ( 4.202 0.000 0.078) 4.203 8.212 ( -0.932 0.000 -1.671) 1.913 8.226 ( 3.660 0.000 1.054) 3.808 8.431 ( 0.275 0.000 2.278) 2.295 8.514 ( 4.263 0.000 -5.108) 6.653 8.606 ( 2.158 0.000 4.006) 4.551 8.748 ( 0.658 0.000 -4.348) 4.397 8.750 ( -1.058 0.000 -2.070) 2.325 8.898 ( 2.841 0.000 1.563) 3.243 9.008 ( -1.716 0.000 -6.154) 6.389 9.109 ( -2.065 0.000 -3.360) 3.943 9.203 ( -1.542 0.000 0.047) 1.543 9.247 ( 3.948 0.000 4.918) 6.306 9.284 ( -0.612 0.000 0.353) 0.707 9.502 ( 3.022 0.000 -1.996) 3.622 9.630 ( 0.270 0.000 3.750) 3.759 9.827 ( 0.547 0.000 1.529) 1.623 9.866 ( -3.355 0.000 -8.556) 9.190 10.027 ( -2.179 0.000 -2.592) 3.386 10.120 ( -1.881 0.000 9.804) 9.982 10.171 ( -0.031 0.000 6.552) 6.552 10.177 ( -2.358 0.000 -2.308) 3.300 10.251 ( 2.311 0.000 -0.362) 2.339 10.265 ( 2.194 0.000 2.555) 3.367 10.310 ( -0.151 0.000 -1.019) 1.030 10.481 ( -3.657 0.000 -6.800) 7.721 10.510 ( 0.043 0.000 0.359) 0.362 10.553 ( 0.455 0.000 -1.574) 1.638 10.611 ( -1.760 0.000 -2.841) 3.342 10.737 ( -1.287 0.000 -0.380) 1.342 10.825 ( -3.442 0.000 0.912) 3.561 10.866 ( 0.397 0.000 5.280) 5.295 10.918 ( 0.720 0.000 -2.001) 2.127 11.237 ( -9.086 0.000 -4.576) 10.173 11.309 ( 0.667 0.000 5.751) 5.790 11.540 ( -3.149 0.000 -6.017) 6.791 11.548 ( 2.706 0.000 6.790) 7.309 11.620 ( -4.509 0.000 0.258) 4.517 11.879 ( -5.951 0.000 17.644) 18.621 11.901 ( 9.574 0.000 1.078) 9.635 12.055 ( -2.075 0.000 10.902) 11.098 12.219 ( 10.102 0.000 -4.155) 10.923 12.414 ( 13.027 0.000 9.835) 16.323 12.805 ( -1.242 0.000 4.893) 5.048 13.253 ( -6.434 0.000 2.031) 6.747 13.332 ( -5.794 0.000 4.847) 7.554 13.961 ( -0.591 0.000 -22.124) 22.132 14.173 ( -5.610 0.000 -9.860) 11.344 14.211 ( -1.082 0.000 5.849) 5.948 14.242 ( 0.783 0.000 0.286) 0.834 14.659 ( -8.564 0.000 -0.224) 8.567 15.121 ( -2.302 0.000 -18.849) 18.989 15.168 ( -9.913 0.000 6.635) 11.929 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 27.680 0.000 0.401) 27.683 1.261 ( 29.456 0.000 4.298) 29.768 1.630 ( -13.006 0.000 3.638) 13.505 1.834 ( 34.862 0.000 -5.043) 35.225 2.156 ( -12.431 0.000 -3.933) 13.039 2.205 ( -13.147 0.000 4.789) 13.992 2.496 ( 6.774 0.000 1.036) 6.853 2.617 ( 7.503 0.000 3.730) 8.379 2.645 ( 6.009 0.000 -2.937) 6.689 2.835 ( -11.934 0.000 1.642) 12.046 2.884 ( 9.377 0.000 -5.142) 10.694 2.972 ( -9.154 0.000 -2.384) 9.459 3.069 ( 3.165 0.000 -7.866) 8.479 3.192 ( 3.569 0.000 4.855) 6.026 3.313 ( 0.417 0.000 4.095) 4.116 3.314 ( -3.652 0.000 0.222) 3.659 3.383 ( -5.731 0.000 2.905) 6.425 3.481 ( 3.345 0.000 9.936) 10.484 3.509 ( -4.660 0.000 -3.472) 5.811 3.667 ( -1.793 0.000 -5.243) 5.541 3.738 ( -7.588 0.000 -7.879) 10.939 3.812 ( 2.127 0.000 -5.380) 5.785 3.876 ( -2.677 0.000 1.891) 3.278 3.882 ( -10.459 0.000 0.185) 10.461 4.030 ( -1.993 0.000 3.734) 4.232 4.037 ( 8.630 0.000 -5.410) 10.185 4.112 ( 2.781 0.000 2.516) 3.750 4.139 ( 0.563 0.000 3.134) 3.184 4.516 ( -2.917 0.000 2.548) 3.873 4.526 ( 1.258 0.000 3.996) 4.189 4.649 ( -3.336 0.000 -2.850) 4.387 4.714 ( -0.751 0.000 -2.363) 2.480 4.745 ( 5.071 0.000 -3.401) 6.106 4.908 ( 4.761 0.000 -3.794) 6.088 5.005 ( -1.930 0.000 -1.652) 2.541 5.038 ( 6.097 0.000 -0.699) 6.137 5.135 ( 0.945 0.000 0.801) 1.239 5.159 ( 0.606 0.000 0.780) 0.988 5.200 ( 4.433 0.000 -2.221) 4.958 5.252 ( 0.918 0.000 0.893) 1.281 5.295 ( -2.564 0.000 4.895) 5.526 5.353 ( 5.792 0.000 2.303) 6.233 5.428 ( 2.827 0.000 -1.759) 3.330 5.513 ( 1.899 0.000 -1.611) 2.490 5.585 ( 0.882 0.000 1.078) 1.392 5.655 ( 1.626 0.000 2.860) 3.290 5.718 ( 7.847 0.000 1.607) 8.010 5.826 ( 7.178 0.000 -4.538) 8.492 5.902 ( 0.112 0.000 0.459) 0.472 5.997 ( -2.085 0.000 2.734) 3.438 6.086 ( 7.292 0.000 5.677) 9.242 6.150 ( 0.940 0.000 -0.421) 1.030 6.172 ( 3.535 0.000 -5.152) 6.248 6.258 ( 5.405 0.000 1.335) 5.568 6.327 ( -0.060 0.000 -1.135) 1.137 6.493 ( 4.933 0.000 1.837) 5.264 6.577 ( 6.232 0.000 0.669) 6.268 6.695 ( 8.237 0.000 -0.758) 8.272 6.711 ( 10.184 0.000 2.452) 10.475 6.774 ( -0.350 0.000 -2.932) 2.952 7.012 ( 1.983 0.000 -0.380) 2.019 7.229 ( 4.890 0.000 8.617) 9.908 7.552 ( 2.900 0.000 -2.091) 3.575 7.555 ( 3.676 0.000 -2.777) 4.607 7.765 ( 1.231 0.000 -0.507) 1.332 7.830 ( 6.659 0.000 0.441) 6.674 7.999 ( 4.536 0.000 -3.327) 5.625 8.084 ( 4.970 0.000 3.908) 6.323 8.209 ( 0.863 0.000 1.468) 1.703 8.364 ( 9.308 0.000 -0.267) 9.312 8.438 ( 0.409 0.000 0.066) 0.414 8.606 ( 3.960 0.000 -3.584) 5.341 8.612 ( -0.766 0.000 1.970) 2.114 8.774 ( 2.001 0.000 -7.832) 8.083 8.783 ( 1.992 0.000 -0.289) 2.013 8.974 ( 4.954 0.000 1.732) 5.248 9.016 ( 3.637 0.000 2.348) 4.330 9.087 ( -0.744 0.000 -2.690) 2.791 9.180 ( 1.690 0.000 0.862) 1.897 9.262 ( -0.896 0.000 -3.946) 4.046 9.355 ( 5.843 0.000 5.444) 7.986 9.576 ( 3.588 0.000 -2.402) 4.318 9.621 ( -1.053 0.000 5.702) 5.799 9.773 ( -5.143 0.000 -7.287) 8.919 9.837 ( 0.290 0.000 0.502) 0.580 9.986 ( -2.513 0.000 1.984) 3.201 10.044 ( -4.767 0.000 4.304) 6.422 10.102 ( -5.127 0.000 -1.453) 5.329 10.172 ( -3.128 0.000 5.418) 6.256 10.249 ( -2.825 0.000 -0.819) 2.942 10.258 ( -0.534 0.000 0.785) 0.949 10.324 ( 1.017 0.000 0.562) 1.162 10.427 ( 0.144 0.000 -3.245) 3.248 10.551 ( -1.180 0.000 -0.530) 1.294 10.561 ( 3.487 0.000 1.842) 3.944 10.570 ( -1.486 0.000 -2.735) 3.113 10.667 ( -4.334 0.000 0.877) 4.422 10.777 ( -1.017 0.000 1.292) 1.645 10.874 ( -0.024 0.000 2.574) 2.574 10.928 ( 0.397 0.000 -2.226) 2.261 11.057 ( -8.002 0.000 -4.279) 9.075 11.298 ( -3.160 0.000 1.668) 3.573 11.442 ( -5.990 0.000 -7.788) 9.825 11.493 ( -8.390 0.000 1.125) 8.465 11.574 ( 1.288 0.000 4.724) 4.897 11.786 ( -3.407 0.000 12.756) 13.203 12.003 ( -2.216 0.000 -1.385) 2.614 12.115 ( 10.007 0.000 -2.624) 10.345 12.440 ( 9.576 0.000 -7.067) 11.901 12.615 ( 3.375 0.000 -1.163) 3.569 12.884 ( 10.846 0.000 15.551) 18.960 13.084 ( -8.698 0.000 7.143) 11.255 13.169 ( -9.748 0.000 8.503) 12.936 13.929 ( -2.541 0.000 -11.904) 12.172 13.976 ( -12.812 0.000 -9.442) 15.915 14.203 ( -0.089 0.000 1.226) 1.230 14.263 ( 1.053 0.000 -0.045) 1.054 14.461 ( -9.274 0.000 -0.019) 9.274 14.886 ( -14.316 0.000 -2.506) 14.534 15.082 ( -2.801 0.000 -4.751) 5.515 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -5.380 0.000 -2.358) 5.874 1.732 ( -5.673 0.000 0.761) 5.723 1.812 ( 22.736 0.000 1.909) 22.816 1.893 ( 15.808 0.000 0.142) 15.809 1.929 ( -11.812 0.000 3.693) 12.376 2.454 ( 18.969 0.000 -5.439) 19.733 2.589 ( -9.740 0.000 8.248) 12.764 2.642 ( 7.255 0.000 -3.644) 8.119 2.785 ( 4.749 0.000 -3.792) 6.077 2.795 ( 8.143 0.000 -0.393) 8.152 2.844 ( -0.181 0.000 3.157) 3.162 3.048 ( 4.681 0.000 -6.561) 8.060 3.158 ( 5.168 0.000 -4.338) 6.748 3.209 ( -10.287 0.000 -2.664) 10.626 3.233 ( -3.203 0.000 1.436) 3.510 3.294 ( -3.931 0.000 7.715) 8.659 3.339 ( -11.519 0.000 -1.308) 11.593 3.349 ( 11.206 0.000 6.483) 12.946 3.462 ( -11.681 0.000 -8.795) 14.622 3.522 ( -1.795 0.000 6.067) 6.327 3.638 ( -8.602 0.000 -0.260) 8.606 3.661 ( -0.387 0.000 -5.869) 5.882 3.882 ( 0.373 0.000 -0.167) 0.408 3.916 ( 2.468 0.000 1.910) 3.121 3.949 ( -0.048 0.000 3.692) 3.692 4.157 ( 1.327 0.000 0.846) 1.574 4.173 ( 3.669 0.000 -2.311) 4.336 4.185 ( 1.489 0.000 0.266) 1.513 4.407 ( -5.973 0.000 6.109) 8.544 4.518 ( -4.271 0.000 7.349) 8.500 4.601 ( 0.529 0.000 -2.640) 2.693 4.603 ( -11.846 0.000 -4.884) 12.813 4.827 ( -1.389 0.000 -6.470) 6.618 4.862 ( 6.645 0.000 -3.464) 7.493 5.103 ( -2.464 0.000 -4.963) 5.541 5.134 ( 2.646 0.000 2.637) 3.735 5.165 ( 2.184 0.000 -7.868) 8.166 5.177 ( 4.013 0.000 1.047) 4.147 5.234 ( -0.936 0.000 -0.656) 1.143 5.266 ( 2.385 0.000 9.462) 9.758 5.278 ( 3.990 0.000 -2.613) 4.770 5.381 ( 0.092 0.000 -0.366) 0.377 5.538 ( 4.094 0.000 3.411) 5.329 5.618 ( 1.737 0.000 1.878) 2.559 5.623 ( 3.543 0.000 0.928) 3.663 5.685 ( 3.315 0.000 -0.714) 3.391 5.830 ( -5.522 0.000 0.175) 5.525 5.893 ( 7.787 0.000 3.593) 8.576 5.961 ( 3.699 0.000 -1.539) 4.006 6.022 ( 5.540 0.000 -0.552) 5.568 6.133 ( 0.399 0.000 -0.927) 1.009 6.224 ( 1.863 0.000 2.104) 2.810 6.242 ( 3.397 0.000 -3.714) 5.034 6.310 ( 0.591 0.000 1.306) 1.434 6.379 ( 5.488 0.000 1.213) 5.621 6.569 ( 1.358 0.000 -2.592) 2.926 6.719 ( 5.752 0.000 -0.457) 5.770 6.773 ( 0.812 0.000 2.484) 2.613 6.857 ( 8.489 0.000 -0.576) 8.508 6.935 ( 7.979 0.000 2.120) 8.256 7.081 ( 3.695 0.000 0.855) 3.793 7.343 ( 5.550 0.000 5.879) 8.085 7.632 ( 3.377 0.000 -2.364) 4.122 7.677 ( 9.830 0.000 -1.166) 9.899 7.801 ( 2.395 0.000 0.977) 2.587 8.027 ( 12.846 0.000 0.339) 12.850 8.085 ( 4.303 0.000 -3.278) 5.409 8.196 ( 5.194 0.000 4.255) 6.714 8.244 ( 2.276 0.000 2.637) 3.483 8.443 ( -0.053 0.000 -2.739) 2.740 8.534 ( 4.017 0.000 1.675) 4.352 8.647 ( 6.196 0.000 -5.999) 8.625 8.658 ( 1.025 0.000 -3.928) 4.060 8.778 ( -0.818 0.000 0.056) 0.820 8.794 ( -0.358 0.000 -4.675) 4.688 9.068 ( 2.949 0.000 1.147) 3.164 9.085 ( 0.940 0.000 -1.240) 1.556 9.183 ( 11.594 0.000 3.484) 12.106 9.246 ( -0.367 0.000 -3.619) 3.637 9.298 ( 7.896 0.000 6.990) 10.545 9.473 ( 4.643 0.000 0.914) 4.732 9.542 ( -4.813 0.000 3.203) 5.781 9.654 ( -6.293 0.000 -3.381) 7.143 9.692 ( 5.708 0.000 -1.201) 5.833 9.842 ( 0.249 0.000 -2.490) 2.502 9.883 ( -7.748 0.000 4.409) 8.914 9.971 ( -2.638 0.000 4.291) 5.037 9.975 ( -5.578 0.000 -0.553) 5.605 10.027 ( -7.001 0.000 1.441) 7.147 10.210 ( -1.316 0.000 -1.095) 1.712 10.282 ( 1.373 0.000 -2.824) 3.140 10.331 ( -0.228 0.000 1.611) 1.627 10.466 ( 2.683 0.000 0.128) 2.686 10.478 ( -7.443 0.000 0.689) 7.474 10.506 ( -2.489 0.000 -1.573) 2.945 10.557 ( -0.074 0.000 0.723) 0.727 10.717 ( 3.367 0.000 3.122) 4.592 10.783 ( 2.913 0.000 1.412) 3.238 10.823 ( -5.714 0.000 -2.886) 6.401 10.940 ( 1.250 0.000 -0.255) 1.276 10.950 ( -1.663 0.000 1.130) 2.011 11.158 ( -9.223 0.000 -3.131) 9.740 11.258 ( -12.604 0.000 -1.087) 12.651 11.336 ( -4.192 0.000 -6.450) 7.692 11.661 ( 5.971 0.000 4.867) 7.704 11.733 ( -1.958 0.000 9.351) 9.554 11.949 ( -3.571 0.000 -4.111) 5.446 12.228 ( -1.124 0.000 -10.952) 11.009 12.553 ( 2.973 0.000 -2.051) 3.613 12.674 ( 4.781 0.000 -0.451) 4.802 12.932 ( -9.987 0.000 18.738) 21.233 13.020 ( 0.216 0.000 1.482) 1.498 13.111 ( 7.997 0.000 13.562) 15.744 13.682 ( -14.227 0.000 -10.140) 17.471 13.839 ( -6.032 0.000 -8.389) 10.332 14.206 ( 0.273 0.000 0.478) 0.551 14.272 ( -0.487 0.000 -1.007) 1.119 14.314 ( -5.033 0.000 -0.281) 5.041 14.655 ( -6.441 0.000 -0.785) 6.489 15.016 ( -3.393 0.000 -3.612) 4.956 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.226 0.000 -3.398) 3.405 1.499 ( -7.405 0.000 -1.064) 7.481 1.715 ( -5.967 0.000 3.023) 6.689 2.185 ( 7.955 0.000 1.264) 8.055 2.345 ( 18.475 0.000 6.872) 19.711 2.550 ( 8.284 0.000 4.891) 9.620 2.623 ( 0.348 0.000 -11.866) 11.871 2.743 ( -2.641 0.000 -3.628) 4.488 2.794 ( 4.923 0.000 0.364) 4.936 2.914 ( 2.732 0.000 -1.270) 3.013 2.917 ( -11.122 0.000 1.702) 11.251 2.979 ( -1.382 0.000 -0.163) 1.391 2.998 ( -7.569 0.000 1.215) 7.665 3.100 ( -4.210 0.000 -0.896) 4.305 3.244 ( 3.474 0.000 -4.798) 5.924 3.278 ( 4.673 0.000 -0.083) 4.673 3.282 ( -0.737 0.000 8.002) 8.036 3.324 ( -1.713 0.000 -9.368) 9.523 3.381 ( -1.584 0.000 4.450) 4.723 3.499 ( -5.704 0.000 3.111) 6.497 3.598 ( -4.673 0.000 -2.054) 5.105 3.690 ( 12.245 0.000 1.749) 12.370 3.888 ( 0.402 0.000 -0.996) 1.074 3.906 ( 1.795 0.000 0.174) 1.804 4.013 ( -0.100 0.000 6.067) 6.068 4.108 ( -9.089 0.000 -3.075) 9.595 4.164 ( -0.065 0.000 -0.543) 0.547 4.224 ( 1.254 0.000 0.804) 1.490 4.332 ( -1.302 0.000 2.249) 2.599 4.399 ( -4.169 0.000 -2.129) 4.681 4.424 ( -3.042 0.000 2.485) 3.928 4.624 ( 0.779 0.000 0.117) 0.787 4.855 ( 2.761 0.000 -5.215) 5.901 4.978 ( 2.944 0.000 1.052) 3.126 5.087 ( 1.660 0.000 -7.907) 8.079 5.154 ( -1.630 0.000 -2.894) 3.322 5.161 ( 0.334 0.000 2.323) 2.347 5.185 ( 0.066 0.000 1.763) 1.764 5.216 ( -1.218 0.000 0.440) 1.295 5.284 ( -0.309 0.000 1.125) 1.167 5.390 ( 0.526 0.000 -0.364) 0.640 5.444 ( 6.436 0.000 -0.452) 6.452 5.572 ( -0.397 0.000 2.986) 3.012 5.598 ( -4.197 0.000 2.931) 5.120 5.649 ( 1.103 0.000 -0.544) 1.230 5.731 ( 0.520 0.000 0.696) 0.869 5.763 ( 0.864 0.000 -0.630) 1.069 5.977 ( -1.103 0.000 0.538) 1.227 6.041 ( 5.092 0.000 2.048) 5.488 6.122 ( 2.213 0.000 -1.974) 2.965 6.161 ( 1.558 0.000 -2.219) 2.712 6.216 ( -0.998 0.000 0.991) 1.406 6.306 ( 2.455 0.000 -1.191) 2.728 6.336 ( 0.788 0.000 1.260) 1.486 6.460 ( 2.115 0.000 0.672) 2.220 6.562 ( -0.835 0.000 -1.503) 1.719 6.789 ( 1.097 0.000 -1.146) 1.586 6.796 ( 0.984 0.000 2.738) 2.910 6.996 ( 4.198 0.000 -0.727) 4.260 7.024 ( 1.305 0.000 1.158) 1.745 7.133 ( 1.233 0.000 0.618) 1.379 7.424 ( 1.953 0.000 1.626) 2.541 7.680 ( 1.232 0.000 -1.090) 1.645 7.846 ( 1.393 0.000 0.944) 1.683 7.912 ( 9.630 0.000 0.632) 9.651 8.178 ( 4.168 0.000 -0.729) 4.231 8.257 ( 0.176 0.000 0.995) 1.011 8.262 ( 3.220 0.000 1.767) 3.673 8.309 ( 5.539 0.000 -0.238) 5.544 8.456 ( 4.121 0.000 -1.045) 4.252 8.587 ( 2.901 0.000 1.823) 3.426 8.626 ( -4.686 0.000 -3.647) 5.938 8.662 ( -3.248 0.000 -2.172) 3.907 8.773 ( -0.999 0.000 -1.750) 2.015 8.915 ( 10.188 0.000 -5.301) 11.485 9.074 ( -1.306 0.000 2.640) 2.945 9.124 ( 1.265 0.000 -0.419) 1.333 9.233 ( -0.252 0.000 -0.708) 0.751 9.341 ( -5.284 0.000 5.538) 7.655 9.417 ( 7.437 0.000 2.899) 7.982 9.487 ( -2.585 0.000 -0.985) 2.767 9.496 ( 2.030 0.000 1.380) 2.455 9.571 ( -0.296 0.000 -2.701) 2.717 9.720 ( -5.928 0.000 3.615) 6.943 9.745 ( -1.393 0.000 -0.607) 1.520 9.891 ( 5.989 0.000 -3.524) 6.949 9.934 ( -0.277 0.000 -5.305) 5.313 9.951 ( 1.427 0.000 0.391) 1.480 9.951 ( -1.828 0.000 6.917) 7.155 10.135 ( -5.832 0.000 0.015) 5.832 10.299 ( 0.590 0.000 -0.972) 1.137 10.335 ( 0.385 0.000 2.018) 2.054 10.389 ( -0.352 0.000 0.080) 0.361 10.462 ( -0.569 0.000 -0.148) 0.588 10.528 ( 2.314 0.000 -1.097) 2.562 10.555 ( -0.596 0.000 1.198) 1.338 10.684 ( -6.067 0.000 -1.875) 6.350 10.700 ( -3.082 0.000 0.339) 3.100 10.846 ( 0.815 0.000 -0.277) 0.861 10.939 ( -0.247 0.000 1.894) 1.910 10.970 ( -2.289 0.000 2.397) 3.315 11.062 ( -4.932 0.000 -1.560) 5.172 11.069 ( 6.265 0.000 1.422) 6.424 11.237 ( -6.109 0.000 -7.301) 9.520 11.716 ( 0.081 0.000 4.129) 4.130 11.767 ( 3.026 0.000 4.031) 5.040 11.868 ( -3.099 0.000 -2.580) 4.033 12.123 ( -4.544 0.000 -8.201) 9.376 12.628 ( 3.993 0.000 -2.108) 4.515 12.737 ( -7.744 0.000 11.896) 14.194 12.805 ( 5.946 0.000 -0.669) 5.984 13.079 ( 2.813 0.000 0.795) 2.923 13.173 ( -1.175 0.000 6.563) 6.667 13.452 ( -6.631 0.000 -5.020) 8.317 13.725 ( -3.390 0.000 -3.757) 5.060 14.213 ( 0.347 0.000 0.417) 0.542 14.247 ( -1.635 0.000 -0.497) 1.709 14.252 ( -0.821 0.000 -0.628) 1.034 14.614 ( 0.476 0.000 0.020) 0.476 14.954 ( -2.025 0.000 -1.467) 2.501 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 29.321 0.000) 29.321 0.645 ( 0.000 30.992 0.000) 30.992 1.121 ( 0.000 52.457 0.000) 52.457 1.761 ( 0.000 -24.451 0.000) 24.451 1.838 ( 0.000 -24.555 0.000) 24.555 2.458 ( 0.000 0.012 0.000) 0.012 2.498 ( 0.000 -2.138 0.000) 2.138 2.669 ( 0.000 8.434 0.000) 8.434 2.715 ( 0.000 13.499 0.000) 13.499 2.868 ( 0.000 14.944 0.000) 14.944 2.932 ( 0.000 -25.700 0.000) 25.700 3.074 ( 0.000 -8.477 0.000) 8.477 3.100 ( 0.000 -7.908 0.000) 7.908 3.102 ( 0.000 3.994 0.000) 3.994 3.290 ( 0.000 -2.276 0.000) 2.276 3.349 ( 0.000 15.178 0.000) 15.178 3.360 ( 0.000 -5.568 0.000) 5.568 3.491 ( 0.000 -3.626 0.000) 3.626 3.574 ( 0.000 -8.177 0.000) 8.177 3.602 ( 0.000 4.283 0.000) 4.283 3.655 ( 0.000 6.786 0.000) 6.786 3.793 ( 0.000 0.306 0.000) 0.306 3.819 ( 0.000 -1.940 0.000) 1.940 3.869 ( 0.000 3.459 0.000) 3.459 4.049 ( 0.000 4.295 0.000) 4.295 4.078 ( 0.000 -6.300 0.000) 6.300 4.129 ( 0.000 -2.453 0.000) 2.453 4.382 ( 0.000 -4.920 0.000) 4.920 4.461 ( 0.000 -1.325 0.000) 1.325 4.496 ( 0.000 -6.180 0.000) 6.180 4.570 ( 0.000 -4.148 0.000) 4.148 4.627 ( 0.000 1.605 0.000) 1.605 4.645 ( 0.000 3.386 0.000) 3.386 4.709 ( 0.000 -3.395 0.000) 3.395 4.786 ( 0.000 0.993 0.000) 0.993 4.945 ( 0.000 -4.863 0.000) 4.863 4.948 ( 0.000 -3.480 0.000) 3.480 5.007 ( 0.000 -9.853 0.000) 9.853 5.108 ( 0.000 12.632 0.000) 12.632 5.256 ( 0.000 5.516 0.000) 5.516 5.324 ( 0.000 0.304 0.000) 0.304 5.395 ( 0.000 0.369 0.000) 0.369 5.493 ( 0.000 0.506 0.000) 0.506 5.565 ( 0.000 -1.614 0.000) 1.614 5.585 ( 0.000 1.462 0.000) 1.462 5.623 ( 0.000 -0.441 0.000) 0.441 5.707 ( 0.000 0.912 0.000) 0.912 5.760 ( 0.000 12.607 0.000) 12.607 5.795 ( 0.000 0.421 0.000) 0.421 5.865 ( 0.000 0.696 0.000) 0.696 5.915 ( 0.000 -0.246 0.000) 0.246 6.059 ( 0.000 1.136 0.000) 1.136 6.085 ( 0.000 2.009 0.000) 2.009 6.128 ( 0.000 2.678 0.000) 2.678 6.168 ( 0.000 -0.365 0.000) 0.365 6.355 ( 0.000 2.105 0.000) 2.105 6.400 ( 0.000 -8.810 0.000) 8.810 6.424 ( 0.000 -2.496 0.000) 2.496 6.790 ( 0.000 3.185 0.000) 3.185 6.954 ( 0.000 3.622 0.000) 3.622 6.997 ( 0.000 -4.520 0.000) 4.520 7.053 ( 0.000 0.669 0.000) 0.669 7.504 ( 0.000 0.952 0.000) 0.952 7.530 ( 0.000 -0.575 0.000) 0.575 7.651 ( 0.000 -1.005 0.000) 1.005 7.710 ( 0.000 -1.757 0.000) 1.757 7.924 ( 0.000 -0.518 0.000) 0.518 8.046 ( 0.000 -4.817 0.000) 4.817 8.229 ( 0.000 0.698 0.000) 0.698 8.237 ( 0.000 -0.076 0.000) 0.076 8.440 ( 0.000 0.654 0.000) 0.654 8.441 ( 0.000 -0.610 0.000) 0.610 8.683 ( 0.000 9.177 0.000) 9.177 8.769 ( 0.000 2.428 0.000) 2.428 8.854 ( 0.000 -0.252 0.000) 0.252 8.878 ( 0.000 2.636 0.000) 2.636 8.984 ( 0.000 -1.114 0.000) 1.114 9.124 ( 0.000 -6.984 0.000) 6.984 9.179 ( 0.000 0.244 0.000) 0.244 9.218 ( 0.000 -1.591 0.000) 1.591 9.267 ( 0.000 -0.327 0.000) 0.327 9.277 ( 0.000 -0.528 0.000) 0.528 9.503 ( 0.000 2.953 0.000) 2.953 9.625 ( 0.000 -0.997 0.000) 0.997 9.909 ( 0.000 -0.018 0.000) 0.018 9.940 ( 0.000 -2.356 0.000) 2.356 10.140 ( 0.000 2.553 0.000) 2.553 10.161 ( 0.000 -0.901 0.000) 0.901 10.221 ( 0.000 3.882 0.000) 3.882 10.242 ( 0.000 1.599 0.000) 1.599 10.283 ( 0.000 -0.745 0.000) 0.745 10.324 ( 0.000 1.318 0.000) 1.318 10.515 ( 0.000 0.545 0.000) 0.545 10.555 ( 0.000 1.622 0.000) 1.622 10.576 ( 0.000 -0.064 0.000) 0.064 10.674 ( 0.000 -5.643 0.000) 5.643 10.703 ( 0.000 3.884 0.000) 3.884 10.766 ( 0.000 -4.109 0.000) 4.109 10.828 ( 0.000 -5.214 0.000) 5.214 10.938 ( 0.000 0.461 0.000) 0.461 11.203 ( 0.000 -5.975 0.000) 5.975 11.276 ( 0.000 4.203 0.000) 4.203 11.345 ( 0.000 -15.000 0.000) 15.000 11.424 ( 0.000 -2.357 0.000) 2.357 11.690 ( 0.000 6.582 0.000) 6.582 11.820 ( 0.000 4.365 0.000) 4.365 11.950 ( 0.000 -4.658 0.000) 4.658 12.009 ( 0.000 -2.402 0.000) 2.402 12.425 ( 0.000 1.058 0.000) 1.058 12.443 ( 0.000 5.197 0.000) 5.197 12.964 ( 0.000 15.163 0.000) 15.163 13.124 ( 0.000 15.036 0.000) 15.036 13.292 ( 0.000 -2.952 0.000) 2.952 14.035 ( 0.000 -8.852 0.000) 8.852 14.149 ( 0.000 -0.933 0.000) 0.933 14.167 ( 0.000 -5.217 0.000) 5.217 14.271 ( 0.000 3.237 0.000) 3.237 14.556 ( 0.000 -12.585 0.000) 12.585 15.457 ( 0.000 12.046 0.000) 12.046 15.828 ( 0.000 -4.768 0.000) 4.768 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 17.538 19.220 -2.453) 26.134 0.883 ( 21.860 20.262 2.464) 29.908 1.511 ( 29.908 37.556 -0.686) 48.015 1.740 ( -4.305 -17.896 1.310) 18.453 1.895 ( 7.795 -22.078 0.423) 23.418 2.303 ( -10.773 -1.808 5.275) 12.130 2.417 ( -8.434 -4.606 0.281) 9.614 2.700 ( 2.133 9.033 0.166) 9.283 2.770 ( 2.273 12.800 -0.902) 13.032 2.875 ( 0.900 4.546 -7.225) 8.584 2.996 ( 2.750 -5.314 5.502) 8.128 3.028 ( -0.569 1.158 -8.733) 8.827 3.100 ( 0.761 -6.204 -2.926) 6.901 3.180 ( 3.275 -5.730 4.135) 7.788 3.252 ( -3.031 5.704 -0.917) 6.524 3.315 ( -1.605 -1.825 5.053) 5.607 3.422 ( -2.648 -0.134 -1.086) 2.866 3.431 ( 3.210 -9.126 3.635) 10.334 3.508 ( -0.178 -4.643 -2.538) 5.294 3.641 ( -3.117 -2.054 -3.335) 5.006 3.669 ( 1.169 5.546 -1.330) 5.821 3.763 ( -1.736 1.151 -3.765) 4.303 3.864 ( 3.263 -2.442 3.440) 5.333 3.915 ( 4.842 -1.049 6.036) 7.809 4.011 ( -6.014 -4.887 -0.206) 7.752 4.028 ( -3.950 -0.792 -1.195) 4.202 4.126 ( -0.736 3.201 -1.899) 3.795 4.331 ( -6.679 1.803 0.924) 6.980 4.417 ( 3.360 -5.860 0.813) 6.803 4.523 ( -3.391 -5.336 -3.098) 7.041 4.590 ( 2.904 1.885 1.775) 3.891 4.648 ( 4.609 -1.370 -4.666) 6.700 4.690 ( 3.679 -0.093 1.720) 4.062 4.730 ( 0.667 -3.521 -1.020) 3.726 4.848 ( 6.102 -1.607 1.117) 6.408 4.936 ( 1.443 -4.073 1.807) 4.683 5.014 ( 4.906 -3.367 -2.822) 6.585 5.089 ( 2.744 -7.532 -1.184) 8.103 5.181 ( 4.002 5.833 -1.546) 7.241 5.234 ( 1.051 2.390 -2.673) 3.737 5.326 ( 3.174 5.246 -0.357) 6.142 5.454 ( 0.780 3.691 2.057) 4.297 5.509 ( -1.706 4.533 -0.878) 4.922 5.535 ( -0.086 1.179 1.476) 1.891 5.574 ( 2.078 -0.435 -2.332) 3.154 5.629 ( 1.812 0.058 3.976) 4.370 5.701 ( -2.869 5.424 -3.195) 6.918 5.779 ( 2.427 6.849 -2.065) 7.554 5.904 ( 0.255 -0.461 5.383) 5.409 5.914 ( 7.611 -2.613 0.787) 8.085 5.975 ( 6.362 0.939 2.410) 6.868 6.088 ( 1.678 0.854 1.423) 2.360 6.093 ( 1.572 0.121 1.214) 1.990 6.192 ( 2.519 0.373 0.143) 2.550 6.263 ( 9.181 -1.124 1.036) 9.307 6.396 ( 1.597 -6.244 -2.205) 6.812 6.427 ( 5.575 -0.564 2.705) 6.223 6.450 ( 3.317 -2.464 -0.082) 4.133 6.750 ( -3.182 5.397 -0.632) 6.297 6.860 ( -4.154 4.421 6.329) 8.767 7.005 ( -1.102 -0.896 -2.056) 2.499 7.070 ( 2.785 -5.259 -0.864) 6.013 7.489 ( 0.659 0.728 -1.354) 1.672 7.580 ( 2.234 1.695 0.117) 2.807 7.683 ( 2.245 -2.203 -2.742) 4.173 7.746 ( 2.841 -0.772 -4.562) 5.429 7.922 ( 2.482 0.686 0.730) 2.676 8.057 ( 1.385 -0.349 7.083) 7.226 8.172 ( -3.048 1.620 -3.228) 4.726 8.256 ( 2.101 -0.022 1.043) 2.345 8.446 ( 2.138 1.265 3.175) 4.031 8.496 ( 3.982 -1.129 -2.483) 4.827 8.701 ( 0.513 8.545 1.015) 8.620 8.761 ( 0.271 1.682 -4.936) 5.222 8.782 ( -0.236 1.878 -3.268) 3.777 8.916 ( 1.831 1.461 1.511) 2.787 8.980 ( 0.636 -1.916 -4.565) 4.992 9.107 ( -1.012 -2.492 -2.088) 3.405 9.165 ( -2.385 -3.250 -0.204) 4.036 9.212 ( 1.268 -1.690 1.842) 2.803 9.281 ( 1.685 0.490 2.608) 3.144 9.496 ( 8.494 -8.635 1.968) 12.271 9.530 ( 1.509 -4.629 -3.300) 5.881 9.618 ( -0.146 -1.623 2.691) 3.146 9.894 ( -1.159 0.884 -1.200) 1.888 9.963 ( 1.436 -2.419 -0.208) 2.821 10.136 ( -1.152 0.793 2.924) 3.241 10.160 ( -0.361 -0.482 3.947) 3.993 10.208 ( -0.148 3.066 -0.893) 3.197 10.275 ( 0.044 -0.424 -2.422) 2.460 10.302 ( 1.536 2.946 4.318) 5.449 10.320 ( -0.350 0.605 0.975) 1.200 10.482 ( -2.997 -0.186 -2.434) 3.865 10.515 ( -2.138 1.862 -0.138) 2.839 10.554 ( -0.520 -0.027 -0.101) 0.531 10.661 ( -2.254 3.030 -4.317) 5.736 10.704 ( -0.689 -3.332 -0.234) 3.410 10.805 ( 2.817 -3.674 5.305) 7.040 10.814 ( -1.016 -2.809 0.289) 3.001 10.936 ( -0.225 0.209 -1.684) 1.712 11.158 ( -5.230 -3.543 -1.836) 6.579 11.302 ( -3.462 -7.897 0.936) 8.673 11.309 ( 3.089 -4.445 1.543) 5.629 11.498 ( 5.389 -6.667 4.415) 9.643 11.650 ( -3.397 6.624 -4.372) 8.633 11.910 ( 6.477 3.529 0.123) 7.377 11.928 ( -2.969 0.009 -0.583) 3.025 12.133 ( 10.715 -3.203 -3.469) 11.709 12.331 ( -6.202 10.101 9.059) 14.919 12.504 ( 6.518 1.915 9.460) 11.646 12.921 ( -3.774 13.612 2.147) 14.288 13.228 ( -5.775 -2.540 4.357) 7.667 13.240 ( 4.893 3.568 -3.459) 6.974 13.981 ( -5.357 -10.104 -9.813) 15.070 14.110 ( -4.659 -1.420 0.942) 4.961 14.160 ( 0.625 -2.017 0.034) 2.112 14.272 ( 0.175 2.481 -0.219) 2.497 14.499 ( -5.104 -9.883 0.329) 11.127 15.315 ( -12.769 10.237 -2.166) 16.508 15.437 ( -21.281 11.282 -5.013) 24.603 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 23.536 4.656 -0.884) 24.008 1.387 ( 25.255 11.183 2.742) 27.756 1.619 ( -5.540 -2.882 1.415) 6.403 1.961 ( -4.003 -9.233 2.010) 10.262 2.128 ( -7.055 -5.852 -0.168) 9.168 2.162 ( 20.190 17.440 -0.566) 26.685 2.259 ( 6.554 -9.195 1.273) 11.363 2.742 ( -0.635 6.540 1.508) 6.741 2.777 ( 0.084 7.035 -3.781) 7.988 2.832 ( -3.390 1.764 -1.547) 4.123 2.970 ( -9.828 0.719 -0.538) 9.869 3.043 ( 1.234 -1.887 -3.938) 4.538 3.081 ( 5.947 9.868 -3.729) 12.110 3.235 ( -0.014 3.076 4.873) 5.763 3.257 ( 1.575 2.963 -2.281) 4.058 3.296 ( 0.124 -3.107 3.960) 5.035 3.392 ( 4.094 -3.209 1.721) 5.479 3.515 ( -2.808 -0.925 3.604) 4.662 3.528 ( -0.316 2.741 -0.395) 2.787 3.649 ( 8.377 -12.752 -1.646) 15.346 3.677 ( -4.404 -3.590 -6.074) 8.318 3.727 ( -1.772 2.861 -2.609) 4.258 3.818 ( -4.871 -1.958 1.188) 5.383 3.863 ( -6.212 -4.745 3.096) 8.408 3.935 ( -1.887 -2.511 -2.389) 3.946 4.025 ( 2.094 -2.963 4.057) 5.442 4.099 ( -2.556 1.636 0.006) 3.035 4.210 ( -3.333 1.663 0.283) 3.736 4.446 ( -0.357 -6.364 3.137) 7.104 4.526 ( 2.706 -1.502 -1.152) 3.303 4.611 ( -1.565 -0.035 1.177) 1.958 4.705 ( -1.583 -2.490 -3.205) 4.356 4.724 ( 2.109 -1.069 -4.373) 4.971 4.805 ( 6.354 -6.735 0.167) 9.261 4.910 ( -1.188 -0.649 -1.249) 1.842 5.045 ( 1.823 -2.931 0.060) 3.452 5.109 ( 7.189 0.284 0.580) 7.218 5.145 ( 6.127 -2.477 -4.312) 7.892 5.248 ( 3.254 1.738 0.968) 3.814 5.255 ( -1.046 0.736 0.429) 1.349 5.426 ( -1.722 3.382 1.091) 3.949 5.439 ( 3.784 3.637 -2.464) 5.798 5.447 ( -0.546 7.429 -0.187) 7.452 5.540 ( 1.209 2.750 -1.682) 3.443 5.623 ( -2.385 4.054 2.912) 5.532 5.670 ( 1.837 0.858 1.469) 2.504 5.733 ( 9.104 0.528 2.370) 9.422 5.856 ( 2.775 0.647 -0.775) 2.953 5.887 ( 0.294 -0.249 1.120) 1.185 6.049 ( 6.462 -3.511 3.448) 8.122 6.062 ( 1.996 6.446 1.919) 7.016 6.142 ( 1.050 -0.387 -0.679) 1.309 6.148 ( 5.218 -1.903 -2.773) 6.208 6.272 ( 4.565 3.368 -0.115) 5.674 6.373 ( -0.051 0.856 -0.635) 1.067 6.458 ( 6.885 -3.253 1.111) 7.695 6.553 ( 7.312 -1.971 0.618) 7.598 6.625 ( 8.707 -5.212 0.538) 10.162 6.746 ( 4.243 3.996 -0.411) 5.844 6.816 ( 0.661 2.225 1.124) 2.579 7.014 ( 2.934 0.505 0.008) 2.977 7.158 ( 5.298 -5.532 4.643) 8.957 7.527 ( 3.365 0.849 -1.547) 3.800 7.633 ( 3.366 4.002 -2.033) 5.611 7.735 ( 3.688 -6.102 -2.048) 7.419 7.795 ( 1.874 0.488 -3.450) 3.956 8.041 ( 7.691 2.160 2.493) 8.369 8.100 ( 2.586 0.678 5.019) 5.687 8.148 ( 0.586 -1.967 1.146) 2.351 8.308 ( 2.938 -3.985 -0.317) 4.961 8.519 ( 4.381 2.678 -0.455) 5.155 8.597 ( 5.644 -1.471 1.676) 6.069 8.673 ( -1.847 7.819 0.619) 8.058 8.794 ( 1.879 1.604 -6.310) 6.777 8.808 ( 1.550 2.069 -3.839) 4.628 8.993 ( 3.475 0.011 -0.981) 3.610 9.030 ( 4.737 1.255 1.542) 5.137 9.085 ( -2.386 0.024 -2.771) 3.657 9.139 ( 4.077 -2.466 0.723) 4.819 9.255 ( 2.501 -2.112 -2.980) 4.427 9.335 ( 4.218 -0.185 4.806) 6.398 9.532 ( -0.049 -7.699 -3.243) 8.354 9.619 ( -0.301 -0.491 4.155) 4.195 9.631 ( 5.158 -4.121 0.262) 6.607 9.860 ( -2.314 1.664 0.119) 2.853 9.965 ( -2.017 -1.282 -3.560) 4.287 10.071 ( -4.498 1.881 2.994) 5.721 10.142 ( -1.752 -0.273 5.899) 6.160 10.199 ( -4.222 3.544 1.718) 5.774 10.250 ( -2.324 0.265 -0.790) 2.469 10.276 ( -0.981 1.363 0.880) 1.896 10.316 ( -0.183 -0.784 0.532) 0.965 10.423 ( -1.492 -0.778 -3.126) 3.550 10.488 ( -1.158 -4.232 0.106) 4.388 10.573 ( 1.183 2.017 0.803) 2.473 10.612 ( -2.105 1.282 0.054) 2.466 10.680 ( 0.053 3.004 -1.150) 3.217 10.788 ( -1.410 -1.011 0.023) 1.735 10.866 ( 3.004 -1.076 4.409) 5.442 10.928 ( -0.496 -0.392 -3.150) 3.213 11.012 ( -8.093 -1.295 -3.608) 8.955 11.209 ( -5.450 -9.049 -3.481) 11.123 11.386 ( 2.818 0.803 3.227) 4.359 11.562 ( -4.163 5.502 -2.514) 7.343 11.586 ( 2.433 -5.566 2.538) 6.584 11.817 ( -5.635 0.497 2.904) 6.359 12.041 ( 1.308 10.006 1.419) 10.191 12.194 ( -2.319 4.950 -0.382) 5.479 12.380 ( 8.880 -4.576 -7.437) 12.454 12.651 ( 4.775 -4.775 7.522) 10.109 12.848 ( -1.862 5.765 6.387) 8.803 13.079 ( -7.579 -1.152 9.500) 12.207 13.251 ( -2.681 6.559 4.347) 8.313 13.800 ( -11.721 -13.319 -9.446) 20.100 14.017 ( -3.963 4.008 -4.807) 7.408 14.166 ( -0.170 -2.968 -0.305) 2.988 14.279 ( 0.455 1.309 -0.265) 1.411 14.381 ( -5.518 -4.529 0.003) 7.138 15.008 ( -14.902 8.571 -2.878) 17.430 15.145 ( -8.877 3.523 -4.115) 10.400 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -4.145 5.739 -2.267) 7.434 1.710 ( -9.117 -2.274 1.169) 9.469 1.779 ( 22.025 -2.651 -0.262) 22.185 1.863 ( -3.259 -3.735 3.420) 6.022 1.985 ( 15.348 7.075 3.255) 17.211 2.447 ( 7.853 -6.402 4.733) 11.183 2.543 ( 2.984 -2.535 -4.739) 6.147 2.624 ( 0.547 0.212 -3.326) 3.377 2.770 ( 0.329 3.782 1.664) 4.145 2.838 ( -1.601 1.170 -9.316) 9.525 2.912 ( 5.573 4.910 4.040) 8.455 3.039 ( -2.862 -3.087 1.251) 4.392 3.182 ( 2.628 4.082 -5.262) 7.160 3.215 ( 1.189 6.431 -1.093) 6.631 3.293 ( -0.364 2.017 4.281) 4.746 3.352 ( -0.349 3.035 -0.554) 3.105 3.385 ( -2.347 3.131 5.046) 6.386 3.421 ( -8.953 4.700 -0.203) 10.114 3.445 ( -5.194 -1.940 -7.559) 9.374 3.537 ( -4.846 2.884 3.278) 6.523 3.668 ( -2.153 3.657 1.395) 4.467 3.705 ( 0.089 4.024 -2.228) 4.600 3.794 ( 2.757 -6.490 -0.133) 7.053 3.864 ( 0.741 -9.464 1.120) 9.559 3.943 ( -1.135 -1.848 -0.514) 2.229 4.009 ( 4.049 -5.353 2.117) 7.038 4.119 ( 2.221 -4.826 1.929) 5.651 4.182 ( -0.215 -3.842 0.432) 3.872 4.420 ( -2.300 2.118 4.324) 5.336 4.549 ( -4.610 1.505 0.103) 4.851 4.586 ( 3.818 -1.458 0.644) 4.138 4.632 ( -6.108 2.117 -4.752) 8.023 4.724 ( -0.464 -7.727 -0.821) 7.784 4.854 ( -1.344 2.564 -5.944) 6.612 4.955 ( 6.384 -9.845 -0.816) 11.762 5.048 ( -0.181 -4.767 -0.090) 4.771 5.110 ( -4.638 0.632 -1.193) 4.830 5.279 ( 1.080 1.138 5.367) 5.592 5.304 ( 5.056 4.692 -0.474) 6.914 5.333 ( 7.397 3.496 -2.459) 8.543 5.385 ( -0.329 0.765 1.148) 1.418 5.423 ( -1.376 0.467 -3.598) 3.880 5.482 ( 0.261 4.810 1.567) 5.066 5.604 ( 2.393 -0.837 0.477) 2.580 5.651 ( 2.622 1.520 -0.849) 3.147 5.666 ( -1.731 -0.637 -0.697) 1.972 5.860 ( 3.899 1.127 1.617) 4.369 5.900 ( 4.318 2.030 1.913) 5.141 5.997 ( 6.658 1.207 -0.522) 6.786 6.091 ( 1.407 4.759 2.110) 5.393 6.131 ( -0.158 -1.358 -0.854) 1.612 6.191 ( 3.165 0.738 2.315) 3.989 6.231 ( 3.030 -4.229 -0.918) 5.282 6.301 ( 0.455 3.466 -1.980) 4.018 6.404 ( 2.987 0.155 0.632) 3.057 6.539 ( -0.691 -3.863 -1.445) 4.182 6.703 ( 3.124 -3.926 1.411) 5.212 6.710 ( 6.213 -1.064 0.436) 6.318 6.895 ( 8.338 2.694 -0.066) 8.763 6.944 ( 8.019 0.574 1.668) 8.211 7.098 ( 4.091 1.894 1.143) 4.651 7.275 ( 5.380 -5.415 3.789) 8.521 7.641 ( 6.833 1.732 -1.461) 7.199 7.724 ( 6.829 3.776 -1.372) 7.923 7.816 ( 2.117 -0.797 -0.921) 2.442 7.893 ( 10.396 -6.556 -0.863) 12.321 8.159 ( 2.842 1.069 1.221) 3.272 8.183 ( 3.098 -3.764 5.286) 7.191 8.198 ( 6.299 1.579 0.386) 6.505 8.370 ( 2.778 -5.267 -2.188) 6.344 8.596 ( 2.576 2.075 -2.999) 4.465 8.623 ( -0.764 3.070 1.288) 3.416 8.740 ( 3.625 2.957 -0.505) 4.705 8.783 ( -2.644 0.553 -0.610) 2.770 8.836 ( 3.685 2.873 -4.407) 6.423 9.039 ( 1.387 -4.335 -0.915) 4.643 9.089 ( 2.045 0.805 -2.329) 3.202 9.114 ( 3.666 -3.180 0.630) 4.894 9.273 ( 3.921 4.011 -0.425) 5.626 9.357 ( 9.366 2.207 -0.264) 9.626 9.441 ( 4.415 -1.678 1.537) 4.967 9.548 ( 1.938 -6.115 -0.674) 6.450 9.601 ( -1.055 2.365 4.534) 5.221 9.705 ( 1.202 1.231 -2.145) 2.749 9.801 ( -2.152 -2.334 4.059) 5.153 9.871 ( -5.920 -1.181 -2.920) 6.706 9.983 ( -6.599 2.322 2.817) 7.541 10.023 ( -6.765 2.206 -0.063) 7.116 10.094 ( -3.268 3.608 3.372) 5.922 10.213 ( -1.457 0.884 -0.726) 1.852 10.288 ( 0.628 -1.385 -1.043) 1.844 10.316 ( 0.171 -1.625 1.058) 1.946 10.412 ( 0.601 -1.849 0.889) 2.137 10.492 ( 1.007 -3.075 0.066) 3.236 10.537 ( -2.387 3.782 -0.931) 4.568 10.584 ( -0.943 5.286 1.047) 5.471 10.725 ( 0.756 0.297 1.640) 1.830 10.781 ( 1.762 -2.122 -0.322) 2.777 10.844 ( -6.648 1.740 -2.271) 7.238 10.908 ( -0.594 0.366 -2.992) 3.072 10.948 ( 3.720 0.063 3.270) 4.953 11.078 ( -6.927 -6.595 -6.197) 11.396 11.328 ( -6.937 12.405 -3.164) 14.561 11.566 ( -2.843 5.122 -4.081) 7.140 11.587 ( 3.943 -4.032 8.482) 10.186 11.727 ( -3.223 -2.152 4.187) 5.706 11.944 ( -6.309 4.864 1.782) 8.163 12.185 ( -3.160 -2.641 -9.027) 9.922 12.459 ( 0.101 -5.475 -3.365) 6.427 12.664 ( -2.430 -5.058 3.304) 6.512 12.900 ( 6.078 -4.892 4.887) 9.206 12.950 ( -5.191 -1.262 14.644) 15.588 13.200 ( -1.645 6.394 3.707) 7.572 13.540 ( -12.647 -9.258 -5.650) 16.661 13.942 ( -3.160 6.104 -5.776) 8.978 14.156 ( -0.546 -4.317 -0.994) 4.464 14.281 ( -0.684 0.566 -0.787) 1.187 14.294 ( -2.688 -0.678 -0.369) 2.797 14.774 ( -6.936 9.054 -1.410) 11.492 15.015 ( -4.471 -0.922 -3.214) 5.583 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -1.339 3.187 -1.999) 3.993 1.506 ( -7.710 -0.441 0.159) 7.724 1.792 ( -0.083 7.596 1.206) 7.691 2.170 ( 12.407 -2.704 0.484) 12.708 2.376 ( 10.402 0.491 4.014) 11.161 2.392 ( -0.144 -6.785 7.439) 10.069 2.593 ( 3.700 -2.584 -8.556) 9.673 2.736 ( 1.713 -4.089 -2.379) 5.032 2.765 ( -2.238 1.237 -5.066) 5.675 2.859 ( 2.882 -2.309 -4.159) 5.562 2.941 ( -4.148 -2.004 3.800) 5.971 2.969 ( -0.075 -1.354 2.882) 3.186 3.141 ( -6.355 10.217 -0.529) 12.044 3.148 ( -4.909 4.459 -0.114) 6.633 3.255 ( 0.819 0.724 -0.993) 1.477 3.287 ( -2.588 0.600 5.562) 6.164 3.326 ( -4.163 0.003 -5.527) 6.919 3.345 ( 2.912 5.306 -0.575) 6.080 3.434 ( -3.756 2.189 5.176) 6.759 3.471 ( 2.624 -0.556 -0.102) 2.684 3.614 ( -2.619 7.143 -4.069) 8.628 3.775 ( -0.014 0.653 -0.250) 0.699 3.846 ( 0.091 -3.101 -0.741) 3.189 3.880 ( 8.837 3.697 1.616) 9.714 3.955 ( 1.610 -14.547 2.439) 14.838 4.034 ( -1.994 -0.613 0.004) 2.087 4.127 ( -4.891 0.730 0.316) 4.956 4.245 ( 6.840 -2.399 1.981) 7.514 4.373 ( -2.044 3.239 2.796) 4.742 4.421 ( -6.327 3.168 -1.555) 7.245 4.537 ( -1.820 7.736 -1.203) 8.037 4.663 ( 2.076 0.970 2.936) 3.724 4.755 ( 3.113 -8.456 -5.686) 10.655 4.841 ( -0.493 -5.024 -1.231) 5.196 4.993 ( -0.441 -6.943 -1.740) 7.171 5.040 ( -0.853 -3.585 -0.647) 3.741 5.088 ( 1.107 -2.251 0.867) 2.654 5.264 ( -0.811 1.408 1.888) 2.491 5.375 ( -1.301 -0.756 -0.787) 1.698 5.390 ( 2.184 3.095 -1.486) 4.069 5.416 ( 1.804 1.199 0.384) 2.200 5.446 ( 1.333 4.000 -1.912) 4.629 5.485 ( 0.535 3.432 2.051) 4.034 5.616 ( -0.009 -0.179 -1.452) 1.463 5.637 ( -1.469 -1.305 2.236) 2.977 5.681 ( 1.668 -2.010 -0.404) 2.643 5.892 ( -0.175 7.992 0.135) 7.995 5.992 ( 1.588 0.344 1.249) 2.049 6.066 ( 1.681 2.594 0.834) 3.202 6.133 ( 2.794 -2.179 -1.174) 3.733 6.145 ( 0.327 1.613 0.153) 1.653 6.179 ( -1.436 -2.876 0.878) 3.333 6.296 ( 1.915 -2.679 0.188) 3.298 6.342 ( 1.866 1.967 -0.744) 2.812 6.452 ( 1.356 -0.673 0.497) 1.594 6.498 ( -1.474 -5.751 -0.796) 5.990 6.756 ( 1.252 -1.265 0.309) 1.806 6.786 ( 1.485 -0.833 0.430) 1.756 7.032 ( 4.086 2.365 -0.092) 4.722 7.052 ( 2.239 1.760 0.660) 2.923 7.154 ( 1.301 2.251 0.651) 2.680 7.351 ( 1.780 -5.756 1.126) 6.129 7.726 ( 1.879 3.686 -0.898) 4.233 7.851 ( 1.139 -0.277 0.062) 1.174 7.933 ( 9.286 2.182 1.078) 9.600 8.117 ( 8.281 -5.827 -0.899) 10.166 8.201 ( 0.517 -1.783 3.475) 3.940 8.225 ( 0.585 -3.414 0.403) 3.487 8.304 ( 3.234 -0.278 -1.275) 3.488 8.412 ( 1.463 -5.130 -1.653) 5.585 8.615 ( 1.306 2.972 -1.740) 3.683 8.644 ( 0.949 2.079 2.556) 3.429 8.689 ( -3.726 1.836 -2.357) 4.777 8.757 ( -1.267 -1.059 -1.090) 1.979 8.978 ( 6.882 3.202 -3.533) 8.373 9.054 ( -0.213 -0.885 1.278) 1.569 9.107 ( -0.136 -0.705 -0.913) 1.162 9.173 ( 1.340 -6.246 0.589) 6.415 9.288 ( -2.005 1.473 1.519) 2.915 9.468 ( 0.738 -4.514 1.364) 4.773 9.525 ( 5.113 2.843 -4.735) 7.526 9.562 ( -0.569 7.240 0.690) 7.295 9.608 ( -0.435 6.190 4.252) 7.522 9.719 ( 0.137 -2.702 -2.378) 3.602 9.739 ( -4.696 1.400 4.487) 6.644 9.816 ( 2.185 -4.630 -3.174) 6.023 9.867 ( -0.029 -2.743 2.801) 3.921 9.937 ( -4.925 -2.904 -1.184) 5.838 10.041 ( -1.284 5.164 1.922) 5.658 10.199 ( -0.010 4.589 -0.670) 4.638 10.294 ( 0.325 -1.644 0.402) 1.723 10.322 ( 0.158 -1.114 0.717) 1.334 10.458 ( 3.838 4.068 0.197) 5.596 10.493 ( 0.263 -1.344 -0.303) 1.403 10.534 ( -0.292 -0.113 0.123) 0.336 10.570 ( -0.319 8.692 0.728) 8.728 10.669 ( -4.745 -1.259 -1.333) 5.087 10.726 ( -2.355 1.796 -0.138) 2.965 10.856 ( 2.461 -3.371 3.537) 5.471 10.891 ( -0.516 2.488 -2.010) 3.240 10.939 ( -5.031 -3.059 -4.864) 7.637 11.033 ( 1.762 2.211 1.136) 3.047 11.256 ( 3.205 12.337 -1.052) 12.790 11.432 ( -8.547 12.960 -1.270) 15.576 11.669 ( 1.058 -4.272 3.452) 5.593 11.686 ( -0.512 -7.082 1.578) 7.273 11.865 ( -0.544 -0.179 0.215) 0.612 12.070 ( -4.895 -5.127 -6.068) 9.331 12.468 ( 0.797 -8.923 -0.262) 8.963 12.578 ( -4.265 -9.149 4.423) 11.021 12.891 ( -0.911 -0.995 3.974) 4.197 13.049 ( 7.524 -7.592 1.568) 10.803 13.175 ( -1.339 2.752 -1.036) 3.231 13.304 ( -9.238 -2.987 0.342) 9.715 13.896 ( -1.055 8.956 -2.490) 9.355 14.150 ( -0.070 -4.749 -0.533) 4.779 14.254 ( -0.790 0.859 -0.313) 1.208 14.269 ( -0.645 0.517 -0.337) 0.893 14.710 ( -0.547 8.023 -0.267) 8.046 14.949 ( -1.845 -1.268 -1.264) 2.571 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 -27.826 0.000) 27.826 1.201 ( 0.000 27.826 0.000) 27.826 1.268 ( 0.000 -29.217 0.000) 29.217 1.268 ( 0.000 29.217 0.000) 29.217 2.162 ( 0.000 -44.738 0.000) 44.738 2.162 ( 0.000 44.738 0.000) 44.738 2.470 ( 0.000 -0.243 0.000) 0.243 2.470 ( 0.000 0.243 0.000) 0.243 2.859 ( 0.000 -10.422 0.000) 10.422 2.859 ( 0.000 10.422 0.000) 10.422 2.948 ( 0.000 -8.802 0.000) 8.802 2.948 ( 0.000 8.802 0.000) 8.802 3.171 ( 0.000 -12.600 0.000) 12.600 3.171 ( 0.000 12.600 0.000) 12.600 3.225 ( 0.000 -6.249 0.000) 6.249 3.225 ( 0.000 6.249 0.000) 6.249 3.443 ( 0.000 -0.917 0.000) 0.917 3.443 ( 0.000 0.917 0.000) 0.917 3.619 ( 0.000 -9.102 0.000) 9.102 3.619 ( 0.000 9.102 0.000) 9.102 3.725 ( 0.000 -6.248 0.000) 6.248 3.725 ( 0.000 6.248 0.000) 6.248 3.910 ( 0.000 -7.445 0.000) 7.445 3.910 ( 0.000 7.445 0.000) 7.445 3.980 ( 0.000 -5.603 0.000) 5.603 3.980 ( 0.000 5.603 0.000) 5.603 4.247 ( 0.000 -7.905 0.000) 7.905 4.247 ( 0.000 7.905 0.000) 7.905 4.433 ( 0.000 -0.127 0.000) 0.127 4.433 ( 0.000 0.127 0.000) 0.127 4.572 ( 0.000 -4.766 0.000) 4.766 4.572 ( 0.000 4.766 0.000) 4.766 4.690 ( 0.000 -0.107 0.000) 0.107 4.690 ( 0.000 0.107 0.000) 0.107 4.836 ( 0.000 -4.755 0.000) 4.755 4.836 ( 0.000 4.755 0.000) 4.755 4.912 ( 0.000 -0.882 0.000) 0.882 4.912 ( 0.000 0.882 0.000) 0.882 5.291 ( 0.000 -3.884 0.000) 3.884 5.291 ( 0.000 3.884 0.000) 3.884 5.340 ( 0.000 -2.510 0.000) 2.510 5.340 ( 0.000 2.510 0.000) 2.510 5.539 ( 0.000 -1.235 0.000) 1.235 5.539 ( 0.000 1.235 0.000) 1.235 5.597 ( 0.000 -1.204 0.000) 1.204 5.597 ( 0.000 1.204 0.000) 1.204 5.762 ( 0.000 -2.939 0.000) 2.939 5.762 ( 0.000 2.939 0.000) 2.939 5.864 ( 0.000 -0.173 0.000) 0.173 5.864 ( 0.000 0.173 0.000) 0.173 6.062 ( 0.000 -4.540 0.000) 4.540 6.062 ( 0.000 4.540 0.000) 4.540 6.133 ( 0.000 -5.016 0.000) 5.016 6.133 ( 0.000 5.016 0.000) 5.016 6.199 ( 0.000 -4.620 0.000) 4.620 6.199 ( 0.000 4.620 0.000) 4.620 6.379 ( 0.000 -1.283 0.000) 1.283 6.379 ( 0.000 1.283 0.000) 1.283 6.889 ( 0.000 -5.569 0.000) 5.569 6.889 ( 0.000 5.569 0.000) 5.569 7.032 ( 0.000 -3.028 0.000) 3.028 7.032 ( 0.000 3.028 0.000) 3.028 7.512 ( 0.000 -0.574 0.000) 0.574 7.512 ( 0.000 0.574 0.000) 0.574 7.666 ( 0.000 -2.086 0.000) 2.086 7.666 ( 0.000 2.086 0.000) 2.086 7.953 ( 0.000 -3.445 0.000) 3.445 7.953 ( 0.000 3.445 0.000) 3.445 8.236 ( 0.000 -0.089 0.000) 0.089 8.236 ( 0.000 0.089 0.000) 0.089 8.442 ( 0.000 -0.337 0.000) 0.337 8.442 ( 0.000 0.337 0.000) 0.337 8.824 ( 0.000 -2.245 0.000) 2.245 8.824 ( 0.000 2.245 0.000) 2.245 8.896 ( 0.000 -7.562 0.000) 7.562 8.896 ( 0.000 7.562 0.000) 7.562 8.961 ( 0.000 -1.353 0.000) 1.353 8.961 ( 0.000 1.353 0.000) 1.353 9.188 ( 0.000 -0.872 0.000) 0.872 9.188 ( 0.000 0.872 0.000) 0.872 9.271 ( 0.000 -0.195 0.000) 0.195 9.271 ( 0.000 0.195 0.000) 0.195 9.576 ( 0.000 -3.533 0.000) 3.533 9.576 ( 0.000 3.533 0.000) 3.533 9.911 ( 0.000 -0.526 0.000) 0.526 9.911 ( 0.000 0.526 0.000) 0.526 10.155 ( 0.000 -0.008 0.000) 0.008 10.155 ( 0.000 0.008 0.000) 0.008 10.258 ( 0.000 -0.280 0.000) 0.280 10.258 ( 0.000 0.280 0.000) 0.280 10.331 ( 0.000 -2.713 0.000) 2.713 10.331 ( 0.000 2.713 0.000) 2.713 10.549 ( 0.000 -2.039 0.000) 2.039 10.549 ( 0.000 2.039 0.000) 2.039 10.592 ( 0.000 -0.399 0.000) 0.399 10.592 ( 0.000 0.399 0.000) 0.399 10.692 ( 0.000 -1.657 0.000) 1.657 10.692 ( 0.000 1.657 0.000) 1.657 10.868 ( 0.000 -6.164 0.000) 6.164 10.868 ( 0.000 6.164 0.000) 6.164 11.166 ( 0.000 -3.105 0.000) 3.105 11.166 ( 0.000 3.105 0.000) 3.105 11.363 ( 0.000 -3.795 0.000) 3.795 11.363 ( 0.000 3.795 0.000) 3.795 11.828 ( 0.000 -6.667 0.000) 6.667 11.828 ( 0.000 6.667 0.000) 6.667 11.926 ( 0.000 -5.148 0.000) 5.148 11.926 ( 0.000 5.148 0.000) 5.148 12.453 ( 0.000 -1.383 0.000) 1.383 12.453 ( 0.000 1.383 0.000) 1.383 13.190 ( 0.000 -7.136 0.000) 7.136 13.190 ( 0.000 7.136 0.000) 7.136 13.621 ( 0.000 -27.029 0.000) 27.029 13.621 ( 0.000 27.029 0.000) 27.029 14.135 ( 0.000 -0.253 0.000) 0.253 14.135 ( 0.000 0.253 0.000) 0.253 14.366 ( 0.000 -6.302 0.000) 6.302 14.366 ( 0.000 6.302 0.000) 6.302 15.683 ( 0.000 -9.251 0.000) 9.251 15.683 ( 0.000 9.251 0.000) 9.251 ======================= Grid point 20 (12/84) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 4.863 -23.656 -1.589) 24.203 1.279 ( 4.863 23.656 -1.589) 24.203 1.366 ( 12.452 -24.460 1.408) 27.483 1.366 ( 12.452 24.460 1.408) 27.483 2.326 ( -8.120 -7.094 5.456) 12.084 2.326 ( -8.120 7.094 5.456) 12.084 2.369 ( 13.224 -34.257 -2.127) 36.782 2.369 ( 13.224 34.257 -2.127) 36.782 2.884 ( 0.685 -9.220 -1.020) 9.302 2.884 ( 0.685 9.220 -1.020) 9.302 2.996 ( 3.723 -6.933 -5.202) 9.433 2.996 ( 3.723 6.933 -5.202) 9.433 3.195 ( 0.715 -0.411 -6.915) 6.964 3.195 ( 0.715 0.411 -6.915) 6.964 3.221 ( -0.422 -2.898 11.660) 12.023 3.221 ( -0.422 2.898 11.660) 12.023 3.369 ( -2.185 -4.164 -6.301) 7.862 3.369 ( -2.185 4.164 -6.301) 7.862 3.549 ( -4.342 -7.883 3.277) 9.578 3.549 ( -4.342 7.883 3.277) 9.578 3.818 ( 3.276 -1.750 0.554) 3.755 3.818 ( 3.276 1.750 0.554) 3.755 3.868 ( -3.489 -7.649 1.240) 8.498 3.868 ( -3.489 7.649 1.240) 8.498 3.925 ( -2.845 -3.704 2.998) 5.550 3.925 ( -2.845 3.704 2.998) 5.550 4.257 ( -1.054 -6.839 -0.136) 6.921 4.257 ( -1.054 6.839 -0.136) 6.921 4.398 ( -1.117 -4.498 -2.404) 5.221 4.398 ( -1.117 4.498 -2.404) 5.221 4.630 ( 3.089 -2.756 0.504) 4.170 4.630 ( 3.089 2.756 0.504) 4.170 4.696 ( 1.217 -1.727 -2.647) 3.387 4.696 ( 1.217 1.727 -2.647) 3.387 4.876 ( 4.144 -3.835 2.402) 6.136 4.876 ( 4.144 3.835 2.402) 6.136 4.980 ( 4.910 -1.447 -3.586) 6.250 4.980 ( 4.910 1.447 -3.586) 6.250 5.244 ( -0.437 -1.047 -2.687) 2.916 5.244 ( -0.437 1.047 -2.687) 2.916 5.443 ( 5.757 -4.573 -0.324) 7.359 5.443 ( 5.757 4.573 -0.324) 7.359 5.551 ( -0.527 -1.305 -1.530) 2.079 5.551 ( -0.527 1.305 -1.530) 2.079 5.600 ( 1.436 -3.334 2.570) 4.448 5.600 ( 1.436 3.334 2.570) 4.448 5.794 ( 2.216 -3.315 1.498) 4.260 5.794 ( 2.216 3.315 1.498) 4.260 5.892 ( 1.525 -1.171 2.913) 3.490 5.892 ( 1.525 1.171 2.913) 3.490 6.086 ( 1.422 -2.215 1.002) 2.817 6.086 ( 1.422 2.215 1.002) 2.817 6.166 ( 3.903 -9.284 0.299) 10.075 6.166 ( 3.903 9.284 0.299) 10.075 6.239 ( 4.412 -4.439 0.084) 6.259 6.239 ( 4.412 4.439 0.084) 6.259 6.428 ( 4.921 -0.652 -1.333) 5.140 6.428 ( 4.921 0.652 -1.333) 5.140 6.881 ( -2.950 -4.922 4.882) 7.534 6.881 ( -2.950 4.922 4.882) 7.534 6.984 ( -0.367 -1.387 -3.089) 3.406 6.984 ( -0.367 1.387 -3.089) 3.406 7.538 ( 1.902 -3.729 0.197) 4.191 7.538 ( 1.902 3.729 0.197) 4.191 7.706 ( 2.683 -2.776 -5.984) 7.121 7.706 ( 2.683 2.776 -5.984) 7.121 7.973 ( 2.949 -4.418 4.178) 6.758 7.973 ( 2.949 4.418 4.178) 6.758 8.232 ( -1.106 -2.204 0.984) 2.655 8.232 ( -1.106 2.204 0.984) 2.655 8.472 ( 2.973 -1.261 1.071) 3.402 8.472 ( 2.973 1.261 1.071) 3.402 8.793 ( -0.295 -0.720 -5.533) 5.588 8.793 ( -0.295 0.720 -5.533) 5.588 8.919 ( -1.497 -8.174 0.106) 8.310 8.919 ( -1.497 8.174 0.106) 8.310 8.955 ( 3.834 -2.348 -0.647) 4.543 8.955 ( 3.834 2.348 -0.647) 4.543 9.173 ( -1.607 -1.984 -0.188) 2.560 9.173 ( -1.607 1.984 -0.188) 2.560 9.327 ( 3.418 -4.441 1.833) 5.896 9.327 ( 3.418 4.441 1.833) 5.896 9.566 ( 0.372 -2.945 0.474) 3.006 9.566 ( 0.372 2.945 0.474) 3.006 9.920 ( 0.594 -1.772 -1.067) 2.152 9.920 ( 0.594 1.772 -1.067) 2.152 10.149 ( -0.916 -0.611 2.606) 2.829 10.149 ( -0.916 0.611 2.606) 2.829 10.259 ( 0.403 -1.099 -1.434) 1.851 10.259 ( 0.403 1.099 -1.434) 1.851 10.339 ( -0.503 -0.986 2.236) 2.495 10.339 ( -0.503 0.986 2.236) 2.495 10.506 ( -4.186 -2.639 -0.277) 4.956 10.506 ( -4.186 2.639 -0.277) 4.956 10.596 ( 0.587 -4.150 1.392) 4.417 10.596 ( 0.587 4.150 1.392) 4.417 10.717 ( 2.146 -2.893 -1.244) 3.811 10.717 ( 2.146 2.893 -1.244) 3.811 10.869 ( 0.016 -5.903 0.140) 5.905 10.869 ( 0.016 5.903 0.140) 5.905 11.143 ( -2.482 -3.466 -2.047) 4.729 11.143 ( -2.482 3.466 -2.047) 4.729 11.372 ( 1.239 -5.327 3.047) 6.260 11.372 ( 1.239 5.327 3.047) 6.260 11.808 ( -1.667 -7.575 -3.205) 8.392 11.808 ( -1.667 7.575 -3.205) 8.392 12.042 ( 9.288 -5.524 -3.432) 11.339 12.042 ( 9.288 5.524 -3.432) 11.339 12.466 ( 0.296 -4.187 8.773) 9.725 12.466 ( 0.296 4.187 8.773) 9.725 13.143 ( -4.536 -6.147 2.913) 8.176 13.143 ( -4.536 6.147 2.913) 8.176 13.574 ( -4.094 -23.850 -3.351) 24.430 13.574 ( -4.094 23.850 -3.351) 24.430 14.128 ( -0.771 -1.317 -0.555) 1.624 14.128 ( -0.771 1.317 -0.555) 1.624 14.348 ( -1.554 -5.090 -0.134) 5.324 14.348 ( -1.554 5.090 -0.134) 5.324 15.481 ( -16.457 -4.590 -2.277) 17.236 15.481 ( -16.457 4.590 -2.277) 17.236 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 10.345 -11.020 -2.924) 15.395 1.437 ( 10.345 11.020 -2.924) 15.395 1.692 ( 15.964 -15.170 4.727) 22.523 1.692 ( 15.964 15.170 4.727) 22.523 2.074 ( -10.714 -3.218 2.679) 11.504 2.074 ( -10.714 3.218 2.679) 11.504 2.640 ( 5.236 -15.719 -5.069) 17.327 2.640 ( 5.236 15.719 -5.069) 17.327 2.910 ( -0.961 -4.068 1.432) 4.419 2.910 ( -0.961 4.068 1.432) 4.419 2.989 ( -1.066 -6.057 -1.293) 6.285 2.989 ( -1.066 6.057 -1.293) 6.285 3.224 ( 3.817 -5.567 5.421) 8.657 3.224 ( 3.817 5.567 5.421) 8.657 3.257 ( 6.810 -2.974 -4.213) 8.542 3.257 ( 6.810 2.974 -4.213) 8.542 3.390 ( 0.367 -3.704 -6.248) 7.273 3.390 ( 0.367 3.704 -6.248) 7.273 3.533 ( 2.999 -1.870 2.867) 4.551 3.533 ( 2.999 1.870 2.867) 4.551 3.750 ( -6.780 -3.617 -0.179) 7.686 3.750 ( -6.780 3.617 -0.179) 7.686 3.775 ( -3.478 -3.079 3.053) 5.558 3.775 ( -3.478 3.079 3.053) 5.558 3.931 ( -0.428 -4.106 2.792) 4.984 3.931 ( -0.428 4.106 2.792) 4.984 4.173 ( -6.139 -4.233 -0.303) 7.463 4.173 ( -6.139 4.233 -0.303) 7.463 4.439 ( 4.437 -4.981 -0.292) 6.677 4.439 ( 4.437 4.981 -0.292) 6.677 4.627 ( -1.900 -2.289 -0.954) 3.124 4.627 ( -1.900 2.289 -0.954) 3.124 4.734 ( 1.042 -1.305 -2.973) 3.410 4.734 ( 1.042 1.305 -2.973) 3.410 4.968 ( 1.834 -4.558 -0.245) 4.919 4.968 ( 1.834 4.558 -0.245) 4.919 5.113 ( 8.878 -0.793 -0.571) 8.931 5.113 ( 8.878 0.793 -0.571) 8.931 5.260 ( 1.699 -0.200 -1.533) 2.297 5.260 ( 1.699 0.200 -1.533) 2.297 5.451 ( -3.591 -0.916 -2.033) 4.227 5.451 ( -3.591 0.916 -2.033) 4.227 5.604 ( 2.232 -3.290 0.687) 4.035 5.604 ( 2.232 3.290 0.687) 4.035 5.648 ( 3.462 -2.848 0.188) 4.487 5.648 ( 3.462 2.848 0.188) 4.487 5.789 ( -0.199 -5.014 4.333) 6.629 5.789 ( -0.199 5.014 4.333) 6.629 5.954 ( 4.636 -4.711 0.987) 6.683 5.954 ( 4.636 4.711 0.987) 6.683 6.126 ( 2.197 -0.964 -1.067) 2.626 6.126 ( 2.197 0.964 -1.067) 2.626 6.252 ( 4.105 -8.961 -0.501) 9.870 6.252 ( 4.105 8.961 -0.501) 9.870 6.381 ( 7.086 -5.108 1.765) 8.912 6.381 ( 7.086 5.108 1.765) 8.912 6.549 ( 5.583 -2.228 -0.775) 6.061 6.549 ( 5.583 2.228 -0.775) 6.061 6.823 ( 0.971 -2.206 1.548) 2.864 6.823 ( 0.971 2.206 1.548) 2.864 7.053 ( 5.340 -3.748 1.076) 6.612 7.053 ( 5.340 3.748 1.076) 6.612 7.590 ( 3.808 -5.017 -0.828) 6.352 7.590 ( 3.808 5.017 -0.828) 6.352 7.747 ( 1.949 -4.443 -5.099) 7.038 7.747 ( 1.949 4.443 -5.099) 7.038 8.072 ( 5.186 -1.383 6.769) 8.639 8.072 ( 5.186 1.383 6.769) 8.639 8.210 ( 0.367 -5.021 -1.099) 5.153 8.210 ( 0.367 5.021 -1.099) 5.153 8.557 ( 4.855 -1.873 3.148) 6.082 8.557 ( 4.855 1.873 3.148) 6.082 8.818 ( 0.924 -0.585 -3.692) 3.851 8.818 ( 0.924 0.585 -3.692) 3.851 8.885 ( -1.093 -8.542 -4.071) 9.525 8.885 ( -1.093 8.542 -4.071) 9.525 9.066 ( 3.879 -1.617 0.088) 4.204 9.066 ( 3.879 1.617 0.088) 4.204 9.176 ( 5.776 -4.704 -0.473) 7.465 9.176 ( 5.776 4.704 -0.473) 7.465 9.377 ( 1.599 -4.627 -0.596) 4.931 9.377 ( 1.599 4.627 -0.596) 4.931 9.609 ( 3.046 -0.799 2.970) 4.329 9.609 ( 3.046 0.799 2.970) 4.329 9.918 ( -1.625 -3.266 -2.136) 4.227 9.918 ( -1.625 3.266 -2.136) 4.227 10.111 ( -2.510 -2.006 4.102) 5.210 10.111 ( -2.510 2.006 4.102) 5.210 10.262 ( -0.929 -1.522 -1.222) 2.161 10.262 ( -0.929 1.522 -1.222) 2.161 10.293 ( -4.295 -2.401 2.552) 5.543 10.293 ( -4.295 2.401 2.552) 5.543 10.415 ( -2.266 -1.821 -0.891) 3.041 10.415 ( -2.266 1.821 -0.891) 3.041 10.619 ( 1.293 -1.289 2.139) 2.812 10.619 ( 1.293 1.289 2.139) 2.812 10.749 ( 0.141 -2.247 -4.025) 4.612 10.749 ( 0.141 2.247 -4.025) 4.612 10.875 ( 1.032 -3.183 1.812) 3.805 10.875 ( 1.032 3.183 1.812) 3.805 11.063 ( -4.908 -5.386 -3.346) 8.018 11.063 ( -4.908 5.386 -3.346) 8.018 11.426 ( 3.814 -5.743 3.728) 7.837 11.426 ( 3.814 5.743 3.728) 7.837 11.741 ( -4.934 -7.621 -3.303) 9.661 11.741 ( -4.934 7.621 -3.303) 9.661 12.220 ( 4.741 -5.751 -6.794) 10.085 12.220 ( 4.741 5.751 -6.794) 10.085 12.443 ( -1.347 -12.171 11.253) 16.631 12.443 ( -1.347 12.171 11.253) 16.631 13.013 ( -7.715 -6.000 6.120) 11.531 13.013 ( -7.715 6.000 6.120) 11.531 13.474 ( -5.304 -15.374 -2.836) 16.508 13.474 ( -5.304 15.374 -2.836) 16.508 14.098 ( -2.112 -3.624 -2.087) 4.685 14.098 ( -2.112 3.624 -2.087) 4.685 14.315 ( -1.466 -2.252 -0.379) 2.714 14.315 ( -1.466 2.252 -0.379) 2.714 15.147 ( -13.857 -3.769 -3.178) 14.708 15.147 ( -13.857 3.769 -3.178) 14.708 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -2.486 -7.500 -2.070) 8.168 1.600 ( -2.486 7.500 -2.070) 8.168 1.782 ( 4.987 -2.980 3.424) 6.744 1.782 ( 4.987 2.980 3.424) 6.744 2.200 ( 17.793 -12.841 4.296) 22.359 2.200 ( 17.793 12.841 4.296) 22.359 2.589 ( -7.022 -3.221 -3.682) 8.558 2.589 ( -7.022 3.221 -3.682) 8.558 2.840 ( -1.783 -1.552 -6.166) 6.604 2.840 ( -1.783 1.552 -6.166) 6.604 2.981 ( -1.917 -2.375 3.227) 4.442 2.981 ( -1.917 2.375 3.227) 4.442 3.298 ( -1.882 -0.641 2.424) 3.135 3.298 ( -1.882 0.641 2.424) 3.135 3.370 ( 2.639 -4.789 -3.721) 6.614 3.370 ( 2.639 4.789 -3.721) 6.614 3.447 ( -2.160 -7.432 -3.687) 8.573 3.447 ( -2.160 7.432 -3.687) 8.573 3.486 ( -0.144 -9.058 4.609) 10.164 3.486 ( -0.144 9.058 4.609) 10.164 3.671 ( -1.199 -5.394 -1.218) 5.658 3.671 ( -1.199 5.394 -1.218) 5.658 3.791 ( 2.824 -2.296 2.048) 4.177 3.791 ( 2.824 2.296 2.048) 4.177 3.920 ( 2.611 -2.330 1.291) 3.730 3.920 ( 2.611 2.330 1.291) 3.730 4.074 ( -1.463 -2.032 0.212) 2.513 4.074 ( -1.463 2.032 0.212) 2.513 4.505 ( 0.363 -5.186 3.468) 6.249 4.505 ( 0.363 5.186 3.468) 6.249 4.590 ( -1.828 -3.127 -3.524) 5.054 4.590 ( -1.828 3.127 -3.524) 5.054 4.756 ( 2.703 -8.477 -1.603) 9.041 4.756 ( 2.703 8.477 -1.603) 9.041 4.954 ( -2.165 -4.920 -1.209) 5.509 4.954 ( -2.165 4.920 -1.209) 5.509 5.189 ( -1.663 -6.542 1.504) 6.915 5.189 ( -1.663 6.542 1.504) 6.915 5.363 ( 6.040 -1.147 -2.004) 6.466 5.363 ( 6.040 1.147 -2.004) 6.466 5.398 ( -0.430 -0.356 0.240) 0.607 5.398 ( -0.430 0.356 0.240) 0.607 5.600 ( -0.149 -1.716 0.581) 1.818 5.600 ( -0.149 1.717 0.581) 1.818 5.664 ( -1.161 -3.191 -2.913) 4.474 5.664 ( -1.161 3.191 -2.913) 4.474 5.896 ( 7.519 -3.155 2.185) 8.442 5.896 ( 7.519 3.155 2.185) 8.442 6.042 ( 3.086 -4.703 1.766) 5.896 6.042 ( 3.086 4.703 1.766) 5.896 6.165 ( 1.337 -2.578 -0.615) 2.969 6.165 ( 1.337 2.578 -0.615) 2.969 6.312 ( 0.776 -6.179 1.027) 6.311 6.312 ( 0.776 6.179 1.027) 6.311 6.416 ( -0.850 -4.767 -0.936) 4.932 6.416 ( -0.850 4.767 -0.936) 4.932 6.684 ( 6.385 -1.200 0.504) 6.516 6.684 ( 6.385 1.200 0.504) 6.516 6.941 ( 7.882 -1.245 0.759) 8.016 6.941 ( 7.882 1.245 0.759) 8.016 7.165 ( 4.834 -4.598 1.927) 6.944 7.165 ( 4.834 4.598 1.927) 6.944 7.715 ( 7.564 -5.410 -1.688) 9.452 7.715 ( 7.564 5.410 -1.688) 9.452 7.812 ( 5.707 -3.970 -1.425) 7.097 7.812 ( 5.707 3.970 -1.425) 7.097 8.148 ( 2.399 -0.380 6.014) 6.486 8.148 ( 2.399 0.380 6.014) 6.486 8.266 ( 3.875 -4.270 -3.277) 6.632 8.266 ( 3.875 4.270 -3.277) 6.632 8.642 ( 2.569 -1.797 2.660) 4.112 8.642 ( 2.569 1.797 2.660) 4.112 8.784 ( -3.071 -1.406 -0.371) 3.398 8.784 ( -3.071 1.406 -0.371) 3.398 8.915 ( 4.185 -5.525 -4.214) 8.112 8.915 ( 4.185 5.525 -4.214) 8.112 9.099 ( 1.115 -0.764 -1.756) 2.216 9.099 ( 1.115 0.764 -1.756) 2.216 9.360 ( 3.588 -3.646 -1.604) 5.361 9.360 ( 3.588 3.646 -1.604) 5.361 9.437 ( 8.908 -3.588 -0.132) 9.605 9.437 ( 8.908 3.588 -0.132) 9.605 9.667 ( 2.449 -4.123 4.809) 6.791 9.667 ( 2.449 4.123 4.809) 6.791 9.826 ( -6.343 -3.099 -2.672) 7.548 9.826 ( -6.343 3.099 -2.672) 7.548 10.032 ( -7.758 -1.869 2.589) 8.390 10.032 ( -7.758 1.869 2.589) 8.390 10.181 ( -1.413 -6.039 2.246) 6.596 10.181 ( -1.413 6.039 2.246) 6.596 10.267 ( 0.363 -2.714 0.103) 2.740 10.267 ( 0.363 2.714 0.103) 2.740 10.431 ( 2.358 -2.614 -0.329) 3.535 10.431 ( 2.358 2.614 -0.329) 3.535 10.634 ( -0.485 -3.725 0.930) 3.870 10.634 ( -0.485 3.725 0.930) 3.870 10.723 ( -1.153 -1.435 -1.706) 2.509 10.723 ( -1.153 1.435 -1.706) 2.509 10.906 ( -0.369 -3.294 0.279) 3.326 10.906 ( -0.369 3.294 0.279) 3.326 10.977 ( -1.105 -3.570 -4.235) 5.648 10.977 ( -1.105 3.570 -4.235) 5.648 11.512 ( 3.944 -4.594 1.579) 6.257 11.512 ( 3.944 4.594 1.579) 6.257 11.621 ( -5.987 -8.204 -0.231) 10.159 11.621 ( -5.987 8.204 -0.231) 10.159 12.128 ( -10.257 -5.443 -0.498) 11.623 12.128 ( -10.257 5.443 -0.498) 11.623 12.466 ( -0.184 -9.196 1.847) 9.381 12.466 ( -0.184 9.196 1.847) 9.381 12.887 ( -2.890 -2.842 4.418) 5.996 12.887 ( -2.890 2.842 4.418) 5.996 13.359 ( -5.706 -8.331 1.345) 10.187 13.359 ( -5.706 8.331 1.345) 10.187 14.056 ( -1.442 -5.110 -3.028) 6.112 14.056 ( -1.442 5.110 -3.028) 6.112 14.289 ( -1.137 -0.178 -0.549) 1.275 14.289 ( -1.137 0.178 -0.549) 1.275 14.944 ( -6.112 -6.282 -2.372) 9.080 14.944 ( -6.112 6.282 -2.372) 9.080 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -4.953 -3.626 0.079) 6.138 1.461 ( -4.953 3.626 0.079) 6.138 2.001 ( 10.138 -11.392 -0.073) 15.250 2.001 ( 10.138 11.392 -0.073) 15.250 2.362 ( -5.847 -3.417 4.215) 7.977 2.362 ( -5.847 3.417 4.215) 7.977 2.614 ( 12.407 -5.347 -1.091) 13.554 2.614 ( 12.407 5.347 -1.091) 13.554 2.818 ( -1.568 -2.175 -9.703) 10.066 2.818 ( -1.568 2.175 -9.703) 10.066 2.934 ( -1.800 -1.212 5.135) 5.575 2.934 ( -1.800 1.212 5.135) 5.575 3.180 ( -7.967 -3.846 -0.293) 8.852 3.180 ( -7.967 3.846 -0.293) 8.852 3.318 ( -1.500 -0.913 2.441) 3.007 3.318 ( -1.500 0.913 2.441) 3.007 3.361 ( -3.019 -3.976 0.232) 4.998 3.361 ( -3.019 3.976 0.232) 4.998 3.556 ( 2.229 -6.885 -0.515) 7.256 3.556 ( 2.229 6.885 -0.515) 7.256 3.660 ( -1.058 -1.954 -1.522) 2.693 3.660 ( -1.058 1.954 -1.522) 2.693 3.788 ( -0.433 -2.766 -0.810) 2.914 3.788 ( -0.433 2.766 -0.810) 2.914 4.039 ( 4.284 -7.565 2.175) 8.962 4.039 ( 4.284 7.565 2.175) 8.962 4.126 ( 4.399 -8.067 0.469) 9.200 4.126 ( 4.399 8.067 0.469) 9.200 4.474 ( -2.916 -4.650 1.453) 5.678 4.474 ( -2.916 4.650 1.453) 5.678 4.541 ( -1.346 -3.828 -1.769) 4.426 4.541 ( -1.346 3.828 -1.769) 4.426 4.826 ( 2.189 -9.973 -0.822) 10.244 4.826 ( 2.189 9.973 -0.822) 10.244 4.923 ( -0.296 -6.956 0.287) 6.968 4.923 ( -0.296 6.956 0.287) 6.968 5.143 ( -1.390 -7.267 0.121) 7.399 5.143 ( -1.390 7.267 0.121) 7.399 5.389 ( -0.058 -1.706 -1.240) 2.110 5.389 ( -0.058 1.706 -1.240) 2.110 5.456 ( 2.317 -0.539 -0.135) 2.383 5.456 ( 2.317 0.539 -0.135) 2.383 5.616 ( 0.575 -1.697 0.024) 1.792 5.616 ( 0.575 1.697 0.024) 1.792 5.632 ( -1.224 -3.138 -0.647) 3.430 5.632 ( -1.224 3.138 -0.647) 3.430 6.008 ( 2.674 -0.364 0.569) 2.758 6.008 ( 2.674 0.364 0.569) 2.758 6.077 ( 0.533 -0.094 0.817) 0.980 6.077 ( 0.533 0.094 0.817) 0.980 6.165 ( -0.707 -1.455 0.647) 1.743 6.165 ( -0.707 1.455 0.647) 1.743 6.303 ( -0.189 -4.454 0.242) 4.464 6.303 ( -0.189 4.454 0.242) 4.464 6.437 ( 1.433 -0.514 -0.821) 1.730 6.437 ( 1.433 0.514 -0.821) 1.730 6.761 ( 1.482 -1.250 0.288) 1.960 6.761 ( 1.482 1.250 0.288) 1.960 7.066 ( 3.458 -0.609 0.244) 3.520 7.066 ( 3.458 0.609 0.244) 3.520 7.231 ( 1.523 -5.165 0.761) 5.438 7.231 ( 1.523 5.165 0.761) 5.438 7.808 ( 1.955 -3.691 -0.837) 4.260 7.808 ( 1.955 3.691 -0.837) 4.260 8.003 ( 8.689 -4.574 0.771) 9.850 8.003 ( 8.689 4.574 0.771) 9.850 8.183 ( 0.804 -0.306 2.159) 2.324 8.183 ( 0.804 0.306 2.159) 2.324 8.321 ( 1.161 -2.577 -2.311) 3.651 8.321 ( 1.161 2.577 -2.311) 3.651 8.662 ( 0.045 -0.826 0.910) 1.229 8.662 ( 0.045 0.826 0.910) 1.229 8.728 ( -1.874 -1.758 -0.591) 2.637 8.728 ( -1.874 1.758 -0.591) 2.637 9.022 ( 4.573 -2.060 -1.487) 5.232 9.022 ( 4.573 2.060 -1.487) 5.232 9.109 ( -0.349 -0.589 -0.650) 0.945 9.109 ( -0.349 0.589 -0.650) 0.945 9.354 ( -1.419 -4.928 0.738) 5.181 9.354 ( -1.419 4.928 0.738) 5.181 9.606 ( 4.936 -4.242 -1.755) 6.741 9.606 ( 4.936 4.242 -1.755) 6.741 9.709 ( -2.715 -1.765 -0.950) 3.375 9.709 ( -2.715 1.765 -0.950) 3.375 9.742 ( 2.170 -0.324 2.073) 3.018 9.742 ( 2.170 0.324 2.073) 3.018 9.857 ( -6.054 -2.954 2.081) 7.051 9.857 ( -6.054 2.954 2.081) 7.051 10.185 ( 0.194 -7.056 0.724) 7.096 10.185 ( 0.194 7.056 0.724) 7.096 10.285 ( 0.861 -2.361 0.236) 2.524 10.285 ( 0.861 2.361 0.236) 2.524 10.473 ( 1.143 -0.860 -0.429) 1.493 10.473 ( 1.143 0.860 -0.429) 1.493 10.607 ( -0.900 -4.488 0.212) 4.583 10.607 ( -0.900 4.488 0.212) 4.583 10.731 ( 0.991 -3.230 0.811) 3.475 10.731 ( 0.991 3.230 0.811) 3.475 10.844 ( -2.801 -3.280 -2.320) 4.897 10.844 ( -2.801 3.280 -2.320) 4.897 11.020 ( 2.317 -5.507 -1.350) 6.125 11.020 ( 2.317 5.507 -1.350) 6.125 11.501 ( -3.064 -10.281 -1.338) 10.811 11.501 ( -3.064 10.281 -1.338) 10.811 11.597 ( 2.096 -3.781 2.961) 5.240 11.597 ( 2.096 3.781 2.961) 5.240 11.931 ( -6.661 -7.261 -0.444) 9.864 11.931 ( -6.661 7.261 -0.444) 9.864 12.413 ( -2.698 -4.368 0.895) 5.212 12.413 ( -2.698 4.368 0.895) 5.212 12.884 ( 0.751 -3.568 0.041) 3.646 12.884 ( 0.751 3.568 0.041) 3.646 13.266 ( -2.646 -3.164 1.862) 4.526 13.266 ( -2.646 3.164 1.862) 4.526 14.042 ( -0.158 -5.744 -1.371) 5.907 14.042 ( -0.158 5.744 -1.371) 5.907 14.270 ( -0.562 -0.428 -0.281) 0.761 14.270 ( -0.562 0.428 -0.281) 0.761 14.873 ( -1.422 -6.351 -0.817) 6.559 14.873 ( -1.422 6.351 -0.817) 6.559 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 1.535 0.000 27.864) 27.906 0.620 ( 2.194 0.000 30.442) 30.521 0.798 ( -5.133 0.000 35.738) 36.105 2.127 ( 7.632 0.000 0.978) 7.694 2.221 ( 0.425 0.000 4.965) 4.983 2.262 ( 1.629 0.000 -13.164) 13.264 2.484 ( -3.548 0.000 -6.590) 7.484 2.501 ( -0.502 0.000 1.845) 1.912 2.579 ( -0.617 0.000 -0.124) 0.630 2.606 ( -1.653 0.000 1.602) 2.302 2.845 ( -5.326 0.000 -14.100) 15.072 2.943 ( 0.677 0.000 -17.819) 17.832 3.117 ( 1.534 0.000 -6.255) 6.441 3.254 ( -7.924 0.000 -7.031) 10.594 3.331 ( -0.641 0.000 -0.522) 0.826 3.332 ( 10.517 0.000 -0.470) 10.527 3.398 ( 1.451 0.000 -3.208) 3.521 3.503 ( 4.599 0.000 6.905) 8.297 3.523 ( -1.595 0.000 -1.595) 2.256 3.537 ( -4.334 0.000 -7.845) 8.963 3.725 ( -4.604 0.000 6.092) 7.637 3.770 ( -3.527 0.000 4.021) 5.349 3.786 ( -4.481 0.000 -0.234) 4.487 3.897 ( -3.424 0.000 -2.042) 3.987 4.076 ( 6.353 0.000 11.920) 13.507 4.095 ( -2.020 0.000 -3.390) 3.946 4.287 ( -0.190 0.000 4.167) 4.171 4.306 ( 1.272 0.000 0.248) 1.296 4.428 ( -1.611 0.000 -1.638) 2.298 4.468 ( -4.025 0.000 -0.659) 4.079 4.591 ( 2.046 0.000 -1.459) 2.513 4.707 ( 0.461 0.000 2.139) 2.188 4.738 ( 1.122 0.000 -0.520) 1.237 4.756 ( -1.339 0.000 -0.850) 1.586 4.801 ( 1.004 0.000 3.639) 3.775 4.866 ( -1.235 0.000 1.699) 2.100 4.964 ( -0.282 0.000 -6.215) 6.222 5.098 ( 0.122 0.000 -1.272) 1.277 5.185 ( 0.553 0.000 -1.545) 1.641 5.251 ( 1.691 0.000 2.186) 2.764 5.286 ( -5.063 0.000 1.985) 5.438 5.377 ( 5.858 0.000 -2.148) 6.239 5.397 ( -0.856 0.000 4.857) 4.932 5.495 ( 0.501 0.000 1.695) 1.767 5.542 ( -0.604 0.000 0.115) 0.615 5.574 ( -0.265 0.000 -3.282) 3.292 5.619 ( -5.337 0.000 -0.259) 5.343 5.721 ( 1.047 0.000 2.041) 2.294 5.805 ( 10.268 0.000 -1.853) 10.434 5.872 ( 0.648 0.000 2.284) 2.374 5.950 ( -1.288 0.000 -0.364) 1.339 6.034 ( -3.883 0.000 -1.367) 4.117 6.128 ( 1.717 0.000 5.514) 5.776 6.184 ( 9.983 0.000 -0.307) 9.988 6.220 ( 0.108 0.000 2.593) 2.595 6.311 ( 2.092 0.000 -7.781) 8.057 6.360 ( 1.232 0.000 0.000) 1.232 6.433 ( 0.078 0.000 -2.727) 2.728 6.658 ( -0.988 0.000 -9.028) 9.082 6.802 ( 3.540 0.000 8.886) 9.566 7.014 ( -6.773 0.000 -0.083) 6.773 7.210 ( 4.508 0.000 3.579) 5.756 7.512 ( -3.047 0.000 2.793) 4.133 7.542 ( 0.128 0.000 1.169) 1.176 7.685 ( 0.845 0.000 1.087) 1.377 7.710 ( -0.666 0.000 -1.683) 1.810 7.822 ( -2.057 0.000 -7.950) 8.212 7.898 ( 3.505 0.000 0.923) 3.625 8.144 ( 0.541 0.000 -5.666) 5.692 8.370 ( -4.723 0.000 -1.993) 5.126 8.400 ( -1.470 0.000 -5.608) 5.797 8.516 ( -3.840 0.000 7.725) 8.627 8.542 ( 2.129 0.000 -2.202) 3.063 8.842 ( -2.211 0.000 1.894) 2.911 8.890 ( 4.136 0.000 5.477) 6.863 8.903 ( -5.318 0.000 6.435) 8.349 9.049 ( -15.628 0.000 -0.567) 15.638 9.136 ( -4.422 0.000 -1.602) 4.703 9.222 ( 0.156 0.000 1.746) 1.753 9.254 ( 7.300 0.000 1.907) 7.545 9.285 ( 1.349 0.000 -0.523) 1.447 9.401 ( 9.086 0.000 -0.307) 9.091 9.456 ( -1.730 0.000 -2.387) 2.948 9.566 ( 3.796 0.000 -3.834) 5.395 9.830 ( 1.266 0.000 0.504) 1.362 9.917 ( -1.420 0.000 -3.291) 3.585 10.099 ( -0.673 0.000 1.895) 2.011 10.175 ( -0.795 0.000 -0.540) 0.961 10.221 ( 2.316 0.000 2.596) 3.479 10.317 ( -0.121 0.000 2.597) 2.600 10.332 ( 0.736 0.000 5.214) 5.266 10.427 ( 3.583 0.000 -0.791) 3.670 10.517 ( -2.120 0.000 0.927) 2.314 10.546 ( -1.160 0.000 1.729) 2.082 10.654 ( -3.693 0.000 4.200) 5.593 10.692 ( -0.506 0.000 5.246) 5.270 10.745 ( -0.178 0.000 -0.095) 0.201 10.862 ( 1.409 0.000 -0.536) 1.507 10.908 ( -3.052 0.000 0.342) 3.071 10.996 ( -4.278 0.000 -2.790) 5.107 11.230 ( 7.211 0.000 -6.166) 9.488 11.346 ( -5.544 0.000 -3.387) 6.497 11.422 ( 7.440 0.000 -2.772) 7.940 11.535 ( -4.930 0.000 -4.191) 6.471 11.687 ( -0.136 0.000 1.117) 1.126 11.815 ( 1.701 0.000 2.661) 3.158 11.827 ( 33.963 0.000 -0.015) 33.963 11.976 ( -2.275 0.000 -2.182) 3.152 12.122 ( -4.958 0.000 2.108) 5.387 12.271 ( 4.755 0.000 1.081) 4.876 12.762 ( 3.471 0.000 -5.921) 6.864 13.137 ( 2.512 0.000 -17.797) 17.974 13.440 ( 2.490 0.000 7.757) 8.147 13.898 ( -16.038 0.000 -0.265) 16.041 14.135 ( -1.705 0.000 -0.405) 1.752 14.227 ( 0.324 0.000 -0.593) 0.676 14.446 ( -0.753 0.000 10.178) 10.206 14.896 ( -0.489 0.000 12.624) 12.633 15.064 ( -2.967 0.000 -1.570) 3.357 15.841 ( -7.052 0.000 -6.042) 9.286 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 16.877 0.000 6.967) 18.259 0.868 ( 22.109 0.000 18.873) 29.068 1.380 ( 34.209 0.000 23.507) 41.507 2.060 ( -13.172 0.000 8.098) 15.462 2.246 ( -0.124 0.000 2.274) 2.277 2.314 ( 4.806 0.000 -16.256) 16.951 2.429 ( 0.015 0.000 -6.004) 6.004 2.488 ( -3.753 0.000 3.057) 4.840 2.580 ( 0.421 0.000 4.088) 4.109 2.621 ( 3.559 0.000 -3.140) 4.746 2.792 ( 0.712 0.000 -12.750) 12.770 2.916 ( -3.160 0.000 -15.590) 15.907 3.079 ( -4.966 0.000 0.995) 5.064 3.125 ( -2.516 0.000 -5.181) 5.759 3.247 ( -3.887 0.000 -7.365) 8.328 3.405 ( 0.593 0.000 -10.517) 10.533 3.424 ( -1.723 0.000 -1.055) 2.020 3.532 ( -0.858 0.000 1.636) 1.847 3.551 ( 4.236 0.000 3.436) 5.455 3.579 ( 6.616 0.000 -4.601) 8.059 3.718 ( -0.098 0.000 2.866) 2.868 3.786 ( 5.069 0.000 -3.084) 5.933 3.807 ( -4.529 0.000 7.342) 8.627 3.901 ( 4.305 0.000 -2.378) 4.918 4.030 ( 0.990 0.000 2.184) 2.398 4.100 ( -7.429 0.000 8.214) 11.075 4.266 ( 0.420 0.000 6.804) 6.817 4.298 ( -1.422 0.000 4.804) 5.010 4.451 ( 3.612 0.000 -0.045) 3.612 4.461 ( 2.161 0.000 -1.725) 2.765 4.573 ( -1.194 0.000 -5.495) 5.623 4.723 ( 0.066 0.000 -2.579) 2.579 4.756 ( 0.279 0.000 0.779) 0.828 4.777 ( 2.503 0.000 0.648) 2.586 4.892 ( 4.881 0.000 -3.605) 6.068 4.903 ( 4.511 0.000 -0.772) 4.577 5.001 ( 4.741 0.000 -5.112) 6.972 5.082 ( -1.530 0.000 1.546) 2.175 5.227 ( 2.610 0.000 0.112) 2.612 5.302 ( 4.030 0.000 5.708) 6.987 5.310 ( 2.675 0.000 4.325) 5.086 5.423 ( -1.157 0.000 2.121) 2.417 5.425 ( 3.180 0.000 3.731) 4.902 5.492 ( 0.435 0.000 2.349) 2.388 5.551 ( -1.096 0.000 -3.911) 4.062 5.560 ( 2.734 0.000 0.166) 2.739 5.587 ( 3.406 0.000 -3.917) 5.191 5.737 ( 0.590 0.000 0.866) 1.048 5.898 ( 1.204 0.000 0.546) 1.323 5.973 ( 2.651 0.000 -2.362) 3.551 6.008 ( 7.468 0.000 1.244) 7.571 6.071 ( 5.587 0.000 -3.535) 6.611 6.152 ( -0.296 0.000 5.682) 5.690 6.223 ( 0.437 0.000 1.078) 1.163 6.309 ( 1.048 0.000 -2.518) 2.728 6.435 ( 3.957 0.000 -3.609) 5.356 6.470 ( 7.568 0.000 -8.039) 11.041 6.482 ( 9.915 0.000 0.536) 9.930 6.617 ( -0.563 0.000 -5.205) 5.236 6.671 ( -11.485 0.000 -2.763) 11.813 7.004 ( 4.424 0.000 8.524) 9.604 7.307 ( 4.685 0.000 7.114) 8.519 7.474 ( -0.024 0.000 0.109) 0.111 7.530 ( -0.473 0.000 1.698) 1.763 7.720 ( 1.572 0.000 -1.241) 2.003 7.770 ( 5.174 0.000 2.452) 5.725 7.819 ( 1.514 0.000 -7.982) 8.124 8.018 ( 7.483 0.000 2.551) 7.906 8.164 ( 2.019 0.000 -7.113) 7.394 8.263 ( -1.578 0.000 0.544) 1.669 8.387 ( 0.544 0.000 -2.871) 2.922 8.472 ( 0.490 0.000 0.285) 0.567 8.633 ( 5.882 0.000 -1.832) 6.160 8.754 ( -4.167 0.000 2.416) 4.816 8.780 ( -3.576 0.000 4.624) 5.845 8.975 ( 3.831 0.000 6.016) 7.133 9.000 ( 2.649 0.000 6.645) 7.153 9.040 ( -2.139 0.000 -3.374) 3.995 9.183 ( -4.149 0.000 -1.815) 4.528 9.271 ( -1.657 0.000 0.387) 1.701 9.367 ( 3.520 0.000 2.871) 4.543 9.479 ( 3.261 0.000 -0.898) 3.382 9.565 ( 3.205 0.000 -12.054) 12.473 9.648 ( 3.471 0.000 -1.272) 3.697 9.854 ( 0.691 0.000 0.741) 1.013 9.902 ( 0.487 0.000 -4.093) 4.122 10.141 ( 2.401 0.000 -2.569) 3.516 10.151 ( -2.157 0.000 -0.240) 2.171 10.247 ( 0.362 0.000 5.144) 5.156 10.309 ( 0.790 0.000 0.756) 1.094 10.346 ( -1.498 0.000 4.937) 5.159 10.415 ( -3.723 0.000 1.118) 3.887 10.483 ( -0.768 0.000 4.409) 4.476 10.530 ( 0.940 0.000 0.530) 1.079 10.609 ( -1.213 0.000 5.400) 5.534 10.644 ( -3.584 0.000 5.765) 6.788 10.734 ( -1.398 0.000 0.269) 1.424 10.833 ( -3.093 0.000 -0.200) 3.099 10.880 ( 0.010 0.000 -1.219) 1.219 10.941 ( -1.701 0.000 0.349) 1.736 11.136 ( -8.840 0.000 -4.454) 9.898 11.320 ( -0.229 0.000 -6.469) 6.473 11.445 ( -3.604 0.000 0.609) 3.655 11.518 ( -0.347 0.000 -5.130) 5.142 11.683 ( -0.383 0.000 4.937) 4.952 11.884 ( 5.856 0.000 -2.260) 6.277 11.888 ( -3.887 0.000 -4.486) 5.936 12.149 ( 6.553 0.000 -2.880) 7.158 12.174 ( 0.186 0.000 -3.201) 3.206 12.603 ( 10.183 0.000 -3.637) 10.813 12.885 ( 11.301 0.000 0.866) 11.334 13.130 ( -2.712 0.000 -15.423) 15.660 13.448 ( -1.340 0.000 10.283) 10.370 13.641 ( -3.748 0.000 -0.407) 3.770 14.078 ( -4.355 0.000 -0.051) 4.355 14.241 ( 0.918 0.000 -0.504) 1.047 14.386 ( -4.783 0.000 9.353) 10.505 14.772 ( -10.947 0.000 10.720) 15.322 14.943 ( -6.897 0.000 -2.623) 7.379 15.404 ( -22.646 0.000 7.713) 23.924 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 28.829 0.000 -13.885) 31.998 1.349 ( 21.471 0.000 9.871) 23.631 1.749 ( -13.476 0.000 8.010) 15.677 1.951 ( 7.111 0.000 0.880) 7.165 2.166 ( 5.499 0.000 6.820) 8.761 2.282 ( -13.970 0.000 -1.722) 14.075 2.427 ( 4.791 0.000 -13.281) 14.119 2.526 ( 4.041 0.000 2.355) 4.678 2.624 ( 6.824 0.000 -0.272) 6.829 2.753 ( 9.490 0.000 -2.248) 9.753 2.842 ( -2.060 0.000 -4.143) 4.627 2.868 ( 6.872 0.000 -11.714) 13.580 2.881 ( -11.042 0.000 -3.917) 11.717 3.110 ( 0.397 0.000 -6.188) 6.201 3.310 ( 5.105 0.000 -6.782) 8.489 3.401 ( 1.019 0.000 2.768) 2.950 3.411 ( -1.051 0.000 -6.134) 6.224 3.467 ( -3.592 0.000 1.490) 3.889 3.593 ( -8.365 0.000 0.911) 8.415 3.640 ( 1.217 0.000 2.640) 2.907 3.701 ( -8.382 0.000 5.885) 10.242 3.723 ( 2.293 0.000 -0.898) 2.462 3.841 ( -2.719 0.000 -0.814) 2.838 3.912 ( 4.645 0.000 -1.793) 4.979 3.977 ( 2.165 0.000 1.630) 2.710 4.132 ( 1.798 0.000 6.208) 6.463 4.243 ( -2.971 0.000 8.241) 8.760 4.253 ( -1.493 0.000 7.780) 7.922 4.498 ( 1.566 0.000 -4.234) 4.514 4.527 ( 2.196 0.000 -0.090) 2.198 4.580 ( 0.818 0.000 -3.417) 3.513 4.711 ( -1.316 0.000 -3.559) 3.795 4.763 ( 0.782 0.000 2.105) 2.246 4.778 ( -5.734 0.000 -4.757) 7.450 4.949 ( 2.232 0.000 -1.864) 2.908 5.014 ( 5.040 0.000 -1.644) 5.301 5.073 ( 2.400 0.000 -2.291) 3.318 5.136 ( 4.437 0.000 -0.746) 4.500 5.285 ( 3.520 0.000 0.653) 3.580 5.330 ( -1.862 0.000 5.432) 5.742 5.345 ( 4.665 0.000 -1.489) 4.897 5.416 ( 0.855 0.000 6.831) 6.884 5.468 ( -1.710 0.000 5.231) 5.503 5.523 ( 2.454 0.000 2.626) 3.594 5.568 ( 2.493 0.000 -2.092) 3.254 5.679 ( 7.259 0.000 0.906) 7.315 5.725 ( 9.150 0.000 -5.597) 10.726 5.757 ( 2.809 0.000 1.000) 2.982 5.903 ( -0.974 0.000 -0.758) 1.234 6.038 ( 3.781 0.000 -2.662) 4.624 6.086 ( -3.689 0.000 0.797) 3.774 6.132 ( 1.688 0.000 -1.400) 2.192 6.178 ( 6.052 0.000 1.397) 6.211 6.291 ( 5.656 0.000 1.968) 5.989 6.294 ( -0.723 0.000 -0.899) 1.154 6.514 ( -0.867 0.000 0.016) 0.867 6.541 ( 4.856 0.000 -5.057) 7.011 6.641 ( 7.838 0.000 -6.400) 10.119 6.666 ( 7.416 0.000 -1.570) 7.580 6.754 ( 12.456 0.000 1.344) 12.529 7.105 ( 5.362 0.000 9.296) 10.732 7.406 ( 4.869 0.000 7.887) 9.269 7.513 ( 3.397 0.000 -1.327) 3.647 7.550 ( 3.008 0.000 1.967) 3.594 7.769 ( 3.245 0.000 0.979) 3.390 7.872 ( 3.779 0.000 -8.193) 9.023 7.882 ( 6.438 0.000 4.155) 7.663 8.163 ( 5.659 0.000 2.388) 6.142 8.259 ( 7.916 0.000 -8.525) 11.634 8.275 ( 1.635 0.000 2.012) 2.592 8.403 ( 0.412 0.000 -3.820) 3.842 8.519 ( 3.241 0.000 -3.129) 4.505 8.663 ( -2.821 0.000 2.157) 3.551 8.719 ( 0.661 0.000 3.154) 3.222 8.773 ( 1.816 0.000 0.480) 1.879 9.039 ( 0.393 0.000 -1.975) 2.014 9.070 ( 3.402 0.000 5.599) 6.552 9.093 ( 6.180 0.000 4.421) 7.598 9.151 ( 6.146 0.000 -2.848) 6.774 9.224 ( -2.388 0.000 0.746) 2.502 9.427 ( 2.790 0.000 0.100) 2.792 9.544 ( 2.572 0.000 -1.017) 2.765 9.580 ( -0.508 0.000 -8.630) 8.645 9.697 ( 1.560 0.000 1.242) 1.994 9.836 ( -2.791 0.000 0.157) 2.795 9.928 ( 1.330 0.000 -3.385) 3.637 10.090 ( -3.914 0.000 -0.129) 3.916 10.136 ( -2.128 0.000 1.408) 2.552 10.231 ( -3.614 0.000 2.513) 4.402 10.265 ( -4.463 0.000 2.123) 4.942 10.302 ( -5.907 0.000 2.055) 6.255 10.344 ( 1.419 0.000 1.365) 1.969 10.492 ( 1.118 0.000 5.068) 5.189 10.557 ( -3.313 0.000 2.210) 3.982 10.586 ( 3.081 0.000 -0.884) 3.205 10.608 ( -0.357 0.000 5.597) 5.609 10.669 ( -4.168 0.000 0.006) 4.168 10.793 ( -1.088 0.000 0.193) 1.105 10.884 ( 0.662 0.000 -2.017) 2.123 10.886 ( -4.595 0.000 -2.500) 5.231 11.011 ( -2.877 0.000 0.337) 2.897 11.263 ( -3.735 0.000 -4.908) 6.167 11.343 ( -6.842 0.000 0.285) 6.848 11.410 ( -9.491 0.000 -5.774) 11.109 11.687 ( 1.259 0.000 5.347) 5.494 11.823 ( -2.500 0.000 -6.725) 7.174 12.004 ( 3.627 0.000 -7.467) 8.301 12.096 ( -6.453 0.000 4.632) 7.943 12.338 ( 10.715 0.000 -2.780) 11.070 12.648 ( -0.262 0.000 3.310) 3.321 13.040 ( -4.898 0.000 -10.904) 11.954 13.162 ( 13.839 0.000 10.185) 17.183 13.413 ( -1.832 0.000 14.567) 14.682 13.662 ( 2.216 0.000 -12.152) 12.352 13.913 ( -13.044 0.000 3.253) 13.444 14.257 ( 0.446 0.000 -0.875) 0.982 14.289 ( -3.864 0.000 6.171) 7.281 14.519 ( -11.811 0.000 5.813) 13.164 14.795 ( -8.886 0.000 -5.030) 10.211 15.021 ( -13.776 0.000 -1.658) 13.876 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -9.615 0.000 1.389) 9.715 1.630 ( 27.438 0.000 -19.297) 33.545 1.722 ( -15.072 0.000 -1.147) 15.116 1.897 ( 15.726 0.000 4.592) 16.382 1.984 ( -9.799 0.000 0.937) 9.843 2.400 ( 4.153 0.000 -7.114) 8.237 2.488 ( 1.812 0.000 -9.479) 9.651 2.622 ( 8.219 0.000 -1.859) 8.427 2.703 ( -5.432 0.000 -4.517) 7.064 2.804 ( 7.810 0.000 -2.064) 8.079 2.886 ( 5.459 0.000 -2.379) 5.955 2.920 ( 4.635 0.000 0.097) 4.636 3.083 ( 12.670 0.000 -3.468) 13.136 3.136 ( 2.300 0.000 -3.724) 4.377 3.218 ( -12.302 0.000 -5.437) 13.450 3.269 ( -13.206 0.000 2.937) 13.529 3.406 ( -4.163 0.000 3.139) 5.214 3.465 ( -4.797 0.000 8.177) 9.480 3.481 ( 2.583 0.000 2.715) 3.748 3.555 ( -0.337 0.000 -4.130) 4.143 3.560 ( -0.294 0.000 1.053) 1.093 3.764 ( -0.883 0.000 8.719) 8.763 3.907 ( -2.013 0.000 2.155) 2.949 3.941 ( 6.787 0.000 -0.187) 6.790 4.040 ( -4.157 0.000 5.916) 7.231 4.136 ( 7.931 0.000 -2.155) 8.219 4.231 ( -1.150 0.000 5.122) 5.249 4.240 ( -0.058 0.000 7.225) 7.225 4.495 ( -5.573 0.000 0.644) 5.610 4.513 ( -1.433 0.000 -3.995) 4.244 4.545 ( -12.324 0.000 0.380) 12.330 4.597 ( 1.833 0.000 -3.294) 3.769 4.692 ( -0.902 0.000 -5.535) 5.608 4.802 ( 3.368 0.000 1.148) 3.558 4.972 ( 0.468 0.000 -9.871) 9.882 5.016 ( -4.465 0.000 -2.965) 5.360 5.169 ( 3.852 0.000 -2.210) 4.441 5.190 ( 3.816 0.000 1.925) 4.274 5.294 ( -1.163 0.000 5.981) 6.093 5.313 ( 1.443 0.000 4.333) 4.567 5.431 ( -0.254 0.000 4.667) 4.674 5.453 ( 3.037 0.000 8.206) 8.751 5.559 ( 6.813 0.000 -3.112) 7.490 5.599 ( 7.325 0.000 -2.280) 7.671 5.624 ( 2.986 0.000 -0.476) 3.024 5.688 ( -2.151 0.000 1.475) 2.608 5.838 ( -5.234 0.000 0.447) 5.253 5.915 ( 8.133 0.000 -3.874) 9.009 5.929 ( 8.554 0.000 -0.357) 8.561 6.032 ( 0.038 0.000 1.189) 1.189 6.104 ( -2.574 0.000 -2.059) 3.296 6.160 ( 6.395 0.000 -2.900) 7.022 6.252 ( 1.214 0.000 0.157) 1.224 6.321 ( 1.642 0.000 0.646) 1.764 6.411 ( 5.268 0.000 1.745) 5.549 6.484 ( -0.970 0.000 -4.399) 4.505 6.669 ( 4.584 0.000 -4.616) 6.505 6.785 ( 5.334 0.000 0.050) 5.335 6.835 ( 8.366 0.000 -1.590) 8.516 6.966 ( 7.028 0.000 0.881) 7.083 7.224 ( 5.155 0.000 11.886) 12.956 7.501 ( 3.729 0.000 8.163) 8.975 7.591 ( 3.843 0.000 -1.348) 4.073 7.687 ( 10.809 0.000 2.145) 11.019 7.841 ( 2.854 0.000 1.276) 3.126 7.987 ( 7.954 0.000 -4.520) 9.148 8.070 ( 12.522 0.000 3.585) 13.025 8.251 ( 2.628 0.000 0.036) 2.628 8.305 ( 0.460 0.000 0.458) 0.649 8.408 ( 0.782 0.000 0.542) 0.952 8.454 ( 10.656 0.000 -8.964) 13.925 8.565 ( 0.903 0.000 -3.952) 4.054 8.630 ( 0.065 0.000 3.778) 3.778 8.750 ( -3.127 0.000 -0.947) 3.267 8.760 ( 2.090 0.000 2.369) 3.159 9.068 ( 2.301 0.000 -0.421) 2.339 9.117 ( 2.188 0.000 2.479) 3.306 9.179 ( 0.645 0.000 -2.214) 2.306 9.273 ( 8.392 0.000 3.580) 9.124 9.385 ( 12.502 0.000 0.651) 12.519 9.485 ( 2.861 0.000 0.003) 2.861 9.554 ( -1.818 0.000 -5.281) 5.585 9.561 ( -2.221 0.000 -1.368) 2.609 9.719 ( 0.370 0.000 4.665) 4.680 9.771 ( -1.595 0.000 -4.241) 4.531 9.909 ( -3.464 0.000 -1.956) 3.979 9.974 ( -6.007 0.000 -0.340) 6.016 10.049 ( -11.578 0.000 4.787) 12.529 10.108 ( -0.551 0.000 4.638) 4.671 10.207 ( -1.862 0.000 0.807) 2.029 10.249 ( -0.356 0.000 -0.436) 0.563 10.355 ( -0.608 0.000 0.902) 1.088 10.494 ( -2.536 0.000 0.606) 2.608 10.514 ( 0.519 0.000 2.691) 2.741 10.526 ( -5.793 0.000 3.713) 6.881 10.605 ( -0.495 0.000 3.180) 3.219 10.687 ( 1.790 0.000 -5.247) 5.544 10.778 ( -4.777 0.000 0.113) 4.778 10.792 ( 2.231 0.000 -0.751) 2.354 10.901 ( 1.116 0.000 -5.268) 5.385 10.987 ( -0.805 0.000 0.979) 1.267 11.155 ( -8.255 0.000 2.715) 8.689 11.181 ( -10.820 0.000 -4.423) 11.689 11.221 ( -2.413 0.000 -2.249) 3.298 11.742 ( 3.228 0.000 1.820) 3.706 11.756 ( -4.303 0.000 -7.713) 8.832 11.961 ( -5.865 0.000 5.392) 7.967 11.988 ( -3.882 0.000 -11.429) 12.070 12.533 ( 7.152 0.000 0.412) 7.164 12.675 ( 3.277 0.000 1.764) 3.722 12.978 ( 0.160 0.000 -6.267) 6.269 13.362 ( -6.851 0.000 21.886) 22.933 13.399 ( 7.669 0.000 11.156) 13.538 13.576 ( -14.859 0.000 1.268) 14.913 13.651 ( -3.736 0.000 -8.744) 9.509 14.247 ( -0.600 0.000 3.139) 3.196 14.251 ( -0.902 0.000 -1.781) 1.996 14.337 ( -6.048 0.000 2.509) 6.548 14.600 ( -6.486 0.000 -3.990) 7.615 14.860 ( -3.847 0.000 -10.416) 11.104 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.668 0.000 -3.258) 3.326 1.486 ( -6.116 0.000 -0.693) 6.155 1.729 ( -8.375 0.000 -3.560) 9.100 2.140 ( 19.798 0.000 -24.122) 31.206 2.209 ( 3.851 0.000 3.142) 4.970 2.390 ( -1.720 0.000 -7.858) 8.044 2.581 ( 9.861 0.000 0.676) 9.884 2.636 ( -2.692 0.000 -7.362) 7.839 2.732 ( -0.176 0.000 -5.889) 5.891 2.898 ( 2.120 0.000 -3.973) 4.504 2.904 ( -5.787 0.000 -3.347) 6.686 3.003 ( -9.056 0.000 1.366) 9.159 3.013 ( 3.700 0.000 1.364) 3.943 3.083 ( 1.670 0.000 -0.610) 1.778 3.151 ( 2.924 0.000 -2.120) 3.611 3.272 ( -10.060 0.000 7.159) 12.347 3.287 ( 5.098 0.000 0.490) 5.122 3.422 ( 4.987 0.000 3.198) 5.924 3.463 ( 1.125 0.000 0.848) 1.409 3.571 ( 0.616 0.000 -0.401) 0.735 3.672 ( -9.317 0.000 12.309) 15.437 3.743 ( 6.970 0.000 2.497) 7.404 3.859 ( -0.019 0.000 -4.796) 4.796 3.914 ( 1.790 0.000 1.558) 2.373 4.064 ( -9.356 0.000 0.841) 9.394 4.133 ( -5.362 0.000 4.566) 7.043 4.163 ( -2.258 0.000 3.670) 4.309 4.298 ( 3.040 0.000 3.010) 4.278 4.396 ( 1.215 0.000 3.154) 3.380 4.426 ( -5.776 0.000 -0.572) 5.804 4.427 ( -2.243 0.000 5.865) 6.279 4.636 ( 0.821 0.000 -0.433) 0.928 4.733 ( 7.064 0.000 -5.708) 9.082 4.913 ( 5.758 0.000 -6.222) 8.478 4.953 ( 0.546 0.000 -2.686) 2.741 4.993 ( 1.825 0.000 -8.844) 9.030 5.203 ( 0.913 0.000 -2.879) 3.020 5.257 ( 2.122 0.000 2.746) 3.470 5.273 ( -0.919 0.000 6.938) 6.999 5.334 ( -0.782 0.000 3.634) 3.717 5.444 ( 0.871 0.000 4.732) 4.811 5.518 ( 1.660 0.000 5.581) 5.822 5.562 ( -3.394 0.000 -4.833) 5.906 5.657 ( 0.178 0.000 3.234) 3.239 5.682 ( -1.232 0.000 3.634) 3.837 5.723 ( -1.768 0.000 -1.619) 2.397 5.735 ( 1.856 0.000 -0.778) 2.012 5.988 ( -1.161 0.000 -1.136) 1.624 6.026 ( 1.251 0.000 -3.823) 4.022 6.088 ( 4.137 0.000 -1.048) 4.267 6.110 ( 3.836 0.000 -3.401) 5.126 6.256 ( -0.781 0.000 2.976) 3.077 6.278 ( 4.253 0.000 -0.676) 4.307 6.325 ( -0.925 0.000 0.185) 0.943 6.474 ( 0.516 0.000 -5.688) 5.711 6.483 ( 1.345 0.000 1.088) 1.730 6.708 ( -0.207 0.000 -6.405) 6.408 6.845 ( 0.920 0.000 3.138) 3.270 6.969 ( 4.009 0.000 -2.179) 4.562 7.040 ( 0.704 0.000 0.501) 0.865 7.286 ( 0.580 0.000 12.369) 12.382 7.537 ( -0.749 0.000 7.136) 7.175 7.660 ( 2.791 0.000 -0.422) 2.823 7.868 ( -0.086 0.000 -0.551) 0.558 7.926 ( 8.308 0.000 1.240) 8.400 8.157 ( 6.730 0.000 0.566) 6.754 8.258 ( -1.575 0.000 -1.017) 1.875 8.275 ( -0.940 0.000 -1.277) 1.585 8.358 ( 8.069 0.000 4.444) 9.212 8.465 ( 7.380 0.000 1.749) 7.585 8.552 ( -1.240 0.000 -0.850) 1.503 8.625 ( 0.849 0.000 -2.622) 2.756 8.661 ( 2.358 0.000 4.014) 4.655 8.730 ( 6.023 0.000 -9.194) 10.991 8.790 ( 1.363 0.000 2.197) 2.585 9.101 ( 0.695 0.000 0.010) 0.695 9.158 ( 1.297 0.000 3.246) 3.496 9.193 ( 0.046 0.000 -2.288) 2.288 9.387 ( 0.999 0.000 -4.136) 4.255 9.413 ( -10.139 0.000 0.400) 10.146 9.509 ( -0.372 0.000 1.107) 1.168 9.536 ( -0.109 0.000 1.087) 1.093 9.591 ( 6.135 0.000 3.281) 6.957 9.746 ( 0.788 0.000 1.024) 1.293 9.806 ( -1.392 0.000 -1.336) 1.929 9.806 ( 0.754 0.000 -1.975) 2.114 9.847 ( -5.005 0.000 1.971) 5.380 9.935 ( 1.701 0.000 -2.123) 2.720 10.071 ( -3.080 0.000 3.863) 4.940 10.151 ( -3.674 0.000 1.758) 4.073 10.279 ( 2.295 0.000 -0.662) 2.389 10.306 ( -3.497 0.000 -2.461) 4.276 10.460 ( -0.958 0.000 4.517) 4.618 10.460 ( -0.723 0.000 0.015) 0.723 10.529 ( 1.034 0.000 0.774) 1.291 10.578 ( -0.693 0.000 0.669) 0.963 10.646 ( -3.111 0.000 -4.304) 5.311 10.699 ( -2.865 0.000 4.054) 4.964 10.850 ( 0.483 0.000 0.127) 0.499 10.939 ( -3.042 0.000 -2.120) 3.708 10.966 ( 4.276 0.000 -7.182) 8.359 11.000 ( -4.705 0.000 -3.390) 5.800 11.060 ( -0.905 0.000 1.353) 1.628 11.234 ( 4.212 0.000 6.268) 7.552 11.656 ( -4.684 0.000 -7.595) 8.923 11.710 ( -6.707 0.000 -10.064) 12.094 11.880 ( -1.760 0.000 2.364) 2.948 12.010 ( 8.371 0.000 -1.449) 8.496 12.610 ( 0.554 0.000 -0.243) 0.605 12.757 ( 3.114 0.000 -2.228) 3.829 13.022 ( -18.838 0.000 7.605) 20.315 13.052 ( 4.701 0.000 4.659) 6.619 13.376 ( -10.070 0.000 10.666) 14.668 13.488 ( 1.345 0.000 8.328) 8.436 13.623 ( 4.283 0.000 -6.422) 7.720 14.245 ( 0.678 0.000 -0.452) 0.815 14.249 ( 0.065 0.000 2.890) 2.891 14.260 ( -1.342 0.000 1.672) 2.143 14.559 ( 0.535 0.000 -4.888) 4.917 14.817 ( 0.030 0.000 -11.224) 11.224 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 7.768 0.000 -0.619) 7.792 1.515 ( 8.755 0.000 -0.443) 8.766 1.634 ( -0.143 0.000 -5.463) 5.465 2.061 ( -18.237 0.000 -18.225) 25.782 2.140 ( -5.022 0.000 -1.720) 5.309 2.421 ( -16.583 0.000 -5.165) 17.369 2.626 ( 11.742 0.000 -10.120) 15.501 2.682 ( -0.517 0.000 -5.830) 5.853 2.812 ( 6.410 0.000 1.360) 6.553 2.831 ( -4.784 0.000 -2.412) 5.357 2.924 ( 2.590 0.000 -4.827) 5.478 2.978 ( 5.222 0.000 -7.681) 9.288 3.028 ( -1.821 0.000 4.649) 4.992 3.100 ( 5.606 0.000 5.623) 7.940 3.231 ( -0.454 0.000 -1.415) 1.486 3.238 ( 8.161 0.000 4.101) 9.134 3.375 ( -2.332 0.000 0.984) 2.531 3.392 ( -1.214 0.000 -3.594) 3.793 3.445 ( -10.475 0.000 7.655) 12.974 3.537 ( 0.442 0.000 8.963) 8.974 3.645 ( 9.625 0.000 2.394) 9.918 3.741 ( -7.827 0.000 5.138) 9.363 3.853 ( 0.149 0.000 -3.448) 3.452 3.937 ( -0.083 0.000 0.854) 0.858 3.944 ( -0.942 0.000 0.073) 0.945 4.126 ( 4.468 0.000 -1.430) 4.691 4.150 ( 1.912 0.000 2.341) 3.023 4.294 ( -4.226 0.000 4.304) 6.032 4.335 ( -4.755 0.000 1.869) 5.109 4.338 ( -1.248 0.000 -4.370) 4.544 4.494 ( 7.496 0.000 7.632) 10.697 4.636 ( -0.053 0.000 0.869) 0.870 4.903 ( 5.183 0.000 -0.894) 5.260 4.911 ( -1.795 0.000 -3.843) 4.242 5.032 ( 2.096 0.000 -6.093) 6.444 5.082 ( 5.645 0.000 -3.775) 6.791 5.219 ( -0.629 0.000 -0.708) 0.947 5.253 ( -1.201 0.000 4.724) 4.875 5.273 ( -0.602 0.000 4.178) 4.221 5.316 ( 1.015 0.000 2.403) 2.608 5.457 ( -0.710 0.000 5.660) 5.704 5.494 ( -1.471 0.000 -4.129) 4.383 5.494 ( -5.563 0.000 3.098) 6.368 5.612 ( -0.816 0.000 3.740) 3.828 5.643 ( -1.454 0.000 1.209) 1.891 5.727 ( -0.231 0.000 -3.519) 3.527 5.729 ( -1.359 0.000 0.232) 1.379 5.982 ( 1.112 0.000 -0.054) 1.114 5.986 ( -5.375 0.000 -2.526) 5.939 6.124 ( -1.638 0.000 -2.523) 3.008 6.168 ( 1.013 0.000 -5.509) 5.601 6.217 ( -2.959 0.000 2.809) 4.080 6.296 ( -1.582 0.000 0.819) 1.781 6.315 ( -0.302 0.000 0.406) 0.506 6.462 ( -3.176 0.000 0.386) 3.199 6.519 ( 3.660 0.000 -4.720) 5.973 6.679 ( -2.138 0.000 -6.712) 7.045 6.837 ( -1.796 0.000 3.955) 4.344 6.981 ( -3.313 0.000 -2.803) 4.339 7.011 ( -3.224 0.000 0.248) 3.234 7.264 ( -2.746 0.000 11.465) 11.789 7.471 ( -5.753 0.000 4.491) 7.298 7.696 ( 0.433 0.000 0.694) 0.818 7.844 ( -1.943 0.000 -0.380) 1.979 7.906 ( -8.571 0.000 0.261) 8.575 8.173 ( -3.657 0.000 -0.051) 3.657 8.224 ( -4.680 0.000 -1.860) 5.036 8.236 ( -2.148 0.000 -0.679) 2.253 8.342 ( -6.793 0.000 2.354) 7.190 8.545 ( 2.686 0.000 8.957) 9.351 8.572 ( -3.351 0.000 -0.395) 3.374 8.682 ( 5.798 0.000 2.433) 6.288 8.719 ( 3.151 0.000 2.247) 3.870 8.818 ( 0.724 0.000 0.491) 0.875 8.839 ( -0.578 0.000 -10.214) 10.231 9.072 ( -3.721 0.000 0.911) 3.831 9.143 ( -1.725 0.000 1.409) 2.227 9.204 ( 2.622 0.000 -3.139) 4.091 9.272 ( -2.560 0.000 -1.001) 2.749 9.357 ( -3.662 0.000 -1.463) 3.943 9.482 ( -2.643 0.000 -0.395) 2.672 9.543 ( 1.972 0.000 2.975) 3.569 9.635 ( -1.679 0.000 2.024) 2.629 9.710 ( 0.624 0.000 3.559) 3.614 9.741 ( -1.075 0.000 -1.465) 1.817 9.808 ( 0.106 0.000 -5.876) 5.877 9.934 ( 2.201 0.000 1.013) 2.423 9.944 ( -1.658 0.000 -0.125) 1.663 10.019 ( -1.439 0.000 2.027) 2.486 10.143 ( 6.116 0.000 0.796) 6.168 10.251 ( -1.651 0.000 -3.980) 4.309 10.313 ( 1.323 0.000 0.414) 1.386 10.438 ( -0.315 0.000 3.347) 3.362 10.465 ( 2.891 0.000 0.341) 2.911 10.547 ( 0.492 0.000 0.755) 0.901 10.596 ( -1.302 0.000 5.075) 5.239 10.640 ( 1.201 0.000 -4.375) 4.537 10.740 ( 8.711 0.000 3.294) 9.313 10.799 ( -4.375 0.000 -5.339) 6.903 10.902 ( -0.747 0.000 -1.284) 1.486 10.943 ( -0.104 0.000 0.546) 0.556 11.071 ( 6.009 0.000 0.552) 6.034 11.080 ( 2.426 0.000 -0.597) 2.498 11.353 ( 3.590 0.000 2.794) 4.550 11.584 ( -1.798 0.000 -6.532) 6.774 11.599 ( -1.711 0.000 -11.390) 11.518 11.899 ( 3.373 0.000 -0.511) 3.411 12.259 ( 14.669 0.000 4.796) 15.433 12.570 ( -4.747 0.000 -4.845) 6.783 12.692 ( -10.054 0.000 3.690) 10.710 12.733 ( -5.577 0.000 -5.829) 8.067 13.134 ( 0.109 0.000 9.208) 9.208 13.171 ( -8.917 0.000 4.254) 9.880 13.596 ( 10.169 0.000 7.060) 12.379 13.770 ( 9.617 0.000 0.156) 9.618 14.237 ( -0.198 0.000 2.618) 2.626 14.274 ( 1.917 0.000 1.309) 2.321 14.280 ( 1.932 0.000 2.639) 3.270 14.556 ( -0.420 0.000 -5.190) 5.207 14.867 ( 4.627 0.000 -9.706) 10.752 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.415 0.000 5.901) 6.376 1.547 ( -23.582 0.000 -14.112) 27.482 1.740 ( 2.057 0.000 -8.301) 8.552 1.848 ( 15.575 0.000 -1.756) 15.674 1.929 ( -12.224 0.000 5.590) 13.442 2.293 ( 7.890 0.000 -16.117) 17.944 2.571 ( -7.236 0.000 0.992) 7.303 2.649 ( -8.140 0.000 -7.913) 11.352 2.679 ( -10.477 0.000 -1.245) 10.551 2.893 ( 3.013 0.000 -2.954) 4.219 2.931 ( -6.285 0.000 10.055) 11.857 3.051 ( -0.613 0.000 -10.025) 10.044 3.114 ( -2.431 0.000 1.064) 2.653 3.134 ( 8.720 0.000 -3.006) 9.224 3.182 ( -9.243 0.000 -6.474) 11.285 3.282 ( -3.921 0.000 3.259) 5.099 3.344 ( 11.181 0.000 5.101) 12.290 3.386 ( 2.564 0.000 5.102) 5.710 3.477 ( -3.390 0.000 1.672) 3.780 3.579 ( 0.941 0.000 -6.660) 6.726 3.624 ( 11.865 0.000 5.498) 13.077 3.792 ( 3.617 0.000 6.863) 7.757 3.900 ( -3.537 0.000 -0.143) 3.540 3.926 ( 1.978 0.000 2.533) 3.214 3.955 ( 3.884 0.000 3.656) 5.334 4.169 ( -1.051 0.000 -1.037) 1.476 4.183 ( -3.558 0.000 2.055) 4.108 4.235 ( -0.454 0.000 4.013) 4.039 4.291 ( 2.910 0.000 -4.403) 5.278 4.340 ( 3.589 0.000 -6.852) 7.735 4.662 ( 2.756 0.000 2.298) 3.589 4.712 ( 11.362 0.000 5.668) 12.697 4.856 ( -3.201 0.000 -2.665) 4.165 4.917 ( -1.964 0.000 0.900) 2.160 5.073 ( 1.203 0.000 -6.013) 6.132 5.124 ( -0.761 0.000 -0.344) 0.835 5.164 ( -4.423 0.000 -0.245) 4.429 5.191 ( -4.373 0.000 2.234) 4.911 5.276 ( 0.229 0.000 2.022) 2.035 5.287 ( -7.929 0.000 3.103) 8.515 5.382 ( -0.252 0.000 4.181) 4.189 5.406 ( -3.418 0.000 -0.725) 3.494 5.505 ( 0.678 0.000 3.688) 3.750 5.584 ( -2.227 0.000 0.263) 2.242 5.601 ( -3.517 0.000 1.582) 3.856 5.704 ( -1.024 0.000 0.301) 1.068 5.810 ( 6.530 0.000 -2.260) 6.910 5.818 ( -9.280 0.000 -2.435) 9.594 5.996 ( -0.885 0.000 1.028) 1.357 6.026 ( -6.348 0.000 -1.051) 6.434 6.122 ( -4.813 0.000 -4.522) 6.604 6.158 ( -2.818 0.000 -1.968) 3.437 6.279 ( -0.007 0.000 -1.747) 1.747 6.287 ( -2.164 0.000 1.138) 2.445 6.370 ( -5.451 0.000 0.124) 5.452 6.559 ( -2.792 0.000 -2.486) 3.738 6.645 ( 0.753 0.000 -7.819) 7.855 6.764 ( -5.740 0.000 3.961) 6.974 6.847 ( -8.570 0.000 -2.163) 8.839 6.894 ( -8.714 0.000 -1.285) 8.808 7.186 ( -4.656 0.000 9.979) 11.012 7.316 ( -8.287 0.000 3.466) 8.983 7.674 ( -2.368 0.000 1.644) 2.883 7.705 ( -8.798 0.000 0.565) 8.816 7.805 ( -1.594 0.000 0.629) 1.714 8.045 ( -10.762 0.000 1.549) 10.873 8.097 ( -3.390 0.000 -1.306) 3.633 8.131 ( -6.641 0.000 -1.411) 6.789 8.251 ( -1.526 0.000 3.441) 3.764 8.476 ( -7.707 0.000 -5.495) 9.465 8.555 ( -2.076 0.000 8.044) 8.308 8.674 ( -8.031 0.000 -4.791) 9.352 8.695 ( -2.871 0.000 -0.196) 2.878 8.803 ( 2.052 0.000 4.903) 5.315 8.842 ( 1.951 0.000 -0.312) 1.976 9.045 ( -0.290 0.000 -3.175) 3.188 9.113 ( -1.455 0.000 0.023) 1.455 9.176 ( -7.694 0.000 0.134) 7.695 9.188 ( -4.968 0.000 -0.267) 4.975 9.309 ( 0.540 0.000 4.683) 4.714 9.455 ( -7.044 0.000 -0.542) 7.065 9.473 ( 1.141 0.000 -3.411) 3.596 9.692 ( -3.489 0.000 -1.436) 3.773 9.717 ( 7.897 0.000 3.584) 8.672 9.793 ( 0.662 0.000 -7.200) 7.230 9.859 ( 8.689 0.000 -1.657) 8.845 9.880 ( -3.215 0.000 1.421) 3.515 10.008 ( 5.970 0.000 2.467) 6.459 10.022 ( 1.635 0.000 -0.762) 1.804 10.242 ( 1.500 0.000 1.269) 1.965 10.297 ( 4.577 0.000 -0.926) 4.670 10.329 ( -0.311 0.000 1.541) 1.572 10.493 ( 6.427 0.000 1.572) 6.617 10.534 ( 0.819 0.000 4.512) 4.586 10.559 ( 0.972 0.000 1.260) 1.592 10.595 ( 3.622 0.000 7.488) 8.318 10.611 ( -4.151 0.000 -5.095) 6.572 10.738 ( -0.604 0.000 -2.871) 2.934 10.861 ( 0.316 0.000 1.475) 1.508 10.949 ( 0.232 0.000 -0.135) 0.268 10.972 ( 8.497 0.000 2.521) 8.863 11.165 ( 5.675 0.000 -9.344) 10.932 11.228 ( 6.388 0.000 2.901) 7.016 11.352 ( 0.202 0.000 -5.858) 5.862 11.592 ( 2.771 0.000 -3.206) 4.238 11.601 ( -0.070 0.000 -1.438) 1.440 11.987 ( 4.071 0.000 -1.105) 4.218 12.364 ( -10.549 0.000 0.212) 10.551 12.602 ( -4.831 0.000 -7.379) 8.820 12.604 ( 13.705 0.000 5.004) 14.590 12.656 ( 3.955 0.000 -7.220) 8.232 12.965 ( -12.440 0.000 -0.847) 12.468 13.064 ( -4.770 0.000 7.712) 9.068 13.883 ( 15.494 0.000 7.774) 17.335 13.970 ( 8.225 0.000 3.995) 9.144 14.245 ( 1.176 0.000 4.636) 4.783 14.297 ( -0.549 0.000 1.183) 1.304 14.346 ( 4.992 0.000 2.758) 5.703 14.621 ( 8.900 0.000 -3.920) 9.725 14.977 ( 6.159 0.000 -7.415) 9.639 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -27.853 0.000 -11.808) 30.252 1.335 ( -25.908 0.000 9.469) 27.584 1.602 ( 9.842 0.000 0.548) 9.857 2.104 ( 14.459 0.000 -6.297) 15.771 2.136 ( -16.142 0.000 10.973) 19.518 2.242 ( -0.502 0.000 6.419) 6.438 2.363 ( -3.350 0.000 -15.214) 15.578 2.505 ( -3.759 0.000 2.109) 4.310 2.706 ( 13.791 0.000 -10.172) 17.137 2.751 ( -8.905 0.000 6.864) 11.243 2.847 ( -12.446 0.000 -5.637) 13.663 2.941 ( 1.443 0.000 -5.303) 5.496 3.071 ( -2.075 0.000 -0.903) 2.263 3.178 ( 1.672 0.000 -6.568) 6.777 3.230 ( -1.406 0.000 -1.730) 2.229 3.298 ( 6.698 0.000 -2.093) 7.018 3.335 ( -4.619 0.000 -5.686) 7.326 3.363 ( -0.914 0.000 3.628) 3.741 3.541 ( 4.979 0.000 0.073) 4.980 3.749 ( 10.539 0.000 -7.977) 13.218 3.753 ( -3.204 0.000 0.985) 3.352 3.826 ( 0.155 0.000 0.876) 0.889 3.924 ( -0.138 0.000 5.137) 5.139 3.940 ( 7.074 0.000 6.136) 9.364 4.072 ( 1.983 0.000 4.720) 5.120 4.115 ( -0.407 0.000 0.826) 0.920 4.117 ( -0.223 0.000 1.970) 1.983 4.145 ( -6.421 0.000 4.196) 7.671 4.410 ( 6.191 0.000 -6.851) 9.234 4.437 ( 3.883 0.000 -0.650) 3.937 4.695 ( -2.219 0.000 0.673) 2.319 4.808 ( -3.854 0.000 3.808) 5.418 4.812 ( -0.192 0.000 2.275) 2.284 4.920 ( 2.613 0.000 -4.102) 4.864 4.993 ( -8.132 0.000 2.311) 8.454 5.069 ( -4.617 0.000 -6.654) 8.099 5.094 ( -1.865 0.000 -0.620) 1.965 5.119 ( -3.154 0.000 8.181) 8.768 5.199 ( 0.707 0.000 -1.875) 2.004 5.235 ( -5.927 0.000 -4.076) 7.193 5.309 ( -3.155 0.000 -0.231) 3.164 5.388 ( 0.353 0.000 5.264) 5.276 5.502 ( -1.101 0.000 4.312) 4.450 5.524 ( -2.032 0.000 1.898) 2.781 5.555 ( -0.471 0.000 -0.509) 0.694 5.631 ( -6.231 0.000 1.668) 6.450 5.697 ( -2.516 0.000 -0.789) 2.637 5.870 ( -2.206 0.000 -3.110) 3.813 5.906 ( -7.326 0.000 2.162) 7.638 5.966 ( 1.609 0.000 -0.611) 1.721 6.016 ( -3.849 0.000 -0.449) 3.875 6.126 ( -0.606 0.000 -3.939) 3.985 6.242 ( -6.445 0.000 -0.019) 6.445 6.245 ( -2.219 0.000 1.777) 2.843 6.281 ( -0.608 0.000 -6.862) 6.889 6.423 ( -8.705 0.000 -2.513) 9.060 6.582 ( -8.436 0.000 -0.482) 8.449 6.646 ( -11.611 0.000 -3.182) 12.040 6.699 ( 1.350 0.000 -5.342) 5.510 6.705 ( -6.615 0.000 -0.330) 6.623 7.099 ( -3.327 0.000 7.856) 8.531 7.195 ( -3.130 0.000 5.672) 6.478 7.577 ( -3.831 0.000 -0.043) 3.832 7.617 ( -2.796 0.000 2.893) 4.024 7.776 ( -1.571 0.000 0.152) 1.579 7.860 ( -7.155 0.000 2.451) 7.563 7.991 ( -5.943 0.000 -1.439) 6.115 8.039 ( -3.771 0.000 -2.332) 4.434 8.262 ( -10.022 0.000 -9.598) 13.877 8.264 ( 2.716 0.000 5.267) 5.926 8.492 ( -3.516 0.000 4.071) 5.379 8.568 ( -2.801 0.000 -2.229) 3.580 8.619 ( -3.903 0.000 0.451) 3.929 8.810 ( -1.319 0.000 2.011) 2.405 8.893 ( 2.835 0.000 0.814) 2.950 8.984 ( -4.232 0.000 1.787) 4.594 9.045 ( -3.230 0.000 3.762) 4.958 9.126 ( 0.291 0.000 -3.510) 3.522 9.152 ( 3.144 0.000 3.099) 4.415 9.240 ( -6.158 0.000 0.066) 6.159 9.376 ( -1.427 0.000 3.869) 4.124 9.492 ( 0.463 0.000 -6.217) 6.234 9.620 ( -3.369 0.000 0.959) 3.503 9.758 ( -3.816 0.000 -12.727) 13.287 9.827 ( -1.765 0.000 0.285) 1.788 9.869 ( 5.577 0.000 2.704) 6.198 10.032 ( 6.129 0.000 -0.630) 6.162 10.097 ( 6.748 0.000 -1.800) 6.984 10.139 ( 5.384 0.000 1.572) 5.609 10.286 ( -3.783 0.000 2.719) 4.659 10.291 ( 1.885 0.000 2.768) 3.349 10.327 ( 0.098 0.000 0.885) 0.891 10.528 ( -2.343 0.000 -1.150) 2.611 10.560 ( 1.885 0.000 5.807) 6.106 10.580 ( 1.255 0.000 2.513) 2.808 10.660 ( 7.865 0.000 0.859) 7.912 10.684 ( 3.898 0.000 6.273) 7.386 10.749 ( 1.255 0.000 -1.346) 1.840 10.864 ( 1.022 0.000 3.889) 4.021 10.948 ( -0.206 0.000 -0.929) 0.951 11.146 ( 7.871 0.000 3.288) 8.530 11.208 ( -4.298 0.000 -7.235) 8.415 11.250 ( 2.035 0.000 -14.685) 14.825 11.481 ( 8.057 0.000 -0.326) 8.064 11.602 ( 1.019 0.000 2.558) 2.754 11.678 ( 4.141 0.000 -0.916) 4.241 12.031 ( 0.474 0.000 0.137) 0.493 12.109 ( -13.302 0.000 -1.757) 13.418 12.569 ( -1.121 0.000 -12.908) 12.957 12.608 ( -10.568 0.000 7.978) 13.241 12.667 ( -13.153 0.000 1.145) 13.203 12.853 ( 10.085 0.000 -10.569) 14.608 13.120 ( 10.410 0.000 2.829) 10.788 14.083 ( 2.933 0.000 3.223) 4.358 14.115 ( 5.193 0.000 2.381) 5.713 14.264 ( -1.962 0.000 -0.305) 1.985 14.311 ( 5.142 0.000 10.398) 11.600 14.522 ( 12.449 0.000 6.307) 13.955 14.872 ( 12.051 0.000 -3.504) 12.550 15.150 ( 12.794 0.000 -0.153) 12.795 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -14.477 0.000 9.192) 17.148 0.825 ( -22.239 0.000 17.624) 28.376 1.454 ( -37.351 0.000 27.309) 46.270 1.868 ( 14.770 0.000 -2.002) 14.905 2.254 ( -0.627 0.000 -11.421) 11.438 2.258 ( -4.034 0.000 2.943) 4.993 2.419 ( 9.360 0.000 -5.630) 10.922 2.558 ( 1.160 0.000 1.345) 1.776 2.609 ( -3.201 0.000 5.716) 6.551 2.649 ( -5.903 0.000 -7.156) 9.277 2.933 ( 1.166 0.000 -14.715) 14.761 2.978 ( -6.528 0.000 -10.240) 12.144 2.990 ( 9.248 0.000 -4.806) 10.423 3.196 ( 2.500 0.000 -1.381) 2.856 3.282 ( 5.004 0.000 -11.692) 12.718 3.336 ( 4.332 0.000 6.786) 8.051 3.341 ( -1.326 0.000 -1.483) 1.989 3.389 ( 1.874 0.000 -0.539) 1.950 3.548 ( -2.471 0.000 -1.418) 2.849 3.671 ( -4.646 0.000 -6.046) 7.625 3.850 ( -0.735 0.000 5.260) 5.311 3.888 ( -5.111 0.000 -1.694) 5.384 3.907 ( -0.666 0.000 0.158) 0.684 3.956 ( -2.289 0.000 -1.924) 2.991 3.986 ( -2.443 0.000 8.250) 8.604 4.031 ( 4.577 0.000 -0.739) 4.636 4.224 ( 5.221 0.000 3.447) 6.256 4.237 ( 5.262 0.000 4.997) 7.256 4.473 ( -0.453 0.000 -5.545) 5.563 4.511 ( 3.926 0.000 1.532) 4.214 4.589 ( -6.521 0.000 -1.259) 6.641 4.734 ( -1.925 0.000 1.592) 2.498 4.797 ( -1.884 0.000 2.715) 3.305 4.829 ( -8.156 0.000 -0.496) 8.171 4.867 ( -6.313 0.000 -0.125) 6.314 4.951 ( -6.906 0.000 0.849) 6.958 5.001 ( -3.544 0.000 -4.652) 5.848 5.076 ( 1.088 0.000 -0.090) 1.092 5.210 ( 0.896 0.000 -0.642) 1.103 5.245 ( -3.570 0.000 0.332) 3.585 5.257 ( 3.608 0.000 2.520) 4.401 5.399 ( -0.648 0.000 -0.366) 0.744 5.445 ( -2.097 0.000 4.335) 4.815 5.506 ( -4.180 0.000 1.199) 4.349 5.544 ( 0.943 0.000 -0.951) 1.339 5.561 ( 1.201 0.000 -4.858) 5.004 5.693 ( 1.312 0.000 3.945) 4.157 5.750 ( -6.959 0.000 1.026) 7.034 5.772 ( -4.862 0.000 -3.867) 6.213 5.969 ( -6.207 0.000 1.198) 6.321 6.010 ( -0.887 0.000 0.679) 1.118 6.060 ( -1.385 0.000 -0.347) 1.428 6.111 ( -2.975 0.000 1.183) 3.202 6.189 ( -7.367 0.000 -1.521) 7.522 6.224 ( -0.596 0.000 1.690) 1.792 6.311 ( -1.669 0.000 -8.639) 8.799 6.431 ( -7.747 0.000 -1.188) 7.837 6.454 ( -3.044 0.000 -2.117) 3.708 6.650 ( 0.480 0.000 -4.822) 4.846 6.729 ( 1.992 0.000 2.110) 2.902 7.073 ( 0.200 0.000 1.373) 1.388 7.163 ( -0.467 0.000 6.296) 6.314 7.537 ( -0.444 0.000 0.023) 0.445 7.568 ( -2.312 0.000 3.960) 4.586 7.739 ( -1.824 0.000 -0.824) 2.002 7.740 ( -4.746 0.000 1.267) 4.912 7.893 ( -3.037 0.000 -0.083) 3.038 7.918 ( -6.637 0.000 -7.830) 10.264 8.149 ( -1.549 0.000 -5.989) 6.186 8.359 ( 5.447 0.000 2.705) 6.081 8.429 ( -2.442 0.000 1.808) 3.038 8.535 ( -0.739 0.000 -2.613) 2.715 8.551 ( -2.279 0.000 4.310) 4.875 8.804 ( 1.830 0.000 1.464) 2.343 8.909 ( -3.240 0.000 3.210) 4.561 8.921 ( 0.019 0.000 7.557) 7.557 9.096 ( 6.936 0.000 1.631) 7.125 9.139 ( 1.479 0.000 -1.269) 1.949 9.151 ( -0.744 0.000 -0.543) 0.922 9.225 ( 1.819 0.000 3.215) 3.694 9.344 ( -1.981 0.000 3.310) 3.857 9.492 ( -0.202 0.000 -7.364) 7.367 9.551 ( -2.984 0.000 0.452) 3.018 9.583 ( -14.894 0.000 -16.653) 22.342 9.812 ( 0.258 0.000 0.281) 0.382 9.929 ( 0.719 0.000 -0.329) 0.791 10.133 ( 3.255 0.000 0.939) 3.387 10.192 ( -4.119 0.000 1.939) 4.552 10.194 ( -0.211 0.000 -0.766) 0.794 10.273 ( 9.528 0.000 0.623) 9.548 10.292 ( 0.512 0.000 4.958) 4.984 10.340 ( 0.024 0.000 1.538) 1.538 10.537 ( 1.866 0.000 2.860) 3.415 10.555 ( -1.486 0.000 1.344) 2.003 10.647 ( 3.616 0.000 4.477) 5.755 10.721 ( -0.961 0.000 0.836) 1.274 10.746 ( 0.520 0.000 0.466) 0.699 10.807 ( 4.029 0.000 -0.400) 4.048 10.944 ( -0.373 0.000 0.336) 0.502 10.964 ( 9.766 0.000 11.669) 15.216 11.144 ( -0.180 0.000 -9.831) 9.833 11.177 ( -3.166 0.000 -9.830) 10.327 11.359 ( 8.707 0.000 3.582) 9.415 11.581 ( 1.293 0.000 0.375) 1.347 11.663 ( 3.724 0.000 -0.504) 3.758 11.672 ( -5.715 0.000 -2.957) 6.434 11.865 ( -8.748 0.000 0.076) 8.748 12.031 ( -1.010 0.000 0.202) 1.030 12.327 ( -10.334 0.000 -3.764) 10.998 12.331 ( -13.878 0.000 7.048) 15.565 12.682 ( 4.517 0.000 -6.640) 8.031 13.036 ( 7.488 0.000 -17.125) 18.691 13.330 ( 8.191 0.000 5.815) 10.045 14.090 ( -3.014 0.000 -1.733) 3.477 14.153 ( -0.018 0.000 0.005) 0.019 14.232 ( -0.934 0.000 -1.042) 1.399 14.411 ( 3.661 0.000 10.478) 11.100 14.784 ( 10.507 0.000 11.406) 15.508 15.037 ( 4.860 0.000 -4.109) 6.364 15.535 ( 23.109 0.000 6.691) 24.058 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 2.398 20.671 8.708) 22.558 0.886 ( -3.785 21.489 20.939) 30.242 1.458 ( -0.221 37.953 22.427) 44.085 1.738 ( 2.207 -22.106 -2.323) 22.337 1.890 ( -0.192 -21.668 6.587) 22.648 2.396 ( 7.222 -0.302 -4.672) 8.606 2.463 ( -1.497 -2.749 -6.446) 7.166 2.613 ( -3.178 2.974 -4.245) 6.080 2.657 ( 2.265 11.793 -2.011) 12.176 2.751 ( -3.740 6.751 -2.779) 8.202 2.843 ( -2.094 5.012 -12.212) 13.365 2.972 ( 2.246 -2.115 -12.594) 12.966 3.044 ( 0.003 -10.541 -0.500) 10.553 3.174 ( -4.775 -7.391 -4.082) 9.699 3.239 ( -0.784 -3.139 -2.825) 4.295 3.336 ( 1.731 3.417 -2.623) 4.643 3.390 ( -0.777 -1.158 0.994) 1.713 3.473 ( -0.986 -2.863 4.483) 5.410 3.503 ( 1.577 0.273 -4.103) 4.404 3.620 ( 0.653 -1.997 -0.143) 2.106 3.669 ( -0.848 1.510 2.378) 2.941 3.775 ( 1.326 2.464 2.419) 3.699 3.841 ( -2.645 1.818 2.112) 3.843 3.982 ( -3.234 6.966 -5.051) 9.192 4.027 ( 2.034 -1.835 1.608) 3.176 4.080 ( 3.422 -3.475 7.674) 9.093 4.163 ( 1.426 -5.576 0.551) 5.781 4.336 ( 0.579 -4.024 -2.706) 4.884 4.392 ( -0.004 3.425 -1.310) 3.667 4.511 ( -1.570 -3.385 -0.692) 3.795 4.569 ( -2.545 -5.203 0.822) 5.850 4.630 ( 3.188 -4.769 -1.195) 5.860 4.690 ( -1.332 0.815 1.896) 2.456 4.730 ( -3.313 0.481 -2.277) 4.049 4.767 ( 0.643 1.450 4.047) 4.347 4.917 ( 2.088 -3.236 -0.578) 3.894 4.995 ( -5.547 -3.826 -2.092) 7.056 5.086 ( -1.452 -4.756 4.816) 6.923 5.138 ( -1.236 4.415 -1.056) 4.705 5.178 ( 0.454 3.840 0.702) 3.930 5.327 ( -0.702 1.908 -0.353) 2.064 5.388 ( 2.557 -3.418 -1.660) 4.580 5.445 ( 2.751 2.008 -1.925) 3.912 5.546 ( -1.767 0.297 -0.914) 2.012 5.587 ( -0.903 0.145 0.973) 1.335 5.633 ( -0.303 -0.924 -0.063) 0.974 5.649 ( 2.701 9.579 -0.697) 9.977 5.746 ( -2.062 7.461 -1.155) 7.826 5.800 ( 2.771 0.160 0.528) 2.825 5.899 ( 2.867 3.703 1.549) 4.933 5.947 ( -0.311 -1.725 1.436) 2.266 6.072 ( -2.667 2.438 -1.655) 3.974 6.140 ( 3.123 -0.921 4.223) 5.332 6.154 ( 3.129 0.919 2.359) 4.025 6.206 ( -0.355 -1.063 1.681) 2.020 6.281 ( -0.173 -1.102 -3.836) 3.995 6.400 ( 0.128 -2.556 -2.019) 3.259 6.424 ( 0.932 -3.103 -1.220) 3.462 6.701 ( 1.294 5.499 -10.067) 11.544 6.814 ( 4.697 1.543 -2.091) 5.368 7.017 ( -3.826 0.998 3.038) 4.986 7.140 ( 0.711 -4.507 6.207) 7.704 7.524 ( -1.080 -1.125 0.680) 1.701 7.565 ( 1.379 0.869 3.547) 3.903 7.634 ( -3.987 -0.225 -1.443) 4.246 7.771 ( -3.075 0.969 1.255) 3.459 7.867 ( 0.089 3.804 -4.171) 5.646 7.997 ( 5.133 4.818 -2.439) 7.450 8.100 ( -0.128 -1.918 -5.350) 5.685 8.295 ( -2.437 -6.359 -1.643) 7.005 8.392 ( 0.869 0.182 -0.567) 1.054 8.469 ( -1.587 -2.489 2.497) 3.867 8.625 ( -0.744 7.106 -3.691) 8.041 8.845 ( -2.611 -0.230 1.207) 2.885 8.879 ( -4.976 -0.082 0.853) 5.050 8.928 ( 1.935 3.047 6.260) 7.226 8.998 ( -5.172 -3.413 3.690) 7.212 9.150 ( -5.728 -1.294 -0.778) 5.923 9.203 ( 3.004 -4.216 1.767) 5.470 9.228 ( -1.434 -1.748 1.436) 2.679 9.263 ( 3.961 0.549 0.637) 4.049 9.311 ( 7.731 -2.898 0.607) 8.278 9.503 ( -1.790 3.146 0.595) 3.668 9.588 ( 2.115 0.967 -3.004) 3.799 9.884 ( -0.043 2.078 -1.386) 2.498 9.910 ( -2.032 -0.697 -2.922) 3.627 10.137 ( 1.753 1.187 -0.452) 2.165 10.184 ( 0.021 -0.703 -0.037) 0.704 10.223 ( 0.438 0.155 1.218) 1.304 10.256 ( 2.744 -0.873 3.389) 4.446 10.322 ( -0.152 0.240 1.927) 1.948 10.414 ( 1.179 -0.475 5.222) 5.375 10.494 ( 0.549 1.899 0.505) 2.040 10.591 ( -1.770 0.947 -0.133) 2.012 10.634 ( -1.940 -1.979 2.523) 3.748 10.681 ( -0.089 -0.351 6.169) 6.179 10.704 ( 0.353 -3.150 0.645) 3.235 10.817 ( 1.564 -5.509 1.667) 5.965 10.933 ( -1.925 1.461 -0.478) 2.463 10.951 ( -0.452 -3.014 6.002) 6.731 11.135 ( 3.408 -5.253 -5.616) 8.412 11.208 ( -2.131 -2.508 -3.589) 4.870 11.385 ( 3.118 -11.582 3.125) 12.394 11.398 ( 4.367 -2.517 -2.588) 5.666 11.667 ( -4.908 6.693 -2.258) 8.601 11.815 ( -0.757 2.765 0.097) 2.869 11.937 ( 3.181 -2.001 -1.306) 3.979 11.950 ( -4.906 -2.712 -4.239) 7.028 12.281 ( 6.728 9.095 -3.255) 11.772 12.444 ( 7.327 5.184 -2.324) 9.272 12.859 ( 1.607 10.948 -8.628) 14.031 13.066 ( 0.378 -0.427 -10.635) 10.651 13.460 ( 0.919 4.182 11.353) 12.133 13.896 ( -6.862 -4.333 -2.396) 8.461 14.124 ( -0.831 0.063 -0.255) 0.871 14.209 ( 0.191 -2.305 -0.195) 2.322 14.435 ( -0.528 -0.265 10.421) 10.438 14.642 ( 0.080 -11.831 8.097) 14.337 15.409 ( -1.527 15.909 -2.151) 16.126 15.798 ( -3.907 -4.305 -4.448) 7.320 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 12.971 21.972 2.360) 25.624 0.994 ( 17.389 14.175 14.166) 26.533 1.721 ( 16.038 9.446 9.126) 20.729 1.841 ( -3.302 -17.129 7.381) 18.941 1.893 ( 14.433 -4.521 4.251) 15.710 2.373 ( -7.030 0.758 -5.424) 8.912 2.408 ( -7.751 -1.690 3.905) 8.843 2.609 ( 3.391 3.347 -3.816) 6.104 2.663 ( 1.058 8.301 -8.379) 11.842 2.775 ( 3.037 2.411 -6.664) 7.710 2.798 ( -4.265 8.383 -7.267) 11.886 2.937 ( -2.331 2.098 -10.881) 11.324 3.078 ( -1.446 -0.189 -8.235) 8.363 3.097 ( 2.965 -8.853 -2.163) 9.584 3.232 ( -2.636 -3.049 -0.926) 4.135 3.326 ( 0.174 -1.234 -4.948) 5.103 3.409 ( 5.309 -7.920 -1.022) 9.589 3.449 ( -1.146 -1.025 1.673) 2.272 3.532 ( 1.092 2.884 -2.679) 4.085 3.620 ( 1.450 -4.290 8.053) 9.239 3.688 ( -1.223 5.584 1.118) 5.825 3.751 ( -2.936 -2.275 -0.490) 3.747 3.889 ( 2.012 5.132 -2.928) 6.242 3.973 ( -0.028 2.655 0.730) 2.754 4.002 ( -0.019 -2.737 3.473) 4.422 4.109 ( -4.763 -1.973 7.118) 8.789 4.155 ( 2.205 -1.350 5.417) 6.002 4.336 ( -2.306 -0.161 -0.351) 2.338 4.422 ( 3.314 -1.638 -2.774) 4.622 4.451 ( -1.770 -8.077 -0.090) 8.269 4.548 ( 1.121 3.554 -1.310) 3.950 4.693 ( 0.333 -1.808 -2.178) 2.851 4.709 ( 2.747 -3.873 4.209) 6.346 4.730 ( 2.943 -2.625 -0.483) 3.973 4.843 ( 5.293 0.363 -2.172) 5.733 4.919 ( 0.507 -2.673 -1.554) 3.133 4.980 ( 2.753 -2.711 -0.224) 3.870 5.124 ( 3.322 -8.269 2.750) 9.326 5.150 ( 3.656 5.136 -2.772) 6.887 5.211 ( 1.125 -0.254 2.380) 2.645 5.338 ( 2.523 1.127 1.537) 3.162 5.440 ( 2.022 0.312 -1.086) 2.316 5.488 ( -0.305 0.274 -3.045) 3.072 5.518 ( -1.446 0.920 0.036) 1.715 5.569 ( 3.140 4.383 2.284) 5.856 5.679 ( 2.471 2.574 -0.195) 3.573 5.696 ( -0.162 4.461 1.121) 4.603 5.737 ( 2.828 9.310 -1.816) 9.898 5.903 ( 4.201 -3.163 -0.872) 5.331 5.955 ( 3.288 2.541 -0.763) 4.225 6.005 ( 5.203 0.544 2.561) 5.825 6.094 ( 3.955 2.358 -3.013) 5.503 6.158 ( -1.776 0.086 4.242) 4.600 6.202 ( 1.039 -1.781 0.535) 2.130 6.277 ( 3.915 -2.984 -1.055) 5.034 6.348 ( 8.969 -3.792 -2.377) 10.023 6.424 ( 2.690 -1.518 -1.425) 3.401 6.461 ( 2.331 -5.510 -0.204) 5.986 6.688 ( -0.376 6.315 -5.324) 8.269 6.798 ( -5.453 6.665 -8.186) 11.882 7.015 ( 3.831 0.941 8.071) 8.984 7.196 ( 4.500 -7.254 7.738) 11.521 7.508 ( 0.032 0.410 2.940) 2.969 7.558 ( -0.451 3.981 -1.251) 4.197 7.646 ( 3.107 -5.611 -2.641) 6.937 7.717 ( -0.696 -2.573 1.111) 2.887 7.916 ( 4.474 5.345 -2.036) 7.262 8.107 ( 2.765 4.825 -0.645) 5.598 8.124 ( 4.998 -1.865 -2.881) 6.063 8.261 ( 0.088 -0.503 0.242) 0.565 8.421 ( 2.064 2.295 -3.828) 4.918 8.468 ( 1.652 -0.363 -0.699) 1.830 8.657 ( 3.950 2.331 -2.695) 5.320 8.743 ( -3.470 -1.145 0.025) 3.654 8.798 ( -3.341 2.676 4.112) 5.936 8.984 ( 1.939 0.166 4.682) 5.070 8.987 ( 2.755 -0.006 4.597) 5.359 9.052 ( -1.397 -0.709 -1.495) 2.166 9.155 ( -5.083 -2.213 -0.715) 5.590 9.247 ( 0.219 -2.213 1.689) 2.793 9.340 ( 2.820 -1.569 1.816) 3.703 9.417 ( 1.081 -5.091 -6.136) 8.045 9.549 ( 5.715 1.199 3.340) 6.727 9.632 ( 2.480 -1.321 -1.118) 3.024 9.877 ( -0.233 -0.426 -1.030) 1.139 9.890 ( -0.017 0.602 -3.846) 3.893 10.160 ( -1.493 0.814 -0.996) 1.970 10.192 ( 0.692 1.355 -1.615) 2.219 10.238 ( 1.000 -0.116 2.859) 3.031 10.310 ( 1.328 -3.152 4.342) 5.527 10.324 ( 0.837 2.333 0.109) 2.481 10.398 ( -2.502 -0.409 3.411) 4.250 10.475 ( -2.619 2.320 1.920) 3.991 10.564 ( 0.374 1.350 -0.004) 1.401 10.579 ( -3.039 -2.062 4.406) 5.736 10.659 ( -1.677 1.804 4.793) 5.389 10.705 ( -1.382 -3.196 0.528) 3.522 10.821 ( -0.835 -3.981 1.425) 4.310 10.891 ( -1.636 1.522 -1.507) 2.695 10.944 ( 0.042 -0.760 3.840) 3.915 11.077 ( -6.501 -1.394 -4.304) 7.920 11.186 ( -1.684 -9.300 -6.397) 11.412 11.431 ( 2.116 -3.161 5.527) 6.709 11.488 ( 0.295 -4.335 -5.261) 6.824 11.612 ( 0.066 1.079 1.407) 1.774 11.864 ( 0.341 -4.189 -5.114) 6.620 11.871 ( 1.410 2.743 -2.245) 3.815 12.058 ( 8.393 -5.044 -3.305) 10.335 12.399 ( 1.830 12.446 -1.215) 12.638 12.673 ( 9.847 2.270 0.390) 10.113 12.879 ( 1.990 3.718 -3.972) 5.793 13.059 ( 0.577 -0.170 -10.806) 10.823 13.450 ( -1.199 2.589 12.616) 12.935 13.754 ( -6.330 -0.358 -5.407) 8.333 14.088 ( -3.132 1.371 -0.441) 3.448 14.209 ( -0.338 -3.155 0.226) 3.181 14.389 ( -3.660 0.794 9.197) 9.930 14.583 ( -5.650 -9.832 7.321) 13.498 15.222 ( -14.900 14.700 -2.837) 21.122 15.456 ( -21.679 2.518 1.425) 21.871 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 21.801 10.679 -7.790) 25.495 1.430 ( 19.516 8.259 6.540) 22.178 1.696 ( -3.903 -6.724 6.214) 9.953 1.972 ( -0.779 -5.998 -2.070) 6.393 2.132 ( -12.304 -5.365 -0.015) 13.422 2.226 ( 9.719 -2.690 -5.411) 11.444 2.300 ( 3.026 4.944 5.333) 7.876 2.635 ( -1.139 -1.554 -3.661) 4.137 2.699 ( 2.739 6.642 -6.862) 9.935 2.792 ( 1.906 7.727 -1.311) 8.066 2.848 ( 8.050 3.811 -7.996) 11.969 2.896 ( -2.862 3.948 -5.292) 7.196 3.019 ( -3.514 4.463 -4.649) 7.341 3.128 ( 2.660 2.267 -5.833) 6.801 3.238 ( 2.891 -5.186 -6.925) 9.122 3.364 ( 3.047 -1.494 -3.336) 4.759 3.427 ( -2.519 -4.134 1.722) 5.138 3.504 ( -1.909 3.036 1.825) 4.024 3.550 ( -1.669 1.651 1.631) 2.858 3.628 ( 3.230 -4.614 -0.546) 5.659 3.696 ( 1.052 -4.188 0.708) 4.376 3.732 ( 1.733 -0.092 4.044) 4.401 3.841 ( -7.122 4.884 3.805) 9.437 3.900 ( 0.101 1.135 -0.024) 1.139 3.966 ( -0.416 -5.257 6.344) 8.250 4.126 ( -0.704 -1.953 6.318) 6.650 4.161 ( -0.805 -0.307 4.397) 4.481 4.248 ( -4.498 -2.747 3.781) 6.487 4.451 ( 2.431 -5.359 -1.438) 6.058 4.517 ( 2.472 -1.455 0.979) 3.031 4.581 ( 0.983 2.498 -5.426) 6.053 4.668 ( -1.987 -2.751 -0.552) 3.438 4.714 ( -0.671 -3.945 0.885) 4.098 4.799 ( 0.527 0.353 -1.331) 1.475 4.877 ( -1.203 -1.619 -0.697) 2.134 5.015 ( 6.523 -1.351 -1.416) 6.810 5.094 ( 8.777 1.202 -0.951) 8.910 5.150 ( -0.956 -1.152 2.285) 2.732 5.247 ( 3.113 -5.390 -1.300) 6.359 5.289 ( 7.277 -0.260 0.970) 7.346 5.377 ( 1.235 0.168 -1.054) 1.632 5.447 ( -0.383 4.871 0.930) 4.974 5.481 ( -0.563 1.766 2.974) 3.505 5.505 ( 1.235 1.303 -0.804) 1.967 5.622 ( -1.975 2.662 -0.672) 3.382 5.714 ( 1.012 0.602 -0.650) 1.345 5.757 ( 7.274 1.985 0.348) 7.548 5.816 ( 4.894 6.345 -1.725) 8.197 5.921 ( -0.685 0.073 0.897) 1.131 6.058 ( 5.544 1.320 -4.647) 7.353 6.085 ( -1.139 -0.185 -0.091) 1.158 6.124 ( 4.224 -0.975 1.775) 4.685 6.159 ( 1.988 -1.472 2.381) 3.433 6.249 ( 2.885 1.789 -1.958) 3.919 6.346 ( 2.828 0.302 -0.788) 2.951 6.479 ( 2.185 -3.151 -0.940) 3.948 6.529 ( 7.121 -0.641 -2.112) 7.455 6.579 ( 8.358 -4.470 -3.309) 10.040 6.726 ( 5.087 4.740 -1.010) 7.027 6.800 ( 6.619 2.964 -1.659) 7.440 7.111 ( 5.604 0.884 8.920) 10.572 7.305 ( 5.681 -7.010 7.676) 11.846 7.535 ( 2.758 0.930 2.502) 3.839 7.592 ( 3.788 4.060 -1.214) 5.684 7.716 ( 4.180 -7.353 -1.596) 8.607 7.752 ( 3.494 -2.249 -0.163) 4.159 8.021 ( 5.276 5.880 -2.174) 8.194 8.158 ( 3.152 -1.053 -0.820) 3.423 8.252 ( 6.146 0.460 1.970) 6.471 8.285 ( 1.998 0.488 3.543) 4.097 8.459 ( 1.561 3.920 -5.936) 7.283 8.542 ( 5.033 1.462 -4.631) 6.994 8.697 ( -1.904 3.552 -0.151) 4.033 8.726 ( 1.399 0.727 1.356) 2.080 8.775 ( 2.151 0.485 0.773) 2.337 9.019 ( -0.531 -4.010 0.346) 4.060 9.069 ( 1.175 0.716 4.225) 4.443 9.081 ( 1.953 -1.294 1.262) 2.662 9.107 ( 8.929 -1.133 -1.986) 9.217 9.228 ( -0.812 -0.527 0.771) 1.237 9.397 ( 2.666 -2.627 0.965) 3.865 9.428 ( 1.333 -5.887 -5.716) 8.313 9.655 ( 3.151 3.544 0.245) 4.749 9.690 ( 3.483 -0.870 3.606) 5.088 9.867 ( -2.310 2.053 -2.125) 3.750 9.885 ( 0.470 -3.049 -0.971) 3.234 10.090 ( -4.785 1.776 -0.511) 5.129 10.180 ( -2.652 0.582 -1.787) 3.250 10.225 ( -2.552 0.013 1.491) 2.956 10.291 ( -3.237 2.523 3.781) 5.580 10.315 ( -4.938 0.120 1.557) 5.179 10.339 ( 0.243 -0.081 1.066) 1.096 10.450 ( 1.043 -1.841 3.839) 4.384 10.528 ( -1.742 -3.056 2.739) 4.458 10.593 ( -0.353 0.147 1.700) 1.743 10.636 ( 1.043 2.965 0.001) 3.143 10.662 ( -1.636 -0.181 1.307) 2.102 10.786 ( -2.603 -2.647 -0.003) 3.712 10.866 ( -0.923 -0.261 -2.597) 2.769 10.928 ( -5.382 3.437 -2.825) 6.983 10.973 ( 0.329 -2.899 3.322) 4.421 11.110 ( -5.208 -7.358 -3.718) 9.751 11.397 ( -5.334 4.121 -3.029) 7.390 11.480 ( -0.249 -0.182 -2.699) 2.716 11.633 ( 1.303 -2.966 2.010) 3.813 11.786 ( -3.936 -4.036 -4.851) 7.437 11.977 ( 3.597 2.066 -5.353) 6.772 12.246 ( 8.033 -7.145 -2.782) 11.104 12.327 ( -7.450 17.486 5.318) 19.737 12.729 ( -0.998 6.029 -0.197) 6.114 12.935 ( 0.474 -6.320 -1.425) 6.496 13.116 ( 4.276 -6.283 -2.215) 7.916 13.443 ( -0.061 3.102 13.491) 13.843 13.653 ( -3.295 -3.309 -4.849) 6.732 13.969 ( -8.521 5.071 0.855) 9.953 14.186 ( -2.025 -4.981 0.459) 5.397 14.323 ( -2.263 1.872 4.992) 5.792 14.440 ( -7.481 -4.758 5.654) 10.515 14.919 ( -13.202 8.623 -4.790) 16.480 15.063 ( -15.036 2.392 -3.624) 15.651 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -7.503 5.440 0.897) 9.311 1.641 ( 22.338 0.778 -12.905) 25.810 1.723 ( -13.452 -0.445 -1.139) 13.508 1.889 ( -5.954 -4.949 -3.402) 8.456 2.016 ( 17.465 7.274 5.125) 19.601 2.373 ( 3.059 -0.623 -11.623) 12.034 2.427 ( 5.680 -5.276 -3.326) 8.436 2.602 ( -2.591 -7.903 -4.248) 9.339 2.698 ( 1.911 3.140 -4.939) 6.157 2.789 ( -2.033 -0.386 -1.550) 2.586 2.883 ( 3.335 4.217 -3.846) 6.611 2.982 ( -0.980 -0.590 -2.653) 2.889 3.114 ( 9.634 5.298 -0.932) 11.034 3.192 ( -1.112 2.281 -4.326) 5.015 3.242 ( -1.433 0.870 -10.363) 10.497 3.286 ( -4.158 -0.344 2.408) 4.817 3.417 ( -2.710 4.614 -0.546) 5.378 3.438 ( 0.349 1.790 2.409) 3.021 3.524 ( -2.297 5.117 11.813) 13.077 3.577 ( -4.219 4.249 -0.036) 5.988 3.708 ( -0.988 2.803 3.922) 4.921 3.772 ( 2.353 0.938 5.074) 5.671 3.814 ( 1.791 -1.724 0.489) 2.534 3.931 ( -2.340 -7.083 3.609) 8.286 4.010 ( -0.495 -2.528 6.382) 6.882 4.073 ( 6.792 -5.829 3.075) 9.464 4.129 ( -2.180 -5.042 1.924) 5.820 4.239 ( 1.280 -3.830 5.063) 6.476 4.482 ( -0.484 0.513 0.427) 0.824 4.498 ( -2.698 1.033 -1.945) 3.482 4.541 ( -3.141 -0.132 -3.068) 4.393 4.628 ( -3.959 -1.309 -1.136) 4.322 4.721 ( -1.284 3.143 0.284) 3.407 4.745 ( 1.696 0.562 -1.730) 2.487 4.908 ( 2.497 -5.475 -3.405) 6.914 5.039 ( -3.390 0.809 -0.996) 3.625 5.139 ( -1.400 -3.503 1.443) 4.039 5.253 ( 4.682 3.976 -2.930) 6.806 5.289 ( 3.225 1.288 -0.191) 3.478 5.373 ( 1.791 -2.088 2.606) 3.789 5.403 ( 2.472 -1.209 3.634) 4.559 5.477 ( 0.258 0.460 5.079) 5.107 5.524 ( 2.671 2.060 2.113) 3.980 5.574 ( 5.270 -1.467 -2.312) 5.939 5.583 ( 0.470 -2.070 -4.990) 5.423 5.685 ( -1.685 0.563 1.257) 2.176 5.851 ( 1.929 2.743 -1.471) 3.662 5.929 ( 4.774 0.573 -0.828) 4.879 5.990 ( 6.426 2.029 -0.031) 6.739 6.076 ( 0.566 1.566 -3.616) 3.981 6.130 ( -0.986 2.166 -0.460) 2.424 6.194 ( 4.282 3.978 -0.348) 5.856 6.240 ( 3.058 -3.791 1.245) 5.027 6.272 ( 1.909 1.261 -0.610) 2.368 6.411 ( 3.149 -1.280 0.536) 3.442 6.472 ( -2.326 -2.415 -4.473) 5.590 6.666 ( 4.742 -0.162 -3.203) 5.725 6.717 ( 5.211 -3.895 -0.051) 6.506 6.887 ( 8.534 3.204 -0.640) 9.138 6.967 ( 7.231 -0.209 0.559) 7.256 7.239 ( 5.560 1.703 11.085) 12.518 7.418 ( 4.517 -5.868 7.965) 10.876 7.626 ( 5.255 2.244 0.404) 5.728 7.718 ( 9.220 2.910 1.000) 9.720 7.810 ( 3.651 -4.150 -1.398) 5.701 7.881 ( 10.385 -4.983 0.637) 11.536 8.139 ( 6.765 2.694 -0.249) 7.285 8.216 ( 2.094 -1.831 -1.152) 3.011 8.326 ( 1.078 0.742 4.808) 4.983 8.358 ( 3.883 -2.419 3.216) 5.592 8.496 ( 2.375 3.875 -6.132) 7.633 8.629 ( 3.085 1.592 -4.928) 6.028 8.679 ( 0.868 4.503 -0.186) 4.590 8.739 ( -2.836 -0.065 -0.688) 2.919 8.806 ( 3.256 3.876 0.528) 5.089 9.037 ( 2.330 -3.353 -0.720) 4.146 9.090 ( 0.732 -1.363 2.116) 2.622 9.148 ( 3.115 -5.185 2.093) 6.400 9.266 ( 4.722 1.146 0.663) 4.905 9.325 ( 9.710 -0.119 -2.225) 9.962 9.439 ( 1.920 -3.845 -1.450) 4.535 9.492 ( 4.607 -4.386 -4.595) 7.847 9.658 ( -2.983 4.384 0.648) 5.342 9.748 ( 0.480 3.444 5.739) 6.710 9.795 ( -3.160 0.622 -3.544) 4.789 9.903 ( 1.107 -3.511 3.486) 5.070 9.985 ( -5.078 3.643 -1.754) 6.491 10.059 ( -8.782 0.198 1.728) 8.952 10.133 ( -4.175 3.045 2.302) 5.657 10.228 ( -1.617 2.045 1.771) 3.152 10.274 ( -0.230 0.915 -0.030) 0.944 10.339 ( -0.447 -1.503 1.451) 2.136 10.467 ( -0.351 -3.092 2.448) 3.959 10.502 ( -1.143 -2.084 0.427) 2.415 10.534 ( -2.876 1.111 0.344) 3.102 10.635 ( -0.727 5.261 3.399) 6.305 10.720 ( -3.632 -3.281 -2.181) 5.358 10.729 ( 5.156 0.570 -3.822) 6.443 10.821 ( -2.998 1.961 -0.491) 3.616 10.856 ( -0.144 -0.793 -1.634) 1.822 10.950 ( -5.240 -3.863 -2.942) 7.144 11.045 ( 1.487 -2.592 3.683) 4.743 11.266 ( -6.415 8.490 -3.576) 11.226 11.445 ( -2.913 7.630 -4.892) 9.520 11.672 ( 2.173 -4.935 0.423) 5.409 11.708 ( -3.872 -4.397 -5.715) 8.185 11.964 ( -4.227 1.656 -6.266) 7.738 12.114 ( -10.322 9.876 7.040) 15.926 12.392 ( 4.696 -6.833 -1.434) 8.414 12.720 ( 0.103 2.512 0.950) 2.687 12.946 ( 2.729 -4.416 -3.098) 6.045 13.106 ( -6.551 -19.565 1.816) 20.712 13.409 ( -5.150 4.724 17.669) 19.001 13.579 ( -5.283 -1.334 7.140) 8.982 13.825 ( -2.739 9.808 -4.763) 11.242 14.141 ( -1.472 -6.784 -1.420) 7.086 14.293 ( -1.230 1.468 2.101) 2.843 14.320 ( -3.692 -0.584 2.941) 4.756 14.701 ( -6.584 7.467 -5.093) 11.182 14.874 ( -4.636 0.346 -9.578) 10.646 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -1.589 4.336 -3.322) 5.689 1.493 ( -7.313 -0.610 -1.554) 7.501 1.764 ( -3.065 4.190 -5.940) 7.889 2.068 ( 15.417 -5.807 -17.251) 23.854 2.271 ( -0.581 3.530 -1.919) 4.059 2.393 ( -1.560 -0.209 -5.957) 6.162 2.507 ( 7.174 -3.280 -0.961) 7.947 2.606 ( 3.451 -0.652 -7.428) 8.216 2.699 ( -2.460 -4.868 -0.539) 5.481 2.783 ( 3.327 -5.140 -5.896) 8.500 2.913 ( -1.534 2.100 -5.413) 6.005 3.013 ( 2.693 -3.220 3.371) 5.384 3.110 ( -2.683 0.218 -2.923) 3.974 3.165 ( 0.257 6.059 -6.494) 8.885 3.190 ( -5.044 9.974 4.726) 12.135 3.277 ( 2.660 -0.728 0.470) 2.798 3.408 ( -5.942 8.326 7.033) 12.414 3.444 ( 1.486 -3.458 0.140) 3.767 3.466 ( 5.039 4.815 6.039) 9.222 3.559 ( -0.509 5.255 -0.189) 5.283 3.634 ( -8.007 -3.052 9.743) 12.975 3.750 ( -1.102 -1.011 -1.534) 2.142 3.872 ( 0.121 -3.074 2.057) 3.700 3.922 ( 6.663 4.628 1.626) 8.274 4.014 ( -2.924 -9.654 2.951) 10.510 4.065 ( -1.268 -1.922 1.925) 3.001 4.178 ( -4.598 -0.586 6.719) 8.163 4.269 ( 5.070 -1.783 -1.270) 5.522 4.399 ( -6.366 0.788 -0.942) 6.483 4.422 ( -4.069 2.651 2.000) 5.253 4.532 ( 0.586 5.881 2.541) 6.433 4.625 ( 3.046 -5.803 -5.055) 8.277 4.726 ( 4.382 5.145 2.286) 7.135 4.824 ( 4.480 -5.454 -0.940) 7.120 4.925 ( -0.348 -2.132 -3.202) 3.862 4.996 ( 0.605 1.761 -3.648) 4.096 5.110 ( -1.033 -6.817 0.814) 6.943 5.292 ( -0.655 0.176 -0.384) 0.779 5.337 ( 1.909 2.127 -1.728) 3.340 5.383 ( -0.283 0.774 0.925) 1.239 5.481 ( 0.712 3.470 4.642) 5.839 5.502 ( 3.305 -2.328 6.122) 7.336 5.552 ( -0.506 -1.236 2.910) 3.202 5.557 ( -0.351 0.681 -3.020) 3.116 5.653 ( 2.200 -3.420 -0.544) 4.103 5.680 ( -0.292 -1.400 1.329) 1.952 5.872 ( -0.701 7.865 -1.256) 7.995 5.999 ( 1.134 -0.630 -1.677) 2.120 6.066 ( 0.051 1.764 -2.114) 2.754 6.084 ( 0.924 0.323 -3.952) 4.071 6.121 ( 1.467 2.750 -1.576) 3.493 6.214 ( -0.784 -2.300 2.098) 3.210 6.291 ( 1.864 -2.208 0.036) 2.890 6.335 ( 1.132 0.922 0.100) 1.463 6.424 ( 0.032 -3.630 -3.921) 5.343 6.466 ( 1.301 -0.941 0.096) 1.609 6.711 ( 0.177 0.333 -4.405) 4.421 6.787 ( 1.816 -3.339 1.585) 4.118 7.018 ( 3.530 2.855 -1.210) 4.699 7.057 ( 1.508 1.012 -0.099) 1.818 7.305 ( 0.632 1.933 11.826) 12.000 7.469 ( 0.101 -5.019 7.996) 9.442 7.708 ( 2.558 3.496 -0.750) 4.396 7.852 ( 1.099 -1.832 -0.869) 2.306 7.936 ( 7.316 1.099 -0.706) 7.432 8.101 ( 8.127 -5.296 0.729) 9.728 8.213 ( -0.717 -1.479 -0.076) 1.646 8.275 ( -0.668 -0.878 2.163) 2.428 8.353 ( 4.614 -0.122 4.970) 6.783 8.428 ( 4.328 -3.511 2.892) 6.279 8.537 ( 1.587 1.820 -5.479) 5.988 8.665 ( -1.750 -1.900 -3.057) 4.002 8.691 ( 1.632 2.353 3.532) 4.546 8.706 ( 1.281 1.358 -1.467) 2.374 8.897 ( 5.319 6.811 -3.074) 9.173 9.068 ( 0.358 -2.282 -0.360) 2.338 9.113 ( 1.358 -2.104 1.392) 2.865 9.178 ( -0.003 -4.564 -0.118) 4.565 9.326 ( -2.144 0.593 1.695) 2.796 9.437 ( 2.545 0.186 -3.328) 4.194 9.488 ( 0.994 -1.612 -1.870) 2.661 9.540 ( 0.859 1.868 -0.512) 2.119 9.635 ( 0.551 -0.587 -1.892) 2.056 9.697 ( -0.409 -2.074 -0.510) 2.175 9.804 ( 2.142 1.168 3.177) 4.006 9.856 ( -6.584 1.968 4.246) 8.078 9.893 ( -4.753 3.187 -0.680) 5.763 9.925 ( -1.475 -1.534 1.950) 2.887 10.094 ( -1.303 2.830 2.119) 3.768 10.191 ( -0.714 3.665 1.065) 3.883 10.296 ( 0.509 -0.807 0.031) 0.954 10.320 ( -1.184 0.051 -1.081) 1.604 10.453 ( 0.413 0.915 -0.797) 1.282 10.481 ( -0.351 -0.225 -2.597) 2.631 10.511 ( -0.045 -0.759 1.023) 1.275 10.615 ( -1.058 5.398 0.986) 5.588 10.651 ( -2.306 -0.309 -1.163) 2.601 10.732 ( -1.807 2.361 2.355) 3.793 10.827 ( -2.266 -3.072 -4.091) 5.596 10.880 ( 2.606 0.165 0.664) 2.695 10.911 ( 4.300 -0.372 0.743) 4.379 11.072 ( -0.691 2.891 -0.303) 2.988 11.212 ( 2.804 8.302 -3.272) 9.354 11.376 ( -3.054 11.556 -1.282) 12.022 11.599 ( -5.915 -5.340 -8.341) 11.536 11.666 ( -3.331 -2.882 -4.294) 6.152 11.931 ( -4.475 2.664 5.103) 7.291 11.959 ( 4.236 -3.428 -3.053) 6.246 12.460 ( 1.678 -9.507 0.428) 9.664 12.700 ( -3.665 -3.437 5.245) 7.263 12.877 ( -9.183 -10.631 -3.426) 14.460 13.103 ( 9.607 -9.109 1.988) 13.387 13.272 ( -7.406 2.242 10.648) 13.163 13.409 ( -10.081 0.613 8.000) 12.884 13.852 ( 3.746 10.267 -1.581) 11.043 14.146 ( 1.417 -6.059 -0.396) 6.235 14.273 ( -0.303 1.128 2.092) 2.395 14.285 ( -0.314 0.876 1.901) 2.116 14.645 ( -0.185 6.946 -5.545) 8.890 14.826 ( 0.007 -0.017 -9.970) 9.971 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 6.342 0.512 -1.853) 6.627 1.468 ( 5.773 -2.875 -3.715) 7.443 1.738 ( 0.059 8.077 -5.572) 9.812 2.047 ( -14.106 -2.553 -17.282) 22.453 2.165 ( -4.189 2.395 -2.906) 5.633 2.314 ( -11.653 -6.395 -2.612) 13.546 2.614 ( 7.441 -0.897 -5.990) 9.595 2.723 ( 0.657 1.410 -5.145) 5.375 2.735 ( 1.408 -6.140 -1.889) 6.577 2.798 ( -1.845 -2.709 -6.728) 7.483 2.908 ( 4.944 2.011 -2.105) 5.737 3.041 ( 2.497 -0.120 6.771) 7.217 3.101 ( -0.490 8.484 -3.044) 9.026 3.132 ( 4.307 -3.169 -2.613) 5.952 3.229 ( 4.018 8.761 2.377) 9.927 3.319 ( 0.824 1.084 4.841) 5.029 3.356 ( -9.882 -2.791 -2.682) 10.613 3.426 ( 5.221 4.796 3.990) 8.135 3.452 ( -3.954 0.174 3.357) 5.190 3.532 ( 1.471 3.156 6.566) 7.432 3.672 ( 8.591 3.251 1.612) 9.326 3.804 ( 0.426 -3.340 -2.040) 3.937 3.816 ( -3.028 1.712 2.473) 4.268 3.874 ( -6.284 -4.475 1.232) 7.812 4.030 ( 0.394 1.866 -1.504) 2.429 4.049 ( -1.141 0.155 8.434) 8.513 4.113 ( 0.904 -4.223 0.833) 4.398 4.258 ( -6.367 -3.114 2.598) 7.548 4.334 ( 0.061 0.326 -0.190) 0.382 4.400 ( 2.207 5.919 -3.760) 7.351 4.571 ( 4.555 4.421 2.851) 6.958 4.618 ( -1.350 -3.607 -1.211) 4.037 4.844 ( -1.423 -4.654 3.110) 5.775 4.873 ( 4.365 -0.828 1.769) 4.782 4.974 ( 4.240 -4.504 -2.655) 6.732 5.031 ( 1.863 -0.527 -2.127) 2.876 5.092 ( -0.725 -7.016 2.062) 7.349 5.239 ( -2.976 -3.717 -2.262) 5.272 5.362 ( -2.162 3.058 -0.556) 3.786 5.405 ( 3.257 4.107 -0.818) 5.305 5.468 ( -2.796 0.357 2.279) 3.625 5.498 ( -1.180 4.164 2.532) 5.014 5.511 ( -2.803 0.977 2.097) 3.635 5.595 ( 1.445 0.522 1.793) 2.361 5.662 ( 0.149 -1.568 3.341) 3.694 5.679 ( -0.287 -0.684 0.256) 0.785 5.851 ( -0.290 7.524 -3.028) 8.116 5.969 ( -3.907 0.221 -1.369) 4.145 6.046 ( -0.621 2.845 -1.729) 3.387 6.093 ( -1.740 -2.119 -4.493) 5.263 6.143 ( -0.303 -0.752 -3.580) 3.671 6.172 ( -2.448 -3.143 2.433) 4.668 6.302 ( -1.747 -1.342 1.581) 2.712 6.326 ( 0.028 -1.558 -2.954) 3.339 6.439 ( -1.347 0.013 -0.370) 1.397 6.476 ( 1.394 -2.767 -1.763) 3.564 6.691 ( -1.885 1.324 -3.961) 4.582 6.799 ( -0.777 -2.839 2.493) 3.857 7.014 ( -3.940 2.239 -1.743) 4.856 7.034 ( -3.610 1.500 -0.831) 3.997 7.282 ( -2.859 1.844 10.893) 11.412 7.424 ( -4.642 -3.832 6.133) 8.593 7.731 ( -0.383 3.067 -0.332) 3.109 7.851 ( -0.916 0.042 -0.482) 1.036 7.917 ( -7.381 1.112 -0.462) 7.479 8.104 ( -7.915 -6.740 -1.285) 10.475 8.161 ( -3.650 -0.829 0.325) 3.757 8.238 ( -1.684 -3.103 1.943) 4.030 8.375 ( -4.681 2.812 3.230) 6.344 8.470 ( -0.680 -2.478 3.573) 4.401 8.585 ( 1.540 -2.851 -0.487) 3.276 8.659 ( 0.542 -3.202 -1.436) 3.551 8.723 ( -0.117 -0.457 -1.300) 1.383 8.740 ( 3.240 1.266 3.303) 4.797 8.967 ( 0.226 5.913 -4.194) 7.253 9.062 ( -1.863 -0.376 0.341) 1.931 9.129 ( 0.395 -0.885 1.447) 1.741 9.175 ( -0.114 -4.108 0.833) 4.193 9.263 ( 0.205 3.519 -1.322) 3.765 9.424 ( -2.366 0.483 -2.490) 3.469 9.516 ( -0.887 2.954 -4.385) 5.361 9.547 ( 0.573 0.347 1.040) 1.237 9.617 ( -4.416 -0.121 1.249) 4.591 9.698 ( 1.714 0.546 2.524) 3.099 9.780 ( -0.778 1.981 2.227) 3.080 9.806 ( -2.625 0.436 -2.905) 3.940 9.887 ( 1.751 -3.447 3.144) 4.983 9.913 ( 5.167 -4.201 -2.489) 7.109 10.057 ( -2.353 4.738 2.575) 5.883 10.209 ( 1.721 3.293 0.997) 3.847 10.267 ( -1.880 0.474 -2.609) 3.251 10.307 ( 0.186 -1.464 0.287) 1.503 10.454 ( -1.346 3.200 -0.525) 3.511 10.494 ( 2.686 0.711 -1.236) 3.040 10.520 ( 0.312 -1.633 1.557) 2.278 10.607 ( -0.380 3.809 2.236) 4.434 10.670 ( 2.134 0.620 -1.925) 2.940 10.740 ( 3.891 0.006 1.705) 4.248 10.789 ( -0.498 0.157 -1.751) 1.827 10.934 ( 1.707 -1.707 -0.399) 2.447 10.970 ( -0.458 6.951 1.491) 7.124 11.069 ( 1.591 1.553 0.574) 2.296 11.256 ( 3.050 12.271 -1.426) 12.724 11.384 ( 0.513 1.724 -4.631) 4.968 11.531 ( 1.153 -3.992 -8.062) 9.069 11.625 ( 0.290 1.159 -3.622) 3.814 11.869 ( 0.341 -2.129 -0.067) 2.157 12.165 ( 12.496 -8.962 3.533) 15.778 12.449 ( -2.254 -6.666 -1.241) 7.145 12.578 ( -4.068 -6.940 4.466) 9.200 12.777 ( -3.604 1.413 -6.451) 7.524 13.111 ( -8.684 -5.161 7.555) 12.614 13.234 ( -5.144 3.998 4.705) 8.036 13.366 ( 14.406 -9.539 3.878) 17.707 13.942 ( 4.874 8.052 1.683) 9.561 14.175 ( 1.301 -4.555 1.777) 5.060 14.285 ( 1.331 0.937 2.572) 3.044 14.297 ( 1.175 0.695 2.267) 2.646 14.651 ( 1.218 7.875 -5.620) 9.751 14.869 ( 4.088 -0.652 -8.688) 9.624 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.962 3.429 2.262) 6.442 1.542 ( -11.868 0.722 -11.694) 16.677 1.775 ( 3.673 -1.218 -4.160) 5.681 1.833 ( 7.308 -1.337 -4.266) 8.567 1.908 ( -20.867 2.093 4.586) 21.467 2.227 ( 1.984 -5.889 -12.922) 14.339 2.556 ( -4.411 -1.517 -3.474) 5.816 2.673 ( -3.466 3.692 -7.039) 8.672 2.731 ( 1.511 -2.472 0.940) 3.046 2.861 ( -9.362 7.048 0.725) 11.741 2.921 ( 3.680 -6.851 -6.475) 10.119 3.045 ( -3.808 3.849 8.152) 9.786 3.145 ( 0.804 4.172 -4.130) 5.925 3.192 ( -7.363 0.147 -7.269) 10.348 3.244 ( 8.527 5.458 -6.164) 11.853 3.318 ( 3.900 -0.045 1.471) 4.169 3.348 ( 2.064 1.778 3.893) 4.751 3.429 ( 3.954 6.364 3.390) 8.224 3.535 ( -8.367 4.850 0.553) 9.687 3.595 ( 3.339 2.570 -3.493) 5.473 3.642 ( 7.063 0.520 8.787) 11.285 3.761 ( -1.969 -7.675 -1.795) 8.124 3.815 ( 0.979 -2.016 3.297) 3.987 3.904 ( 1.604 -3.556 4.840) 6.217 4.012 ( -1.321 2.759 4.787) 5.681 4.025 ( -2.501 -7.482 0.513) 7.906 4.111 ( 0.272 -7.112 6.286) 9.496 4.192 ( 0.029 -2.341 0.486) 2.391 4.335 ( 0.817 3.448 -3.394) 4.906 4.453 ( 2.598 6.335 -6.063) 9.146 4.612 ( 1.356 -3.770 0.628) 4.056 4.726 ( 8.190 0.235 3.969) 9.104 4.786 ( -2.364 -3.350 4.950) 6.427 4.928 ( 0.771 0.668 0.866) 1.337 4.977 ( -3.484 -8.822 2.263) 9.751 5.064 ( 1.424 -2.788 -1.346) 3.408 5.114 ( 1.645 -1.509 -0.517) 2.291 5.195 ( -1.256 -0.714 -1.790) 2.300 5.291 ( -3.847 2.141 0.251) 4.409 5.361 ( -7.289 0.327 -1.793) 7.513 5.426 ( -1.094 1.715 1.400) 2.469 5.439 ( -1.456 3.376 -1.388) 3.930 5.489 ( -0.495 2.056 2.154) 3.019 5.580 ( -3.623 -0.355 0.660) 3.699 5.672 ( -0.893 4.404 1.048) 4.614 5.703 ( 1.954 1.324 2.362) 3.339 5.814 ( -9.184 0.099 -0.842) 9.223 5.867 ( 0.393 2.736 -1.559) 3.173 5.994 ( -6.177 -2.375 -1.896) 6.884 6.055 ( -0.060 3.187 -2.273) 3.915 6.093 ( -3.303 -1.592 -3.389) 4.993 6.152 ( -0.448 1.753 -1.100) 2.118 6.255 ( -2.398 -3.068 0.861) 3.988 6.309 ( -1.799 1.374 -1.506) 2.719 6.379 ( -3.595 1.493 -1.389) 4.133 6.520 ( 1.568 -6.270 -3.485) 7.343 6.625 ( -4.499 1.178 -2.150) 5.124 6.736 ( -6.079 -2.203 2.336) 6.875 6.880 ( -8.087 2.257 -1.679) 8.562 6.906 ( -8.436 0.874 -1.481) 8.610 7.199 ( -5.029 1.307 9.546) 10.869 7.289 ( -7.668 -2.185 4.233) 9.027 7.665 ( -6.102 0.880 1.002) 6.246 7.756 ( -4.748 3.622 1.028) 6.060 7.848 ( -0.810 1.595 0.996) 2.047 7.915 ( -7.910 -6.296 1.542) 10.226 8.079 ( -4.138 -2.685 -2.449) 5.507 8.164 ( -5.544 -6.397 2.039) 8.707 8.230 ( -6.859 5.641 0.544) 8.898 8.401 ( -5.464 -2.174 1.144) 5.991 8.586 ( -2.705 -4.985 -1.857) 5.968 8.612 ( -4.306 -4.857 -6.442) 9.145 8.703 ( -0.924 6.376 4.509) 7.864 8.820 ( 3.685 1.468 2.845) 4.882 8.922 ( -1.866 4.597 1.695) 5.243 9.031 ( -0.597 -1.748 -3.440) 3.904 9.116 ( -1.948 -0.600 -0.182) 2.047 9.153 ( -2.264 -0.341 2.740) 3.571 9.249 ( -6.489 4.316 -1.603) 7.957 9.353 ( -2.627 3.535 1.872) 4.785 9.444 ( -9.352 -0.665 1.161) 9.448 9.503 ( 0.065 0.900 -3.439) 3.555 9.557 ( 1.205 -6.249 -0.174) 6.367 9.712 ( -2.923 -4.282 -2.751) 5.869 9.804 ( 4.590 4.748 3.788) 7.613 9.880 ( 7.181 1.752 -1.779) 7.603 9.964 ( 2.892 0.881 0.305) 3.038 10.016 ( 4.603 2.517 -2.131) 5.663 10.023 ( 0.824 0.563 -0.045) 0.999 10.251 ( 1.860 0.754 2.595) 3.280 10.267 ( 2.823 -3.566 -2.305) 5.099 10.319 ( 0.454 -1.650 1.768) 2.460 10.449 ( 1.452 -0.738 2.160) 2.705 10.511 ( -0.016 -2.899 1.785) 3.405 10.566 ( 1.269 1.184 -0.509) 1.809 10.606 ( 0.616 2.037 5.011) 5.444 10.681 ( 1.012 4.764 -1.713) 5.163 10.759 ( -0.184 2.361 -1.399) 2.751 10.886 ( -3.422 0.561 -0.748) 3.547 10.907 ( 8.274 -2.696 3.061) 9.225 10.982 ( 0.649 1.789 2.256) 2.952 11.122 ( 3.511 -2.862 -4.068) 6.089 11.311 ( -4.312 1.015 -10.018) 10.954 11.426 ( 9.900 10.710 0.813) 14.607 11.552 ( -0.903 -5.646 -4.324) 7.168 11.673 ( 3.799 4.005 -1.276) 5.666 11.936 ( 5.069 -0.146 -0.498) 5.096 12.345 ( -0.934 -0.986 6.032) 6.183 12.461 ( 6.454 -9.901 -2.096) 12.003 12.610 ( 6.756 -3.332 -2.330) 7.885 12.681 ( -3.507 4.316 -9.454) 10.968 12.886 ( -13.345 -6.157 4.016) 15.235 13.192 ( 0.537 9.640 3.379) 10.229 13.689 ( 15.690 -13.481 6.455) 21.670 14.041 ( 4.233 3.782 3.533) 6.687 14.201 ( 1.164 -3.515 3.171) 4.875 14.317 ( 0.510 0.973 2.721) 2.934 14.331 ( 3.254 -0.440 3.088) 4.508 14.746 ( 9.335 9.265 -4.001) 13.747 14.980 ( 6.940 -0.673 -6.658) 9.641 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -20.731 13.764 -8.954) 26.446 1.430 ( -22.964 8.004 9.494) 26.106 1.628 ( 5.569 1.610 1.197) 5.919 1.896 ( 3.237 -16.411 -4.727) 17.382 2.096 ( 5.859 -6.551 -2.281) 9.080 2.173 ( 3.630 -10.431 -0.998) 11.090 2.419 ( -21.812 17.988 11.119) 30.381 2.651 ( -2.559 7.240 -7.760) 10.917 2.690 ( 8.553 1.672 -13.101) 15.735 2.791 ( 2.708 -1.030 0.988) 3.061 2.905 ( -3.392 1.078 -3.483) 4.980 2.989 ( -1.925 6.809 -4.884) 8.598 3.091 ( -0.807 -2.758 -6.507) 7.113 3.183 ( -0.633 6.527 0.891) 6.618 3.254 ( -8.422 -0.930 -5.436) 10.067 3.306 ( -0.330 6.401 4.155) 7.638 3.377 ( 1.493 0.082 -3.077) 3.421 3.415 ( 2.827 3.849 0.521) 4.804 3.533 ( 1.716 -2.013 -0.986) 2.823 3.675 ( -2.302 -7.922 -2.830) 8.721 3.719 ( 0.248 -5.473 -2.708) 6.112 3.783 ( 2.780 -0.894 2.605) 3.913 3.862 ( -0.176 -4.027 5.647) 6.938 3.886 ( 7.278 -4.059 7.370) 11.125 3.965 ( -1.953 -5.967 -0.094) 6.279 4.017 ( -2.719 -7.451 4.875) 9.310 4.157 ( 2.954 2.629 3.521) 5.295 4.218 ( 3.534 3.157 1.047) 4.853 4.359 ( 2.047 -2.249 -4.194) 5.181 4.491 ( 0.725 2.352 -3.279) 4.099 4.624 ( -1.480 -3.794 0.285) 4.082 4.744 ( -1.410 -3.724 2.314) 4.605 4.833 ( 0.515 -0.744 5.525) 5.599 4.902 ( -3.197 0.735 3.106) 4.517 4.930 ( -3.452 -3.650 5.122) 7.174 5.029 ( -5.989 -0.665 -1.604) 6.236 5.078 ( -0.855 -0.830 -0.452) 1.275 5.192 ( -5.426 0.920 -1.473) 5.697 5.238 ( -1.931 2.805 -2.748) 4.376 5.268 ( 3.891 -2.499 1.235) 4.786 5.375 ( -4.104 8.046 -4.182) 9.954 5.409 ( -1.429 3.935 -2.522) 4.887 5.494 ( -2.631 0.761 -0.426) 2.771 5.524 ( 1.503 0.436 4.828) 5.075 5.614 ( -0.494 0.166 -0.550) 0.757 5.664 ( -6.201 -0.146 -2.781) 6.798 5.694 ( -2.909 3.005 1.119) 4.330 5.829 ( -2.097 -2.188 0.101) 3.032 5.902 ( -3.872 0.412 0.591) 3.938 6.000 ( -3.613 -1.576 -2.259) 4.543 6.050 ( -1.704 6.220 0.757) 6.494 6.143 ( -1.030 1.831 -1.220) 2.430 6.180 ( -5.376 -3.507 0.497) 6.438 6.256 ( -3.851 1.143 -1.775) 4.392 6.314 ( -2.268 0.943 -5.539) 6.060 6.440 ( -8.001 -0.801 -1.238) 8.135 6.545 ( -6.016 -4.777 -0.084) 7.683 6.573 ( -7.101 -1.247 -1.954) 7.470 6.734 ( -6.690 2.281 -1.328) 7.192 6.750 ( -2.881 2.264 -3.906) 5.355 7.106 ( -3.519 0.819 8.226) 8.984 7.171 ( -3.279 -1.683 5.246) 6.411 7.561 ( -3.432 0.565 1.197) 3.678 7.668 ( -4.250 1.417 1.751) 4.810 7.804 ( -2.220 -1.519 2.458) 3.643 7.843 ( -1.269 4.082 1.271) 4.459 7.977 ( -5.685 -1.931 -2.620) 6.551 8.032 ( -6.297 -3.658 -1.120) 7.368 8.162 ( -0.474 -0.496 -0.325) 0.760 8.287 ( -4.182 -1.908 -0.920) 4.688 8.463 ( -5.256 -1.444 -3.655) 6.563 8.568 ( -2.320 -3.960 -0.800) 4.659 8.688 ( -0.700 9.128 1.870) 9.344 8.852 ( -0.831 3.332 1.006) 3.579 8.917 ( 0.558 1.269 2.061) 2.484 8.995 ( -3.815 0.192 0.418) 3.842 9.073 ( -1.383 -0.403 0.683) 1.594 9.089 ( -3.349 -1.122 -1.190) 3.727 9.160 ( 1.261 1.004 3.944) 4.260 9.240 ( -5.910 -0.655 0.515) 5.968 9.334 ( -3.088 -1.183 1.943) 3.835 9.515 ( 0.747 -0.380 -2.564) 2.697 9.571 ( -1.142 -7.105 -2.583) 7.646 9.620 ( -5.296 -2.966 -1.068) 6.163 9.880 ( 1.731 3.318 1.610) 4.074 9.939 ( -1.481 3.398 -3.542) 5.127 10.025 ( 5.971 -0.413 -0.884) 6.050 10.078 ( 4.200 -1.462 -0.587) 4.485 10.160 ( 6.077 2.150 -1.230) 6.562 10.290 ( -0.890 0.286 2.024) 2.229 10.312 ( 2.229 -0.519 1.285) 2.624 10.316 ( 0.487 -0.106 2.981) 3.023 10.511 ( -1.042 -1.871 1.247) 2.478 10.534 ( 3.711 -2.574 5.333) 6.989 10.549 ( 1.336 -1.593 -0.394) 2.116 10.625 ( 2.519 -1.523 1.446) 3.279 10.722 ( 0.665 4.238 1.309) 4.485 10.766 ( 0.160 1.004 -0.898) 1.357 10.858 ( 1.490 -1.010 4.554) 4.896 10.978 ( -0.448 2.413 1.138) 2.705 11.068 ( 5.543 -4.983 1.522) 7.607 11.194 ( 3.060 -3.245 -4.315) 6.206 11.214 ( -2.826 -0.113 -12.160) 12.485 11.495 ( -3.680 -9.904 -4.208) 11.372 11.637 ( 8.832 11.630 3.514) 15.020 11.747 ( 3.116 3.277 -2.133) 5.000 12.031 ( 2.341 6.229 0.020) 6.655 12.228 ( -7.285 6.175 0.935) 9.596 12.489 ( -5.965 -8.864 -6.670) 12.596 12.559 ( -14.186 -5.614 8.288) 17.363 12.689 ( 4.471 5.288 -6.991) 9.840 12.841 ( 10.103 -1.584 -12.032) 15.791 13.257 ( 5.851 12.203 4.530) 14.271 13.948 ( 7.935 -14.750 4.063) 17.235 14.106 ( 2.033 1.513 2.968) 3.902 14.216 ( -0.086 -3.134 2.242) 3.854 14.338 ( 2.389 1.611 6.458) 7.072 14.432 ( 6.566 -4.398 4.784) 9.238 15.015 ( 14.949 9.121 -2.097) 17.637 15.182 ( 14.241 1.583 -1.569) 14.415 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -14.745 21.915 -0.221) 26.414 1.029 ( -13.832 16.840 17.030) 27.658 1.711 ( -3.734 -12.552 -0.673) 13.113 1.793 ( -13.758 13.646 13.421) 23.572 1.903 ( -9.256 -7.888 6.196) 13.648 2.220 ( 8.489 -3.616 -2.600) 9.587 2.411 ( 7.257 -8.132 -0.809) 10.929 2.623 ( 0.106 9.127 -5.534) 10.674 2.713 ( -6.366 6.164 -6.868) 11.211 2.794 ( 2.513 10.123 -6.534) 12.308 2.921 ( -2.113 -1.131 -10.437) 10.708 2.976 ( -5.453 0.920 -10.135) 11.545 3.043 ( 0.806 -8.335 -0.501) 8.389 3.157 ( 7.008 5.312 -10.221) 13.483 3.240 ( 0.281 -0.363 -0.298) 0.548 3.296 ( -1.182 -2.347 7.110) 7.580 3.384 ( 0.104 2.092 -0.991) 2.317 3.484 ( -1.862 -2.575 1.106) 3.364 3.515 ( 4.711 1.104 0.423) 4.857 3.571 ( -5.080 -8.503 -4.596) 10.919 3.778 ( 1.844 -2.708 4.476) 5.547 3.805 ( -0.917 -2.181 -0.307) 2.386 3.855 ( -4.751 -3.364 -0.605) 5.853 3.908 ( 3.451 -3.618 6.103) 7.890 4.004 ( 3.285 -2.822 1.835) 4.703 4.044 ( 2.807 -3.200 0.514) 4.287 4.145 ( -1.117 3.790 -1.630) 4.274 4.327 ( 3.150 0.952 1.154) 3.487 4.379 ( -0.512 -3.062 -3.095) 4.383 4.511 ( 1.983 -0.714 -0.751) 2.237 4.578 ( -1.572 -5.526 -0.358) 5.757 4.682 ( -5.047 -0.382 -0.024) 5.061 4.783 ( -6.584 -0.784 4.826) 8.201 4.798 ( -4.416 -1.989 5.034) 6.985 4.833 ( -4.258 0.420 0.022) 4.278 4.909 ( -2.398 -2.352 0.004) 3.359 5.062 ( -1.931 -1.784 1.899) 3.243 5.136 ( -1.314 -0.726 2.890) 3.257 5.185 ( -3.045 5.524 -4.753) 7.897 5.257 ( -5.044 2.059 -0.232) 5.453 5.304 ( -1.075 3.154 -2.186) 3.985 5.399 ( -1.317 -0.696 -0.160) 1.499 5.452 ( -1.556 1.944 -2.283) 3.378 5.541 ( 1.576 1.125 -0.882) 2.128 5.586 ( -1.224 -1.513 -0.773) 2.094 5.617 ( -0.528 8.101 1.591) 8.273 5.687 ( -0.030 -4.589 -4.145) 6.184 5.803 ( -0.368 3.568 0.796) 3.674 5.820 ( -3.946 5.516 -1.034) 6.860 5.917 ( -6.108 -1.774 0.628) 6.392 5.978 ( -2.853 -0.308 3.407) 4.454 6.093 ( -2.563 0.515 0.315) 2.633 6.110 ( 0.527 1.810 2.510) 3.139 6.185 ( -3.182 -0.659 0.206) 3.256 6.249 ( -3.855 0.181 -3.917) 5.499 6.316 ( -3.396 -1.105 -3.239) 4.821 6.435 ( -3.982 -0.688 -1.881) 4.457 6.444 ( -3.566 -1.317 0.249) 3.809 6.661 ( 0.082 3.164 -6.160) 6.926 6.751 ( 1.628 1.175 -3.747) 4.251 7.066 ( -1.235 0.049 4.750) 4.908 7.139 ( -0.499 -1.909 6.044) 6.358 7.523 ( -0.356 0.295 1.095) 1.188 7.591 ( -3.162 -0.965 2.228) 3.987 7.742 ( -4.995 2.723 1.035) 5.782 7.814 ( -1.549 4.238 0.389) 4.529 7.897 ( -2.007 -1.276 -3.201) 3.987 7.938 ( -1.106 1.520 -1.856) 2.641 8.128 ( -2.385 -0.652 -5.737) 6.247 8.290 ( 2.670 -5.963 1.414) 6.685 8.396 ( -1.505 -0.310 -0.862) 1.762 8.514 ( -2.601 -3.155 1.811) 4.472 8.661 ( -2.077 9.322 -2.018) 9.762 8.839 ( 0.881 2.646 0.592) 2.851 8.914 ( -0.847 -0.326 5.385) 5.461 8.933 ( -2.313 2.055 4.022) 5.074 9.053 ( 1.934 -3.910 1.771) 4.708 9.109 ( 3.794 -2.271 -1.319) 4.615 9.180 ( -0.489 1.083 2.009) 2.334 9.221 ( 2.663 -1.342 3.860) 4.878 9.264 ( -3.677 -3.445 -0.642) 5.080 9.411 ( -11.817 -8.406 -5.778) 15.611 9.532 ( 0.783 1.190 -2.778) 3.121 9.574 ( -1.495 0.812 0.046) 1.702 9.884 ( -0.219 3.686 -2.133) 4.264 9.933 ( 0.146 0.148 0.056) 0.215 10.119 ( 2.085 -0.955 -0.058) 2.294 10.155 ( 3.232 -4.309 0.712) 5.433 10.217 ( -0.067 2.346 -1.009) 2.555 10.244 ( -1.776 3.599 1.033) 4.144 10.327 ( 0.025 -0.912 2.099) 2.288 10.363 ( 2.601 0.922 4.319) 5.125 10.482 ( -0.051 -0.153 0.730) 0.748 10.588 ( 2.021 -0.553 2.868) 3.552 10.613 ( 2.901 -2.462 3.339) 5.062 10.702 ( -1.457 -1.566 -0.328) 2.164 10.716 ( 1.760 -3.085 1.178) 3.742 10.756 ( 1.463 -3.162 1.922) 3.979 10.921 ( 3.085 -1.895 8.207) 8.970 10.964 ( -0.979 1.697 0.908) 2.160 11.084 ( -0.113 -2.364 -7.512) 7.876 11.209 ( 0.561 2.503 -6.087) 6.606 11.299 ( 6.320 -3.783 -0.004) 7.366 11.407 ( -4.236 -12.752 -3.602) 13.911 11.735 ( 0.041 5.847 2.736) 6.456 11.834 ( 5.061 7.454 -3.524) 9.674 11.937 ( -7.847 6.054 0.041) 9.911 12.114 ( -9.071 1.497 -3.770) 9.937 12.279 ( -5.511 -0.384 1.617) 5.756 12.393 ( -3.287 0.714 -1.088) 3.535 12.793 ( 4.839 10.267 -8.593) 14.237 13.008 ( 5.793 -1.429 -14.466) 15.648 13.390 ( 5.625 7.454 8.487) 12.619 14.000 ( -2.233 -10.703 -0.294) 10.937 14.128 ( 0.350 0.358 1.059) 1.171 14.208 ( -0.255 -2.426 0.188) 2.446 14.405 ( 2.961 0.039 9.983) 10.413 14.575 ( 5.991 -10.168 7.554) 14.012 15.293 ( 11.348 13.364 -1.841) 17.628 15.561 ( 20.241 0.374 1.349) 20.289 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 1.474 -27.087 -2.499) 27.242 1.149 ( 1.474 27.087 -2.499) 27.242 1.391 ( -2.143 -24.879 12.002) 27.706 1.391 ( -2.143 24.879 12.002) 27.706 2.291 ( -0.497 -27.132 6.079) 27.809 2.291 ( -0.497 27.132 6.079) 27.809 2.461 ( 6.094 -11.883 -1.562) 13.445 2.461 ( 6.094 11.883 -1.562) 13.445 2.708 ( -2.871 -5.606 -3.802) 7.357 2.708 ( -2.871 5.606 -3.802) 7.357 2.970 ( -4.778 -8.683 -4.690) 10.965 2.970 ( -4.778 8.683 -4.690) 10.965 3.043 ( 1.639 -5.309 -8.680) 10.306 3.043 ( 1.639 5.309 -8.680) 10.306 3.234 ( -1.517 -6.034 -6.105) 8.717 3.234 ( -1.517 6.034 -6.105) 8.717 3.394 ( 0.178 -3.006 3.677) 4.753 3.394 ( 0.178 3.006 3.677) 4.753 3.581 ( 1.172 -6.253 -2.339) 6.778 3.581 ( 1.172 6.253 -2.339) 6.778 3.781 ( 2.385 -6.797 2.631) 7.668 3.781 ( 2.385 6.797 2.631) 7.668 3.910 ( -1.661 -6.692 0.586) 6.920 3.910 ( -1.661 6.692 0.586) 6.920 4.058 ( 4.265 -1.992 4.972) 6.847 4.058 ( 4.265 1.992 4.972) 6.847 4.195 ( -0.775 -8.953 -5.086) 10.326 4.195 ( -0.775 8.953 -5.086) 10.326 4.437 ( -1.606 -2.556 1.634) 3.433 4.437 ( -1.606 2.556 1.634) 3.433 4.545 ( 0.359 -3.149 -2.181) 3.847 4.545 ( 0.359 3.149 -2.181) 3.847 4.719 ( -2.229 -1.619 1.438) 3.108 4.719 ( -2.229 1.619 1.438) 3.108 4.829 ( 0.513 -4.084 1.287) 4.312 4.829 ( 0.513 4.084 1.287) 4.312 4.984 ( -3.348 -3.275 3.775) 6.016 4.984 ( -3.348 3.275 3.775) 6.016 5.219 ( -2.322 -1.811 -5.399) 6.150 5.219 ( -2.322 1.811 -5.399) 6.150 5.347 ( 1.559 -0.809 0.085) 1.759 5.347 ( 1.559 0.809 0.085) 1.759 5.504 ( 0.149 -3.503 -2.312) 4.199 5.504 ( 0.149 3.503 -2.312) 4.199 5.601 ( 1.010 -1.225 1.331) 2.072 5.601 ( 1.010 1.225 1.331) 2.072 5.768 ( 1.515 -3.349 0.879) 3.779 5.768 ( 1.515 3.349 0.879) 3.779 5.902 ( 0.752 -3.127 1.372) 3.497 5.902 ( 0.752 3.127 1.372) 3.497 6.054 ( 1.296 -8.421 -2.110) 8.777 6.054 ( 1.296 8.421 -2.110) 8.777 6.140 ( 0.906 -1.978 0.447) 2.221 6.140 ( 0.906 1.978 0.447) 2.221 6.205 ( -0.262 -1.271 2.002) 2.386 6.205 ( -0.262 1.271 2.002) 2.386 6.372 ( -1.155 -0.533 -0.575) 1.396 6.372 ( -1.155 0.533 -0.575) 1.396 6.809 ( 3.503 -3.159 -9.031) 10.188 6.809 ( 3.503 3.159 -9.031) 10.188 7.059 ( -1.621 -3.064 6.088) 7.005 7.059 ( -1.621 3.064 6.088) 7.005 7.522 ( 0.110 -1.602 0.573) 1.705 7.522 ( 0.110 1.602 0.573) 1.705 7.721 ( -5.431 -5.059 3.453) 8.186 7.721 ( -5.431 5.059 3.453) 8.186 7.951 ( 2.730 -4.332 -0.986) 5.215 7.951 ( 2.730 4.332 -0.986) 5.215 8.176 ( 1.720 -5.311 -4.129) 6.944 8.176 ( 1.720 5.311 -4.129) 6.944 8.420 ( 0.305 -2.276 -0.433) 2.337 8.420 ( 0.305 2.276 -0.433) 2.337 8.781 ( -4.802 -6.302 -5.092) 9.418 8.781 ( -4.802 6.302 -5.092) 9.418 8.927 ( 1.377 -3.528 3.683) 5.283 8.927 ( 1.377 3.528 3.683) 5.283 9.015 ( -3.456 -6.238 3.391) 7.896 9.015 ( -3.456 6.238 3.391) 7.896 9.200 ( 0.145 -1.316 1.411) 1.935 9.200 ( 0.145 1.316 1.411) 1.935 9.279 ( 4.228 -0.904 0.972) 4.431 9.279 ( 4.228 0.904 0.972) 4.431 9.573 ( -0.389 -2.679 -0.307) 2.724 9.573 ( -0.389 2.679 -0.307) 2.724 9.898 ( -1.729 -0.342 -1.674) 2.431 9.898 ( -1.729 0.342 -1.674) 2.431 10.146 ( 2.113 -0.934 -0.268) 2.326 10.146 ( 2.113 0.934 -0.268) 2.326 10.250 ( -0.434 -1.400 0.004) 1.466 10.250 ( -0.434 1.400 0.004) 1.466 10.383 ( 1.737 -3.701 2.533) 4.809 10.383 ( 1.737 3.701 2.533) 4.809 10.564 ( 1.191 -3.585 1.224) 3.971 10.564 ( 1.191 3.585 1.224) 3.971 10.619 ( -1.111 -2.486 2.087) 3.431 10.619 ( -1.111 2.486 2.087) 3.431 10.710 ( 0.743 -2.103 3.040) 3.771 10.710 ( 0.743 2.103 3.040) 3.771 10.933 ( -0.801 -1.014 4.257) 4.449 10.933 ( -0.801 1.014 4.257) 4.449 11.130 ( -1.646 -4.641 -2.976) 5.754 11.130 ( -1.646 4.641 -2.976) 5.754 11.331 ( 3.482 -3.244 -1.970) 5.151 11.331 ( 3.482 3.244 -1.970) 5.151 11.810 ( -5.086 -6.573 -2.363) 8.640 11.810 ( -5.086 6.573 -2.363) 8.640 11.897 ( -0.581 -3.284 -1.616) 3.706 11.897 ( -0.581 3.284 -1.616) 3.706 12.417 ( 6.645 -4.675 -2.093) 8.390 12.417 ( 6.645 4.675 -2.093) 8.390 13.053 ( 1.862 -4.325 -12.684) 13.530 13.053 ( 1.862 4.325 -12.684) 13.530 13.676 ( -2.363 -14.844 6.560) 16.401 13.676 ( -2.363 14.844 6.560) 16.401 14.150 ( -0.362 -2.404 0.365) 2.459 14.150 ( -0.362 2.404 0.365) 2.459 14.473 ( -0.090 -4.563 8.966) 10.061 14.473 ( -0.090 4.563 8.966) 10.061 15.660 ( -1.755 -9.114 -2.632) 9.647 15.660 ( -1.755 9.114 -2.632) 9.647 ======================= Grid point 65 (35/84) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 9.566 -24.328 -0.639) 26.149 1.302 ( 9.566 24.328 -0.639) 26.149 1.395 ( 6.244 -21.351 7.770) 23.563 1.395 ( 6.244 21.351 7.770) 23.563 2.323 ( -2.100 -8.469 -2.280) 9.019 2.323 ( -2.100 8.469 -2.280) 9.019 2.537 ( 1.069 -17.282 6.837) 18.616 2.537 ( 1.069 17.282 6.837) 18.616 2.745 ( 7.099 -6.817 -1.879) 10.020 2.745 ( 7.099 6.817 -1.879) 10.020 2.868 ( -1.186 -5.656 -10.184) 11.709 2.868 ( -1.186 5.656 -10.184) 11.709 3.086 ( 0.873 -4.822 -12.978) 13.873 3.086 ( 0.873 4.822 -12.978) 13.873 3.184 ( -1.699 -9.888 0.714) 10.059 3.184 ( -1.699 9.888 0.714) 10.059 3.397 ( 0.524 -6.505 2.481) 6.982 3.397 ( 0.524 6.505 2.481) 6.982 3.589 ( -0.298 -3.616 1.774) 4.039 3.589 ( -0.298 3.616 1.774) 4.039 3.804 ( -1.657 -6.618 -1.289) 6.943 3.804 ( -1.657 6.618 -1.289) 6.943 3.870 ( -1.775 -7.309 0.597) 7.545 3.870 ( -1.775 7.309 0.597) 7.545 4.059 ( -1.657 -4.004 4.999) 6.615 4.059 ( -1.657 4.004 4.999) 6.615 4.257 ( 3.317 -8.128 0.818) 8.817 4.257 ( 3.317 8.128 0.818) 8.817 4.363 ( -2.071 -3.750 0.440) 4.306 4.363 ( -2.071 3.750 0.440) 4.306 4.630 ( 4.205 -3.859 -0.903) 5.778 4.630 ( 4.205 3.859 -0.903) 5.778 4.682 ( -0.760 -1.255 0.524) 1.558 4.682 ( -0.760 1.255 0.524) 1.558 4.876 ( 3.692 -3.039 -1.789) 5.105 4.876 ( 3.692 3.039 -1.789) 5.105 4.982 ( 3.145 -4.163 2.627) 5.842 4.982 ( 3.145 4.163 2.627) 5.842 5.207 ( 0.738 -0.989 -0.918) 1.538 5.207 ( 0.738 0.989 -0.918) 1.538 5.400 ( 3.806 -3.665 -2.952) 6.052 5.400 ( 3.806 3.665 -2.952) 6.052 5.508 ( -0.307 -1.364 -1.291) 1.904 5.508 ( -0.307 1.364 -1.291) 1.904 5.641 ( 2.462 -2.404 0.917) 3.561 5.641 ( 2.462 2.404 0.917) 3.561 5.817 ( 2.667 -4.113 1.253) 5.059 5.817 ( 2.667 4.113 1.253) 5.059 5.930 ( 2.218 -5.047 -0.217) 5.517 5.930 ( 2.218 5.047 -0.217) 5.517 6.104 ( 1.013 -5.559 -1.436) 5.830 6.104 ( 1.013 5.559 -1.436) 5.830 6.163 ( 0.789 -2.440 -0.860) 2.704 6.163 ( 0.789 2.440 -0.860) 2.704 6.251 ( 6.219 -2.737 2.364) 7.194 6.251 ( 6.219 2.737 2.364) 7.194 6.399 ( 4.093 -0.379 -0.835) 4.194 6.399 ( 4.093 0.379 -0.835) 4.194 6.821 ( -1.991 -4.597 -7.688) 9.176 6.821 ( -1.991 4.597 -7.688) 9.176 7.068 ( 3.038 -4.720 8.440) 10.136 7.068 ( 3.038 4.720 8.440) 10.136 7.544 ( 1.603 -3.620 -0.338) 3.973 7.544 ( 1.603 3.620 -0.338) 3.973 7.647 ( -0.986 -4.132 0.619) 4.293 7.647 ( -0.986 4.132 0.619) 4.293 8.023 ( 4.453 -5.158 -0.805) 6.861 8.023 ( 4.453 5.158 -0.805) 6.861 8.224 ( 2.498 -3.541 0.008) 4.334 8.224 ( 2.498 3.541 0.008) 4.334 8.455 ( 3.074 -1.006 -2.323) 3.982 8.455 ( 3.074 1.006 -2.323) 3.982 8.707 ( -1.043 -2.204 -2.511) 3.500 8.707 ( -1.043 2.204 -2.511) 3.500 8.925 ( -2.762 -8.357 0.487) 8.815 8.925 ( -2.762 8.357 0.487) 8.815 8.991 ( 2.877 -0.884 3.248) 4.428 8.991 ( 2.877 0.884 3.248) 4.428 9.178 ( -1.999 -3.617 1.475) 4.388 9.178 ( -1.999 3.617 1.475) 4.388 9.346 ( 1.092 -2.011 -0.364) 2.317 9.346 ( 1.092 2.011 -0.364) 2.317 9.591 ( 3.246 -2.511 1.801) 4.481 9.591 ( 3.246 2.511 1.801) 4.481 9.883 ( 0.027 -1.301 -2.388) 2.720 9.883 ( 0.027 1.301 -2.388) 2.720 10.178 ( 0.296 -1.112 -0.196) 1.167 10.178 ( 0.296 1.112 -0.196) 1.167 10.257 ( 0.696 -1.906 1.096) 2.306 10.257 ( 0.696 1.906 1.096) 2.306 10.388 ( -1.261 -2.134 1.156) 2.735 10.388 ( -1.261 2.134 1.156) 2.735 10.533 ( -3.804 -2.515 2.545) 5.223 10.533 ( -3.804 2.515 2.545) 5.223 10.613 ( 0.452 -4.176 0.309) 4.211 10.613 ( 0.452 4.176 0.309) 4.211 10.722 ( 0.009 -3.960 2.960) 4.944 10.722 ( 0.009 3.960 2.960) 4.944 10.917 ( -0.814 -1.287 2.630) 3.039 10.917 ( -0.814 1.287 2.630) 3.039 11.083 ( -2.935 -1.314 -3.062) 4.440 11.083 ( -2.935 1.314 -3.062) 4.440 11.399 ( 2.855 -2.178 0.210) 3.597 11.399 ( 2.855 2.178 0.210) 3.597 11.729 ( -2.826 -7.202 -3.811) 8.624 11.729 ( -2.826 7.202 -3.811) 8.624 11.964 ( 6.043 -4.604 -3.305) 8.284 11.964 ( 6.043 4.604 -3.305) 8.284 12.593 ( 8.705 -7.168 2.545) 11.560 12.593 ( 8.705 7.168 2.545) 11.560 13.034 ( -3.147 -5.101 -12.116) 13.517 13.034 ( -3.147 5.101 -12.116) 13.517 13.599 ( -4.495 -11.066 6.385) 13.544 13.599 ( -4.495 11.066 6.385) 13.544 14.136 ( -1.378 -3.190 0.210) 3.481 14.136 ( -1.378 3.190 0.210) 3.481 14.438 ( -3.170 -4.291 7.956) 9.579 14.438 ( -3.170 4.291 7.956) 9.579 15.431 ( -17.962 -5.519 -2.635) 18.975 15.431 ( -17.962 5.519 -2.635) 18.975 ======================= Grid point 67 (36/84) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 7.581 -13.582 1.954) 15.677 1.439 ( 7.581 13.582 1.954) 15.677 1.704 ( 16.975 -14.578 -1.598) 22.433 1.704 ( 16.975 14.578 -1.598) 22.433 2.133 ( -12.072 -3.508 3.208) 12.975 2.133 ( -12.072 3.508 3.208) 12.975 2.505 ( -2.445 -8.792 -9.534) 13.197 2.505 ( -2.445 8.792 -9.534) 13.197 2.858 ( 0.425 -3.518 -8.977) 9.651 2.858 ( 0.425 3.518 -8.977) 9.651 2.968 ( 1.421 -1.595 2.790) 3.514 2.968 ( 1.421 1.595 2.790) 3.514 3.100 ( 6.627 -5.227 -8.661) 12.093 3.100 ( 6.627 5.227 -8.661) 12.093 3.218 ( 4.259 -8.941 -2.107) 10.125 3.218 ( 4.259 8.941 -2.107) 10.125 3.424 ( 3.228 -3.816 1.403) 5.192 3.424 ( 3.228 3.816 1.403) 5.192 3.579 ( -0.684 -1.090 5.478) 5.627 3.579 ( -0.684 1.090 5.478) 5.627 3.748 ( -2.415 -6.606 -0.840) 7.083 3.748 ( -2.415 6.606 -0.840) 7.083 3.846 ( 0.314 -4.249 4.404) 6.128 3.846 ( 0.314 4.249 4.404) 6.128 4.006 ( -3.548 -8.165 3.981) 9.752 4.006 ( -3.548 8.165 3.981) 9.752 4.204 ( -6.563 -1.344 2.712) 7.227 4.204 ( -6.563 1.344 2.712) 7.227 4.447 ( 6.657 -4.285 1.427) 8.044 4.447 ( 6.657 4.285 1.427) 8.044 4.613 ( -2.367 -2.503 -1.217) 3.653 4.613 ( -2.367 2.503 -1.217) 3.653 4.721 ( 1.588 -4.776 1.550) 5.267 4.721 ( 1.588 4.776 1.550) 5.267 4.954 ( 1.208 -5.376 -1.666) 5.756 4.954 ( 1.208 5.376 -1.666) 5.756 5.106 ( 9.197 -1.573 0.238) 9.333 5.106 ( 9.197 1.573 0.238) 9.333 5.228 ( 1.015 -2.435 -1.054) 2.841 5.228 ( 1.015 2.435 -1.054) 2.841 5.440 ( 0.011 -3.181 0.166) 3.186 5.440 ( 0.011 3.181 0.166) 3.186 5.538 ( 2.687 -2.402 -3.190) 4.813 5.538 ( 2.687 2.402 -3.190) 4.813 5.676 ( -0.481 -3.097 -0.523) 3.178 5.676 ( -0.481 3.097 -0.523) 3.178 5.840 ( 0.394 -4.163 0.829) 4.263 5.840 ( 0.394 4.163 0.829) 4.263 5.984 ( 3.405 -6.664 1.112) 7.566 5.984 ( 3.405 6.664 1.112) 7.566 6.091 ( 1.201 -2.220 -1.925) 3.174 6.091 ( 1.201 2.220 -1.925) 3.174 6.240 ( 5.248 -5.814 -1.251) 7.931 6.240 ( 5.248 5.814 -1.251) 7.931 6.380 ( 3.712 -5.819 -1.405) 7.044 6.380 ( 3.712 5.819 -1.405) 7.044 6.526 ( 7.541 -0.648 -0.375) 7.578 6.526 ( 7.541 0.648 -0.375) 7.578 6.813 ( 3.267 -2.460 -1.845) 4.487 6.813 ( 3.267 2.460 -1.845) 4.487 7.171 ( 6.313 -5.226 8.200) 11.593 7.171 ( 6.313 5.226 8.200) 11.593 7.588 ( 3.255 -4.528 0.595) 5.608 7.588 ( 3.255 4.528 0.595) 5.608 7.683 ( 3.880 -4.274 -0.996) 5.858 7.683 ( 3.880 4.274 -0.996) 5.858 8.113 ( 3.767 -3.222 -2.556) 5.577 8.113 ( 3.767 3.222 -2.556) 5.577 8.277 ( 2.813 -1.268 7.014) 7.663 8.277 ( 2.813 1.268 7.014) 7.663 8.531 ( 3.916 -2.596 -5.540) 7.264 8.531 ( 3.916 2.596 -5.540) 7.264 8.739 ( 2.670 -0.836 -2.540) 3.778 8.739 ( 2.670 0.836 -2.540) 3.778 8.871 ( -1.417 -8.363 1.107) 8.554 8.871 ( -1.417 8.363 1.107) 8.554 9.070 ( 2.312 -0.363 1.381) 2.717 9.070 ( 2.312 0.363 1.381) 2.717 9.165 ( 3.720 -4.991 -0.195) 6.228 9.165 ( 3.720 4.991 -0.195) 6.228 9.364 ( 1.242 -0.861 -0.870) 1.744 9.364 ( 1.242 0.861 -0.870) 1.744 9.684 ( 4.955 -0.833 3.628) 6.197 9.684 ( 4.955 0.833 3.628) 6.197 9.873 ( -1.528 -1.245 -1.928) 2.757 9.873 ( -1.528 1.245 -1.928) 2.757 10.144 ( -3.450 -2.936 -1.114) 4.665 10.144 ( -3.450 2.936 -1.114) 4.665 10.258 ( -0.810 -3.255 1.106) 3.532 10.258 ( -0.810 3.255 1.106) 3.532 10.344 ( -3.246 -1.387 1.746) 3.939 10.344 ( -3.246 1.387 1.746) 3.939 10.461 ( -2.158 -2.608 4.027) 5.261 10.461 ( -2.158 2.608 4.027) 5.261 10.619 ( 0.074 -2.305 -2.351) 3.293 10.619 ( 0.074 2.305 -2.351) 3.293 10.720 ( 0.017 -3.248 1.938) 3.782 10.720 ( 0.017 3.248 1.938) 3.782 10.894 ( -1.439 -3.135 -0.431) 3.476 10.894 ( -1.439 3.135 -0.431) 3.476 11.010 ( -3.819 -3.710 -0.893) 5.399 11.010 ( -3.819 3.710 -0.893) 5.399 11.442 ( 1.322 -1.507 -1.904) 2.765 11.442 ( 1.322 1.507 -1.904) 2.765 11.670 ( -2.887 -5.751 -2.752) 6.999 11.670 ( -2.887 5.751 -2.752) 6.999 12.091 ( 4.512 -7.394 -4.573) 9.795 12.091 ( 4.512 7.394 -4.573) 9.795 12.684 ( -0.910 -13.725 9.817) 16.899 12.684 ( -0.910 13.725 9.817) 16.899 12.940 ( -5.348 -8.326 -10.775) 14.630 12.940 ( -5.348 8.326 -10.775) 14.630 13.541 ( -0.701 -6.029 7.363) 9.542 13.541 ( -0.701 6.029 7.363) 9.542 14.079 ( -4.332 -5.218 -0.270) 6.787 14.079 ( -4.332 5.218 -0.270) 6.787 14.366 ( -3.421 -2.556 5.411) 6.893 14.366 ( -3.421 2.556 5.411) 6.893 15.057 ( -15.787 -3.683 -5.018) 16.970 15.057 ( -15.787 3.683 -5.018) 16.970 ======================= Grid point 69 (37/84) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -0.418 -6.656 -0.084) 6.670 1.579 ( -0.418 6.656 -0.084) 6.670 1.768 ( -1.108 -5.304 -6.744) 8.650 1.768 ( -1.108 5.304 -6.744) 8.650 2.222 ( 17.066 -11.391 0.906) 20.538 2.222 ( 17.066 11.391 0.906) 20.538 2.453 ( -2.505 -6.301 -9.227) 11.450 2.453 ( -2.505 6.301 -9.227) 11.450 2.763 ( -7.065 -2.849 -2.256) 7.945 2.763 ( -7.065 2.849 -2.256) 7.945 2.953 ( -0.251 -1.874 -3.816) 4.258 2.953 ( -0.251 1.874 -3.816) 4.258 3.187 ( -1.158 -0.859 -7.749) 7.882 3.187 ( -1.158 0.859 -7.749) 7.882 3.280 ( 2.755 -2.638 -5.047) 6.326 3.280 ( 2.755 2.638 -5.047) 6.326 3.510 ( 0.567 -5.665 3.492) 6.679 3.510 ( 0.567 5.665 3.492) 6.679 3.623 ( 4.812 -3.711 8.354) 10.330 3.623 ( 4.812 3.711 8.354) 10.330 3.710 ( -1.635 -6.916 3.604) 7.968 3.710 ( -1.635 6.916 3.604) 7.968 3.833 ( -3.834 -6.155 5.432) 9.060 3.833 ( -3.834 6.155 5.432) 9.060 3.980 ( 1.875 -4.204 2.098) 5.059 3.980 ( 1.875 4.204 2.098) 5.059 4.102 ( 0.356 -3.993 2.611) 4.784 4.102 ( 0.356 3.993 2.611) 4.784 4.503 ( -0.707 -1.351 -3.067) 3.425 4.503 ( -0.707 1.351 -3.067) 3.425 4.601 ( -1.518 -5.961 4.234) 7.467 4.601 ( -1.518 5.961 4.234) 7.467 4.749 ( 2.898 -8.663 0.495) 9.148 4.749 ( 2.898 8.663 0.495) 9.148 4.934 ( -1.199 -9.543 -1.467) 9.730 4.934 ( -1.199 9.543 -1.467) 9.730 5.182 ( -2.783 -7.429 -1.022) 7.998 5.182 ( -2.783 7.429 -1.022) 7.998 5.311 ( 5.615 -1.028 -2.178) 6.110 5.311 ( 5.615 1.028 -2.178) 6.110 5.457 ( 1.776 -2.089 4.046) 4.887 5.457 ( 1.776 2.089 4.046) 4.887 5.560 ( 1.045 -0.131 -3.057) 3.234 5.560 ( 1.045 0.131 -3.057) 3.234 5.641 ( -1.162 -5.426 -0.461) 5.568 5.641 ( -1.162 5.426 -0.461) 5.568 5.909 ( 5.179 -3.065 -0.560) 6.044 5.909 ( 5.179 3.065 -0.560) 6.044 6.051 ( 1.810 -3.843 -1.290) 4.439 6.051 ( 1.810 3.843 -1.290) 4.439 6.155 ( 4.474 -2.311 -0.715) 5.086 6.155 ( 4.474 2.311 -0.715) 5.086 6.337 ( -0.198 -3.231 1.234) 3.464 6.337 ( -0.198 3.231 1.234) 3.464 6.363 ( 0.031 -3.385 -3.358) 4.768 6.363 ( 0.031 3.385 -3.358) 4.768 6.671 ( 5.358 -0.899 -0.906) 5.508 6.671 ( 5.358 0.899 -0.906) 5.508 6.945 ( 7.661 -2.079 -0.120) 7.939 6.945 ( 7.661 2.079 -0.120) 7.939 7.304 ( 5.485 -4.616 9.382) 11.807 7.304 ( 5.485 4.616 9.382) 11.807 7.695 ( 6.422 -4.766 0.208) 8.001 7.695 ( 6.422 4.766 0.208) 8.001 7.798 ( 8.048 -3.934 -0.431) 8.968 7.798 ( 8.048 3.934 -0.431) 8.968 8.180 ( 3.257 -1.836 -0.683) 3.801 8.180 ( 3.257 1.836 -0.683) 3.801 8.332 ( 1.913 -0.298 7.169) 7.426 8.332 ( 1.913 0.298 7.169) 7.426 8.592 ( 1.840 -4.400 -6.887) 8.377 8.592 ( 1.840 4.400 -6.887) 8.377 8.739 ( -1.763 -1.073 -1.401) 2.494 8.739 ( -1.763 1.073 -1.401) 2.494 8.918 ( 4.809 -6.625 0.936) 8.239 8.918 ( 4.809 6.625 0.936) 8.239 9.085 ( 0.750 -0.969 1.547) 1.974 9.085 ( 0.750 0.969 1.547) 1.974 9.321 ( 7.954 -2.512 -2.191) 8.624 9.321 ( 7.954 2.512 -2.191) 8.624 9.400 ( 2.911 -2.377 -2.328) 4.421 9.400 ( 2.911 2.377 -2.328) 4.421 9.750 ( -1.867 -4.461 0.441) 4.856 9.750 ( -1.867 4.461 0.441) 4.856 9.824 ( -0.235 -3.345 3.890) 5.136 9.824 ( -0.235 3.345 3.890) 5.136 10.053 ( -5.742 -1.470 -0.687) 5.967 10.053 ( -5.742 1.470 -0.687) 5.967 10.219 ( -2.094 -5.254 1.552) 5.865 10.219 ( -2.094 5.254 1.552) 5.865 10.291 ( -1.080 -3.132 2.296) 4.030 10.291 ( -1.080 3.132 2.296) 4.030 10.448 ( 0.103 -1.848 0.734) 1.991 10.448 ( 0.103 1.848 0.734) 1.991 10.604 ( -1.588 -5.137 -3.198) 6.256 10.604 ( -1.588 5.137 -3.198) 6.256 10.733 ( 1.450 -2.693 1.574) 3.440 10.733 ( 1.450 2.693 1.574) 3.440 10.854 ( -2.865 -1.799 -1.865) 3.863 10.854 ( -2.865 1.799 -1.865) 3.863 10.962 ( 0.532 -5.466 0.433) 5.508 10.962 ( 0.532 5.466 0.433) 5.508 11.442 ( -1.403 -6.629 -6.037) 9.075 11.442 ( -1.403 6.629 -6.037) 9.075 11.626 ( -1.115 -1.721 -0.740) 2.180 11.626 ( -1.115 1.721 -0.740) 2.180 12.078 ( -5.922 -8.446 -2.027) 10.512 12.078 ( -5.922 8.446 -2.027) 10.512 12.599 ( -6.304 -19.582 8.405) 22.222 12.599 ( -6.304 19.582 8.405) 22.222 12.853 ( -1.546 -3.684 -6.141) 7.326 12.853 ( -1.546 3.684 -6.141) 7.326 13.517 ( -4.024 -4.598 11.835) 13.319 13.517 ( -4.024 4.598 11.835) 13.319 13.996 ( -1.861 -7.259 -3.102) 8.111 13.996 ( -1.861 7.259 -3.102) 8.111 14.312 ( -1.866 -0.497 2.944) 3.521 14.312 ( -1.866 0.497 2.944) 3.521 14.835 ( -5.897 -4.521 -7.524) 10.574 14.835 ( -5.897 4.521 -7.524) 10.574 ======================= Grid point 71 (38/84) ======================= q-point: ( 0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -6.077 -4.846 -2.835) 8.273 1.431 ( -6.077 4.846 -2.835) 8.273 1.907 ( 6.851 -8.701 -11.537) 15.992 1.907 ( 6.851 8.701 -11.537) 15.992 2.348 ( -4.277 -3.807 -1.039) 5.820 2.348 ( -4.277 3.807 -1.039) 5.820 2.534 ( 5.609 -4.316 -8.161) 10.803 2.534 ( 5.609 4.316 -8.161) 10.803 2.692 ( 4.344 -3.666 -1.962) 6.013 2.692 ( 4.344 3.666 -1.962) 6.013 2.960 ( -0.114 -2.151 -0.704) 2.266 2.960 ( -0.114 2.151 -0.704) 2.266 3.144 ( -1.678 -4.439 -2.176) 5.220 3.144 ( -1.678 4.439 -2.176) 5.220 3.299 ( 1.413 -3.597 -3.496) 5.211 3.299 ( 1.413 3.597 -3.496) 5.211 3.494 ( -6.225 -6.572 8.698) 12.554 3.494 ( -6.225 6.572 8.698) 12.554 3.566 ( -1.919 -4.250 3.130) 5.616 3.566 ( -1.919 4.250 3.130) 5.616 3.703 ( -1.526 -9.458 3.991) 10.379 3.703 ( -1.526 9.458 3.991) 10.379 3.807 ( 1.432 -1.804 3.159) 3.909 3.807 ( 1.432 1.804 3.159) 3.909 4.031 ( 2.600 -2.034 -3.379) 4.724 4.031 ( 2.600 2.034 -3.379) 4.724 4.189 ( 3.658 -2.931 4.318) 6.373 4.189 ( 3.658 2.931 4.318) 6.373 4.462 ( -4.740 -4.689 -1.222) 6.779 4.462 ( -4.740 4.689 -1.222) 6.779 4.535 ( -0.686 -4.508 1.368) 4.760 4.535 ( -0.686 4.508 1.368) 4.760 4.823 ( 3.047 -5.796 0.222) 6.552 4.823 ( 3.047 5.796 0.222) 6.552 4.936 ( 0.589 -8.618 0.794) 8.675 4.936 ( 0.589 8.618 0.794) 8.675 5.127 ( -1.425 -10.073 -2.217) 10.412 5.127 ( -1.425 10.073 -2.217) 10.412 5.375 ( 2.688 -1.383 0.166) 3.028 5.375 ( 2.688 1.383 0.166) 3.028 5.508 ( 1.794 -1.355 4.261) 4.817 5.508 ( 1.794 1.355 4.261) 4.817 5.594 ( 1.522 -2.268 -1.496) 3.114 5.594 ( 1.522 2.268 -1.496) 3.114 5.618 ( -1.169 -4.791 -0.032) 4.931 5.618 ( -1.169 4.791 -0.032) 4.931 5.993 ( 1.988 -1.802 -1.459) 3.054 5.993 ( 1.988 1.802 -1.459) 3.054 6.065 ( 0.061 -0.346 -2.353) 2.379 6.065 ( 0.061 0.346 -2.353) 2.379 6.211 ( -3.235 -0.811 1.651) 3.722 6.211 ( -3.235 0.811 1.651) 3.722 6.248 ( 0.395 -3.283 -3.759) 5.006 6.248 ( 0.395 3.283 -3.759) 5.006 6.436 ( 2.778 -2.141 0.461) 3.538 6.436 ( 2.778 2.141 0.461) 3.538 6.734 ( 1.233 -1.912 -1.195) 2.570 6.734 ( 1.233 1.912 -1.195) 2.570 7.060 ( 2.767 -0.971 -0.747) 3.026 7.060 ( 2.767 0.971 -0.747) 3.026 7.368 ( 0.598 -4.233 10.154) 11.017 7.368 ( 0.598 4.233 10.154) 11.017 7.788 ( 2.471 -4.008 -1.421) 4.918 7.788 ( 2.471 4.008 -1.421) 4.918 7.989 ( 6.932 -4.315 -1.469) 8.297 7.989 ( 6.932 4.315 -1.469) 8.297 8.234 ( 0.135 -2.490 3.792) 4.539 8.234 ( 0.135 2.490 3.792) 4.539 8.369 ( 3.145 -1.794 5.017) 6.186 8.369 ( 3.145 1.794 5.017) 6.186 8.596 ( -1.064 -3.502 -7.168) 8.048 8.596 ( -1.064 3.502 -7.168) 8.048 8.726 ( 0.656 -0.516 2.258) 2.408 8.726 ( 0.656 0.516 2.258) 2.408 9.008 ( 3.521 -3.887 -1.776) 5.537 9.008 ( 3.521 3.887 -1.776) 5.537 9.106 ( 0.998 -1.447 0.999) 2.022 9.106 ( 0.998 1.447 0.999) 2.022 9.380 ( -0.829 -3.863 1.341) 4.172 9.380 ( -0.829 3.863 1.341) 4.172 9.514 ( 5.541 -3.903 -5.530) 8.747 9.514 ( 5.541 3.903 -5.530) 8.747 9.661 ( -2.428 -2.892 -1.315) 3.998 9.661 ( -2.428 2.892 -1.315) 3.998 9.847 ( -0.538 -2.980 3.256) 4.446 9.847 ( -0.538 2.980 3.256) 4.446 9.912 ( -6.633 -1.563 3.919) 7.861 9.912 ( -6.633 1.563 3.919) 7.861 10.198 ( -0.708 -5.398 0.899) 5.518 10.198 ( -0.708 5.398 0.899) 5.518 10.286 ( 0.014 -2.584 0.185) 2.591 10.286 ( 0.014 2.584 0.185) 2.591 10.460 ( 1.438 -0.557 -1.289) 2.010 10.460 ( 1.438 0.557 -1.289) 2.010 10.567 ( -1.414 -4.801 -3.247) 5.966 10.567 ( -1.414 4.801 -3.247) 5.966 10.762 ( -0.083 -2.081 2.119) 2.971 10.762 ( -0.083 2.081 2.119) 2.971 10.808 ( 0.205 -2.517 -0.964) 2.703 10.808 ( 0.205 2.517 -0.964) 2.703 11.035 ( 5.331 -6.896 0.854) 8.758 11.035 ( 5.331 6.896 0.854) 8.758 11.397 ( -2.089 -8.978 -7.601) 11.947 11.397 ( -2.089 8.978 -7.601) 11.947 11.604 ( -2.027 -4.156 -1.534) 4.871 11.604 ( -2.027 4.156 -1.534) 4.871 11.927 ( -5.435 -2.798 0.932) 6.184 11.927 ( -5.435 2.798 0.932) 6.184 12.477 ( -4.691 -11.954 4.817) 13.716 12.477 ( -4.691 11.954 4.817) 13.716 12.873 ( 2.527 -8.304 -1.556) 8.819 12.873 ( 2.527 8.304 -1.556) 8.819 13.381 ( -7.561 -3.856 8.486) 12.001 13.381 ( -7.561 3.856 8.486) 12.001 14.017 ( 2.751 -6.581 -1.254) 7.242 14.017 ( 2.751 6.581 -1.254) 7.242 14.291 ( -0.264 -0.354 2.309) 2.351 14.291 ( -0.264 0.354 2.309) 2.351 14.779 ( -0.208 -4.876 -7.660) 9.083 14.779 ( -0.208 4.876 -7.660) 9.083 ======================= Grid point 73 (39/84) ======================= q-point: (-0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 4.797 -1.870 -4.193) 6.640 1.418 ( 4.797 1.870 -4.193) 6.640 1.921 ( -5.177 -8.733 -10.825) 14.841 1.921 ( -5.177 8.733 -10.825) 14.841 2.227 ( -6.633 -3.123 -3.716) 8.220 2.227 ( -6.633 3.123 -3.716) 8.220 2.622 ( 2.529 -2.864 -1.368) 4.058 2.622 ( 2.529 2.864 -1.368) 4.058 2.754 ( -1.492 -1.501 -7.497) 7.790 2.754 ( -1.492 1.501 -7.497) 7.790 2.973 ( 6.485 -4.152 0.808) 7.742 2.973 ( 6.485 4.152 0.808) 7.742 3.177 ( 2.534 -4.365 -0.051) 5.047 3.177 ( 2.534 4.365 -0.051) 5.047 3.285 ( -6.438 -4.581 2.783) 8.377 3.285 ( -6.438 4.581 2.783) 8.377 3.420 ( 4.741 -5.594 1.968) 7.592 3.420 ( 4.741 5.594 1.968) 7.592 3.584 ( 1.990 -5.872 2.057) 6.532 3.584 ( 1.990 5.872 2.057) 6.532 3.690 ( -0.258 -0.255 0.680) 0.771 3.690 ( -0.258 0.255 0.680) 0.771 3.821 ( -0.467 -2.453 1.831) 3.096 3.821 ( -0.467 2.453 1.831) 3.096 4.029 ( -2.819 -2.664 1.847) 4.296 4.029 ( -2.819 2.664 1.847) 4.296 4.171 ( -4.561 -5.863 4.765) 8.825 4.171 ( -4.561 5.863 4.765) 8.825 4.419 ( 1.010 -7.039 -3.050) 7.737 4.419 ( 1.010 7.039 -3.050) 7.737 4.561 ( 3.024 -3.438 -0.062) 4.579 4.561 ( 3.024 3.438 -0.062) 4.579 4.861 ( -0.266 -5.957 2.589) 6.500 4.861 ( -0.266 5.957 2.589) 6.500 4.943 ( 0.948 -4.779 2.390) 5.426 4.943 ( 0.948 4.779 2.390) 5.426 5.111 ( 0.053 -6.674 -3.259) 7.427 5.111 ( 0.053 6.674 -3.259) 7.427 5.418 ( -0.500 -1.809 0.576) 1.963 5.418 ( -0.500 1.809 0.576) 1.963 5.495 ( -2.722 -1.681 2.485) 4.051 5.495 ( -2.722 1.681 2.485) 4.051 5.589 ( -0.773 -3.299 -2.008) 3.938 5.589 ( -0.773 3.299 -2.008) 3.938 5.659 ( 4.374 -2.169 3.045) 5.754 5.659 ( 4.374 2.169 3.045) 5.754 5.973 ( -3.645 -2.277 -2.245) 4.849 5.973 ( -3.645 2.277 -2.245) 4.849 6.050 ( -1.923 -0.600 -2.167) 2.959 6.050 ( -1.923 0.600 -2.167) 2.959 6.155 ( -0.361 -0.838 -2.243) 2.421 6.155 ( -0.361 0.838 -2.243) 2.421 6.267 ( 0.224 -1.749 -1.292) 2.186 6.267 ( 0.224 1.749 -1.292) 2.186 6.452 ( -1.175 -0.363 0.274) 1.260 6.452 ( -1.175 0.363 0.274) 1.260 6.737 ( -0.903 -2.969 -0.161) 3.107 6.737 ( -0.903 2.969 -0.161) 3.107 7.047 ( -4.004 -0.546 -1.439) 4.290 7.047 ( -4.004 0.546 -1.439) 4.290 7.341 ( -3.371 -3.751 9.040) 10.351 7.341 ( -3.371 3.751 9.040) 10.351 7.809 ( -0.277 -3.874 -1.215) 4.070 7.809 ( -0.277 3.874 -1.215) 4.070 7.976 ( -7.115 -4.927 -1.180) 8.734 7.976 ( -7.115 4.927 -1.180) 8.734 8.174 ( -4.706 -2.334 2.334) 5.748 8.174 ( -4.706 2.334 2.334) 5.748 8.428 ( -0.421 -2.277 6.408) 6.813 8.428 ( -0.421 2.277 6.408) 6.813 8.572 ( -1.044 -2.646 -6.966) 7.524 8.572 ( -1.044 2.646 -6.966) 7.524 8.750 ( 1.802 -0.770 2.733) 3.363 8.750 ( 1.802 0.770 2.733) 3.363 9.048 ( -0.769 -1.770 -1.433) 2.403 9.048 ( -0.769 1.770 -1.433) 2.403 9.124 ( 0.956 -0.795 1.346) 1.832 9.124 ( 0.956 0.795 1.346) 1.832 9.353 ( 0.279 -5.026 0.224) 5.039 9.353 ( 0.279 5.026 0.224) 5.039 9.550 ( -2.359 -1.746 -4.268) 5.180 9.550 ( -2.359 1.746 -4.268) 5.180 9.684 ( -0.962 -3.994 -1.184) 4.276 9.684 ( -0.962 3.994 -1.184) 4.276 9.806 ( 1.709 -2.661 2.389) 3.963 9.806 ( 1.709 2.661 2.389) 3.963 9.843 ( 0.777 -2.558 1.735) 3.187 9.843 ( 0.777 2.558 1.735) 3.187 10.178 ( -1.626 -5.848 0.730) 6.114 10.178 ( -1.626 5.848 0.730) 6.114 10.279 ( -0.370 -2.093 0.048) 2.126 10.279 ( -0.370 2.093 0.048) 2.126 10.480 ( -0.341 -1.102 -0.119) 1.160 10.480 ( -0.341 1.102 -0.119) 1.160 10.578 ( 2.594 -4.891 -1.711) 5.795 10.578 ( 2.594 4.891 -1.711) 5.795 10.744 ( -0.428 -1.814 1.825) 2.608 10.744 ( -0.428 1.814 1.825) 2.608 10.845 ( 2.059 -6.215 -2.020) 6.852 10.845 ( 2.059 6.215 -2.020) 6.852 11.091 ( -1.257 -1.814 2.761) 3.535 11.091 ( -1.257 1.814 2.761) 3.535 11.406 ( 2.602 -4.858 -9.157) 10.688 11.406 ( 2.602 4.858 -9.157) 10.688 11.544 ( -1.215 -9.627 -1.007) 9.755 11.544 ( -1.215 9.627 -1.007) 9.755 11.942 ( 6.228 -10.097 1.178) 11.922 11.942 ( 6.228 10.097 1.178) 11.922 12.433 ( 0.735 -5.079 2.571) 5.740 12.433 ( 0.735 5.079 2.571) 5.740 12.895 ( -2.407 -10.606 0.852) 10.909 12.895 ( -2.407 10.606 0.852) 10.909 13.295 ( 0.997 -1.721 4.009) 4.475 13.295 ( 0.997 1.721 4.009) 4.475 14.073 ( 2.517 -5.308 1.529) 6.070 14.073 ( 2.517 5.308 1.529) 6.070 14.301 ( 1.026 -0.352 2.622) 2.837 14.301 ( 1.026 0.352 2.622) 2.837 14.806 ( 2.979 -5.799 -6.956) 9.534 14.806 ( 2.979 5.799 -6.956) 9.534 ======================= Grid point 75 (40/84) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 6.588 -0.587 -7.511) 10.008 1.569 ( 6.588 0.587 -7.511) 10.008 1.757 ( -8.286 -2.452 2.467) 8.986 1.757 ( -8.286 2.452 2.467) 8.986 2.060 ( -9.451 -9.288 -6.761) 14.876 2.060 ( -9.451 9.288 -6.761) 14.876 2.600 ( 1.066 -5.068 -4.520) 6.875 2.600 ( 1.066 5.068 -4.520) 6.875 2.791 ( 2.615 -5.391 -4.172) 7.301 2.791 ( 2.615 5.391 -4.172) 7.301 3.042 ( -3.555 -5.872 3.683) 7.790 3.042 ( -3.555 5.872 3.683) 7.790 3.185 ( -1.137 -0.963 -5.141) 5.353 3.185 ( -1.137 0.963 -5.141) 5.353 3.311 ( 9.230 -1.223 -5.133) 10.632 3.311 ( 9.230 1.223 -5.133) 10.632 3.485 ( -0.062 -8.166 0.991) 8.226 3.485 ( -0.062 8.166 0.991) 8.226 3.593 ( -1.805 -6.037 -0.079) 6.302 3.593 ( -1.805 6.037 -0.079) 6.302 3.684 ( -3.956 -3.278 3.806) 6.394 3.684 ( -3.956 3.278 3.806) 6.394 3.761 ( -1.305 -4.425 4.114) 6.181 3.761 ( -1.305 4.425 4.114) 6.181 3.981 ( -2.421 -1.694 4.906) 5.727 3.981 ( -2.421 1.694 4.906) 5.727 4.116 ( 1.641 -4.063 4.086) 5.991 4.116 ( 1.641 4.063 4.086) 5.991 4.432 ( -0.057 -5.569 -2.850) 6.256 4.432 ( -0.057 5.569 -2.850) 6.256 4.650 ( 3.804 -5.484 1.052) 6.756 4.650 ( 3.804 5.484 1.052) 6.756 4.824 ( -1.091 -5.326 5.190) 7.516 4.824 ( -1.091 5.326 5.190) 7.516 4.985 ( 2.424 -4.115 1.365) 4.967 4.985 ( 2.424 4.115 1.365) 4.967 5.133 ( 1.180 -3.560 -2.785) 4.672 5.133 ( 1.180 3.560 -2.785) 4.672 5.348 ( -5.700 -1.848 -2.707) 6.576 5.348 ( -5.700 1.848 -2.707) 6.576 5.440 ( -0.931 -0.545 2.054) 2.320 5.440 ( -0.931 0.545 2.054) 2.320 5.567 ( -1.850 -1.917 -2.085) 3.383 5.567 ( -1.850 1.917 -2.085) 3.383 5.732 ( 1.058 -1.283 1.833) 2.475 5.732 ( 1.058 1.283 1.833) 2.475 5.848 ( -7.704 -3.794 -0.343) 8.594 5.848 ( -7.704 3.794 -0.343) 8.594 5.992 ( -3.025 -3.087 -2.823) 5.163 5.992 ( -3.025 3.087 -2.823) 5.163 6.170 ( 0.001 -2.927 -1.150) 3.145 6.170 ( 0.001 2.927 -1.150) 3.145 6.273 ( 0.847 -6.511 -2.813) 7.143 6.273 ( 0.847 6.511 -2.813) 7.143 6.404 ( -3.016 -1.857 -0.895) 3.653 6.404 ( -3.016 1.857 -0.895) 3.653 6.679 ( -5.344 -3.154 1.009) 6.287 6.679 ( -5.344 3.154 1.009) 6.287 6.913 ( -8.065 -0.599 -1.694) 8.263 6.913 ( -8.065 0.599 -1.694) 8.263 7.239 ( -6.111 -2.440 7.452) 9.942 7.239 ( -6.111 2.440 7.452) 9.942 7.732 ( -7.171 -5.381 0.208) 8.968 7.732 ( -7.171 5.381 0.208) 8.968 7.864 ( -1.272 -4.072 2.191) 4.796 7.864 ( -1.272 4.072 2.191) 4.796 8.061 ( -5.895 -2.851 -1.040) 6.630 8.061 ( -5.895 2.851 -1.040) 6.630 8.342 ( -6.636 -4.618 2.679) 8.517 8.342 ( -6.636 4.618 2.679) 8.517 8.535 ( -2.448 -1.291 -5.255) 5.939 8.535 ( -2.448 1.291 -5.255) 5.939 8.812 ( 3.884 -3.131 2.707) 5.676 8.812 ( 3.884 3.131 2.707) 5.676 8.987 ( -3.664 -2.132 0.015) 4.239 8.987 ( -3.664 2.132 0.015) 4.239 9.128 ( -0.685 -1.772 1.119) 2.205 9.128 ( -0.685 1.772 1.119) 2.205 9.359 ( -6.420 -6.148 -2.146) 9.144 9.359 ( -6.420 6.148 -2.146) 9.144 9.432 ( -3.538 -3.844 1.584) 5.459 9.432 ( -3.538 3.844 1.584) 5.459 9.610 ( -2.522 -5.581 -1.754) 6.370 9.610 ( -2.522 5.581 -1.754) 6.370 9.891 ( 5.115 -2.297 2.791) 6.263 9.891 ( 5.115 2.297 2.791) 6.263 9.972 ( 6.244 -2.328 -2.031) 6.966 9.972 ( 6.244 2.328 -2.031) 6.966 10.141 ( 0.325 -6.749 -1.485) 6.918 10.141 ( 0.325 6.749 -1.485) 6.918 10.284 ( 0.964 -1.854 1.769) 2.738 10.284 ( 0.964 1.854 1.769) 2.738 10.464 ( -0.650 -1.554 2.102) 2.694 10.464 ( -0.650 1.554 2.102) 2.694 10.607 ( -0.449 -2.119 -0.729) 2.285 10.607 ( -0.449 2.119 -0.729) 2.285 10.784 ( 3.783 -4.508 3.025) 6.617 10.784 ( 3.783 4.508 3.025) 6.617 10.865 ( -0.302 -3.142 -2.106) 3.794 10.865 ( -0.302 3.142 -2.106) 3.794 11.056 ( -0.173 -3.795 1.169) 3.975 11.056 ( -0.173 3.795 1.169) 3.975 11.375 ( -3.981 -7.666 -9.315) 12.704 11.375 ( -3.981 7.666 -9.315) 12.704 11.640 ( 7.566 -6.505 0.577) 9.995 11.640 ( 7.566 6.505 0.577) 9.995 12.115 ( 8.877 -14.702 0.318) 17.178 12.115 ( 8.877 14.702 0.318) 17.178 12.498 ( 3.663 -7.115 1.901) 8.226 12.498 ( 3.663 7.115 1.901) 8.226 12.766 ( -7.414 -4.747 -3.974) 9.659 12.766 ( -7.414 4.747 -3.974) 9.659 13.416 ( 8.667 -12.149 4.767) 15.667 13.416 ( 8.667 12.149 4.767) 15.667 14.121 ( 2.070 -4.013 2.949) 5.393 14.121 ( 2.070 4.013 2.949) 5.393 14.328 ( 1.580 -0.209 3.186) 3.562 14.328 ( 1.580 0.209 3.186) 3.562 14.914 ( 8.307 -6.016 -5.185) 11.492 14.914 ( 8.307 6.016 -5.185) 11.492 ======================= Grid point 77 (41/84) ======================= q-point: (-0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -9.262 -19.434 -5.891) 22.319 1.501 ( -9.262 19.434 -5.891) 22.319 1.598 ( -11.372 -5.736 6.289) 14.205 1.598 ( -11.372 5.736 6.289) 14.205 2.031 ( 8.359 -1.714 -1.289) 8.630 2.031 ( 8.359 1.714 -1.289) 8.630 2.676 ( 2.489 -4.365 -6.596) 8.292 2.676 ( 2.489 4.365 -6.596) 8.292 2.823 ( 0.285 -0.991 -11.196) 11.243 2.823 ( 0.285 0.991 -11.196) 11.243 2.918 ( -6.609 -10.573 3.037) 12.833 2.918 ( -6.609 10.573 3.037) 12.833 3.168 ( 0.021 -9.643 0.417) 9.652 3.168 ( 0.021 9.643 0.417) 9.652 3.383 ( -6.969 -4.579 -2.117) 8.603 3.383 ( -6.969 4.579 -2.117) 8.603 3.406 ( -4.183 -6.994 -4.253) 9.193 3.406 ( -4.183 6.994 -4.253) 9.193 3.481 ( -2.505 -4.880 4.764) 7.266 3.481 ( -2.505 4.880 4.764) 7.266 3.709 ( 7.145 -6.005 0.007) 9.333 3.709 ( 7.145 6.005 0.007) 9.333 3.828 ( 3.393 -1.574 4.526) 5.872 3.828 ( 3.393 1.574 4.526) 5.872 3.914 ( -2.116 -0.789 1.950) 2.984 3.914 ( -2.116 0.789 1.950) 2.984 4.212 ( 5.181 -2.364 2.277) 6.133 4.212 ( 5.181 2.364 2.277) 6.133 4.414 ( -1.380 -6.289 -2.047) 6.756 4.414 ( -1.380 6.289 -2.047) 6.756 4.662 ( -1.462 -4.318 0.810) 4.630 4.662 ( -1.462 4.318 0.810) 4.630 4.841 ( -0.155 -2.313 7.371) 7.727 4.841 ( -0.155 2.313 7.371) 7.727 4.984 ( -4.394 -3.907 1.148) 5.991 4.984 ( -4.394 3.907 1.148) 5.991 5.119 ( -3.089 -4.939 0.587) 5.855 5.119 ( -3.089 4.939 0.587) 5.855 5.265 ( 0.895 -0.894 -2.163) 2.506 5.265 ( 0.895 0.894 -2.163) 2.506 5.487 ( 2.885 -3.646 -2.981) 5.523 5.487 ( 2.885 3.646 -2.981) 5.523 5.508 ( -2.482 -1.758 -2.719) 4.079 5.508 ( -2.482 1.758 -2.719) 4.079 5.612 ( -8.596 -3.603 -4.249) 10.244 5.612 ( -8.596 3.603 -4.249) 10.244 5.786 ( -0.587 -3.344 4.860) 5.928 5.786 ( -0.587 3.344 4.860) 5.928 5.935 ( -2.286 -3.101 -1.445) 4.114 5.935 ( -2.286 3.101 -1.445) 4.114 6.136 ( -2.795 -1.201 -0.164) 3.046 6.136 ( -2.795 1.201 -0.164) 3.046 6.251 ( -3.670 -6.014 -2.547) 7.492 6.251 ( -3.670 6.014 -2.547) 7.492 6.322 ( -5.673 -3.987 -1.458) 7.086 6.322 ( -5.673 3.987 -1.458) 7.086 6.545 ( -6.121 -1.789 -0.462) 6.394 6.545 ( -6.121 1.789 -0.462) 6.394 6.769 ( -4.657 -0.562 -2.839) 5.483 6.769 ( -4.657 0.562 -2.839) 5.483 7.135 ( -3.505 -1.791 7.336) 8.325 7.135 ( -3.505 1.791 7.336) 8.325 7.615 ( -4.068 -4.196 1.421) 6.014 7.615 ( -4.068 4.196 1.421) 6.014 7.855 ( -0.461 -5.138 3.563) 6.270 7.855 ( -0.461 5.138 3.563) 6.270 7.957 ( -3.961 -3.221 -2.981) 5.912 7.957 ( -3.961 3.221 -2.981) 5.912 8.217 ( -4.408 -3.991 -0.686) 5.986 8.217 ( -4.408 3.991 -0.686) 5.986 8.483 ( -2.363 -3.343 -2.476) 4.784 8.483 ( -2.363 3.343 -2.476) 4.784 8.880 ( 1.447 -7.016 1.487) 7.316 8.880 ( 1.447 7.016 1.487) 7.316 8.923 ( -1.981 -2.999 -1.640) 3.951 8.923 ( -1.981 2.999 -1.640) 3.951 9.075 ( -5.205 -1.910 1.156) 5.663 9.075 ( -5.205 1.910 1.156) 5.663 9.200 ( -2.918 -2.675 3.007) 4.971 9.200 ( -2.918 2.675 3.007) 4.971 9.387 ( -3.877 -5.817 -0.003) 6.991 9.387 ( -3.877 5.817 -0.003) 6.991 9.571 ( -1.267 -2.496 -0.848) 2.925 9.571 ( -1.267 2.496 -0.848) 2.925 9.949 ( -0.961 -2.483 0.531) 2.714 9.949 ( -0.961 2.483 0.531) 2.714 10.040 ( 4.430 -1.932 -1.548) 5.075 10.040 ( 4.430 1.932 -1.548) 5.075 10.234 ( 4.836 -4.638 -2.493) 7.149 10.234 ( 4.836 4.638 -2.493) 7.149 10.313 ( 1.378 -0.635 2.770) 3.158 10.313 ( 1.378 0.635 2.770) 3.158 10.481 ( 2.722 -0.639 4.444) 5.251 10.481 ( 2.722 0.639 4.444) 5.251 10.581 ( -1.438 -2.671 -1.053) 3.211 10.581 ( -1.438 2.671 -1.053) 3.211 10.788 ( -3.007 -0.684 -0.985) 3.237 10.788 ( -3.007 0.684 -0.985) 3.237 10.897 ( 2.978 -6.687 5.021) 8.877 10.897 ( 2.978 6.687 5.021) 8.877 11.101 ( 3.671 -5.024 -0.234) 6.227 11.101 ( 3.671 5.024 -0.234) 6.227 11.291 ( -3.327 -7.558 -8.634) 11.947 11.291 ( -3.327 7.558 -8.634) 11.947 11.780 ( 5.562 -1.273 0.530) 5.730 11.780 ( 5.562 1.273 0.530) 5.730 12.231 ( -0.053 -11.135 -3.564) 11.692 12.231 ( -0.053 11.135 -3.564) 11.692 12.411 ( -9.155 -7.273 6.225) 13.246 12.411 ( -9.155 7.273 6.225) 13.246 12.790 ( 8.380 -3.592 -12.427) 15.413 12.790 ( 8.380 3.592 -12.427) 15.413 13.584 ( 6.720 -18.419 5.997) 20.503 13.584 ( 6.720 18.419 5.997) 20.503 14.153 ( 0.798 -2.830 2.289) 3.727 14.153 ( 0.798 2.830 2.289) 3.727 14.373 ( 2.849 -1.912 5.107) 6.153 14.373 ( 2.849 1.912 5.107) 6.153 15.160 ( 15.509 -4.246 -2.251) 16.237 15.160 ( 15.509 4.246 -2.251) 16.237 ======================= Grid point 79 (42/84) ======================= q-point: (-0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -11.186 -23.658 -4.362) 26.530 1.262 ( -11.186 23.658 -4.362) 26.530 1.442 ( -3.791 -20.556 11.808) 24.007 1.442 ( -3.791 20.556 11.808) 24.007 2.234 ( 9.335 -5.335 -2.976) 11.156 2.234 ( 9.335 5.335 -2.976) 11.156 2.513 ( -13.030 -26.277 4.889) 29.735 2.513 ( -13.030 26.277 4.889) 29.735 2.783 ( -2.869 -0.668 -2.880) 4.119 2.783 ( -2.869 0.668 -2.880) 4.119 2.935 ( 4.105 -2.936 -14.094) 14.971 2.935 ( 4.105 2.936 -14.094) 14.971 3.145 ( -5.632 -8.058 4.497) 10.811 3.145 ( -5.632 8.058 4.497) 10.811 3.239 ( -1.410 -7.121 -8.726) 11.351 3.239 ( -1.410 7.121 -8.726) 11.351 3.369 ( 0.767 -7.587 2.449) 8.010 3.369 ( 0.767 7.587 2.449) 8.010 3.526 ( 4.128 -6.145 0.071) 7.403 3.526 ( 4.128 6.145 0.071) 7.403 3.788 ( -2.800 -0.940 0.355) 2.975 3.788 ( -2.800 0.940 0.355) 2.975 3.867 ( 6.495 -6.358 0.821) 9.126 3.867 ( 6.495 6.358 0.821) 9.126 3.953 ( 2.950 -2.233 3.161) 4.866 3.953 ( 2.950 2.233 3.161) 4.866 4.255 ( -1.925 -5.337 -2.131) 6.060 4.255 ( -1.925 5.337 -2.131) 6.060 4.410 ( 1.720 -4.757 0.879) 5.134 4.410 ( 1.720 4.757 0.879) 5.134 4.611 ( -3.789 -4.915 -2.242) 6.598 4.611 ( -3.789 4.915 -2.242) 6.598 4.785 ( -4.534 -0.414 4.774) 6.596 4.785 ( -4.534 0.414 4.774) 6.596 4.860 ( -3.804 -2.362 2.041) 4.921 4.860 ( -3.804 2.362 2.041) 4.921 5.073 ( -3.264 -3.313 4.598) 6.540 5.073 ( -3.264 3.313 4.598) 6.540 5.271 ( -1.442 -1.341 -2.856) 3.469 5.271 ( -1.442 1.341 -2.856) 3.469 5.376 ( -5.912 -2.187 -5.207) 8.176 5.376 ( -5.912 2.187 -5.207) 8.176 5.519 ( -0.811 -3.270 -2.160) 4.002 5.519 ( -0.811 3.270 -2.160) 4.002 5.581 ( 2.084 -2.646 -0.423) 3.395 5.581 ( 2.084 2.646 -0.423) 3.395 5.764 ( -1.159 -5.313 0.830) 5.501 5.764 ( -1.159 5.313 0.830) 5.501 5.905 ( -0.912 -0.474 2.429) 2.637 5.905 ( -0.912 0.474 2.429) 2.637 6.066 ( -2.644 -5.871 -2.141) 6.785 6.066 ( -2.644 5.871 -2.141) 6.785 6.167 ( -3.236 -2.182 -0.257) 3.911 6.167 ( -3.236 2.182 -0.257) 3.911 6.229 ( -2.544 -2.962 0.734) 3.973 6.229 ( -2.544 2.962 0.734) 3.973 6.434 ( -4.590 -0.091 -0.786) 4.658 6.434 ( -4.590 0.091 -0.786) 4.658 6.741 ( 1.763 -2.676 -7.547) 8.199 6.741 ( 1.763 2.676 -7.547) 8.199 7.092 ( -1.490 -2.287 7.038) 7.549 7.092 ( -1.490 2.287 7.038) 7.549 7.549 ( -2.535 -1.992 0.977) 3.369 7.549 ( -2.535 1.992 0.977) 3.369 7.826 ( -3.797 -3.506 2.859) 5.906 7.826 ( -3.797 3.506 2.859) 5.906 7.909 ( 0.556 -2.718 -0.791) 2.885 7.909 ( 0.556 2.718 -0.791) 2.885 8.170 ( -0.834 -4.510 -3.920) 6.034 8.170 ( -0.834 4.510 -3.920) 6.034 8.439 ( -1.857 -3.658 -0.824) 4.185 8.439 ( -1.857 3.658 -0.824) 4.185 8.855 ( -1.992 -5.843 -4.351) 7.552 8.855 ( -1.992 5.843 -4.351) 7.552 8.913 ( -0.444 -1.947 4.362) 4.797 8.913 ( -0.444 1.947 4.362) 4.797 9.027 ( 1.220 -3.711 3.118) 4.998 9.027 ( 1.220 3.711 3.118) 4.998 9.191 ( 0.003 -0.343 3.064) 3.083 9.191 ( 0.003 0.343 3.064) 3.083 9.285 ( -4.485 -3.727 -2.137) 6.211 9.285 ( -4.485 3.727 -2.137) 6.211 9.566 ( 0.652 -1.565 0.202) 1.707 9.566 ( 0.652 1.565 0.202) 1.707 9.929 ( -0.884 -0.816 -0.345) 1.251 9.929 ( -0.884 0.816 -0.345) 1.251 10.110 ( 1.991 -0.501 -0.784) 2.198 10.110 ( 1.991 0.501 -0.784) 2.198 10.269 ( -0.672 -2.063 -1.258) 2.508 10.269 ( -0.672 2.063 -1.258) 2.508 10.343 ( 1.614 -2.534 2.878) 4.160 10.343 ( 1.614 2.534 2.878) 4.160 10.534 ( 1.307 -4.007 1.240) 4.393 10.534 ( 1.307 4.007 1.240) 4.393 10.594 ( 2.972 -3.143 1.911) 4.729 10.594 ( 2.972 3.143 1.911) 4.729 10.727 ( -2.419 -1.212 0.927) 2.860 10.727 ( -2.419 1.212 0.927) 2.860 10.936 ( 0.684 -2.889 4.834) 5.673 10.936 ( 0.684 2.889 4.834) 5.673 11.150 ( 0.164 -7.576 -1.293) 7.688 11.150 ( 0.164 7.576 -1.293) 7.688 11.270 ( 1.877 -3.165 -5.822) 6.887 11.270 ( 1.877 3.165 -5.822) 6.887 11.850 ( 0.970 -4.402 0.883) 4.593 11.850 ( 0.970 4.402 0.883) 4.593 12.053 ( -12.114 -5.684 -2.757) 13.663 12.053 ( -12.114 5.684 -2.757) 13.663 12.345 ( 0.695 -4.368 -1.055) 4.547 12.345 ( 0.695 4.368 -1.055) 4.547 12.960 ( 7.178 -4.537 -12.795) 15.357 12.960 ( 7.178 4.537 -12.795) 15.357 13.678 ( 2.187 -18.240 6.382) 19.448 13.678 ( 2.187 18.240 6.382) 19.448 14.156 ( -0.223 -2.106 0.976) 2.332 14.156 ( -0.223 2.106 0.976) 2.332 14.439 ( 2.915 -3.607 7.806) 9.080 14.439 ( 2.915 3.607 7.806) 9.080 15.498 ( 15.203 -6.549 -1.323) 16.607 15.498 ( 15.203 6.549 -1.323) 16.607 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 1.599 0.000 25.836) 25.885 1.227 ( 10.155 0.000 28.278) 30.046 1.367 ( -15.625 0.000 19.598) 25.064 1.918 ( 2.134 0.000 -13.301) 13.471 2.198 ( -2.629 0.000 -17.363) 17.561 2.232 ( 13.374 0.000 1.095) 13.419 2.392 ( -0.878 0.000 8.010) 8.058 2.463 ( 6.230 0.000 -16.316) 17.465 2.546 ( -6.346 0.000 -4.666) 7.877 2.586 ( -7.266 0.000 -2.251) 7.606 2.679 ( 0.438 0.000 5.398) 5.416 2.807 ( -4.163 0.000 13.561) 14.185 2.957 ( 1.487 0.000 -8.779) 8.904 3.030 ( 1.280 0.000 -11.708) 11.777 3.153 ( -1.768 0.000 -13.876) 13.988 3.324 ( 5.575 0.000 0.782) 5.630 3.371 ( -4.333 0.000 -2.323) 4.917 3.476 ( 3.602 0.000 0.056) 3.602 3.511 ( -2.542 0.000 0.124) 2.545 3.640 ( 4.360 0.000 2.922) 5.249 3.677 ( -5.402 0.000 -6.346) 8.334 3.695 ( -4.815 0.000 -4.731) 6.750 3.833 ( 1.832 0.000 1.921) 2.654 3.978 ( -1.825 0.000 2.227) 2.880 4.104 ( -2.465 0.000 4.802) 5.398 4.202 ( 8.313 0.000 0.346) 8.320 4.305 ( 0.332 0.000 -3.375) 3.391 4.343 ( -1.179 0.000 -4.779) 4.922 4.401 ( 4.296 0.000 2.024) 4.749 4.473 ( -0.698 0.000 2.617) 2.709 4.563 ( -4.736 0.000 1.059) 4.853 4.650 ( -2.592 0.000 -1.137) 2.830 4.724 ( -3.603 0.000 -0.807) 3.692 4.738 ( 1.837 0.000 0.201) 1.848 4.855 ( -0.771 0.000 0.843) 1.142 4.864 ( -2.235 0.000 -1.502) 2.692 4.975 ( 0.674 0.000 3.925) 3.983 5.068 ( 2.208 0.000 -1.722) 2.800 5.189 ( -0.608 0.000 1.980) 2.071 5.268 ( 1.137 0.000 -1.636) 1.993 5.318 ( 5.692 0.000 3.988) 6.950 5.430 ( 2.474 0.000 5.149) 5.713 5.476 ( -0.352 0.000 -4.980) 4.992 5.499 ( -3.237 0.000 4.669) 5.681 5.546 ( 1.360 0.000 0.415) 1.422 5.626 ( -4.703 0.000 0.388) 4.719 5.627 ( -1.189 0.000 8.987) 9.065 5.708 ( -0.954 0.000 -1.188) 1.524 5.747 ( 6.441 0.000 -3.626) 7.391 5.893 ( 0.445 0.000 -0.852) 0.961 5.966 ( -1.076 0.000 1.033) 1.492 6.003 ( -3.139 0.000 -1.663) 3.552 6.138 ( 3.789 0.000 -4.155) 5.623 6.207 ( -0.476 0.000 -1.574) 1.644 6.237 ( 0.762 0.000 0.143) 0.776 6.238 ( 2.144 0.000 0.062) 2.145 6.362 ( 2.057 0.000 -1.184) 2.374 6.368 ( -0.299 0.000 -2.926) 2.941 6.514 ( -0.330 0.000 -0.266) 0.423 6.766 ( -0.868 0.000 -7.040) 7.094 7.202 ( -0.078 0.000 12.529) 12.529 7.319 ( 2.993 0.000 8.214) 8.742 7.554 ( -4.598 0.000 -0.948) 4.695 7.576 ( 0.469 0.000 1.782) 1.843 7.625 ( -0.452 0.000 -7.055) 7.069 7.676 ( -1.166 0.000 -3.003) 3.222 7.713 ( 1.561 0.000 1.753) 2.347 7.919 ( 2.354 0.000 -3.066) 3.865 7.987 ( 1.244 0.000 -5.092) 5.242 8.186 ( -2.431 0.000 -8.987) 9.310 8.441 ( -1.946 0.000 2.420) 3.106 8.502 ( 1.881 0.000 -1.544) 2.434 8.731 ( -6.421 0.000 12.618) 14.158 8.849 ( 2.169 0.000 -0.693) 2.277 8.874 ( -6.024 0.000 -3.104) 6.776 9.035 ( 3.273 0.000 7.029) 7.754 9.130 ( -4.875 0.000 1.344) 5.057 9.164 ( -3.977 0.000 3.520) 5.311 9.234 ( 0.389 0.000 -2.465) 2.495 9.246 ( 3.212 0.000 -1.791) 3.677 9.289 ( 4.822 0.000 1.224) 4.975 9.321 ( -1.219 0.000 -7.491) 7.589 9.434 ( 1.832 0.000 4.382) 4.749 9.557 ( 2.868 0.000 1.518) 3.245 9.821 ( 0.840 0.000 -1.498) 1.718 9.844 ( -2.384 0.000 -3.557) 4.282 10.127 ( -2.550 0.000 1.352) 2.886 10.175 ( 0.313 0.000 0.037) 0.315 10.280 ( 4.234 0.000 2.658) 4.999 10.328 ( -1.754 0.000 -0.190) 1.764 10.413 ( 3.060 0.000 -0.041) 3.060 10.495 ( 1.463 0.000 8.938) 9.057 10.537 ( -3.384 0.000 -3.262) 4.700 10.582 ( -0.646 0.000 4.950) 4.992 10.738 ( -0.210 0.000 -0.950) 0.973 10.740 ( -0.570 0.000 3.850) 3.892 10.792 ( 1.320 0.000 1.786) 2.221 10.885 ( 0.454 0.000 1.619) 1.681 10.901 ( -3.545 0.000 -0.326) 3.560 10.922 ( -0.732 0.000 -2.418) 2.526 11.111 ( 9.304 0.000 -3.478) 9.933 11.276 ( -12.823 0.000 -4.602) 13.623 11.340 ( 5.212 0.000 -3.181) 6.106 11.434 ( -0.195 0.000 -5.056) 5.060 11.740 ( 2.622 0.000 3.557) 4.419 11.827 ( 12.173 0.000 0.033) 12.173 11.852 ( -1.618 0.000 0.757) 1.786 11.916 ( -2.629 0.000 -3.494) 4.373 12.193 ( -11.072 0.000 4.815) 12.073 12.302 ( 8.971 0.000 1.686) 9.128 12.619 ( 4.088 0.000 -6.841) 7.970 12.778 ( 2.282 0.000 -15.293) 15.462 13.626 ( 4.556 0.000 9.367) 10.416 13.874 ( -8.929 0.000 -2.440) 9.257 14.159 ( -1.632 0.000 1.967) 2.555 14.214 ( 0.716 0.000 -0.673) 0.983 14.642 ( -0.692 0.000 9.748) 9.772 14.996 ( -1.447 0.000 -5.505) 5.692 15.184 ( -0.545 0.000 14.201) 14.211 15.674 ( -1.815 0.000 -9.953) 10.117 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -10.894 0.000 25.731) 27.942 1.295 ( 13.163 0.000 21.046) 24.824 1.670 ( 16.164 0.000 5.560) 17.093 1.943 ( 0.972 0.000 -18.010) 18.036 2.186 ( 1.439 0.000 -13.617) 13.693 2.261 ( -12.701 0.000 10.850) 16.704 2.428 ( 3.274 0.000 8.635) 9.235 2.452 ( -3.776 0.000 -11.833) 12.421 2.458 ( 0.123 0.000 -12.003) 12.003 2.631 ( 9.188 0.000 -4.712) 10.325 2.712 ( -0.325 0.000 8.070) 8.076 2.781 ( 2.373 0.000 10.966) 11.220 3.020 ( 3.789 0.000 -7.320) 8.243 3.050 ( 2.396 0.000 1.477) 2.815 3.070 ( -5.849 0.000 -11.679) 13.062 3.258 ( -4.354 0.000 -0.954) 4.457 3.327 ( -2.178 0.000 -4.738) 5.214 3.476 ( 2.918 0.000 -5.863) 6.548 3.511 ( -2.200 0.000 -3.656) 4.267 3.622 ( 0.597 0.000 0.383) 0.710 3.720 ( 1.336 0.000 -0.972) 1.652 3.738 ( 7.788 0.000 1.247) 7.887 3.911 ( -0.166 0.000 2.717) 2.723 3.950 ( 0.172 0.000 1.231) 1.242 4.109 ( 6.955 0.000 3.575) 7.820 4.197 ( -10.885 0.000 0.734) 10.910 4.334 ( 1.900 0.000 -1.424) 2.374 4.384 ( 4.528 0.000 2.578) 5.211 4.446 ( -0.505 0.000 -5.242) 5.266 4.495 ( 4.835 0.000 3.558) 6.003 4.551 ( 1.355 0.000 6.326) 6.469 4.607 ( 1.256 0.000 -5.181) 5.331 4.641 ( -5.699 0.000 -2.929) 6.408 4.790 ( 2.724 0.000 0.400) 2.754 4.875 ( 3.360 0.000 -1.242) 3.582 4.891 ( 3.921 0.000 1.116) 4.077 5.013 ( 3.081 0.000 3.053) 4.338 5.100 ( -2.286 0.000 -0.391) 2.319 5.226 ( 3.358 0.000 0.621) 3.415 5.325 ( 5.509 0.000 -2.405) 6.011 5.418 ( -3.132 0.000 4.343) 5.354 5.426 ( -0.629 0.000 -3.856) 3.907 5.490 ( 7.632 0.000 3.105) 8.239 5.522 ( -0.553 0.000 -2.757) 2.811 5.567 ( 1.974 0.000 0.474) 2.030 5.570 ( 3.409 0.000 8.100) 8.789 5.618 ( 0.287 0.000 7.991) 7.996 5.715 ( 1.261 0.000 -1.305) 1.814 5.882 ( -0.598 0.000 -1.793) 1.890 5.950 ( 9.775 0.000 -6.981) 12.012 5.956 ( -0.132 0.000 0.657) 0.670 6.023 ( 3.941 0.000 -2.012) 4.425 6.186 ( -2.070 0.000 -4.594) 5.039 6.234 ( 4.734 0.000 -4.349) 6.428 6.262 ( 1.504 0.000 3.723) 4.015 6.289 ( 4.422 0.000 -4.540) 6.337 6.394 ( 2.958 0.000 -2.595) 3.935 6.477 ( 8.598 0.000 -0.856) 8.641 6.560 ( 5.254 0.000 0.588) 5.287 6.643 ( -7.460 0.000 -1.725) 7.657 7.233 ( 3.062 0.000 11.743) 12.136 7.437 ( 6.739 0.000 7.725) 10.251 7.485 ( -1.469 0.000 0.221) 1.486 7.576 ( 0.094 0.000 2.192) 2.194 7.640 ( 1.823 0.000 -7.984) 8.190 7.694 ( 2.996 0.000 -2.058) 3.634 7.814 ( 6.869 0.000 2.098) 7.183 7.956 ( 1.475 0.000 -11.496) 11.591 8.075 ( 6.846 0.000 2.167) 7.181 8.158 ( 0.058 0.000 -7.904) 7.904 8.425 ( 0.001 0.000 3.143) 3.143 8.538 ( -6.608 0.000 6.598) 9.338 8.585 ( 5.528 0.000 -2.173) 5.940 8.821 ( -0.584 0.000 4.570) 4.607 8.871 ( -0.255 0.000 3.169) 3.179 8.974 ( -5.151 0.000 -2.302) 5.642 9.101 ( 0.417 0.000 2.679) 2.711 9.134 ( -0.199 0.000 2.995) 3.002 9.164 ( -3.563 0.000 2.513) 4.360 9.277 ( 0.804 0.000 0.030) 0.804 9.346 ( -0.200 0.000 -1.567) 1.579 9.412 ( 6.372 0.000 -5.598) 8.482 9.497 ( 3.105 0.000 2.664) 4.092 9.636 ( 3.751 0.000 0.167) 3.755 9.830 ( 1.081 0.000 -2.929) 3.122 9.849 ( 1.544 0.000 -1.032) 1.857 10.109 ( 0.546 0.000 -0.213) 0.586 10.155 ( -2.952 0.000 0.427) 2.983 10.321 ( 1.927 0.000 -0.130) 1.931 10.340 ( 1.026 0.000 2.971) 3.143 10.409 ( -2.822 0.000 0.725) 2.913 10.425 ( -6.023 0.000 -1.087) 6.121 10.522 ( -0.062 0.000 2.671) 2.672 10.575 ( -0.245 0.000 4.407) 4.414 10.708 ( -2.888 0.000 3.069) 4.214 10.750 ( 0.376 0.000 0.734) 0.825 10.781 ( -2.945 0.000 6.044) 6.724 10.805 ( -3.355 0.000 -2.815) 4.379 10.880 ( -2.838 0.000 -3.981) 4.889 10.889 ( -1.682 0.000 1.814) 2.474 11.069 ( -5.461 0.000 -2.946) 6.205 11.199 ( 1.101 0.000 -3.111) 3.300 11.401 ( 0.230 0.000 -5.346) 5.351 11.471 ( -0.721 0.000 0.656) 0.975 11.790 ( -6.142 0.000 -4.566) 7.653 11.802 ( -0.420 0.000 5.084) 5.101 11.826 ( 2.846 0.000 -2.086) 3.529 12.084 ( 6.987 0.000 -4.529) 8.327 12.107 ( 3.790 0.000 -0.914) 3.899 12.520 ( 8.780 0.000 -2.036) 9.013 12.794 ( -0.299 0.000 -14.918) 14.921 12.829 ( 18.862 0.000 -5.452) 19.634 13.667 ( -10.938 0.000 -0.078) 10.938 13.690 ( 1.884 0.000 12.069) 12.215 14.112 ( -3.048 0.000 2.578) 3.992 14.227 ( 0.454 0.000 -0.781) 0.903 14.570 ( -6.092 0.000 9.163) 11.003 14.879 ( -8.534 0.000 -4.395) 9.599 15.033 ( -13.825 0.000 13.376) 19.236 15.428 ( -19.426 0.000 -4.082) 19.851 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 11.148 0.000 5.798) 12.565 1.569 ( 8.560 0.000 7.794) 11.576 1.858 ( 2.318 0.000 -6.886) 7.265 1.935 ( -10.354 0.000 -12.647) 16.345 1.954 ( -3.578 0.000 5.639) 6.678 2.177 ( -3.982 0.000 -5.148) 6.508 2.402 ( -0.174 0.000 0.604) 0.629 2.522 ( 5.730 0.000 -5.522) 7.958 2.577 ( 10.858 0.000 -13.388) 17.238 2.627 ( -4.775 0.000 2.302) 5.301 2.700 ( -1.416 0.000 -3.993) 4.237 2.860 ( -8.890 0.000 -0.591) 8.910 2.919 ( 8.524 0.000 9.392) 12.684 3.151 ( 6.988 0.000 13.187) 14.924 3.152 ( 3.682 0.000 -8.015) 8.820 3.272 ( 4.226 0.000 -5.077) 6.606 3.385 ( 7.793 0.000 -1.707) 7.978 3.452 ( -1.891 0.000 -2.567) 3.188 3.569 ( 1.348 0.000 -5.233) 5.404 3.604 ( -3.869 0.000 -2.889) 4.829 3.779 ( 6.419 0.000 3.339) 7.235 3.822 ( 3.912 0.000 0.356) 3.929 3.883 ( -1.068 0.000 4.174) 4.309 3.925 ( -12.891 0.000 7.006) 14.672 4.021 ( 2.592 0.000 1.175) 2.846 4.252 ( 3.706 0.000 3.666) 5.213 4.376 ( 0.793 0.000 2.454) 2.579 4.391 ( -1.304 0.000 2.456) 2.781 4.420 ( -2.799 0.000 -2.917) 4.042 4.495 ( -5.271 0.000 -4.371) 6.847 4.577 ( 1.363 0.000 2.866) 3.173 4.592 ( 2.962 0.000 0.204) 2.969 4.704 ( 5.718 0.000 -4.911) 7.538 4.785 ( -5.482 0.000 2.127) 5.880 4.924 ( -6.314 0.000 -0.829) 6.368 5.013 ( 7.258 0.000 1.296) 7.373 5.023 ( 2.743 0.000 -4.052) 4.893 5.122 ( 8.718 0.000 0.534) 8.735 5.270 ( -0.156 0.000 -0.026) 0.158 5.364 ( 0.376 0.000 0.988) 1.057 5.385 ( 0.196 0.000 1.839) 1.849 5.507 ( 1.980 0.000 -1.183) 2.307 5.541 ( -2.612 0.000 -0.907) 2.765 5.545 ( 7.779 0.000 -2.533) 8.181 5.592 ( 1.423 0.000 5.880) 6.049 5.661 ( 4.949 0.000 4.658) 6.797 5.722 ( 2.614 0.000 1.765) 3.154 5.772 ( 7.437 0.000 2.776) 7.938 5.868 ( -0.377 0.000 -2.575) 2.602 5.983 ( 3.773 0.000 -0.808) 3.858 6.063 ( -1.092 0.000 -6.901) 6.987 6.105 ( 5.302 0.000 -7.094) 8.856 6.118 ( -2.946 0.000 0.753) 3.041 6.296 ( 2.635 0.000 -0.686) 2.723 6.342 ( 5.419 0.000 2.933) 6.162 6.382 ( 3.332 0.000 -5.913) 6.787 6.495 ( 6.117 0.000 -1.174) 6.229 6.632 ( 7.035 0.000 2.637) 7.513 6.638 ( 7.143 0.000 -1.241) 7.250 6.759 ( 12.300 0.000 -0.829) 12.328 7.343 ( 7.394 0.000 13.274) 15.194 7.503 ( 2.904 0.000 0.239) 2.913 7.556 ( 3.890 0.000 6.601) 7.662 7.602 ( 4.014 0.000 3.280) 5.184 7.687 ( 2.866 0.000 -8.900) 9.350 7.802 ( 7.595 0.000 0.715) 7.629 7.962 ( 7.386 0.000 2.858) 7.919 8.006 ( 4.265 0.000 -12.268) 12.988 8.185 ( 2.442 0.000 -7.222) 7.624 8.225 ( 6.869 0.000 1.259) 6.983 8.435 ( 1.190 0.000 2.494) 2.763 8.517 ( 2.679 0.000 5.408) 6.035 8.656 ( 0.433 0.000 -1.585) 1.643 8.826 ( 0.693 0.000 5.823) 5.864 8.854 ( -0.348 0.000 5.937) 5.947 8.977 ( 3.041 0.000 -4.393) 5.343 9.035 ( -0.058 0.000 -4.879) 4.879 9.142 ( 0.674 0.000 -0.312) 0.743 9.226 ( 5.567 0.000 6.006) 8.189 9.281 ( 0.002 0.000 3.213) 3.213 9.344 ( 1.254 0.000 -4.201) 4.384 9.505 ( 2.829 0.000 -2.984) 4.111 9.541 ( 1.277 0.000 2.481) 2.790 9.690 ( 1.336 0.000 -1.148) 1.762 9.860 ( -0.968 0.000 1.703) 1.959 9.864 ( 1.583 0.000 -2.681) 3.113 10.074 ( -4.890 0.000 -1.610) 5.148 10.127 ( 0.477 0.000 -0.611) 0.776 10.291 ( -5.471 0.000 -1.281) 5.619 10.297 ( -5.151 0.000 -0.129) 5.153 10.336 ( -3.605 0.000 4.886) 6.072 10.372 ( 1.235 0.000 -0.649) 1.395 10.523 ( 0.562 0.000 -0.568) 0.799 10.568 ( -1.291 0.000 1.702) 2.136 10.612 ( -4.697 0.000 1.949) 5.085 10.697 ( -3.780 0.000 1.349) 4.013 10.725 ( -2.648 0.000 5.107) 5.753 10.796 ( -0.818 0.000 0.283) 0.865 10.830 ( -2.426 0.000 -2.709) 3.637 10.835 ( -1.357 0.000 -1.505) 2.026 11.012 ( -1.384 0.000 -0.648) 1.528 11.217 ( 0.342 0.000 -0.688) 0.769 11.325 ( -7.785 0.000 -1.856) 8.003 11.372 ( -6.948 0.000 2.536) 7.396 11.671 ( -4.652 0.000 -6.893) 8.316 11.745 ( -3.212 0.000 -2.792) 4.256 11.868 ( -0.689 0.000 -2.363) 2.461 12.127 ( -1.666 0.000 0.244) 1.683 12.321 ( 13.566 0.000 0.437) 13.573 12.663 ( 5.459 0.000 -2.427) 5.975 12.781 ( 0.263 0.000 -11.389) 11.392 13.251 ( 16.585 0.000 -1.463) 16.650 13.478 ( -3.613 0.000 -6.422) 7.369 13.722 ( 1.107 0.000 14.797) 14.838 14.019 ( -7.220 0.000 5.895) 9.321 14.224 ( -1.096 0.000 -2.098) 2.367 14.427 ( -7.148 0.000 7.244) 10.177 14.684 ( -17.979 0.000 9.645) 20.402 14.702 ( -8.014 0.000 -4.376) 9.131 14.980 ( -21.964 0.000 -3.030) 22.172 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 16.199 0.000 -13.510) 21.094 1.441 ( -14.627 0.000 4.225) 15.225 1.737 ( -7.379 0.000 -16.084) 17.696 1.742 ( -11.115 0.000 2.715) 11.442 2.125 ( 13.308 0.000 10.336) 16.851 2.150 ( 3.151 0.000 -15.532) 15.848 2.450 ( 5.353 0.000 4.850) 7.223 2.559 ( -0.873 0.000 -0.599) 1.059 2.620 ( -4.986 0.000 -1.592) 5.234 2.651 ( 6.785 0.000 -10.050) 12.126 2.808 ( 2.556 0.000 -3.953) 4.708 2.844 ( 13.225 0.000 -10.682) 17.000 3.088 ( 7.736 0.000 3.326) 8.421 3.096 ( -6.816 0.000 -4.444) 8.137 3.249 ( -0.949 0.000 10.492) 10.535 3.312 ( -4.427 0.000 -0.136) 4.429 3.452 ( -6.189 0.000 0.646) 6.222 3.474 ( 2.642 0.000 -2.100) 3.375 3.478 ( -2.823 0.000 -0.743) 2.919 3.607 ( 9.415 0.000 2.212) 9.671 3.696 ( -9.038 0.000 10.935) 14.187 3.812 ( -3.949 0.000 -1.471) 4.215 3.966 ( -5.059 0.000 3.794) 6.323 4.008 ( 7.681 0.000 3.476) 8.431 4.040 ( 13.009 0.000 -7.621) 15.076 4.203 ( -5.704 0.000 8.065) 9.878 4.352 ( 0.584 0.000 7.294) 7.317 4.364 ( 0.332 0.000 -5.590) 5.600 4.407 ( -0.177 0.000 3.511) 3.515 4.464 ( -2.758 0.000 -2.353) 3.625 4.577 ( -5.243 0.000 1.855) 5.561 4.580 ( -1.335 0.000 2.675) 2.990 4.624 ( -4.374 0.000 -1.755) 4.713 4.808 ( 4.274 0.000 -2.278) 4.843 4.813 ( -2.427 0.000 -3.738) 4.456 5.035 ( -4.990 0.000 4.831) 6.946 5.081 ( 1.657 0.000 -6.322) 6.535 5.227 ( 3.916 0.000 1.846) 4.329 5.398 ( 2.948 0.000 -3.615) 4.665 5.411 ( 1.746 0.000 5.226) 5.510 5.422 ( 4.571 0.000 2.122) 5.040 5.504 ( 5.259 0.000 -5.008) 7.262 5.544 ( 2.207 0.000 -1.234) 2.529 5.618 ( 0.877 0.000 7.286) 7.339 5.644 ( 3.312 0.000 3.147) 4.568 5.723 ( -0.535 0.000 1.458) 1.553 5.803 ( 3.053 0.000 -3.780) 4.859 5.860 ( 1.393 0.000 -0.735) 1.575 5.886 ( 1.965 0.000 -2.229) 2.972 6.026 ( -0.855 0.000 -5.331) 5.399 6.068 ( 2.309 0.000 2.615) 3.488 6.151 ( 6.820 0.000 1.020) 6.896 6.196 ( 4.308 0.000 -6.326) 7.654 6.342 ( 1.176 0.000 0.708) 1.372 6.416 ( 0.116 0.000 -2.905) 2.907 6.446 ( 4.014 0.000 1.581) 4.314 6.599 ( 3.401 0.000 0.229) 3.408 6.787 ( 7.025 0.000 -3.368) 7.791 6.811 ( 7.881 0.000 2.234) 8.191 6.968 ( 6.983 0.000 -0.821) 7.031 7.495 ( 4.845 0.000 12.994) 13.868 7.584 ( 4.531 0.000 0.765) 4.595 7.625 ( 4.118 0.000 4.902) 6.402 7.747 ( 2.782 0.000 -8.379) 8.829 7.767 ( 11.100 0.000 5.373) 12.332 8.004 ( 11.524 0.000 2.484) 11.788 8.128 ( 8.844 0.000 0.423) 8.854 8.129 ( 7.323 0.000 -10.415) 12.732 8.245 ( 4.020 0.000 -3.304) 5.204 8.336 ( 4.232 0.000 -1.725) 4.570 8.463 ( 1.056 0.000 2.753) 2.949 8.594 ( 4.035 0.000 7.441) 8.464 8.641 ( -1.167 0.000 -2.168) 2.462 8.829 ( -1.330 0.000 7.352) 7.472 8.835 ( -0.287 0.000 3.637) 3.648 9.046 ( 3.322 0.000 -2.790) 4.338 9.127 ( 5.807 0.000 -1.952) 6.127 9.158 ( 1.174 0.000 -0.438) 1.254 9.300 ( 0.906 0.000 -0.063) 0.908 9.357 ( 6.177 0.000 -1.348) 6.322 9.403 ( 4.768 0.000 -4.647) 6.658 9.538 ( 0.481 0.000 -0.983) 1.095 9.572 ( 2.389 0.000 4.069) 4.718 9.681 ( -1.538 0.000 -3.616) 3.929 9.829 ( -1.901 0.000 4.370) 4.766 9.861 ( -2.461 0.000 -2.122) 3.250 9.944 ( -6.132 0.000 -2.036) 6.461 10.089 ( -4.821 0.000 0.399) 4.837 10.193 ( -4.018 0.000 0.606) 4.063 10.229 ( -1.133 0.000 0.120) 1.140 10.277 ( -1.375 0.000 4.999) 5.185 10.355 ( -2.973 0.000 -2.368) 3.801 10.500 ( -3.066 0.000 -0.306) 3.081 10.551 ( 1.472 0.000 -3.775) 4.052 10.566 ( -1.630 0.000 1.727) 2.374 10.628 ( -2.483 0.000 4.269) 4.939 10.654 ( -4.187 0.000 2.262) 4.758 10.715 ( -3.598 0.000 -4.853) 6.041 10.831 ( 0.679 0.000 1.899) 2.017 10.837 ( 0.707 0.000 -0.721) 1.010 10.974 ( -3.733 0.000 0.886) 3.836 11.125 ( -8.508 0.000 -3.402) 9.163 11.141 ( -7.167 0.000 0.076) 7.167 11.313 ( 1.195 0.000 6.704) 6.809 11.587 ( -3.894 0.000 -7.283) 8.259 11.642 ( -7.658 0.000 -11.192) 13.561 11.862 ( 2.238 0.000 -1.001) 2.452 12.055 ( -5.055 0.000 4.333) 6.658 12.532 ( 5.526 0.000 -2.169) 5.936 12.727 ( 1.091 0.000 2.063) 2.334 12.864 ( 9.057 0.000 -1.512) 9.183 13.325 ( 0.973 0.000 -13.704) 13.738 13.659 ( 8.540 0.000 3.811) 9.352 13.683 ( -12.765 0.000 7.987) 15.058 13.801 ( -7.059 0.000 20.464) 21.648 14.161 ( -4.260 0.000 -7.321) 8.470 14.322 ( -2.504 0.000 4.169) 4.863 14.406 ( -8.417 0.000 3.922) 9.286 14.527 ( -8.623 0.000 -2.660) 9.024 14.655 ( -7.481 0.000 -8.592) 11.393 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -4.581 0.000 -2.229) 5.094 1.393 ( -3.106 0.000 -11.636) 12.044 1.582 ( -6.189 0.000 -7.601) 9.803 1.711 ( 8.483 0.000 -12.489) 15.098 2.216 ( 3.659 0.000 -8.158) 8.941 2.360 ( 6.601 0.000 8.709) 10.928 2.454 ( -9.340 0.000 -5.205) 10.692 2.604 ( 3.679 0.000 -4.168) 5.560 2.671 ( 11.828 0.000 5.832) 13.187 2.786 ( 6.517 0.000 -6.716) 9.358 2.807 ( -3.154 0.000 -4.120) 5.189 3.033 ( 2.621 0.000 0.490) 2.666 3.044 ( 0.936 0.000 -0.521) 1.071 3.096 ( -0.815 0.000 -3.544) 3.636 3.120 ( -10.336 0.000 3.954) 11.066 3.275 ( 4.370 0.000 -1.727) 4.699 3.387 ( -2.383 0.000 -1.253) 2.692 3.433 ( -3.287 0.000 -1.653) 3.679 3.504 ( -3.355 0.000 9.085) 9.685 3.589 ( 5.145 0.000 2.124) 5.566 3.726 ( -2.217 0.000 -4.410) 4.936 3.782 ( 4.451 0.000 -1.522) 4.704 3.898 ( -8.619 0.000 6.643) 10.882 3.929 ( 0.322 0.000 0.680) 0.753 4.125 ( -6.136 0.000 4.648) 7.698 4.208 ( 2.352 0.000 -2.973) 3.791 4.250 ( -10.231 0.000 8.013) 12.995 4.355 ( -2.532 0.000 5.317) 5.889 4.467 ( 3.893 0.000 -0.460) 3.920 4.478 ( -3.217 0.000 2.734) 4.222 4.535 ( 0.389 0.000 -4.144) 4.162 4.546 ( 3.922 0.000 3.425) 5.206 4.676 ( 12.806 0.000 2.236) 13.000 4.838 ( 3.810 0.000 -4.853) 6.170 4.873 ( 2.201 0.000 -2.162) 3.085 4.927 ( -3.687 0.000 2.980) 4.741 5.104 ( 1.524 0.000 -5.799) 5.996 5.269 ( -1.749 0.000 -4.180) 4.532 5.402 ( -0.988 0.000 4.326) 4.437 5.420 ( -1.395 0.000 4.533) 4.743 5.445 ( 2.672 0.000 1.344) 2.991 5.579 ( 0.608 0.000 -0.353) 0.703 5.614 ( -1.019 0.000 7.158) 7.230 5.692 ( -0.065 0.000 0.173) 0.184 5.697 ( 6.369 0.000 -2.901) 6.999 5.723 ( 0.018 0.000 2.968) 2.968 5.747 ( -4.353 0.000 0.648) 4.401 5.907 ( 1.533 0.000 -5.288) 5.506 5.913 ( 1.948 0.000 -5.434) 5.773 6.035 ( 0.631 0.000 -3.987) 4.036 6.095 ( 0.123 0.000 2.108) 2.112 6.282 ( 4.662 0.000 0.559) 4.696 6.291 ( 4.203 0.000 -5.231) 6.710 6.338 ( -1.027 0.000 3.430) 3.580 6.395 ( -1.735 0.000 -2.015) 2.659 6.492 ( 0.272 0.000 -0.395) 0.479 6.636 ( 0.661 0.000 2.256) 2.351 6.897 ( 3.152 0.000 -5.099) 5.994 6.919 ( 2.712 0.000 3.685) 4.575 7.043 ( 0.761 0.000 -0.463) 0.890 7.530 ( -0.656 0.000 8.940) 8.964 7.670 ( 3.414 0.000 1.227) 3.628 7.671 ( -0.929 0.000 7.388) 7.446 7.787 ( 1.236 0.000 -6.362) 6.480 7.976 ( 5.336 0.000 3.601) 6.438 8.195 ( 3.530 0.000 -3.967) 5.310 8.228 ( 0.921 0.000 -2.320) 2.496 8.257 ( 5.232 0.000 5.876) 7.867 8.406 ( 5.646 0.000 0.819) 5.705 8.439 ( 6.264 0.000 -11.191) 12.825 8.523 ( 9.389 0.000 3.299) 9.952 8.619 ( -1.072 0.000 -1.719) 2.026 8.675 ( 4.314 0.000 10.683) 11.521 8.803 ( -1.379 0.000 6.284) 6.434 8.819 ( -0.951 0.000 0.707) 1.185 9.087 ( 0.270 0.000 -1.563) 1.586 9.165 ( -1.684 0.000 -0.427) 1.737 9.211 ( 2.776 0.000 0.333) 2.796 9.311 ( 0.974 0.000 -2.597) 2.774 9.356 ( -7.863 0.000 -4.632) 9.126 9.499 ( 3.868 0.000 -1.843) 4.285 9.531 ( -0.971 0.000 -0.087) 0.975 9.649 ( 3.912 0.000 2.309) 4.543 9.715 ( 4.594 0.000 -2.838) 5.400 9.765 ( -0.956 0.000 -3.787) 3.906 9.771 ( -5.048 0.000 -1.133) 5.173 9.927 ( 2.876 0.000 3.085) 4.218 9.971 ( -5.598 0.000 6.144) 8.312 10.107 ( -4.594 0.000 0.239) 4.600 10.203 ( -1.726 0.000 2.762) 3.257 10.255 ( -5.695 0.000 -2.670) 6.290 10.285 ( 1.129 0.000 1.631) 1.984 10.460 ( -2.425 0.000 -0.240) 2.437 10.537 ( -1.802 0.000 1.279) 2.209 10.538 ( 1.213 0.000 -0.340) 1.260 10.577 ( -2.357 0.000 -0.727) 2.467 10.605 ( 0.701 0.000 2.106) 2.219 10.731 ( 0.439 0.000 -9.513) 9.523 10.818 ( -2.999 0.000 6.028) 6.733 10.855 ( 4.576 0.000 -1.948) 4.974 10.895 ( -0.757 0.000 -0.754) 1.069 10.987 ( -3.563 0.000 -0.347) 3.580 11.080 ( -0.823 0.000 0.446) 0.936 11.353 ( 2.089 0.000 4.107) 4.608 11.457 ( -8.536 0.000 -12.402) 15.056 11.512 ( -2.760 0.000 -5.404) 6.068 11.941 ( -5.280 0.000 4.392) 6.867 11.990 ( 10.223 0.000 -2.109) 10.438 12.577 ( -0.062 0.000 -2.218) 2.219 12.724 ( -1.817 0.000 -1.662) 2.462 13.090 ( 6.901 0.000 7.912) 10.499 13.291 ( -14.431 0.000 9.726) 17.403 13.412 ( 6.565 0.000 -11.324) 13.089 13.579 ( -11.504 0.000 5.465) 12.735 13.747 ( -2.945 0.000 16.357) 16.620 14.186 ( 5.745 0.000 -7.714) 9.618 14.306 ( -1.103 0.000 2.490) 2.724 14.317 ( 0.135 0.000 3.559) 3.561 14.444 ( -0.265 0.000 -5.576) 5.583 14.571 ( -1.832 0.000 -10.272) 10.434 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 7.044 0.000 -10.465) 12.615 1.434 ( 9.315 0.000 -8.343) 12.505 1.549 ( 4.295 0.000 -0.865) 4.381 1.699 ( -11.332 0.000 -14.734) 18.588 2.151 ( -14.484 0.000 0.236) 14.486 2.386 ( -7.422 0.000 3.377) 8.154 2.399 ( 13.557 0.000 -8.617) 16.064 2.629 ( -0.484 0.000 0.618) 0.785 2.742 ( -2.797 0.000 -5.834) 6.470 2.820 ( -4.508 0.000 -5.475) 7.093 2.829 ( -9.520 0.000 2.889) 9.948 2.950 ( 7.544 0.000 3.197) 8.193 3.067 ( 6.687 0.000 -5.496) 8.656 3.121 ( -5.643 0.000 -6.706) 8.764 3.218 ( 9.282 0.000 5.325) 10.701 3.220 ( -2.978 0.000 -3.345) 4.478 3.347 ( 8.050 0.000 5.100) 9.530 3.408 ( 0.089 0.000 -2.863) 2.864 3.625 ( 2.839 0.000 -0.174) 2.844 3.641 ( -8.919 0.000 4.737) 10.099 3.703 ( 9.680 0.000 2.781) 10.072 3.758 ( -6.783 0.000 1.883) 7.040 3.847 ( 4.599 0.000 1.329) 4.787 3.912 ( -2.162 0.000 -0.529) 2.225 4.061 ( -2.796 0.000 7.902) 8.382 4.078 ( -1.026 0.000 -0.809) 1.306 4.234 ( 1.577 0.000 1.881) 2.454 4.302 ( -2.276 0.000 2.917) 3.699 4.398 ( -4.999 0.000 5.834) 7.683 4.400 ( -5.620 0.000 4.410) 7.143 4.614 ( 1.674 0.000 -3.818) 4.169 4.638 ( 6.688 0.000 3.660) 7.624 4.875 ( 2.809 0.000 -2.150) 3.537 4.887 ( -1.383 0.000 2.027) 2.454 4.937 ( 5.364 0.000 -1.277) 5.514 4.955 ( 6.182 0.000 -8.834) 10.782 5.179 ( -5.777 0.000 -10.506) 11.990 5.194 ( 6.631 0.000 -1.419) 6.781 5.357 ( -3.649 0.000 2.695) 4.537 5.375 ( -1.820 0.000 6.085) 6.351 5.488 ( 0.235 0.000 3.375) 3.383 5.530 ( -6.613 0.000 -0.390) 6.624 5.616 ( 1.241 0.000 7.361) 7.465 5.655 ( -2.641 0.000 -2.441) 3.596 5.684 ( 0.072 0.000 2.141) 2.142 5.697 ( -1.657 0.000 1.807) 2.452 5.757 ( 0.137 0.000 4.591) 4.593 5.933 ( -1.458 0.000 -4.067) 4.320 5.940 ( 1.542 0.000 -4.050) 4.333 6.024 ( -1.426 0.000 -7.451) 7.586 6.066 ( -3.110 0.000 -0.043) 3.110 6.259 ( -4.135 0.000 -1.011) 4.257 6.316 ( -4.143 0.000 -0.719) 4.205 6.331 ( 0.342 0.000 0.832) 0.899 6.427 ( 4.524 0.000 -1.530) 4.775 6.457 ( -3.428 0.000 -1.157) 3.618 6.640 ( -0.450 0.000 3.720) 3.747 6.898 ( -3.098 0.000 -5.442) 6.262 6.934 ( -1.283 0.000 4.863) 5.030 7.009 ( -4.002 0.000 -0.600) 4.047 7.488 ( -3.464 0.000 8.243) 8.941 7.603 ( -5.202 0.000 9.304) 10.659 7.707 ( 0.007 0.000 -0.499) 0.499 7.805 ( 0.796 0.000 -2.281) 2.416 7.911 ( -9.816 0.000 0.559) 9.832 8.170 ( -3.752 0.000 -1.580) 4.071 8.207 ( -3.195 0.000 0.742) 3.280 8.276 ( -4.669 0.000 5.237) 7.016 8.404 ( -3.397 0.000 3.259) 4.707 8.483 ( -5.344 0.000 -12.741) 13.816 8.606 ( 0.945 0.000 -3.133) 3.273 8.687 ( -0.335 0.000 -4.042) 4.056 8.791 ( 3.714 0.000 12.405) 12.949 8.810 ( 2.787 0.000 2.222) 3.564 8.827 ( 3.505 0.000 4.670) 5.839 9.044 ( -4.987 0.000 -3.880) 6.319 9.123 ( -0.000 0.000 -4.309) 4.309 9.172 ( -6.318 0.000 0.372) 6.329 9.268 ( 2.268 0.000 0.667) 2.364 9.357 ( 3.375 0.000 0.394) 3.398 9.469 ( -4.507 0.000 -0.873) 4.590 9.548 ( -0.630 0.000 -0.586) 0.860 9.670 ( -0.604 0.000 -2.434) 2.508 9.700 ( -2.752 0.000 -1.733) 3.252 9.711 ( 0.241 0.000 -0.419) 0.484 9.875 ( -3.853 0.000 11.233) 11.875 9.881 ( 5.589 0.000 -4.872) 7.415 9.990 ( 2.610 0.000 3.100) 4.052 10.027 ( -2.568 0.000 -0.681) 2.656 10.137 ( -1.204 0.000 -1.788) 2.155 10.242 ( 3.753 0.000 3.530) 5.152 10.307 ( 1.454 0.000 -1.141) 1.848 10.478 ( 4.942 0.000 0.599) 4.978 10.499 ( -1.322 0.000 1.391) 1.919 10.566 ( 0.327 0.000 -1.665) 1.696 10.587 ( 2.377 0.000 2.686) 3.587 10.673 ( -2.247 0.000 -6.322) 6.710 10.675 ( 3.717 0.000 1.333) 3.948 10.801 ( 2.929 0.000 0.761) 3.026 10.902 ( 0.954 0.000 2.632) 2.800 10.948 ( -1.159 0.000 -0.821) 1.421 11.047 ( 10.977 0.000 -3.294) 11.460 11.066 ( -0.291 0.000 1.585) 1.612 11.283 ( -6.215 0.000 -9.930) 11.715 11.440 ( 4.390 0.000 -1.500) 4.640 11.492 ( 1.071 0.000 -2.843) 3.038 11.878 ( -0.372 0.000 -0.201) 0.423 12.250 ( 12.493 0.000 -7.015) 14.328 12.554 ( -0.071 0.000 4.773) 4.774 12.631 ( -6.932 0.000 -4.036) 8.021 12.845 ( -14.542 0.000 11.310) 18.423 13.253 ( -13.777 0.000 2.639) 14.027 13.420 ( 6.049 0.000 16.496) 17.570 13.698 ( 15.085 0.000 -7.727) 16.948 13.712 ( 4.231 0.000 4.818) 6.412 14.284 ( 3.498 0.000 -1.404) 3.770 14.304 ( 1.236 0.000 3.512) 3.723 14.347 ( 2.084 0.000 3.787) 4.322 14.440 ( -0.539 0.000 -5.422) 5.448 14.599 ( 4.994 0.000 -14.874) 15.690 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -19.985 0.000 -3.805) 20.344 1.439 ( 9.510 0.000 -15.415) 18.113 1.655 ( 1.280 0.000 7.417) 7.526 1.750 ( 19.534 0.000 -7.954) 21.091 1.989 ( -4.908 0.000 -7.809) 9.223 2.157 ( -4.256 0.000 9.970) 10.841 2.536 ( -6.399 0.000 -9.833) 11.732 2.551 ( -13.201 0.000 -0.717) 13.221 2.596 ( -2.878 0.000 2.068) 3.544 2.756 ( 3.187 0.000 -7.702) 8.335 2.801 ( 6.248 0.000 -11.751) 13.309 2.956 ( -5.030 0.000 -9.340) 10.608 3.122 ( 7.075 0.000 0.103) 7.076 3.127 ( -1.996 0.000 4.231) 4.678 3.200 ( -3.780 0.000 -0.354) 3.797 3.356 ( -5.828 0.000 3.833) 6.975 3.406 ( 7.267 0.000 2.521) 7.692 3.436 ( -10.650 0.000 -1.579) 10.766 3.544 ( -0.589 0.000 8.079) 8.100 3.625 ( -1.310 0.000 9.252) 9.344 3.653 ( 8.430 0.000 -4.282) 9.455 3.813 ( -1.882 0.000 -5.755) 6.055 3.919 ( 4.545 0.000 5.171) 6.884 3.969 ( 4.278 0.000 -1.142) 4.427 4.042 ( 3.085 0.000 6.998) 7.648 4.148 ( 3.675 0.000 -1.895) 4.135 4.222 ( -3.549 0.000 2.920) 4.596 4.263 ( -4.949 0.000 2.801) 5.687 4.296 ( -2.217 0.000 2.533) 3.366 4.372 ( 6.636 0.000 7.155) 9.759 4.661 ( 4.615 0.000 -2.395) 5.199 4.793 ( 6.546 0.000 -0.324) 6.554 4.839 ( -3.567 0.000 2.080) 4.129 4.851 ( -3.046 0.000 -4.677) 5.581 4.984 ( -5.370 0.000 -12.909) 13.982 5.052 ( 5.708 0.000 3.446) 6.668 5.113 ( 1.120 0.000 -9.456) 9.522 5.195 ( -4.527 0.000 2.755) 5.299 5.320 ( -9.263 0.000 0.851) 9.303 5.335 ( -2.003 0.000 4.529) 4.953 5.388 ( 0.733 0.000 -2.334) 2.447 5.471 ( -1.999 0.000 7.688) 7.944 5.595 ( -2.630 0.000 -2.330) 3.514 5.627 ( 0.029 0.000 4.361) 4.361 5.663 ( -3.032 0.000 -1.084) 3.220 5.738 ( -1.733 0.000 9.569) 9.725 5.752 ( 4.587 0.000 -1.940) 4.980 5.831 ( -7.209 0.000 2.032) 7.490 5.955 ( -1.373 0.000 -5.871) 6.029 5.979 ( -4.477 0.000 -2.131) 4.958 5.983 ( -1.110 0.000 -6.268) 6.366 6.153 ( -6.701 0.000 -0.539) 6.723 6.220 ( -3.970 0.000 -2.876) 4.902 6.308 ( -2.222 0.000 0.842) 2.376 6.371 ( -4.685 0.000 0.009) 4.685 6.487 ( 0.126 0.000 -2.246) 2.249 6.610 ( -2.098 0.000 3.022) 3.679 6.775 ( -8.302 0.000 -4.514) 9.450 6.857 ( -6.842 0.000 4.508) 8.194 6.878 ( -8.580 0.000 -0.774) 8.615 7.397 ( -5.131 0.000 8.785) 10.174 7.482 ( -6.385 0.000 12.758) 14.266 7.684 ( -1.830 0.000 -1.203) 2.190 7.691 ( -9.297 0.000 -1.347) 9.395 7.808 ( -0.739 0.000 0.149) 0.754 8.078 ( -8.845 0.000 1.647) 8.997 8.081 ( -4.263 0.000 -1.545) 4.535 8.128 ( -8.103 0.000 1.336) 8.212 8.264 ( -13.511 0.000 -13.532) 19.122 8.343 ( -1.745 0.000 3.797) 4.179 8.592 ( -4.740 0.000 -3.223) 5.732 8.595 ( -2.538 0.000 -2.611) 3.641 8.808 ( -3.358 0.000 9.689) 10.254 8.864 ( 1.192 0.000 4.439) 4.596 8.887 ( -0.899 0.000 1.777) 1.991 8.932 ( 0.633 0.000 -6.358) 6.389 9.106 ( -3.668 0.000 -5.358) 6.493 9.109 ( -2.002 0.000 0.441) 2.050 9.253 ( -3.664 0.000 4.287) 5.639 9.400 ( -0.910 0.000 -3.843) 3.949 9.408 ( 0.590 0.000 -0.881) 1.060 9.494 ( -3.171 0.000 7.287) 7.947 9.631 ( -2.816 0.000 -6.857) 7.412 9.654 ( -1.895 0.000 -1.723) 2.561 9.818 ( 7.192 0.000 3.814) 8.141 9.873 ( 5.091 0.000 4.309) 6.670 9.892 ( -2.266 0.000 -0.509) 2.322 10.004 ( 0.445 0.000 -0.673) 0.807 10.060 ( 4.633 0.000 2.208) 5.133 10.211 ( 5.695 0.000 -2.968) 6.422 10.341 ( 3.882 0.000 3.802) 5.434 10.342 ( 1.230 0.000 -0.402) 1.294 10.495 ( 1.165 0.000 -0.510) 1.272 10.581 ( 2.243 0.000 0.186) 2.251 10.582 ( 3.744 0.000 1.295) 3.962 10.629 ( 1.412 0.000 3.446) 3.724 10.677 ( 2.231 0.000 -1.948) 2.961 10.727 ( 1.964 0.000 2.752) 3.381 10.904 ( 6.437 0.000 -5.381) 8.390 10.916 ( -1.977 0.000 -3.213) 3.772 10.927 ( 0.334 0.000 2.399) 2.422 11.124 ( 6.737 0.000 7.698) 10.230 11.170 ( -4.863 0.000 -7.410) 8.863 11.274 ( 11.089 0.000 -1.666) 11.213 11.525 ( 3.030 0.000 -4.808) 5.684 11.551 ( 4.406 0.000 -2.132) 4.894 11.920 ( 3.793 0.000 -4.201) 5.660 12.292 ( -5.946 0.000 -5.886) 8.367 12.479 ( -6.762 0.000 -3.506) 7.617 12.629 ( -5.906 0.000 4.079) 7.178 12.771 ( 17.039 0.000 10.282) 19.900 12.967 ( -14.613 0.000 -0.743) 14.631 13.310 ( -11.969 0.000 14.884) 19.100 13.980 ( 14.500 0.000 2.536) 14.720 13.981 ( 10.061 0.000 -3.214) 10.562 14.297 ( -2.492 0.000 -2.031) 3.215 14.375 ( 5.973 0.000 7.099) 9.278 14.415 ( 6.006 0.000 3.619) 7.012 14.525 ( 10.560 0.000 -4.720) 11.567 14.744 ( 9.990 0.000 -14.163) 17.332 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -12.732 0.000 11.104) 16.894 1.558 ( -10.257 0.000 3.452) 10.822 1.577 ( 0.313 0.000 -1.047) 1.092 1.921 ( 11.989 0.000 -5.199) 13.068 2.139 ( 14.151 0.000 -4.455) 14.836 2.208 ( -6.230 0.000 0.287) 6.237 2.281 ( -14.190 0.000 -8.065) 16.322 2.502 ( 12.724 0.000 -8.058) 15.061 2.538 ( -2.029 0.000 0.963) 2.246 2.784 ( -7.166 0.000 -1.506) 7.322 2.820 ( 2.368 0.000 -5.751) 6.219 2.914 ( -8.688 0.000 -1.331) 8.790 2.995 ( -3.574 0.000 1.743) 3.976 3.111 ( -9.376 0.000 -5.420) 10.830 3.221 ( -5.132 0.000 11.740) 12.812 3.236 ( 4.838 0.000 -4.409) 6.546 3.294 ( 3.542 0.000 0.003) 3.542 3.387 ( -7.468 0.000 -1.977) 7.725 3.571 ( 2.637 0.000 2.338) 3.524 3.633 ( -5.371 0.000 -8.454) 10.016 3.678 ( 4.394 0.000 2.366) 4.991 3.857 ( 2.369 0.000 -0.177) 2.376 4.003 ( -1.187 0.000 1.607) 1.998 4.022 ( 0.712 0.000 1.839) 1.972 4.124 ( 3.529 0.000 -0.644) 3.587 4.174 ( -0.880 0.000 4.314) 4.403 4.175 ( 1.155 0.000 3.375) 3.567 4.217 ( -1.107 0.000 3.514) 3.684 4.292 ( 4.430 0.000 -2.236) 4.963 4.496 ( 2.586 0.000 2.608) 3.673 4.705 ( -4.645 0.000 1.889) 5.015 4.759 ( -3.629 0.000 -5.027) 6.200 4.836 ( 3.728 0.000 -2.010) 4.235 4.870 ( -1.921 0.000 -7.707) 7.943 4.897 ( 1.978 0.000 -2.638) 3.297 5.057 ( -8.962 0.000 2.669) 9.351 5.107 ( -2.813 0.000 -6.936) 7.485 5.109 ( -2.727 0.000 1.481) 3.104 5.222 ( 3.225 0.000 4.774) 5.761 5.311 ( -0.033 0.000 3.369) 3.369 5.350 ( -9.250 0.000 9.279) 13.102 5.392 ( -0.016 0.000 -2.895) 2.895 5.532 ( -4.367 0.000 -3.700) 5.723 5.548 ( -6.350 0.000 -1.864) 6.618 5.632 ( -0.743 0.000 6.541) 6.583 5.688 ( -3.689 0.000 5.768) 6.846 5.750 ( 0.238 0.000 6.894) 6.899 5.795 ( -1.440 0.000 -2.985) 3.314 5.881 ( -4.221 0.000 -5.449) 6.892 5.940 ( 2.259 0.000 -2.684) 3.508 5.991 ( -5.040 0.000 -6.937) 8.575 6.012 ( 0.765 0.000 -0.925) 1.200 6.162 ( -2.356 0.000 -2.895) 3.732 6.243 ( -5.886 0.000 -0.440) 5.903 6.270 ( -3.360 0.000 1.816) 3.819 6.397 ( -7.623 0.000 -0.305) 7.629 6.576 ( -3.886 0.000 1.153) 4.053 6.582 ( -9.836 0.000 -3.121) 10.320 6.683 ( -6.186 0.000 1.570) 6.382 6.692 ( -8.252 0.000 -0.778) 8.288 7.300 ( -4.354 0.000 10.136) 11.031 7.375 ( -3.919 0.000 11.691) 12.330 7.569 ( -2.818 0.000 -0.560) 2.873 7.646 ( -1.572 0.000 -0.547) 1.664 7.772 ( -2.842 0.000 -0.904) 2.983 7.897 ( -8.059 0.000 0.879) 8.107 7.939 ( -11.228 0.000 -8.527) 14.099 7.998 ( -5.229 0.000 1.172) 5.359 8.041 ( -4.351 0.000 -8.325) 9.393 8.310 ( -2.284 0.000 -1.829) 2.926 8.529 ( -2.807 0.000 -1.740) 3.303 8.551 ( 0.165 0.000 3.656) 3.660 8.721 ( -4.039 0.000 7.557) 8.568 8.798 ( -3.557 0.000 -4.111) 5.436 8.883 ( 2.000 0.000 -0.141) 2.005 9.029 ( 4.334 0.000 -1.300) 4.525 9.037 ( -1.351 0.000 -1.927) 2.354 9.050 ( -3.304 0.000 0.214) 3.311 9.225 ( 1.767 0.000 3.755) 4.150 9.355 ( -4.882 0.000 2.561) 5.513 9.385 ( -1.351 0.000 -4.228) 4.439 9.440 ( -2.292 0.000 5.596) 6.047 9.560 ( -4.608 0.000 -5.245) 6.982 9.615 ( -2.007 0.000 -0.754) 2.143 9.847 ( -1.820 0.000 0.902) 2.032 9.905 ( 1.345 0.000 0.677) 1.506 10.035 ( 7.557 0.000 0.503) 7.573 10.080 ( 7.357 0.000 1.030) 7.429 10.153 ( 3.228 0.000 -0.221) 3.235 10.303 ( 2.990 0.000 -1.731) 3.455 10.333 ( -2.208 0.000 1.413) 2.622 10.383 ( 1.616 0.000 4.267) 4.563 10.533 ( 2.715 0.000 1.392) 3.051 10.622 ( -0.066 0.000 2.734) 2.735 10.654 ( 1.913 0.000 1.574) 2.477 10.690 ( 6.633 0.000 0.072) 6.634 10.738 ( 3.719 0.000 1.731) 4.102 10.767 ( 1.647 0.000 3.521) 3.887 10.867 ( -2.403 0.000 -6.185) 6.635 10.916 ( 0.001 0.000 -7.128) 7.128 11.059 ( 7.162 0.000 4.408) 8.410 11.075 ( -4.308 0.000 -4.407) 6.163 11.294 ( 8.743 0.000 8.362) 12.098 11.488 ( 9.186 0.000 -1.922) 9.385 11.549 ( -0.152 0.000 -4.220) 4.223 11.638 ( 2.828 0.000 -3.159) 4.240 11.997 ( 3.165 0.000 -3.519) 4.733 12.114 ( -10.511 0.000 1.930) 10.686 12.365 ( -5.514 0.000 -5.878) 8.060 12.593 ( 1.752 0.000 -4.450) 4.782 12.672 ( -11.955 0.000 -1.079) 12.003 12.903 ( -13.255 0.000 11.177) 17.338 13.229 ( 12.110 0.000 6.707) 13.843 14.085 ( 0.869 0.000 -2.621) 2.762 14.150 ( 3.210 0.000 1.594) 3.584 14.231 ( -2.963 0.000 -3.201) 4.362 14.485 ( 5.381 0.000 6.769) 8.647 14.704 ( 18.683 0.000 10.022) 21.201 14.757 ( 10.054 0.000 -7.519) 12.555 15.063 ( 20.882 0.000 -7.488) 22.184 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 8.090 0.000 26.244) 27.463 1.240 ( -12.728 0.000 21.278) 24.794 1.768 ( 12.218 0.000 -9.749) 15.630 1.867 ( -23.563 0.000 10.556) 25.820 2.091 ( -1.979 0.000 -2.894) 3.506 2.237 ( 15.243 0.000 -11.869) 19.319 2.267 ( -2.301 0.000 -8.570) 8.874 2.496 ( -7.839 0.000 4.336) 8.959 2.649 ( -3.532 0.000 1.525) 3.848 2.679 ( 0.261 0.000 -7.418) 7.423 2.760 ( -4.556 0.000 6.128) 7.636 2.833 ( -3.133 0.000 -4.277) 5.302 2.896 ( 6.018 0.000 -4.392) 7.450 3.040 ( -2.854 0.000 -3.225) 4.307 3.196 ( 4.320 0.000 2.567) 5.025 3.213 ( -6.835 0.000 -9.860) 11.998 3.346 ( 5.813 0.000 -5.348) 7.898 3.455 ( 9.561 0.000 2.316) 9.837 3.506 ( -6.389 0.000 -3.065) 7.086 3.581 ( -2.351 0.000 -0.480) 2.400 3.777 ( 3.584 0.000 -4.542) 5.785 3.855 ( -8.347 0.000 -5.468) 9.979 3.900 ( -8.034 0.000 -1.001) 8.096 3.961 ( 2.780 0.000 1.257) 3.051 4.113 ( -1.289 0.000 4.696) 4.869 4.126 ( -0.936 0.000 6.113) 6.184 4.271 ( 5.136 0.000 0.875) 5.210 4.318 ( 4.190 0.000 0.134) 4.192 4.349 ( 0.819 0.000 -4.015) 4.097 4.492 ( -1.532 0.000 -3.033) 3.398 4.639 ( -1.851 0.000 6.614) 6.868 4.717 ( -0.287 0.000 -1.978) 1.999 4.728 ( -6.005 0.000 -5.786) 8.339 4.845 ( -7.338 0.000 0.334) 7.346 4.907 ( -3.743 0.000 -0.267) 3.752 4.954 ( 0.065 0.000 3.517) 3.517 4.982 ( -5.940 0.000 -1.438) 6.111 5.063 ( -1.361 0.000 -0.946) 1.658 5.225 ( -2.157 0.000 1.736) 2.769 5.262 ( 0.108 0.000 -0.288) 0.308 5.293 ( -3.013 0.000 4.295) 5.247 5.418 ( -0.734 0.000 1.732) 1.881 5.455 ( 1.238 0.000 -3.088) 3.327 5.491 ( 2.172 0.000 -1.196) 2.479 5.576 ( -4.200 0.000 5.860) 7.210 5.647 ( -0.746 0.000 10.098) 10.125 5.734 ( -5.746 0.000 -1.886) 6.047 5.739 ( -4.697 0.000 -1.485) 4.926 5.745 ( -1.499 0.000 2.093) 2.574 5.920 ( -2.588 0.000 -4.935) 5.573 6.013 ( -1.095 0.000 -1.742) 2.058 6.066 ( 1.833 0.000 -0.517) 1.904 6.100 ( -3.015 0.000 -5.623) 6.380 6.153 ( 2.517 0.000 2.222) 3.357 6.225 ( -1.397 0.000 -0.974) 1.703 6.261 ( -3.739 0.000 1.410) 3.996 6.407 ( -6.121 0.000 -1.736) 6.362 6.430 ( -6.242 0.000 0.420) 6.256 6.564 ( -4.324 0.000 -1.605) 4.612 6.697 ( 4.540 0.000 -4.102) 6.119 7.229 ( -2.619 0.000 11.384) 11.682 7.318 ( -1.977 0.000 9.129) 9.340 7.553 ( 0.791 0.000 1.166) 1.409 7.623 ( -1.115 0.000 0.676) 1.304 7.683 ( -5.439 0.000 -9.183) 10.673 7.749 ( -5.970 0.000 -3.144) 6.748 7.760 ( -5.100 0.000 0.743) 5.154 7.910 ( -2.202 0.000 1.196) 2.506 7.995 ( -1.340 0.000 -7.805) 7.920 8.249 ( -3.250 0.000 -7.309) 7.999 8.497 ( -0.674 0.000 -1.326) 1.487 8.508 ( -4.219 0.000 3.014) 5.185 8.730 ( 3.385 0.000 10.870) 11.384 8.784 ( 2.601 0.000 -3.048) 4.007 8.933 ( 1.205 0.000 -3.194) 3.414 9.001 ( -0.742 0.000 3.277) 3.360 9.093 ( 7.256 0.000 -0.077) 7.257 9.098 ( 2.978 0.000 -1.652) 3.405 9.272 ( -2.442 0.000 4.819) 5.403 9.292 ( 2.154 0.000 2.762) 3.502 9.332 ( -2.867 0.000 -6.512) 7.116 9.348 ( -8.850 0.000 -2.494) 9.195 9.450 ( -3.768 0.000 3.453) 5.111 9.563 ( -2.758 0.000 0.584) 2.819 9.821 ( -0.724 0.000 -0.119) 0.734 9.897 ( -1.845 0.000 -2.576) 3.168 10.163 ( 4.026 0.000 0.787) 4.102 10.175 ( -0.249 0.000 -1.320) 1.343 10.203 ( 1.111 0.000 1.579) 1.931 10.308 ( 3.958 0.000 1.913) 4.396 10.341 ( 0.810 0.000 -0.121) 0.819 10.438 ( 3.200 0.000 7.636) 8.279 10.579 ( 0.325 0.000 -0.704) 0.775 10.602 ( -1.284 0.000 3.572) 3.796 10.709 ( 2.889 0.000 1.466) 3.239 10.760 ( -0.961 0.000 0.825) 1.267 10.781 ( -0.124 0.000 3.224) 3.227 10.824 ( 4.020 0.000 2.197) 4.581 10.901 ( 8.276 0.000 -5.541) 9.960 10.924 ( 0.468 0.000 -6.032) 6.050 10.990 ( -4.139 0.000 -2.362) 4.766 11.200 ( 7.025 0.000 3.154) 7.700 11.444 ( 2.320 0.000 2.538) 3.439 11.498 ( -3.710 0.000 -8.314) 9.104 11.645 ( 0.824 0.000 1.474) 1.689 11.656 ( 5.983 0.000 2.115) 6.346 11.924 ( -6.602 0.000 4.006) 7.722 12.013 ( -3.390 0.000 -2.139) 4.009 12.227 ( -3.112 0.000 -5.588) 6.397 12.496 ( -16.139 0.000 8.681) 18.326 12.571 ( 0.641 0.000 -3.352) 3.413 12.718 ( 2.373 0.000 -12.402) 12.627 13.481 ( 9.825 0.000 7.859) 12.581 14.028 ( -5.749 0.000 -4.350) 7.209 14.177 ( -0.042 0.000 1.697) 1.697 14.203 ( 0.105 0.000 -1.694) 1.697 14.596 ( 4.534 0.000 8.411) 9.555 14.933 ( 6.855 0.000 -6.728) 9.605 15.049 ( 12.832 0.000 13.023) 18.283 15.488 ( 17.898 0.000 -7.842) 19.541 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 2.316 0.370 20.261) 20.396 1.381 ( -4.232 12.453 26.324) 29.428 1.614 ( 2.326 -20.920 -7.402) 22.313 1.824 ( -2.634 26.705 8.063) 28.020 2.079 ( 2.737 -14.138 10.226) 17.661 2.266 ( 3.498 1.313 -6.894) 7.841 2.373 ( 1.147 -0.918 -5.250) 5.452 2.471 ( -5.674 -5.711 -12.296) 14.697 2.555 ( 3.331 3.681 -16.461) 17.193 2.654 ( -1.302 4.819 4.519) 6.733 2.683 ( 0.417 5.847 1.316) 6.008 2.816 ( 2.473 4.073 -2.338) 5.307 2.931 ( -3.171 -1.777 -10.142) 10.773 3.074 ( -5.624 0.849 2.564) 6.239 3.226 ( 4.721 -9.762 2.729) 11.182 3.237 ( 0.125 5.164 -8.067) 9.579 3.421 ( 2.067 2.375 -1.897) 3.676 3.453 ( -2.767 -0.356 1.464) 3.151 3.526 ( -3.748 1.568 -1.478) 4.323 3.647 ( 1.896 -4.200 1.681) 4.905 3.671 ( 1.706 3.687 -2.260) 4.649 3.789 ( -5.260 6.972 -3.422) 9.380 3.869 ( 3.439 2.496 2.225) 4.796 3.958 ( -2.787 0.349 3.323) 4.351 4.080 ( -0.582 -3.306 3.380) 4.764 4.160 ( 5.774 -4.593 -0.015) 7.378 4.213 ( 3.919 -9.827 3.338) 11.094 4.246 ( 2.575 -4.618 -4.228) 6.770 4.396 ( -2.956 2.317 -4.398) 5.784 4.477 ( -1.688 -1.063 -1.120) 2.287 4.553 ( 1.142 -3.990 -0.412) 4.171 4.651 ( 0.181 -3.431 -0.577) 3.483 4.654 ( -4.056 0.910 1.973) 4.601 4.730 ( -1.527 0.019 1.712) 2.295 4.807 ( -0.476 1.842 0.342) 1.932 4.904 ( -0.723 -2.929 -3.393) 4.541 4.977 ( -2.472 0.190 2.856) 3.782 5.073 ( -0.513 2.667 -0.832) 2.840 5.188 ( -0.750 -3.581 1.919) 4.131 5.242 ( 1.637 -4.813 2.307) 5.583 5.297 ( 0.884 1.443 -2.869) 3.330 5.349 ( -1.830 -1.531 -1.096) 2.625 5.438 ( 5.235 -0.938 1.702) 5.584 5.568 ( -1.818 -3.097 -1.549) 3.911 5.621 ( -0.417 3.908 4.719) 6.142 5.645 ( 2.160 1.953 3.298) 4.400 5.670 ( -1.362 5.823 1.982) 6.300 5.730 ( -1.263 4.477 -0.286) 4.661 5.782 ( 2.966 2.280 -1.338) 3.973 5.924 ( 2.893 2.555 -1.142) 4.026 5.972 ( -2.086 -0.826 1.102) 2.500 6.040 ( -3.280 3.856 -1.296) 5.226 6.116 ( 2.383 -2.265 -4.182) 5.320 6.181 ( 0.487 -2.180 -0.700) 2.341 6.224 ( 0.651 -0.421 1.825) 1.983 6.272 ( 1.374 1.853 -1.089) 2.551 6.349 ( 0.339 -0.438 -2.263) 2.330 6.383 ( 0.767 -0.271 -2.074) 2.228 6.547 ( 0.070 3.333 -2.201) 3.994 6.719 ( 1.203 -3.585 -5.942) 7.043 7.204 ( -0.177 0.464 11.407) 11.418 7.287 ( 0.723 -2.623 8.129) 8.572 7.538 ( 0.962 -1.252 0.487) 1.652 7.581 ( -2.762 -1.504 -2.054) 3.756 7.637 ( -2.716 3.821 1.889) 5.054 7.715 ( -1.947 3.046 -5.570) 6.641 7.796 ( 1.890 5.656 -2.106) 6.325 7.933 ( 1.001 -1.594 -8.574) 8.778 8.030 ( 3.530 5.617 2.217) 6.995 8.190 ( -1.698 -0.021 -5.857) 6.098 8.424 ( 0.554 -0.699 2.940) 3.072 8.553 ( -0.960 4.184 -3.337) 5.437 8.616 ( -4.694 -8.385 9.590) 13.576 8.804 ( -2.092 -4.632 -2.672) 5.742 8.871 ( -1.223 0.760 -0.636) 1.574 9.058 ( 0.222 -3.818 -0.581) 3.868 9.085 ( 1.743 -1.126 4.943) 5.361 9.131 ( -6.166 -0.838 0.679) 6.259 9.216 ( 1.063 -0.849 -0.556) 1.470 9.246 ( 5.228 -0.323 -0.365) 5.251 9.301 ( -2.707 2.147 2.083) 4.034 9.321 ( 2.414 0.571 3.198) 4.048 9.507 ( 1.175 4.105 -1.086) 4.406 9.560 ( 1.917 0.144 1.311) 2.326 9.835 ( -1.591 0.843 -3.039) 3.533 9.856 ( -1.138 0.704 -2.415) 2.761 10.127 ( -0.702 -0.098 -0.170) 0.729 10.171 ( 0.720 -1.142 -1.213) 1.815 10.265 ( 3.023 -1.055 2.450) 4.032 10.308 ( 0.565 -2.034 1.080) 2.371 10.354 ( 0.290 -1.681 1.664) 2.383 10.487 ( -2.225 -3.801 -1.431) 4.631 10.530 ( 1.349 2.170 4.092) 4.824 10.605 ( -0.795 1.380 4.071) 4.371 10.696 ( 0.258 -2.612 0.105) 2.627 10.734 ( 0.501 -1.602 3.940) 4.282 10.789 ( -0.523 0.045 3.425) 3.465 10.850 ( 0.880 -3.615 -0.111) 3.723 10.915 ( -1.956 1.119 -1.163) 2.536 10.937 ( -1.028 1.564 -3.638) 4.091 11.046 ( 6.246 -3.172 -1.411) 7.146 11.184 ( -6.901 -6.462 -2.268) 9.722 11.324 ( 4.950 -0.637 -0.954) 5.081 11.444 ( 1.361 -1.983 -0.556) 2.469 11.658 ( 0.598 -0.001 3.416) 3.468 11.823 ( -1.949 0.023 -0.123) 1.953 11.867 ( -4.717 -1.814 -3.000) 5.877 11.911 ( 1.765 -0.793 -1.812) 2.651 12.293 ( -0.838 6.851 3.268) 7.636 12.406 ( 7.665 4.764 -0.973) 9.077 12.676 ( 1.928 5.344 -8.226) 9.997 12.777 ( 1.718 0.440 -14.158) 14.268 13.682 ( 2.930 5.593 9.916) 11.756 13.899 ( -6.211 0.672 -0.239) 6.252 14.136 ( -1.117 -1.453 1.415) 2.316 14.196 ( 0.460 -1.959 -0.902) 2.205 14.633 ( -0.442 -0.275 9.382) 9.396 14.807 ( -0.405 -9.908 5.444) 11.313 15.392 ( -1.147 11.400 0.982) 11.500 15.656 ( -1.633 -2.059 -8.699) 9.088 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 1.458 9.017 15.876) 18.316 1.364 ( 7.249 8.840 19.746) 22.817 1.709 ( 6.759 -17.508 -8.654) 20.666 1.896 ( 4.197 11.226 0.724) 12.007 2.065 ( -4.763 -10.984 10.460) 15.898 2.325 ( 1.704 9.433 -3.574) 10.231 2.398 ( 0.210 -5.523 -9.072) 10.624 2.445 ( -2.586 3.972 -15.941) 16.630 2.476 ( 0.735 1.360 -5.564) 5.775 2.695 ( 0.794 1.536 0.063) 1.730 2.744 ( -0.803 -0.761 4.703) 4.831 2.797 ( -0.838 0.873 -3.830) 4.017 2.916 ( 5.395 1.916 -3.339) 6.628 3.038 ( 2.260 0.347 0.187) 2.294 3.221 ( -1.220 5.103 -3.704) 6.422 3.270 ( -4.459 -0.471 3.009) 5.400 3.377 ( 1.273 -1.707 -2.151) 3.027 3.454 ( 1.580 -1.047 -1.245) 2.268 3.494 ( 3.057 3.713 -0.840) 4.883 3.645 ( -4.602 1.384 -1.527) 5.042 3.692 ( -3.014 1.442 -4.244) 5.402 3.780 ( 7.346 -0.175 2.397) 7.729 3.880 ( -0.678 1.846 3.492) 4.008 4.016 ( 4.107 -0.193 1.433) 4.354 4.082 ( 1.063 -4.152 3.618) 5.609 4.201 ( -3.497 -0.009 0.108) 3.498 4.250 ( 1.524 -6.534 -1.068) 6.794 4.315 ( 4.101 -4.770 0.784) 6.339 4.391 ( 3.223 -1.434 1.186) 3.721 4.479 ( -0.215 -1.008 -0.168) 1.045 4.573 ( 0.020 0.658 2.548) 2.632 4.596 ( 1.593 -0.501 -3.908) 4.250 4.626 ( -2.778 0.794 -4.359) 5.230 4.793 ( 6.053 -3.886 3.621) 8.053 4.837 ( 2.561 2.012 1.400) 3.545 4.911 ( 1.101 -2.766 -1.411) 3.295 4.986 ( 2.634 -1.606 1.859) 3.602 5.106 ( 2.770 2.324 -1.028) 3.759 5.190 ( 1.240 -3.726 3.118) 5.014 5.263 ( 0.283 -2.629 1.412) 2.998 5.342 ( 2.503 -3.179 -4.977) 6.414 5.380 ( 5.164 -2.455 0.604) 5.749 5.501 ( -0.297 -0.432 1.312) 1.413 5.555 ( 1.097 -0.525 2.994) 3.231 5.598 ( -0.450 3.127 0.029) 3.159 5.661 ( -0.503 1.642 -0.234) 1.733 5.699 ( 2.592 5.516 -0.435) 6.110 5.743 ( 2.917 7.191 3.854) 8.665 5.875 ( 3.236 -1.567 -2.026) 4.127 5.954 ( 0.739 2.381 0.127) 2.496 6.009 ( 3.375 -0.602 -3.337) 4.784 6.020 ( 3.533 4.007 -3.000) 6.127 6.154 ( 0.202 -2.785 -2.675) 3.867 6.221 ( 2.261 -1.896 -0.780) 3.052 6.273 ( 3.556 -0.658 -0.664) 3.676 6.284 ( 2.216 0.893 -1.608) 2.880 6.392 ( 3.941 0.079 -1.114) 4.096 6.450 ( 5.086 -2.778 -0.456) 5.813 6.593 ( 5.304 3.616 -2.286) 6.814 6.678 ( -2.991 2.024 -4.303) 5.618 7.231 ( 2.645 -0.163 10.973) 11.289 7.344 ( 4.054 -5.703 6.735) 9.711 7.535 ( -0.441 0.508 0.399) 0.782 7.577 ( 1.358 2.876 1.875) 3.692 7.608 ( 1.448 -2.638 -0.553) 3.059 7.694 ( 0.461 0.274 -2.888) 2.937 7.883 ( 5.447 4.299 -0.775) 6.982 7.969 ( 2.763 0.339 -10.103) 10.480 8.146 ( 7.119 5.875 2.539) 9.573 8.185 ( 1.565 2.380 -6.404) 7.009 8.430 ( -0.056 0.396 2.577) 2.608 8.495 ( -2.900 -3.091 4.647) 6.290 8.605 ( 4.165 2.134 -1.885) 5.046 8.780 ( -0.098 -3.732 3.207) 4.922 8.871 ( -0.055 0.253 2.251) 2.265 8.968 ( -4.634 -0.908 -2.238) 5.226 9.066 ( -2.252 -1.878 1.754) 3.417 9.110 ( 0.002 -3.407 0.189) 3.412 9.187 ( -2.006 2.436 5.398) 6.253 9.289 ( 1.099 0.933 0.648) 1.580 9.338 ( 0.117 -0.870 -1.311) 1.578 9.344 ( 2.891 -3.539 1.235) 4.734 9.556 ( 2.978 2.980 -2.529) 4.914 9.642 ( 5.098 -0.001 1.559) 5.331 9.819 ( 0.657 0.111 -1.901) 2.014 9.860 ( 0.972 0.191 -1.412) 1.725 10.126 ( -0.070 0.922 -1.640) 1.883 10.164 ( -1.757 0.678 -0.843) 2.063 10.307 ( 0.718 -2.811 3.059) 4.216 10.319 ( 0.797 0.179 -0.618) 1.024 10.360 ( -0.531 -3.735 0.079) 3.773 10.422 ( -3.364 -1.133 -0.908) 3.664 10.518 ( -1.724 1.229 2.182) 3.041 10.588 ( -0.921 1.482 4.320) 4.659 10.654 ( -3.703 -2.971 0.661) 4.794 10.725 ( -2.181 -3.170 2.617) 4.654 10.776 ( -1.418 -0.047 4.544) 4.760 10.832 ( -1.476 -1.244 -2.676) 3.299 10.875 ( -2.344 0.854 1.871) 3.118 10.919 ( -1.128 4.034 -4.076) 5.845 11.039 ( -4.675 -3.730 -2.034) 6.317 11.117 ( 0.873 -3.982 0.480) 4.105 11.370 ( -0.486 -1.798 -4.827) 5.174 11.500 ( 1.223 -0.364 0.809) 1.511 11.674 ( -1.309 -4.114 3.375) 5.480 11.775 ( -2.945 -3.355 -1.879) 4.844 11.850 ( 3.511 2.302 0.267) 4.207 12.001 ( 7.859 -3.737 -2.073) 8.946 12.350 ( 4.654 14.381 -2.915) 15.394 12.593 ( 5.632 5.222 -4.415) 8.859 12.759 ( 1.807 -2.677 -10.589) 11.070 12.816 ( 10.935 -1.380 -8.519) 13.930 13.696 ( -2.627 2.829 8.830) 9.638 13.754 ( -6.368 3.624 3.664) 8.192 14.102 ( -2.269 -0.354 1.695) 2.854 14.199 ( -0.343 -2.723 -0.888) 2.884 14.572 ( -5.218 0.540 8.790) 10.236 14.729 ( -6.603 -7.934 4.787) 11.378 15.211 ( -15.435 10.052 1.937) 18.521 15.423 ( -18.681 -0.851 -4.375) 19.206 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 8.500 13.227 3.039) 16.014 1.601 ( 9.354 3.568 4.262) 10.881 1.787 ( -5.325 -12.906 -4.288) 14.605 1.901 ( 1.696 -5.220 2.075) 5.868 1.983 ( -1.519 9.272 -4.856) 10.576 2.201 ( -11.874 0.942 0.264) 11.914 2.325 ( -0.017 -2.398 -1.786) 2.990 2.478 ( 3.292 -7.911 -10.618) 13.645 2.567 ( 2.804 1.989 -4.789) 5.895 2.646 ( 3.703 3.635 -9.159) 10.527 2.801 ( -1.191 7.231 -3.237) 8.011 2.869 ( 6.656 -0.203 2.310) 7.048 2.998 ( -0.058 3.108 2.049) 3.723 3.058 ( -1.449 -5.200 -7.127) 8.940 3.172 ( 4.412 4.256 7.556) 9.730 3.297 ( 4.026 0.691 -1.790) 4.460 3.430 ( -0.454 -5.068 0.627) 5.127 3.500 ( 1.060 9.039 -1.530) 9.229 3.579 ( 4.808 6.396 0.169) 8.003 3.628 ( 4.843 -8.927 -3.662) 10.796 3.650 ( 1.530 2.274 1.416) 3.085 3.795 ( -3.272 -4.044 0.899) 5.279 3.920 ( 0.802 4.923 3.240) 5.948 3.987 ( -6.892 1.879 6.361) 9.565 4.100 ( 4.808 2.532 4.711) 7.192 4.216 ( 1.564 -3.004 0.832) 3.487 4.291 ( -0.292 -9.388 8.333) 12.557 4.327 ( -2.190 -5.539 2.467) 6.447 4.410 ( -1.414 0.224 -2.529) 2.906 4.498 ( 2.963 0.949 -3.155) 4.431 4.556 ( -2.173 -0.262 -5.828) 6.226 4.572 ( 0.559 0.563 3.633) 3.719 4.701 ( 4.894 0.379 -3.196) 5.858 4.816 ( -4.380 1.002 3.020) 5.414 4.876 ( -1.386 -2.026 0.664) 2.543 4.993 ( 5.062 -0.931 -1.241) 5.294 5.065 ( 7.671 2.324 -1.361) 8.130 5.181 ( 3.419 2.115 -0.395) 4.040 5.225 ( 1.494 -3.781 2.111) 4.581 5.301 ( 4.352 -1.611 0.256) 4.648 5.398 ( 3.049 -8.507 0.607) 9.057 5.428 ( -1.134 0.817 -1.412) 1.987 5.530 ( -1.731 1.166 -0.355) 2.117 5.545 ( 4.187 0.146 3.734) 5.612 5.605 ( -3.334 2.049 -2.175) 4.477 5.662 ( 3.611 -2.794 -0.660) 4.613 5.749 ( 3.100 3.115 -1.178) 4.550 5.829 ( 3.382 5.911 3.596) 7.701 5.910 ( 2.471 1.171 -1.377) 3.062 6.001 ( 3.920 2.139 -0.551) 4.500 6.037 ( -0.635 -3.268 -5.359) 6.308 6.122 ( 3.573 1.889 -1.597) 4.346 6.153 ( 2.834 2.509 -3.771) 5.343 6.241 ( 0.587 -3.144 1.263) 3.438 6.344 ( 4.151 -1.492 0.338) 4.424 6.377 ( 2.982 -1.021 -5.587) 6.415 6.513 ( 7.056 1.497 0.444) 7.226 6.576 ( 7.558 -2.067 1.401) 7.959 6.707 ( 6.214 3.732 -1.035) 7.322 6.770 ( 10.708 0.779 -1.469) 10.836 7.327 ( 6.725 -1.245 11.190) 13.115 7.430 ( 4.604 -5.740 4.562) 8.658 7.568 ( 3.597 -0.485 -1.182) 3.817 7.598 ( 1.645 2.511 1.105) 3.198 7.700 ( 6.234 -1.515 2.131) 6.760 7.754 ( 5.270 -1.839 0.225) 5.586 7.986 ( 4.927 2.715 -3.007) 6.379 8.052 ( 5.383 1.675 -6.481) 8.590 8.246 ( 4.146 5.057 -6.429) 9.171 8.293 ( 6.238 5.576 1.604) 8.519 8.437 ( 1.067 0.055 0.687) 1.270 8.509 ( 2.863 -0.803 4.560) 5.444 8.667 ( 0.950 1.094 -1.754) 2.275 8.787 ( 0.481 -3.320 3.328) 4.725 8.852 ( -0.371 0.011 5.455) 5.468 8.988 ( 0.691 -4.348 -3.472) 5.607 9.000 ( 2.970 2.672 -3.305) 5.185 9.139 ( 2.718 -0.709 -0.321) 2.827 9.183 ( 0.177 -1.210 4.744) 4.899 9.296 ( -0.157 -1.923 4.850) 5.220 9.336 ( 2.112 -0.202 -1.596) 2.655 9.411 ( 2.469 -4.496 0.979) 5.222 9.607 ( 2.166 3.833 -3.835) 5.839 9.739 ( 3.252 2.414 -1.490) 4.315 9.834 ( 0.426 0.301 1.594) 1.677 9.889 ( 1.924 -0.290 -0.083) 1.947 10.067 ( -5.201 0.369 -1.676) 5.477 10.132 ( -2.189 -0.370 -1.641) 2.761 10.276 ( -2.706 -1.405 0.550) 3.099 10.304 ( -2.945 0.692 -0.792) 3.127 10.320 ( -2.938 -0.718 -0.235) 3.034 10.392 ( -0.212 0.599 1.694) 1.809 10.484 ( -1.402 -1.637 0.923) 2.345 10.567 ( -2.620 -2.670 1.526) 4.040 10.585 ( -0.637 -0.122 -0.741) 0.985 10.663 ( -3.324 -2.602 2.430) 4.871 10.734 ( -2.370 1.492 3.165) 4.226 10.790 ( -4.043 -1.963 -0.075) 4.495 10.826 ( -1.302 1.467 -1.135) 2.266 10.884 ( -1.608 4.286 -0.784) 4.645 10.987 ( -1.699 -3.251 -1.061) 3.818 11.119 ( -0.565 -4.593 2.798) 5.408 11.305 ( -5.592 0.107 -3.757) 6.738 11.467 ( -3.053 1.445 -0.530) 3.419 11.628 ( -2.589 -1.957 -3.136) 4.513 11.700 ( -3.715 -3.031 -1.700) 5.087 11.909 ( 0.391 4.734 -0.696) 4.801 12.224 ( 11.751 -4.706 1.192) 12.714 12.376 ( -2.581 16.324 -0.159) 16.528 12.670 ( 1.250 0.995 -5.590) 5.814 12.746 ( 1.847 -2.072 -10.726) 11.080 13.124 ( 11.159 -12.002 -1.446) 16.451 13.576 ( -3.279 6.883 -3.215) 8.274 13.720 ( 0.665 -0.478 12.723) 12.749 14.029 ( -5.738 1.219 4.379) 7.320 14.169 ( -2.945 -4.399 -1.552) 5.516 14.453 ( -5.703 2.080 7.044) 9.299 14.572 ( -8.415 -4.434 5.465) 10.971 14.851 ( -16.761 7.356 -0.933) 18.328 14.991 ( -20.997 0.405 -3.693) 21.323 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 11.958 6.211 -13.057) 18.763 1.479 ( -13.427 4.117 2.497) 14.265 1.666 ( -7.621 -5.805 -14.026) 16.986 1.760 ( -12.443 -2.619 1.182) 12.770 2.112 ( 7.947 0.960 -12.034) 14.453 2.185 ( 12.615 4.869 8.741) 16.101 2.425 ( 6.467 -3.352 2.684) 7.763 2.510 ( -0.852 -9.168 -2.230) 9.474 2.582 ( -0.342 2.955 -4.309) 5.236 2.695 ( 0.489 2.444 -5.787) 6.301 2.792 ( 2.390 4.097 -4.463) 6.513 2.987 ( 4.476 3.822 -1.994) 6.214 3.040 ( 7.059 -1.903 -3.101) 7.941 3.061 ( -2.250 -2.449 -5.287) 6.245 3.201 ( -1.793 -1.263 2.524) 3.343 3.324 ( 0.067 -5.412 1.116) 5.526 3.402 ( -1.365 0.671 -0.293) 1.549 3.511 ( -0.256 9.362 4.445) 10.366 3.580 ( -3.357 4.832 0.102) 5.885 3.727 ( 7.126 5.314 -0.392) 8.898 3.782 ( -3.194 6.814 2.872) 8.055 3.811 ( -2.880 -0.058 5.219) 5.961 3.856 ( 7.032 -6.213 2.677) 9.758 3.928 ( 0.178 -3.159 -1.342) 3.437 4.094 ( -6.061 1.655 2.055) 6.610 4.189 ( -2.395 -3.866 5.893) 7.443 4.257 ( -1.703 -8.072 7.594) 11.212 4.333 ( 0.908 -6.190 0.903) 6.321 4.404 ( 1.449 -0.150 -2.647) 3.022 4.499 ( -0.464 -1.273 0.976) 1.670 4.559 ( -1.682 5.301 1.322) 5.717 4.574 ( 0.748 4.436 0.618) 4.541 4.710 ( -2.466 6.573 0.706) 7.056 4.774 ( 2.430 -2.911 0.131) 3.794 4.838 ( -1.709 0.235 -2.165) 2.768 5.033 ( -0.281 -0.485 -1.240) 1.361 5.104 ( -5.573 -1.166 -1.618) 5.920 5.219 ( 4.676 0.975 -0.742) 4.834 5.319 ( 2.790 -4.246 2.226) 5.547 5.417 ( 1.725 -4.649 -1.317) 5.130 5.439 ( 2.419 2.179 -1.641) 3.646 5.491 ( 5.181 -2.440 -3.075) 6.500 5.520 ( 5.208 -3.340 3.082) 6.912 5.546 ( 2.426 -0.304 -0.826) 2.581 5.630 ( 1.042 0.126 6.634) 6.717 5.705 ( 0.762 -0.623 1.363) 1.681 5.824 ( 3.580 1.219 -1.313) 4.004 5.870 ( 0.805 5.295 -2.953) 6.116 5.986 ( 3.586 0.652 0.146) 3.648 6.019 ( 0.321 -1.341 -3.308) 3.584 6.085 ( 1.757 1.578 -1.595) 2.850 6.154 ( -0.124 3.045 -5.020) 5.872 6.244 ( 6.584 3.429 -1.719) 7.620 6.284 ( 2.753 -4.058 2.229) 5.387 6.387 ( -0.983 -3.420 -2.703) 4.469 6.423 ( 2.896 -1.729 -0.508) 3.411 6.632 ( 4.080 2.444 1.481) 4.982 6.732 ( 6.491 -2.648 0.816) 7.057 6.870 ( 8.005 3.248 -0.922) 8.688 6.964 ( 7.064 -0.596 -0.989) 7.157 7.484 ( 6.282 -0.822 11.510) 13.138 7.544 ( 5.722 -3.769 5.015) 8.491 7.642 ( 3.026 1.798 0.533) 3.560 7.689 ( 7.229 -1.212 -4.926) 8.831 7.817 ( 5.094 0.640 3.678) 6.316 7.911 ( 9.714 -6.434 -0.103) 11.652 8.124 ( 9.155 2.598 -1.862) 9.697 8.173 ( 6.320 1.746 -2.501) 7.017 8.332 ( 3.996 5.170 -2.892) 7.146 8.384 ( 3.093 4.016 -1.247) 5.220 8.458 ( 0.525 -0.714 1.959) 2.150 8.569 ( 1.866 -2.236 1.392) 3.228 8.684 ( 1.855 3.177 0.646) 3.735 8.794 ( 0.214 -2.953 3.555) 4.627 8.845 ( -0.097 1.576 4.417) 4.691 9.026 ( 3.079 -3.839 -0.428) 4.940 9.099 ( 2.674 0.678 -2.146) 3.495 9.169 ( 1.769 -1.041 -0.652) 2.154 9.266 ( 6.679 -1.731 0.549) 6.922 9.303 ( 1.393 -1.310 -0.932) 2.128 9.403 ( 2.942 -1.870 -0.858) 3.590 9.458 ( 3.043 -4.878 1.975) 6.079 9.640 ( 0.330 4.758 -2.258) 5.277 9.717 ( -3.862 2.051 -3.234) 5.439 9.863 ( 1.288 3.085 3.132) 4.581 9.924 ( -1.503 -1.062 0.043) 1.841 9.943 ( -3.730 4.599 -1.937) 6.230 10.064 ( -3.677 -2.137 0.085) 4.254 10.216 ( -4.262 1.777 1.334) 4.807 10.247 ( -0.661 -0.728 1.124) 1.493 10.268 ( -1.707 2.137 -0.282) 2.750 10.364 ( -2.379 0.314 -1.189) 2.678 10.449 ( -2.050 -2.702 0.008) 3.392 10.523 ( -1.998 -3.823 1.097) 4.451 10.579 ( -2.690 -1.299 2.563) 3.936 10.626 ( 1.367 -2.792 -2.451) 3.959 10.678 ( -3.227 4.094 0.246) 5.219 10.696 ( -2.554 2.488 -0.980) 3.698 10.821 ( 0.715 -0.412 -1.845) 2.021 10.865 ( -0.562 2.645 2.751) 3.857 10.930 ( -3.842 -2.986 1.258) 5.026 11.087 ( -3.321 -4.286 0.900) 5.496 11.183 ( -4.278 5.257 -3.844) 7.792 11.412 ( -2.104 1.736 -1.342) 3.040 11.557 ( -4.320 -0.176 -5.182) 6.749 11.640 ( -2.798 -0.611 -3.759) 4.725 11.876 ( -1.519 4.465 -1.077) 4.838 12.246 ( -9.029 14.826 4.727) 17.992 12.422 ( 6.031 -10.280 3.476) 12.415 12.655 ( -0.345 -0.600 -6.291) 6.329 12.853 ( 7.568 -3.455 -3.822) 9.156 13.155 ( -4.704 -16.850 0.716) 17.509 13.605 ( -1.417 3.421 -3.365) 5.003 13.768 ( 1.600 -1.291 12.983) 13.144 13.853 ( -7.860 5.765 7.867) 12.526 14.076 ( -4.609 -6.067 -4.066) 8.636 14.363 ( -3.042 2.655 4.643) 6.153 14.405 ( -6.470 0.247 5.030) 8.199 14.598 ( -8.007 5.020 -4.422) 10.434 14.680 ( -7.626 1.526 -8.478) 11.505 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -5.602 3.629 -2.987) 7.313 1.406 ( -4.884 0.436 -8.944) 10.200 1.542 ( -2.618 -2.259 -12.795) 13.254 1.680 ( 4.164 -3.611 -13.643) 14.714 2.241 ( 6.343 3.029 -6.700) 9.711 2.392 ( 0.704 2.482 8.291) 8.683 2.424 ( -6.142 -2.759 -3.782) 7.722 2.546 ( 6.924 -4.228 0.379) 8.121 2.665 ( 3.686 -3.017 -4.184) 6.340 2.691 ( 4.311 -3.286 0.109) 5.421 2.842 ( 0.761 2.816 -2.812) 4.052 3.012 ( -4.926 -2.370 -5.202) 7.545 3.075 ( 6.563 2.916 -1.014) 7.253 3.089 ( 1.953 2.294 1.753) 3.485 3.251 ( 2.390 1.098 -0.444) 2.667 3.297 ( -3.235 1.920 1.723) 4.138 3.424 ( 5.481 3.141 -0.326) 6.326 3.495 ( -5.519 4.911 -2.124) 7.687 3.536 ( 0.558 4.927 2.616) 5.607 3.599 ( -5.875 7.782 5.807) 11.348 3.749 ( -0.466 1.328 1.660) 2.176 3.837 ( -4.620 -4.176 5.014) 7.995 3.876 ( -0.964 3.765 -0.392) 3.906 3.927 ( -0.605 -1.207 0.463) 1.427 4.079 ( 1.509 -4.892 -0.209) 5.124 4.127 ( -8.305 -6.925 5.888) 12.312 4.192 ( 4.522 -6.926 -2.494) 8.639 4.325 ( -1.146 -5.361 -2.533) 6.039 4.391 ( -5.628 4.770 7.011) 10.177 4.464 ( -1.442 1.728 1.697) 2.818 4.575 ( 2.074 -1.179 1.499) 2.818 4.641 ( 0.709 2.935 3.606) 4.704 4.733 ( 7.610 6.649 1.862) 10.276 4.826 ( 3.602 -2.214 0.310) 4.239 4.857 ( 3.502 0.791 -4.704) 5.917 4.964 ( -2.902 3.201 2.012) 4.766 5.077 ( 0.896 -5.008 -4.129) 6.552 5.238 ( -3.053 -3.475 -4.529) 6.474 5.342 ( 0.749 -1.623 2.664) 3.208 5.419 ( -0.248 -1.066 1.106) 1.556 5.464 ( 2.222 2.052 -0.530) 3.070 5.569 ( -0.726 -1.841 -1.389) 2.417 5.613 ( 0.271 0.283 4.563) 4.580 5.651 ( 4.434 -2.408 1.962) 5.414 5.652 ( 3.500 -1.208 3.846) 5.338 5.726 ( 0.943 -0.280 3.727) 3.854 5.846 ( -1.929 6.280 -1.807) 6.813 5.905 ( 3.636 0.640 -5.354) 6.503 5.988 ( -2.901 3.101 -3.471) 5.485 6.024 ( -0.225 -1.162 -4.080) 4.249 6.084 ( -0.075 1.105 -0.657) 1.288 6.203 ( 3.374 -3.354 -4.075) 6.264 6.287 ( -1.912 -3.795 0.495) 4.278 6.354 ( -0.698 -3.333 0.351) 3.424 6.383 ( 4.397 2.521 -0.127) 5.071 6.459 ( 0.270 -1.085 -0.995) 1.497 6.683 ( 1.128 3.425 3.066) 4.733 6.827 ( 2.795 -3.514 1.101) 4.623 6.987 ( 2.906 3.164 -1.389) 4.516 7.047 ( 1.166 0.138 -1.003) 1.544 7.540 ( -0.356 0.977 9.167) 9.226 7.621 ( 0.722 -3.045 7.293) 7.936 7.696 ( 2.129 1.645 -0.439) 2.726 7.780 ( 1.602 -1.223 -4.792) 5.198 7.950 ( 5.063 -1.339 1.572) 5.468 8.093 ( 5.763 -7.737 -3.297) 10.196 8.253 ( 0.028 2.784 -0.129) 2.787 8.296 ( 3.956 2.588 4.867) 6.785 8.398 ( 2.396 1.840 -4.947) 5.796 8.465 ( 3.264 0.135 1.771) 3.716 8.516 ( 8.694 -0.851 2.179) 9.003 8.585 ( 1.035 -3.907 2.101) 4.555 8.741 ( 2.803 3.830 3.692) 6.013 8.802 ( 0.481 0.067 4.214) 4.241 8.839 ( -0.399 2.971 -1.412) 3.314 9.051 ( -1.559 -3.960 -1.543) 4.527 9.133 ( 1.765 -2.273 0.300) 2.894 9.173 ( -1.246 -2.165 -0.735) 2.604 9.344 ( 0.570 2.580 -1.020) 2.832 9.360 ( -1.044 0.819 -3.696) 3.927 9.433 ( 3.167 -1.743 -0.046) 3.615 9.548 ( 3.497 -4.223 -0.097) 5.484 9.611 ( -1.036 0.835 -0.533) 1.433 9.672 ( 0.635 -2.025 -1.860) 2.822 9.818 ( -4.058 2.801 -1.959) 5.306 9.854 ( -1.852 3.985 -1.107) 4.532 9.945 ( -1.566 0.337 1.825) 2.428 9.989 ( -3.080 1.419 4.128) 5.342 10.137 ( -2.888 3.294 2.876) 5.240 10.247 ( -0.158 3.311 2.108) 3.928 10.253 ( -0.291 0.399 -3.575) 3.609 10.319 ( -1.405 1.328 0.823) 2.101 10.414 ( -1.726 -1.930 -0.600) 2.657 10.481 ( 0.911 -3.567 1.988) 4.184 10.549 ( -0.847 -0.566 2.690) 2.876 10.590 ( -1.905 -2.374 -2.497) 3.937 10.615 ( -2.069 4.260 -1.754) 5.050 10.759 ( 2.491 2.812 -3.961) 5.460 10.827 ( -1.615 0.273 2.723) 3.177 10.869 ( -0.135 -3.085 -2.187) 3.784 10.890 ( 5.719 3.887 0.298) 6.921 11.011 ( -2.535 2.346 -2.410) 4.212 11.147 ( -0.446 4.565 -2.759) 5.352 11.354 ( -4.677 -3.889 -7.089) 9.341 11.473 ( -2.530 6.449 1.247) 7.039 11.567 ( -2.753 3.837 -3.769) 6.042 11.937 ( 6.897 -2.574 -0.055) 7.362 12.037 ( -8.747 4.581 4.936) 11.039 12.491 ( 0.754 -7.115 2.159) 7.473 12.666 ( 0.895 0.424 -5.494) 5.583 12.955 ( -7.260 -13.956 9.114) 18.181 13.101 ( 8.735 -14.292 -2.822) 16.986 13.451 ( -7.490 4.641 3.310) 9.412 13.573 ( -14.106 -0.133 7.558) 16.004 13.875 ( 2.715 7.099 5.650) 9.471 14.100 ( 5.292 -5.753 -4.996) 9.277 14.332 ( -0.254 1.855 3.490) 3.960 14.339 ( -0.534 1.576 3.209) 3.615 14.520 ( -0.771 5.277 -5.983) 8.015 14.603 ( -0.956 1.988 -10.155) 10.392 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 5.170 0.818 -8.786) 10.227 1.406 ( 5.901 -3.440 -2.774) 7.372 1.544 ( 4.433 0.828 -11.019) 11.906 1.665 ( -5.792 -2.919 -16.452) 17.684 2.184 ( -12.323 2.781 1.744) 12.753 2.320 ( -6.020 -3.592 2.328) 7.386 2.465 ( 10.388 3.974 -4.356) 11.945 2.603 ( -1.694 -2.695 -4.190) 5.262 2.706 ( 1.442 -1.354 -0.990) 2.212 2.744 ( -5.339 -3.844 -1.195) 6.687 2.864 ( 4.228 -0.492 -1.130) 4.404 3.015 ( 4.349 -0.052 -7.538) 8.703 3.080 ( -4.416 5.309 0.606) 6.932 3.112 ( -4.223 0.878 -2.666) 5.071 3.265 ( -2.549 3.525 -0.368) 4.366 3.322 ( 7.221 5.709 4.666) 10.320 3.380 ( 2.677 4.451 0.180) 5.197 3.434 ( -0.537 3.582 -2.459) 4.378 3.595 ( 2.826 -1.194 2.973) 4.272 3.634 ( -9.199 -3.419 10.490) 14.365 3.724 ( 6.833 1.823 -1.686) 7.270 3.766 ( -1.777 -1.682 0.527) 2.503 3.840 ( -1.079 -0.490 2.265) 2.556 3.936 ( 2.412 1.943 -0.747) 3.186 4.046 ( -0.398 -0.648 5.577) 5.628 4.063 ( 1.025 0.420 -1.531) 1.889 4.242 ( -2.080 -4.197 -0.379) 4.700 4.282 ( -1.687 2.712 5.948) 6.751 4.345 ( -1.747 -2.137 0.979) 2.928 4.421 ( -1.883 0.685 5.933) 6.262 4.593 ( 0.146 -1.220 -1.111) 1.657 4.641 ( 2.919 -2.011 3.112) 4.717 4.856 ( 3.968 0.287 -3.680) 5.420 4.897 ( 0.999 0.046 1.602) 1.889 4.959 ( 4.227 1.015 -5.628) 7.111 4.970 ( 2.742 2.424 3.171) 4.842 5.095 ( -1.142 -5.365 -5.555) 7.807 5.170 ( -1.046 -5.982 -0.778) 6.122 5.348 ( -0.770 1.953 -1.378) 2.511 5.386 ( -1.759 2.344 2.298) 3.724 5.492 ( -1.959 0.227 2.402) 3.107 5.506 ( -3.755 -1.727 -2.343) 4.751 5.588 ( -3.227 -1.184 2.975) 4.546 5.690 ( 0.993 1.714 2.113) 2.896 5.693 ( -0.425 -0.728 5.255) 5.322 5.737 ( -0.103 -0.828 1.486) 1.704 5.802 ( -0.210 6.967 -0.785) 7.014 5.947 ( -1.751 0.869 -1.040) 2.214 5.952 ( 0.600 0.357 -5.214) 5.260 6.005 ( -1.698 -1.517 -5.387) 5.849 6.067 ( -1.571 1.806 -1.401) 2.773 6.207 ( -3.383 -5.082 -2.070) 6.447 6.269 ( 1.161 -3.643 0.443) 3.849 6.323 ( -2.531 -1.350 -0.497) 2.911 6.429 ( -2.952 -0.592 -1.415) 3.327 6.446 ( 1.614 0.953 -0.074) 1.876 6.690 ( -0.546 3.929 3.837) 5.519 6.848 ( -0.954 -3.092 0.573) 3.286 6.981 ( -3.302 2.446 -0.433) 4.132 7.015 ( -4.178 0.397 -1.163) 4.355 7.493 ( -4.161 0.757 7.713) 8.796 7.573 ( -4.823 -2.324 9.086) 10.547 7.726 ( 0.344 1.734 -0.728) 1.912 7.812 ( 1.976 -0.375 -2.405) 3.136 7.906 ( -8.239 0.056 -0.338) 8.246 8.077 ( -6.254 -6.993 -1.830) 9.559 8.217 ( -3.631 1.149 3.762) 5.353 8.292 ( -2.414 -0.219 3.716) 4.437 8.368 ( -6.160 1.016 -4.241) 7.548 8.508 ( -1.022 -0.059 -1.409) 1.742 8.575 ( -0.780 -2.977 0.568) 3.130 8.646 ( -2.806 -4.378 2.710) 5.864 8.788 ( 2.030 0.937 3.970) 4.556 8.824 ( 2.317 0.389 3.513) 4.226 8.864 ( 2.361 4.227 -2.091) 5.274 9.011 ( -0.639 -1.865 -5.152) 5.517 9.148 ( -0.490 -0.468 -0.442) 0.809 9.185 ( 0.957 -2.900 -0.725) 3.138 9.242 ( -3.621 5.091 0.485) 6.266 9.399 ( 2.580 0.954 -1.306) 3.045 9.451 ( -1.658 0.314 -0.180) 1.697 9.560 ( 0.145 0.572 -0.327) 0.675 9.611 ( -2.431 -4.307 -1.624) 5.206 9.696 ( -2.725 -0.461 -3.249) 4.265 9.801 ( 2.423 4.206 0.841) 4.927 9.817 ( 1.411 -0.174 0.120) 1.426 9.895 ( -0.456 -1.179 4.598) 4.769 9.951 ( 0.121 -2.847 2.359) 3.699 10.095 ( -2.380 5.411 1.147) 6.021 10.218 ( -2.210 4.815 -1.460) 5.496 10.275 ( 2.779 3.105 4.816) 6.369 10.316 ( 0.872 -1.435 -0.048) 1.680 10.423 ( 1.874 -0.082 -1.946) 2.703 10.507 ( 1.710 -1.752 2.276) 3.342 10.537 ( 0.468 -1.315 0.097) 1.399 10.602 ( 0.445 2.793 -2.872) 4.031 10.636 ( 4.768 -2.784 -0.320) 5.531 10.753 ( -0.850 4.655 0.317) 4.742 10.828 ( 3.135 1.702 -0.479) 3.599 10.879 ( 0.511 -4.855 -2.860) 5.658 10.957 ( -2.007 4.299 -1.174) 4.888 11.050 ( 2.821 1.608 -0.733) 3.329 11.183 ( 7.168 6.339 -4.971) 10.783 11.242 ( -4.835 -2.615 -7.936) 9.654 11.468 ( 1.298 3.269 1.452) 3.805 11.568 ( 2.803 5.524 -1.694) 6.423 11.878 ( -2.876 0.180 1.309) 3.165 12.202 ( 14.489 -7.066 -0.754) 16.138 12.469 ( -1.731 -3.790 3.683) 5.561 12.644 ( -3.963 3.233 -6.032) 7.909 12.733 ( -10.244 -8.777 9.927) 16.749 13.250 ( -8.988 -12.009 2.111) 15.148 13.365 ( -1.614 -1.513 6.132) 6.519 13.441 ( 12.776 -2.872 6.804) 14.757 13.952 ( 5.245 8.449 -0.659) 9.967 14.195 ( 3.583 -5.388 -1.065) 6.558 14.347 ( 1.641 1.828 3.144) 3.990 14.358 ( 1.656 0.895 3.762) 4.206 14.518 ( 1.101 6.145 -6.453) 8.979 14.636 ( 4.340 1.951 -12.680) 13.544 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -7.628 0.632 -6.330) 9.933 1.456 ( 3.644 -0.915 -11.028) 11.651 1.675 ( 9.112 1.850 -1.596) 9.434 1.743 ( 12.221 -0.485 -4.665) 13.090 2.001 ( -6.694 1.389 -2.762) 7.373 2.114 ( -7.046 -2.996 7.927) 11.021 2.477 ( -8.991 -2.940 -3.377) 10.044 2.552 ( -2.499 -3.751 -3.394) 5.642 2.674 ( -7.268 7.275 -4.903) 11.393 2.787 ( 0.459 5.012 -5.816) 7.691 2.807 ( 4.721 -1.568 -6.544) 8.220 3.009 ( -2.787 2.544 -4.387) 5.787 3.066 ( 0.877 3.035 -4.830) 5.772 3.116 ( 0.827 -3.275 -4.559) 5.674 3.260 ( -1.040 -0.945 4.247) 4.473 3.346 ( -2.071 0.055 1.649) 2.648 3.401 ( -2.208 5.324 -1.250) 5.898 3.461 ( -0.337 -4.608 4.513) 6.459 3.555 ( 4.074 6.586 1.251) 7.845 3.594 ( -4.052 -0.309 1.585) 4.362 3.683 ( -2.008 -8.103 -2.174) 8.626 3.812 ( 3.236 6.120 4.716) 8.377 3.909 ( 4.115 -0.994 6.773) 7.987 4.012 ( -0.321 0.845 -0.137) 0.914 4.030 ( 2.044 -2.679 6.681) 7.483 4.122 ( 1.153 3.349 1.347) 3.789 4.210 ( -3.475 -1.667 4.125) 5.646 4.252 ( 1.404 -6.140 3.081) 7.011 4.325 ( -1.448 2.482 5.039) 5.801 4.380 ( 2.758 5.339 -0.451) 6.026 4.598 ( 1.492 -4.304 -1.539) 4.808 4.769 ( 3.420 -3.858 -0.836) 5.223 4.867 ( 1.163 2.356 1.959) 3.277 4.914 ( -0.532 4.112 -1.973) 4.592 4.961 ( -2.287 -1.616 -7.107) 7.639 5.039 ( 3.710 -1.703 1.383) 4.311 5.081 ( 1.305 -2.092 -5.042) 5.613 5.164 ( -0.808 -1.944 0.839) 2.266 5.296 ( -7.270 -0.211 -0.275) 7.278 5.331 ( -2.658 -2.068 1.213) 3.579 5.392 ( -2.034 0.723 -0.931) 2.351 5.459 ( -3.617 -1.258 2.270) 4.452 5.513 ( -2.986 -1.346 -1.409) 3.566 5.650 ( -2.423 -3.059 3.319) 5.123 5.677 ( -3.683 1.069 -0.603) 3.882 5.716 ( -2.966 0.101 1.555) 3.350 5.854 ( 0.733 4.644 1.841) 5.049 5.864 ( -3.177 3.201 1.628) 4.795 5.934 ( -2.137 0.279 -1.796) 2.805 5.952 ( -2.307 -1.335 -6.087) 6.645 6.044 ( -0.423 4.494 -2.588) 5.203 6.141 ( -2.547 -2.124 -0.706) 3.391 6.247 ( -4.642 2.003 -1.504) 5.275 6.267 ( -1.766 -3.239 -1.006) 3.824 6.356 ( -3.699 -0.678 -0.658) 3.818 6.461 ( -0.204 -2.918 -1.665) 3.365 6.646 ( -4.127 3.331 3.175) 6.181 6.768 ( -7.222 -1.165 -1.141) 7.404 6.864 ( -7.896 0.908 1.545) 8.096 6.884 ( -7.917 0.308 -0.780) 7.961 7.382 ( -6.215 -0.502 7.057) 9.417 7.454 ( -6.283 -2.001 11.629) 13.368 7.685 ( -6.365 1.166 0.989) 6.546 7.734 ( -3.604 3.275 -3.131) 5.789 7.853 ( 0.344 0.545 0.296) 0.709 7.931 ( -5.905 -6.237 -1.778) 8.771 8.085 ( -8.187 -2.131 2.354) 8.782 8.188 ( -9.702 -1.563 -1.374) 9.922 8.219 ( -5.708 4.276 -1.037) 7.207 8.410 ( -6.394 2.438 0.869) 6.898 8.500 ( -4.208 -5.191 -2.123) 7.011 8.583 ( -1.864 -2.902 -0.455) 3.479 8.812 ( -1.435 -0.276 4.573) 4.801 8.857 ( -2.409 3.047 -2.204) 4.466 8.902 ( 4.791 -1.378 0.867) 5.060 8.966 ( -3.004 1.402 -1.770) 3.758 9.102 ( -3.614 1.357 -1.404) 4.107 9.151 ( -2.828 2.096 -2.327) 4.220 9.230 ( -0.888 -0.293 0.821) 1.244 9.410 ( -3.268 1.520 -0.911) 3.717 9.444 ( -0.900 -1.814 -0.820) 2.185 9.517 ( -2.302 2.337 5.312) 6.243 9.543 ( -1.857 -3.772 -0.727) 4.267 9.632 ( -2.219 -1.583 -3.822) 4.694 9.862 ( 5.020 0.974 -0.158) 5.116 9.904 ( 4.037 4.732 5.362) 8.212 9.930 ( 1.575 1.065 -0.540) 1.977 10.000 ( 1.461 1.072 -1.100) 2.120 10.053 ( 1.748 -0.464 1.970) 2.675 10.223 ( 3.632 -0.389 -1.214) 3.849 10.323 ( 1.764 -1.467 2.542) 3.424 10.350 ( 1.784 -0.528 1.567) 2.433 10.472 ( 3.696 -1.184 0.453) 3.907 10.547 ( -0.927 1.106 -1.397) 2.009 10.562 ( 2.710 -2.699 3.414) 5.127 10.623 ( 1.328 0.568 -1.832) 2.333 10.716 ( 3.003 -0.958 1.939) 3.701 10.759 ( 0.986 4.688 1.164) 4.930 10.866 ( 0.081 -1.879 -8.314) 8.524 10.933 ( 3.907 2.187 -1.389) 4.688 10.960 ( 2.698 1.421 1.247) 3.295 11.065 ( 1.923 -2.988 4.282) 5.564 11.150 ( -3.361 -0.849 -4.880) 5.986 11.372 ( 6.964 -0.699 -8.419) 10.949 11.501 ( 2.967 2.924 1.130) 4.316 11.658 ( 5.037 6.527 -0.997) 8.305 11.908 ( 4.782 2.386 -1.742) 5.621 12.373 ( 0.463 4.337 -1.769) 4.707 12.503 ( -7.754 -0.704 -0.084) 7.786 12.540 ( 2.904 -6.650 1.824) 7.482 12.613 ( 1.959 -4.264 1.626) 4.966 13.010 ( -11.570 -5.714 6.236) 14.332 13.322 ( -2.105 5.704 8.887) 10.768 13.775 ( 15.344 -12.568 2.490) 19.990 14.070 ( 4.997 3.653 -0.873) 6.251 14.238 ( 0.170 -4.201 -0.878) 4.295 14.398 ( 3.185 1.091 5.227) 6.217 14.407 ( 4.268 0.144 4.034) 5.874 14.636 ( 11.704 7.604 -5.996) 15.191 14.774 ( 10.017 1.556 -12.298) 15.937 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -10.068 10.862 6.303) 16.095 1.551 ( 2.570 -3.338 -10.455) 11.271 1.673 ( -13.201 8.754 12.090) 19.926 1.857 ( 7.350 -3.884 3.096) 8.871 2.041 ( 7.227 -5.928 -2.726) 9.736 2.178 ( 6.788 -5.485 1.023) 8.787 2.401 ( -4.080 4.521 -10.790) 12.390 2.455 ( -1.415 3.692 -7.838) 8.778 2.484 ( -3.761 -4.700 -6.290) 8.706 2.774 ( -1.949 -0.292 -3.916) 4.384 2.878 ( -2.033 3.457 -7.960) 8.913 2.945 ( -5.567 1.498 4.058) 7.051 3.028 ( 1.296 -0.794 -2.383) 2.827 3.075 ( -8.358 2.930 -5.055) 10.198 3.234 ( -0.456 0.593 3.703) 3.778 3.310 ( 1.174 4.328 -1.227) 4.649 3.342 ( -0.707 4.775 -0.648) 4.870 3.427 ( -5.613 0.603 -1.198) 5.771 3.536 ( -1.376 -1.738 0.388) 2.250 3.612 ( 0.794 2.639 0.388) 2.783 3.716 ( 4.996 -3.784 3.740) 7.299 3.817 ( -0.419 0.380 -0.017) 0.566 3.963 ( -0.532 -2.687 2.886) 3.980 3.983 ( -1.113 -2.257 1.106) 2.749 4.056 ( 0.826 -5.475 7.257) 9.128 4.138 ( -4.965 -4.250 5.499) 8.541 4.193 ( -0.595 -1.418 1.940) 2.476 4.245 ( 4.969 1.026 1.557) 5.307 4.308 ( -0.170 2.668 -0.319) 2.693 4.456 ( 2.515 -0.886 -0.445) 2.704 4.621 ( -1.874 -5.130 -0.138) 5.463 4.730 ( -2.800 -4.726 -4.784) 7.284 4.865 ( -2.480 5.674 -1.717) 6.426 4.917 ( -1.135 5.682 -7.126) 9.185 4.968 ( 0.825 1.664 1.786) 2.577 5.041 ( -7.231 -1.720 2.155) 7.739 5.077 ( -3.269 -1.460 -5.953) 6.947 5.124 ( 0.773 1.572 4.165) 4.519 5.237 ( 3.790 -2.333 2.592) 5.150 5.312 ( 1.125 -1.588 3.018) 3.591 5.340 ( -7.365 2.562 0.674) 7.827 5.374 ( -0.318 -1.112 -0.388) 1.220 5.447 ( -4.731 -4.127 -5.256) 8.187 5.554 ( -5.524 -0.860 -4.034) 6.894 5.626 ( -2.736 -1.340 1.806) 3.541 5.639 ( 0.850 -4.470 5.155) 6.876 5.756 ( -4.560 4.502 4.271) 7.701 5.877 ( -3.803 1.529 1.480) 4.358 5.883 ( -1.321 2.178 -2.208) 3.371 5.931 ( 0.086 0.183 -3.162) 3.168 6.045 ( 0.335 3.537 -1.921) 4.038 6.097 ( -1.432 4.077 -2.943) 5.228 6.162 ( -3.075 1.645 -3.149) 4.699 6.196 ( -4.502 -2.787 -0.146) 5.297 6.273 ( -4.693 0.150 0.688) 4.746 6.404 ( -5.589 -1.204 -1.676) 5.958 6.554 ( -4.485 -1.640 1.389) 4.974 6.572 ( -10.319 -0.610 -0.034) 10.337 6.698 ( -6.403 1.491 -0.766) 6.619 6.711 ( -8.230 1.162 -0.692) 8.340 7.279 ( -3.677 -1.063 7.669) 8.571 7.349 ( -3.765 -1.945 11.388) 12.151 7.572 ( -3.514 1.409 -0.241) 3.793 7.684 ( -2.407 2.009 -0.624) 3.197 7.787 ( -4.719 -2.755 -2.670) 6.082 7.876 ( -2.072 2.975 -1.173) 3.810 7.926 ( -7.328 -0.932 -2.537) 7.810 7.997 ( -6.869 -1.427 -1.628) 7.202 8.098 ( -5.358 4.920 -2.797) 7.793 8.314 ( -3.526 -0.060 1.320) 3.765 8.436 ( -1.774 -4.069 1.004) 4.551 8.574 ( 1.238 -2.280 1.483) 2.988 8.728 ( -5.216 2.426 1.812) 6.031 8.811 ( -1.596 1.330 -4.000) 4.507 8.926 ( -0.771 2.184 -0.436) 2.357 8.989 ( 2.906 -3.562 -2.599) 5.281 9.024 ( -1.868 0.597 -1.096) 2.246 9.091 ( -3.018 1.864 0.717) 3.619 9.232 ( 1.974 0.746 2.566) 3.323 9.326 ( -4.371 -1.903 0.010) 4.767 9.357 ( -4.408 -1.242 3.344) 5.670 9.489 ( -5.007 -4.379 -2.735) 7.192 9.515 ( -0.278 3.144 3.035) 4.378 9.597 ( -1.015 -0.969 -1.382) 1.970 9.877 ( -1.739 2.394 -0.994) 3.122 9.931 ( -0.815 1.733 0.148) 1.921 10.031 ( 6.463 0.535 1.181) 6.592 10.060 ( 5.441 -1.037 0.353) 5.550 10.152 ( 4.407 -0.279 -0.268) 4.424 10.309 ( 2.871 -2.106 -0.483) 3.593 10.337 ( -0.375 0.669 1.844) 1.997 10.390 ( 2.342 0.383 3.149) 3.943 10.513 ( -1.094 -1.822 -0.706) 2.239 10.571 ( 4.854 -2.634 1.726) 5.786 10.628 ( 2.028 -2.177 3.094) 4.292 10.638 ( 2.724 -2.633 1.071) 3.937 10.740 ( -1.028 -0.850 0.797) 1.554 10.785 ( 2.378 1.935 1.670) 3.491 10.883 ( 1.285 2.091 -8.141) 8.503 10.959 ( -1.455 4.096 -2.309) 4.922 11.040 ( -3.099 -2.886 -3.249) 5.338 11.060 ( 7.050 1.144 3.550) 7.976 11.222 ( 7.468 -4.046 6.899) 10.942 11.386 ( -2.642 -11.824 -6.683) 13.836 11.643 ( 8.043 7.678 -1.735) 11.254 11.741 ( 2.769 6.893 -0.545) 7.448 12.008 ( 3.289 3.428 -2.389) 5.317 12.254 ( -11.550 9.287 1.788) 14.928 12.364 ( -5.684 -0.006 -3.711) 6.788 12.578 ( 3.062 -1.172 -3.995) 5.169 12.612 ( -3.763 -3.645 -4.106) 6.656 12.811 ( -9.476 -8.547 9.904) 16.154 13.380 ( 8.359 12.849 6.540) 16.666 13.987 ( 4.856 -11.025 -0.063) 12.047 14.134 ( 1.446 0.524 0.245) 1.557 14.209 ( -1.906 -1.906 -2.476) 3.660 14.483 ( 4.916 0.090 6.411) 8.079 14.559 ( 9.402 -5.170 6.030) 12.308 14.942 ( 16.514 8.588 -4.019) 19.042 15.082 ( 19.765 0.980 -7.467) 21.152 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -3.903 7.502 17.104) 19.080 1.439 ( -5.818 14.285 21.223) 26.236 1.598 ( 0.539 -14.899 -7.653) 16.758 1.960 ( 0.335 -3.486 6.745) 7.600 2.088 ( -7.180 10.491 1.778) 12.836 2.168 ( 1.121 -1.079 -3.860) 4.161 2.385 ( 3.197 -11.110 1.190) 11.622 2.416 ( 3.449 7.484 -16.171) 18.150 2.619 ( 5.571 -0.273 -8.215) 9.930 2.647 ( -8.845 -7.265 -6.709) 13.267 2.788 ( -10.750 6.316 9.292) 15.550 2.841 ( -1.762 2.584 -12.771) 13.148 2.915 ( 1.215 8.319 -1.330) 8.511 3.105 ( 4.637 -5.911 2.902) 8.054 3.216 ( -4.405 5.962 1.611) 7.586 3.254 ( -3.731 2.687 -8.194) 9.396 3.387 ( 4.437 -6.221 -4.941) 9.100 3.444 ( 2.737 6.379 0.605) 6.967 3.502 ( 0.751 1.307 0.957) 1.785 3.606 ( -0.187 -0.767 3.047) 3.147 3.787 ( 0.371 1.469 -3.305) 3.636 3.818 ( -4.391 -2.422 -0.574) 5.047 3.895 ( -4.951 0.511 2.316) 5.490 3.953 ( 3.737 -2.410 -0.103) 4.448 4.068 ( 0.486 -3.419 3.261) 4.750 4.114 ( 0.033 -5.950 1.097) 6.050 4.142 ( -0.423 -4.324 8.640) 9.671 4.262 ( -2.351 -3.924 -5.446) 7.113 4.374 ( 4.051 3.166 0.518) 5.167 4.510 ( 1.857 -1.176 -3.075) 3.780 4.563 ( -2.561 -5.351 0.204) 5.935 4.670 ( -3.001 -4.672 -0.738) 5.601 4.762 ( -6.873 2.152 -2.214) 7.535 4.820 ( -5.499 3.676 -2.751) 7.164 4.868 ( -5.674 -1.180 0.891) 5.863 4.954 ( -3.115 -1.174 1.358) 3.595 5.043 ( -3.040 1.762 -0.721) 3.587 5.119 ( -1.919 4.063 0.246) 4.500 5.199 ( -1.803 0.242 2.287) 2.923 5.291 ( -0.336 0.344 -0.353) 0.597 5.294 ( -5.840 -8.126 0.145) 10.008 5.359 ( 1.513 -0.176 -1.580) 2.195 5.393 ( -0.828 1.419 -0.994) 1.920 5.548 ( 4.383 2.256 -0.194) 4.934 5.607 ( -0.631 -1.475 3.177) 3.559 5.644 ( -1.398 -1.785 3.989) 4.588 5.706 ( -0.658 5.174 3.135) 6.085 5.779 ( -3.962 3.041 -1.276) 5.155 5.816 ( -4.863 1.772 0.091) 5.176 5.911 ( -1.445 0.494 -2.477) 2.909 6.043 ( -3.907 -0.321 2.234) 4.512 6.069 ( 1.141 -0.320 -3.220) 3.431 6.113 ( -2.563 2.310 -4.791) 5.904 6.176 ( 3.585 1.907 0.568) 4.100 6.193 ( -1.777 -0.636 0.896) 2.089 6.292 ( -4.153 0.685 -0.221) 4.215 6.397 ( -5.485 -0.117 -1.119) 5.599 6.438 ( -5.771 -0.375 -0.302) 5.791 6.583 ( -3.854 1.497 -1.458) 4.384 6.663 ( 2.166 -2.304 -3.931) 5.045 7.226 ( -1.878 0.194 9.163) 9.355 7.300 ( -1.643 -1.705 9.320) 9.616 7.534 ( -0.586 0.009 0.112) 0.597 7.635 ( -2.365 -2.898 -0.088) 3.742 7.698 ( -3.678 3.922 -2.976) 6.146 7.780 ( -4.784 2.166 -4.317) 6.798 7.825 ( -3.526 5.763 -2.486) 7.198 7.929 ( -0.738 -1.661 -3.017) 3.522 8.016 ( -2.099 4.039 -1.629) 4.835 8.245 ( -3.262 -0.821 -3.366) 4.759 8.419 ( -0.277 -2.724 2.145) 3.478 8.600 ( -1.389 3.225 0.171) 3.516 8.646 ( -1.073 -4.302 4.413) 6.256 8.809 ( 1.221 0.103 -1.921) 2.279 8.918 ( -1.357 -0.764 -2.590) 3.022 9.017 ( 1.590 -1.165 -2.484) 3.171 9.047 ( 1.725 -2.206 2.833) 3.983 9.098 ( 6.058 -0.056 0.088) 6.059 9.230 ( -5.026 -2.799 -1.285) 5.894 9.282 ( -0.246 0.298 2.096) 2.131 9.303 ( -0.030 -0.025 1.930) 1.931 9.346 ( -6.603 -2.718 4.130) 8.249 9.501 ( -0.625 4.155 0.346) 4.216 9.573 ( -1.664 0.460 -0.186) 1.737 9.851 ( -0.722 2.286 -1.635) 2.902 9.905 ( -2.020 0.398 -2.646) 3.352 10.137 ( 3.186 -1.878 -0.023) 3.699 10.141 ( 1.195 -2.468 -0.093) 2.744 10.206 ( 2.126 0.615 0.792) 2.351 10.297 ( -0.871 -0.330 2.555) 2.719 10.353 ( 0.388 0.412 0.369) 0.676 10.456 ( 4.129 0.972 5.064) 6.606 10.511 ( 0.099 -4.157 -0.164) 4.161 10.619 ( -0.420 -0.561 1.477) 1.635 10.664 ( 3.243 -3.079 2.077) 4.931 10.717 ( 0.067 -1.417 1.032) 1.754 10.763 ( 5.333 -3.713 2.615) 7.005 10.820 ( 0.404 -0.678 3.604) 3.689 10.910 ( 2.591 2.912 -5.447) 6.698 10.941 ( 0.556 2.160 -3.368) 4.040 10.983 ( -2.562 -0.553 -3.001) 3.984 11.201 ( 6.390 0.912 3.157) 7.186 11.292 ( -3.627 -9.939 -2.761) 10.935 11.385 ( 5.057 -6.607 4.393) 9.409 11.715 ( -2.540 6.249 -2.925) 7.352 11.808 ( 4.109 6.566 -0.701) 7.777 11.954 ( -6.735 0.782 0.814) 6.829 12.032 ( -10.487 -0.479 -3.968) 11.223 12.267 ( 0.679 5.102 -0.472) 5.169 12.481 ( -10.578 -1.893 6.864) 12.751 12.635 ( 2.199 4.758 -5.801) 7.818 12.723 ( 2.693 0.283 -11.476) 11.791 13.569 ( 7.972 8.656 8.287) 14.393 13.996 ( -2.973 -4.619 -1.395) 5.667 14.146 ( 0.066 -1.475 1.021) 1.795 14.189 ( -0.027 -1.367 -1.570) 2.082 14.586 ( 4.319 -0.337 8.106) 9.191 14.736 ( 6.785 -9.283 5.556) 12.770 15.261 ( 12.783 10.623 -0.497) 16.629 15.483 ( 16.752 -0.986 -7.428) 18.352 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 1.609 -18.752 4.775) 19.417 1.177 ( 1.609 18.752 4.775) 19.417 1.718 ( -2.746 -18.364 19.132) 26.661 1.718 ( -2.746 18.364 19.132) 26.661 2.232 ( -3.445 -12.048 -8.472) 15.126 2.232 ( -3.445 12.048 -8.472) 15.126 2.346 ( 6.915 -3.905 -7.189) 10.712 2.346 ( 6.915 3.905 -7.189) 10.712 2.676 ( 2.067 -8.820 -19.737) 21.717 2.676 ( 2.067 8.820 -19.737) 21.717 2.872 ( -3.828 -13.206 8.521) 16.176 2.872 ( -3.828 13.206 8.521) 16.176 2.964 ( -3.840 -5.268 6.352) 9.102 2.964 ( -3.840 5.268 6.352) 9.102 3.157 ( 2.017 -11.245 -3.912) 12.076 3.157 ( 2.017 11.245 -3.912) 12.076 3.450 ( 0.825 -7.621 -0.182) 7.668 3.450 ( 0.825 7.621 -0.182) 7.668 3.569 ( 0.048 -2.814 2.726) 3.918 3.569 ( 0.048 2.814 2.726) 3.918 3.811 ( -0.194 -8.151 -0.417) 8.164 3.811 ( -0.194 8.151 -0.417) 8.164 3.938 ( -1.076 -7.032 1.366) 7.244 3.938 ( -1.076 7.032 1.366) 7.244 4.065 ( -1.955 -7.318 -2.410) 7.949 4.065 ( -1.955 7.318 -2.410) 7.949 4.138 ( 7.787 -3.891 0.449) 8.717 4.138 ( 7.787 3.891 0.449) 8.717 4.424 ( -2.229 -2.238 -5.809) 6.612 4.424 ( -2.229 2.238 -5.809) 6.612 4.562 ( 2.241 -4.063 4.821) 6.692 4.562 ( 2.241 4.063 4.821) 6.692 4.719 ( -4.376 -3.140 -0.986) 5.476 4.719 ( -4.376 3.140 -0.986) 5.476 4.834 ( -1.428 -2.537 -1.626) 3.335 4.834 ( -1.428 2.537 -1.626) 3.335 5.042 ( -1.701 -6.286 2.739) 7.064 5.042 ( -1.701 6.286 2.739) 7.064 5.161 ( 0.088 -3.866 0.022) 3.867 5.161 ( 0.088 3.866 0.022) 3.867 5.339 ( 0.706 -1.037 -0.554) 1.371 5.339 ( 0.706 1.037 -0.554) 1.371 5.465 ( -0.016 -4.744 -1.871) 5.100 5.465 ( -0.016 4.744 -1.871) 5.100 5.657 ( 0.730 -0.550 3.863) 3.970 5.657 ( 0.730 0.550 3.863) 3.970 5.788 ( 1.348 -2.397 0.720) 2.843 5.788 ( 1.348 2.397 0.720) 2.843 5.864 ( 0.150 -6.940 -4.314) 8.173 5.864 ( 0.150 6.940 -4.314) 8.173 6.032 ( 1.046 -4.219 0.704) 4.403 6.032 ( 1.046 4.219 0.704) 4.403 6.125 ( -1.192 -3.279 -1.685) 3.875 6.125 ( -1.192 3.279 -1.685) 3.875 6.252 ( 1.221 -2.920 0.910) 3.294 6.252 ( 1.221 2.920 0.910) 3.294 6.362 ( -0.412 -1.247 -0.106) 1.318 6.362 ( -0.412 1.247 -0.106) 1.318 6.637 ( 1.929 -4.526 -5.900) 7.683 6.637 ( 1.929 4.526 -5.900) 7.683 7.231 ( -0.544 -2.268 9.022) 9.318 7.231 ( -0.544 2.268 9.022) 9.318 7.540 ( -0.116 -1.315 1.681) 2.137 7.540 ( -0.116 1.315 1.681) 2.137 7.729 ( -4.158 -2.853 -3.015) 5.875 7.729 ( -4.158 2.853 -3.015) 5.875 7.882 ( 2.068 -2.799 -5.504) 6.512 7.882 ( 2.068 2.799 -5.504) 6.512 8.148 ( 1.926 -4.546 1.610) 5.193 8.148 ( 1.926 4.546 1.610) 5.193 8.459 ( -0.982 -4.881 3.723) 6.217 8.459 ( -0.982 4.881 3.723) 6.217 8.681 ( -1.902 -6.909 -4.100) 8.256 8.681 ( -1.902 6.909 -4.100) 8.256 8.922 ( -0.238 -4.930 -3.024) 5.789 8.922 ( -0.238 4.930 -3.024) 5.789 9.111 ( -3.756 -1.116 4.739) 6.149 9.111 ( -3.756 1.116 4.739) 6.149 9.229 ( 4.608 -1.213 0.260) 4.772 9.229 ( 4.608 1.213 0.260) 4.772 9.330 ( -0.076 -0.443 4.662) 4.684 9.330 ( -0.076 0.443 4.662) 4.684 9.558 ( 0.353 -0.831 -1.512) 1.761 9.558 ( 0.353 0.831 -1.512) 1.761 9.852 ( -1.695 -0.934 -2.291) 2.999 9.852 ( -1.695 0.934 -2.291) 2.999 10.134 ( 1.231 -1.229 -1.059) 2.036 10.134 ( 1.231 1.229 -1.059) 2.036 10.264 ( 0.948 -1.641 1.300) 2.298 10.264 ( 0.948 1.641 1.300) 2.298 10.398 ( -0.669 -4.302 -0.662) 4.404 10.398 ( -0.669 4.302 -0.662) 4.404 10.586 ( 1.230 -3.179 0.805) 3.503 10.586 ( 1.230 3.179 0.805) 3.503 10.686 ( -0.420 -2.502 4.775) 5.407 10.686 ( -0.420 2.502 4.775) 5.407 10.792 ( 0.324 -0.900 3.481) 3.610 10.792 ( 0.324 0.900 3.481) 3.610 10.952 ( 0.113 -1.845 -2.400) 3.029 10.952 ( 0.113 1.845 -2.400) 3.029 11.057 ( -0.891 -5.118 -4.022) 6.570 11.057 ( -0.891 5.118 -4.022) 6.570 11.362 ( 3.208 -4.051 4.775) 7.036 11.362 ( 3.208 4.051 4.775) 7.036 11.744 ( -4.984 -5.806 -2.924) 8.191 11.744 ( -4.984 5.806 -2.924) 8.191 11.881 ( -0.610 -1.959 -0.482) 2.108 11.881 ( -0.610 1.959 -0.482) 2.108 12.406 ( 4.906 -3.598 1.267) 6.215 12.406 ( 4.906 3.598 1.267) 6.215 12.772 ( 1.412 -2.270 -12.930) 13.203 12.772 ( 1.412 2.270 -12.930) 13.203 13.831 ( -1.269 -7.095 6.976) 10.031 13.831 ( -1.269 7.095 6.976) 10.031 14.143 ( -0.449 -2.317 -0.825) 2.500 14.143 ( -0.449 2.317 -0.825) 2.500 14.663 ( -0.111 -3.900 8.557) 9.404 14.663 ( -0.111 3.900 8.557) 9.404 15.574 ( -1.313 -6.191 -5.165) 8.168 15.574 ( -1.313 6.191 -5.165) 8.168 ======================= Grid point 110 (62/84) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 8.584 -17.735 1.268) 19.744 1.300 ( 8.584 17.735 1.268) 19.744 1.669 ( -0.508 -16.400 17.276) 23.825 1.669 ( -0.508 16.400 17.276) 23.825 2.209 ( 0.285 -10.646 -6.896) 12.687 2.209 ( 0.285 10.646 -6.896) 12.687 2.486 ( 3.573 -1.459 -8.242) 9.101 2.486 ( 3.573 1.459 -8.242) 9.101 2.582 ( -7.908 -8.293 -14.852) 18.759 2.582 ( -7.908 8.293 -14.852) 18.759 2.821 ( 0.502 -6.357 -2.026) 6.691 2.821 ( 0.502 6.357 -2.026) 6.691 2.986 ( 4.206 -7.014 6.743) 10.600 2.986 ( 4.206 7.014 6.743) 10.600 3.235 ( 4.181 -2.155 3.478) 5.850 3.235 ( 4.181 2.155 3.478) 5.850 3.393 ( -3.252 -5.555 -0.252) 6.442 3.393 ( -3.252 5.555 -0.252) 6.442 3.621 ( 3.170 -4.578 1.302) 5.719 3.621 ( 3.170 4.578 1.302) 5.719 3.785 ( -2.681 -3.343 -1.061) 4.414 3.785 ( -2.681 3.343 -1.061) 4.414 3.907 ( -0.143 -6.225 2.341) 6.652 3.907 ( -0.143 6.225 2.341) 6.652 4.057 ( 0.908 -7.994 -1.515) 8.187 4.057 ( 0.908 7.994 -1.515) 8.187 4.307 ( 7.642 -2.026 0.198) 7.909 4.307 ( 7.642 2.026 0.198) 7.909 4.379 ( -2.312 -3.802 -0.311) 4.461 4.379 ( -2.312 3.802 -0.311) 4.461 4.604 ( -1.806 -1.247 -2.062) 3.011 4.604 ( -1.806 1.247 -2.062) 3.011 4.686 ( 4.398 -5.688 2.187) 7.515 4.686 ( 4.398 5.688 2.187) 7.515 4.855 ( 2.849 -2.633 -0.452) 3.906 4.855 ( 2.849 2.633 -0.452) 3.906 5.043 ( 1.708 -5.974 3.698) 7.231 5.043 ( 1.708 5.974 3.698) 7.231 5.200 ( 2.656 -3.132 0.062) 4.107 5.200 ( 2.656 3.132 0.062) 4.107 5.347 ( 0.924 -1.546 -2.270) 2.898 5.347 ( 0.924 1.546 -2.270) 2.898 5.505 ( 3.138 -1.774 0.071) 3.605 5.505 ( 3.138 1.774 0.071) 3.605 5.649 ( -1.374 -1.450 0.713) 2.121 5.649 ( -1.374 1.450 0.713) 2.121 5.836 ( 2.099 -2.469 -0.140) 3.244 5.836 ( 2.099 2.469 -0.140) 3.244 5.886 ( 2.411 -7.349 -3.398) 8.448 5.886 ( 2.411 7.349 -3.398) 8.448 6.061 ( 1.681 -3.040 -0.819) 3.569 6.061 ( 1.681 3.040 -0.819) 3.569 6.146 ( 1.803 -4.253 -1.236) 4.782 6.146 ( 1.803 4.253 -1.236) 4.782 6.278 ( 1.798 -1.147 -0.347) 2.160 6.278 ( 1.798 1.147 -0.347) 2.160 6.404 ( 4.957 -1.267 0.866) 5.189 6.404 ( 4.957 1.267 0.866) 5.189 6.673 ( 2.396 -2.854 -5.551) 6.686 6.673 ( 2.396 2.854 -5.551) 6.686 7.249 ( 2.223 -2.759 8.344) 9.065 7.249 ( 2.223 2.759 8.344) 9.065 7.553 ( 1.109 -1.846 2.036) 2.964 7.553 ( 1.109 1.846 2.036) 2.964 7.663 ( -0.809 -3.413 -0.425) 3.534 7.663 ( -0.809 3.413 -0.425) 3.534 7.952 ( 4.357 -2.168 -5.299) 7.195 7.952 ( 4.357 2.168 -5.299) 7.195 8.223 ( 5.132 -0.323 -0.711) 5.191 8.223 ( 5.132 0.323 -0.711) 5.191 8.446 ( 0.208 -1.456 2.422) 2.834 8.446 ( 0.208 1.456 2.422) 2.834 8.682 ( 1.455 -5.087 -0.488) 5.313 8.682 ( 1.455 5.087 -0.488) 5.313 8.911 ( -1.072 -3.783 -1.394) 4.172 8.911 ( -1.072 3.783 -1.394) 4.172 9.052 ( -1.197 -0.998 1.863) 2.429 9.052 ( -1.197 0.998 1.863) 2.429 9.261 ( -2.481 -4.100 6.258) 7.882 9.261 ( -2.481 4.100 6.258) 7.882 9.316 ( 0.965 -0.941 -2.153) 2.540 9.316 ( 0.965 0.941 -2.153) 2.540 9.613 ( 4.432 -2.661 -0.450) 5.189 9.613 ( 4.432 2.661 -0.450) 5.189 9.843 ( 0.714 -1.704 -1.037) 2.118 9.843 ( 0.714 1.704 -1.037) 2.118 10.151 ( -0.367 -1.468 -1.947) 2.466 10.151 ( -0.367 1.468 -1.947) 2.466 10.282 ( 0.398 -1.595 0.612) 1.755 10.282 ( 0.398 1.595 0.612) 1.755 10.375 ( -1.083 -3.002 -0.749) 3.278 10.375 ( -1.083 3.002 -0.749) 3.278 10.570 ( -2.664 -3.319 -0.072) 4.256 10.570 ( -2.664 3.319 -0.072) 4.256 10.656 ( -2.174 -3.218 4.451) 5.907 10.656 ( -2.174 3.218 4.451) 5.907 10.786 ( -0.873 -1.402 1.888) 2.508 10.786 ( -0.873 1.402 1.888) 2.508 10.935 ( -2.002 -4.127 -0.552) 4.620 10.935 ( -2.002 4.127 -0.552) 4.620 11.031 ( -1.051 -5.068 -2.458) 5.730 11.031 ( -1.051 5.068 -2.458) 5.730 11.406 ( 0.432 -5.184 0.671) 5.245 11.406 ( 0.432 5.184 0.671) 5.245 11.698 ( -1.549 -3.731 1.257) 4.231 11.698 ( -1.549 3.731 1.257) 4.231 11.921 ( 5.443 -4.041 -0.949) 6.845 11.921 ( 5.443 4.041 -0.949) 6.845 12.587 ( 11.047 -7.494 -2.009) 13.499 12.587 ( 11.047 7.494 -2.009) 13.499 12.765 ( -1.432 -3.488 -12.504) 13.060 12.765 ( -1.432 3.488 -12.504) 13.060 13.764 ( -4.889 -2.612 7.823) 9.588 13.764 ( -4.889 2.612 7.823) 9.588 14.130 ( -1.149 -3.146 -0.495) 3.386 14.130 ( -1.149 3.146 -0.495) 3.386 14.610 ( -4.720 -3.553 7.742) 9.738 14.610 ( -4.720 3.553 7.742) 9.738 15.369 ( -17.167 -4.958 -3.187) 18.150 15.369 ( -17.167 4.958 -3.187) 18.150 ======================= Grid point 112 (63/84) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 3.765 -17.720 -3.166) 18.390 1.433 ( 3.765 17.720 -3.166) 18.390 1.748 ( 4.627 -7.898 6.643) 11.310 1.748 ( 4.627 7.898 6.643) 11.310 2.168 ( -5.283 -6.057 -1.492) 8.175 2.168 ( -5.283 6.057 -1.492) 8.175 2.329 ( -3.885 -3.652 -5.630) 7.754 2.329 ( -3.885 3.652 -5.630) 7.754 2.650 ( 4.844 -3.809 -8.353) 10.380 2.650 ( 4.844 3.809 -8.353) 10.380 2.886 ( 4.162 -2.959 -8.289) 9.735 2.886 ( 4.162 2.959 -8.289) 9.735 3.002 ( -1.576 -5.192 -0.816) 5.487 3.002 ( -1.576 5.192 -0.816) 5.487 3.283 ( -1.631 -4.506 2.725) 5.513 3.283 ( -1.631 4.506 2.725) 5.513 3.415 ( 5.282 -7.756 1.563) 9.513 3.415 ( 5.282 7.756 1.563) 9.513 3.671 ( 1.625 -3.092 0.936) 3.616 3.671 ( 1.625 3.092 0.936) 3.616 3.737 ( 0.875 -7.450 0.837) 7.548 3.737 ( 0.875 7.450 0.837) 7.548 3.976 ( 5.064 -2.679 7.495) 9.434 3.976 ( 5.064 2.679 7.495) 9.434 4.064 ( -0.381 -7.815 2.142) 8.112 4.064 ( -0.381 7.815 2.142) 8.112 4.268 ( -6.853 -1.528 2.445) 7.435 4.268 ( -6.853 1.528 2.445) 7.435 4.456 ( 1.838 -3.951 -0.416) 4.377 4.456 ( 1.838 3.951 -0.416) 4.377 4.570 ( 2.606 -2.455 -4.206) 5.524 4.570 ( 2.606 2.455 -4.206) 5.524 4.774 ( 2.194 -6.039 4.001) 7.569 4.774 ( 2.194 6.039 4.001) 7.569 4.921 ( 1.042 -5.730 -0.674) 5.862 4.921 ( 1.042 5.730 -0.674) 5.862 5.120 ( 6.364 -3.610 0.991) 7.384 5.120 ( 6.364 3.610 0.991) 7.384 5.231 ( 0.379 -3.690 1.263) 3.919 5.231 ( 0.379 3.690 1.263) 3.919 5.389 ( 3.071 -3.894 -4.042) 6.398 5.389 ( 3.071 3.894 -4.042) 6.398 5.554 ( -0.946 -0.192 2.288) 2.484 5.554 ( -0.946 0.192 2.288) 2.484 5.621 ( 0.919 -0.684 -3.074) 3.281 5.621 ( 0.919 0.684 -3.074) 3.281 5.852 ( 0.779 -5.380 -0.226) 5.440 5.852 ( 0.779 5.380 -0.226) 5.440 5.948 ( 2.661 -4.262 -2.851) 5.777 5.948 ( 2.661 4.262 -2.851) 5.777 6.085 ( 1.267 -5.112 0.579) 5.299 6.085 ( 1.267 5.112 0.579) 5.299 6.207 ( 5.452 -3.243 -1.718) 6.572 6.207 ( 5.452 3.243 -1.718) 6.572 6.333 ( 1.879 -2.186 -2.516) 3.826 6.333 ( 1.879 2.186 -2.516) 3.826 6.545 ( 7.625 -1.403 1.625) 7.922 6.545 ( 7.625 1.403 1.625) 7.922 6.768 ( 7.198 -1.565 -2.369) 7.737 6.768 ( 7.198 1.565 -2.369) 7.737 7.331 ( 5.909 -2.653 7.055) 9.578 7.331 ( 5.909 2.653 7.055) 9.578 7.592 ( 3.136 -2.409 -0.787) 4.032 7.592 ( 3.136 2.409 -0.787) 4.032 7.712 ( 4.654 -2.705 3.848) 6.617 7.712 ( 4.654 2.705 3.848) 6.617 8.045 ( 4.990 -2.161 -4.517) 7.069 8.045 ( 4.990 2.161 -4.517) 7.069 8.341 ( 5.649 -2.760 -1.929) 6.576 8.341 ( 5.649 2.760 -1.929) 6.576 8.469 ( 1.517 -3.252 1.692) 3.968 8.469 ( 1.517 3.252 1.692) 3.968 8.710 ( 0.915 -3.305 -0.660) 3.492 8.710 ( 0.915 3.305 -0.660) 3.492 8.890 ( 0.021 -3.979 1.530) 4.263 8.890 ( 0.021 3.979 1.530) 4.263 9.082 ( 3.730 -4.495 -1.437) 6.015 9.082 ( 3.730 4.495 -1.437) 6.015 9.214 ( -0.948 -3.996 4.780) 6.302 9.214 ( -0.948 3.996 4.780) 6.302 9.349 ( 1.807 -1.655 -0.005) 2.451 9.349 ( 1.807 1.655 -0.005) 2.451 9.708 ( 4.099 -4.871 -1.902) 6.645 9.708 ( 4.099 4.871 -1.902) 6.645 9.864 ( 1.208 -1.772 1.200) 2.458 9.864 ( 1.208 1.772 1.200) 2.458 10.101 ( -4.210 -2.265 -2.291) 5.302 10.101 ( -4.210 2.265 -2.291) 5.302 10.271 ( -1.466 -1.910 -1.567) 2.873 10.271 ( -1.466 1.910 -1.567) 2.873 10.364 ( -0.290 -2.922 1.719) 3.402 10.364 ( -0.290 2.922 1.719) 3.402 10.498 ( -3.737 -2.663 -0.796) 4.657 10.498 ( -3.737 2.663 -0.796) 4.657 10.611 ( -2.093 -2.189 2.312) 3.811 10.611 ( -2.093 2.189 2.312) 3.811 10.764 ( -1.531 -0.964 1.125) 2.130 10.764 ( -1.531 0.964 1.125) 2.130 10.888 ( -1.878 -4.342 0.279) 4.739 10.888 ( -1.878 4.342 0.279) 4.739 11.006 ( -1.810 -6.054 -0.117) 6.320 11.006 ( -1.810 6.054 -0.117) 6.320 11.380 ( -2.537 -6.192 -3.381) 7.497 11.380 ( -2.537 6.192 -3.381) 7.497 11.646 ( -2.963 -2.218 0.357) 3.718 11.646 ( -2.963 2.218 0.357) 3.718 12.061 ( 6.002 -8.946 1.620) 10.893 12.061 ( 6.002 8.946 1.620) 10.893 12.695 ( -1.511 -2.896 -10.867) 11.347 12.695 ( -1.511 2.896 -10.867) 11.347 12.793 ( 3.584 -17.912 0.051) 18.267 12.793 ( 3.584 17.912 0.051) 18.267 13.686 ( -1.174 -3.272 5.795) 6.758 13.686 ( -1.174 3.272 5.795) 6.758 14.079 ( -4.291 -3.702 0.668) 5.707 14.079 ( -4.291 3.702 0.668) 5.707 14.502 ( -5.425 -2.681 6.677) 9.011 14.502 ( -5.425 2.681 6.677) 9.011 14.966 ( -19.263 -3.360 -3.410) 19.849 14.966 ( -19.263 3.360 -3.410) 19.849 ======================= Grid point 114 (64/84) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 1.911 -8.671 -11.203) 14.295 1.493 ( 1.911 8.671 -11.203) 14.295 1.623 ( -12.413 -7.748 -2.053) 14.777 1.623 ( -12.413 7.748 -2.053) 14.777 2.223 ( 7.732 -5.502 -4.232) 10.391 2.223 ( 7.732 5.502 -4.233) 10.391 2.365 ( 5.783 -2.435 4.227) 7.565 2.365 ( 5.783 2.435 4.227) 7.565 2.675 ( -2.874 -4.534 -4.356) 6.913 2.675 ( -2.874 4.534 -4.356) 6.913 2.907 ( 1.288 -5.951 -2.379) 6.537 2.907 ( 1.288 5.951 -2.379) 6.537 3.046 ( 3.262 -1.232 -4.598) 5.770 3.046 ( 3.262 1.232 -4.598) 5.770 3.232 ( -1.391 -3.748 0.391) 4.016 3.232 ( -1.391 3.748 0.391) 4.016 3.525 ( 5.539 -10.371 -1.465) 11.848 3.525 ( 5.539 10.371 -1.465) 11.848 3.660 ( -1.253 -4.288 -2.960) 5.359 3.660 ( -1.253 4.288 -2.960) 5.359 3.836 ( 4.500 -1.956 4.948) 6.968 3.836 ( 4.500 1.956 4.948) 6.968 3.971 ( -4.321 -1.078 5.467) 7.051 3.971 ( -4.321 1.078 5.467) 7.051 4.044 ( -7.350 -4.858 5.353) 10.309 4.044 ( -7.350 4.858 5.353) 10.309 4.185 ( 2.366 -3.519 5.497) 6.942 4.185 ( 2.366 3.519 5.497) 6.942 4.437 ( 0.947 -2.888 -2.990) 4.263 4.437 ( 0.947 2.888 -2.990) 4.263 4.679 ( 2.374 -5.171 1.107) 5.797 4.679 ( 2.374 5.171 1.107) 5.797 4.765 ( -1.495 -7.106 2.111) 7.563 4.765 ( -1.495 7.106 2.111) 7.563 4.892 ( -0.616 -10.225 -1.468) 10.349 4.892 ( -0.616 10.225 -1.468) 10.349 5.167 ( -4.372 -7.050 -0.197) 8.297 5.167 ( -4.372 7.050 -0.197) 8.297 5.289 ( 6.128 -2.257 -0.982) 6.604 5.289 ( 6.128 2.257 -0.982) 6.604 5.481 ( 4.792 -1.427 -0.734) 5.053 5.481 ( 4.792 1.427 -0.734) 5.053 5.525 ( 1.741 -1.645 -1.801) 2.997 5.525 ( 1.741 1.645 -1.801) 2.997 5.664 ( 1.388 -2.905 3.805) 4.984 5.664 ( 1.388 2.905 3.805) 4.984 5.895 ( 3.107 -5.181 -1.192) 6.158 5.895 ( 3.107 5.181 -1.192) 6.158 5.983 ( 0.612 -4.117 -3.664) 5.545 5.983 ( 0.612 4.117 -3.664) 5.545 6.144 ( 3.653 -5.132 -0.747) 6.344 6.144 ( 3.653 5.132 -0.747) 6.344 6.281 ( -1.715 -5.409 -3.806) 6.832 6.281 ( -1.715 5.409 -3.806) 6.832 6.360 ( 3.961 -4.263 0.375) 5.831 6.360 ( 3.961 4.263 0.375) 5.831 6.683 ( 5.217 -2.362 2.058) 6.086 6.683 ( 5.217 2.362 2.058) 6.086 6.932 ( 7.477 -2.506 -1.291) 7.991 6.932 ( 7.477 2.506 -1.291) 7.991 7.483 ( 7.271 -1.383 7.711) 10.689 7.483 ( 7.271 1.383 7.711) 10.689 7.677 ( 4.548 -1.543 -2.601) 5.462 7.677 ( 4.548 1.543 -2.601) 5.462 7.823 ( 6.150 -1.834 2.492) 6.885 7.823 ( 6.150 1.834 2.492) 6.885 8.178 ( 8.504 -1.686 -0.652) 8.694 8.178 ( 8.504 1.686 -0.652) 8.694 8.418 ( 1.436 -3.072 0.450) 3.421 8.418 ( 1.436 3.072 0.450) 3.421 8.488 ( 0.306 -5.251 -1.241) 5.405 8.488 ( 0.306 5.251 -1.241) 5.405 8.740 ( 2.392 -2.271 0.805) 3.395 8.740 ( 2.392 2.271 0.805) 3.395 8.918 ( 1.874 -5.290 0.750) 5.662 8.918 ( 1.874 5.290 0.750) 5.662 9.133 ( 0.366 -1.428 1.357) 2.004 9.133 ( 0.366 1.428 1.357) 2.004 9.278 ( 7.028 -0.750 -1.265) 7.181 9.278 ( 7.028 0.750 -1.265) 7.181 9.382 ( 1.411 -1.642 0.814) 2.313 9.382 ( 1.411 1.642 0.814) 2.313 9.725 ( -2.985 -2.112 -2.147) 4.240 9.725 ( -2.985 2.112 -2.147) 4.240 9.902 ( 1.295 -0.808 2.572) 2.991 9.902 ( 1.295 0.808 2.572) 2.991 10.016 ( -2.641 -2.539 -2.278) 4.314 10.016 ( -2.641 2.539 -2.278) 4.314 10.236 ( -1.404 -0.291 -1.164) 1.847 10.236 ( -1.404 0.291 -1.164) 1.847 10.342 ( -1.975 -3.307 1.865) 4.279 10.342 ( -1.975 3.307 1.865) 4.279 10.434 ( -2.274 -2.359 0.156) 3.280 10.434 ( -2.274 2.359 0.156) 3.280 10.574 ( -1.694 -1.062 0.993) 2.233 10.574 ( -1.694 1.062 0.993) 2.233 10.730 ( -0.699 -1.275 -2.825) 3.177 10.730 ( -0.699 1.275 -2.825) 3.177 10.865 ( -1.328 -3.415 1.953) 4.152 10.865 ( -1.328 3.415 1.953) 4.152 10.964 ( -1.071 -6.911 0.622) 7.021 10.964 ( -1.071 6.911 0.622) 7.021 11.317 ( -3.258 -7.158 -6.127) 9.969 11.317 ( -3.258 7.158 -6.127) 9.969 11.600 ( -1.159 -2.558 -0.690) 2.892 11.600 ( -1.159 2.558 -0.690) 2.892 12.098 ( -3.193 -14.761 3.415) 15.484 12.098 ( -3.193 14.761 3.415) 15.484 12.647 ( -3.233 -10.950 -5.634) 12.732 12.647 ( -3.233 10.950 -5.634) 12.732 12.795 ( -0.664 -6.627 2.634) 7.162 12.795 ( -0.664 6.627 2.634) 7.162 13.705 ( -1.161 -4.604 2.942) 5.585 13.705 ( -1.161 4.604 2.942) 5.585 13.960 ( -4.597 -5.005 2.141) 7.125 13.960 ( -4.597 5.005 2.141) 7.125 14.402 ( -3.996 -0.943 5.577) 6.925 14.402 ( -3.996 0.943 5.577) 6.925 14.679 ( -7.725 -2.111 -6.972) 10.617 14.679 ( -7.725 2.111 -6.972) 10.617 ======================= Grid point 116 (65/84) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -7.591 -4.908 -4.141) 9.944 1.354 ( -7.591 4.908 -4.141) 9.944 1.576 ( 1.787 -5.080 -17.167) 17.992 1.576 ( 1.787 5.080 -17.167) 17.992 2.340 ( 3.315 -5.432 -3.967) 7.499 2.340 ( 3.315 5.432 -3.967) 7.499 2.450 ( -0.368 -3.661 4.240) 5.614 2.450 ( -0.368 3.661 4.240) 5.614 2.645 ( 3.517 -1.331 -2.189) 4.351 2.645 ( 3.517 1.331 -2.189) 4.351 2.926 ( -1.345 -4.639 -3.157) 5.771 2.926 ( -1.345 4.639 -3.157) 5.771 3.149 ( 6.770 -4.426 1.779) 8.281 3.149 ( 6.770 4.426 1.779) 8.281 3.221 ( 1.280 -4.890 -2.046) 5.453 3.221 ( 1.280 4.890 -2.046) 5.453 3.564 ( -1.407 -2.650 0.045) 3.000 3.564 ( -1.407 2.650 0.045) 3.000 3.699 ( 0.118 -7.999 3.965) 8.928 3.699 ( 0.118 7.999 3.965) 8.928 3.768 ( -8.440 -1.858 5.170) 10.071 3.768 ( -8.440 1.858 5.170) 10.071 3.877 ( -1.814 -3.139 -2.221) 4.252 3.877 ( -1.814 3.139 -2.221) 4.252 3.981 ( 2.382 -2.624 3.423) 4.927 3.981 ( 2.382 2.624 3.423) 4.927 4.212 ( 0.067 -5.497 -2.167) 5.909 4.212 ( 0.067 5.497 -2.167) 5.909 4.489 ( 0.413 -3.457 2.886) 4.522 4.489 ( 0.413 3.457 2.886) 4.522 4.590 ( -4.356 -6.067 4.003) 8.474 4.590 ( -4.356 6.067 4.003) 8.474 4.819 ( 3.215 -3.033 -0.699) 4.474 4.819 ( 3.215 3.033 -0.699) 4.474 4.940 ( 4.566 -7.189 -1.271) 8.611 4.940 ( 4.566 7.189 -1.271) 8.611 5.075 ( -3.733 -8.327 -0.579) 9.144 5.075 ( -3.733 8.327 -0.579) 9.144 5.386 ( 3.400 -2.651 -0.760) 4.378 5.386 ( 3.400 2.651 -0.760) 4.378 5.519 ( 0.263 -2.881 -1.022) 3.068 5.519 ( 0.263 2.881 -1.022) 3.068 5.622 ( 3.828 -0.532 1.862) 4.290 5.622 ( 3.828 0.532 1.862) 4.290 5.671 ( 0.082 -3.169 5.548) 6.390 5.671 ( 0.082 3.169 5.548) 6.390 5.958 ( 1.966 -3.785 -4.138) 5.943 5.958 ( 1.966 3.785 -4.138) 5.943 5.971 ( -1.254 -3.394 -3.908) 5.326 5.971 ( -1.254 3.394 -3.908) 5.326 6.156 ( -2.970 -3.534 -2.979) 5.494 6.156 ( -2.970 3.534 -2.979) 5.494 6.251 ( 0.891 -3.547 0.553) 3.698 6.251 ( 0.891 3.547 0.553) 3.698 6.438 ( 2.389 -1.721 -0.325) 2.963 6.438 ( 2.389 1.721 -0.325) 2.963 6.756 ( 2.108 -3.499 2.974) 5.053 6.756 ( 2.108 3.499 2.974) 5.053 7.035 ( 2.151 -1.451 -1.641) 3.070 7.035 ( 2.151 1.451 -1.641) 3.070 7.569 ( 0.615 -1.889 8.723) 8.947 7.569 ( 0.615 1.889 8.723) 8.947 7.739 ( 1.759 -2.349 -3.074) 4.250 7.739 ( 1.759 2.349 -3.074) 4.250 7.966 ( 5.441 -3.514 -1.414) 6.630 7.966 ( 5.441 3.514 -1.414) 6.630 8.314 ( 0.734 -1.746 1.304) 2.299 8.314 ( 0.734 1.746 1.304) 2.299 8.464 ( 3.488 -3.548 2.747) 5.684 8.464 ( 3.488 3.548 2.747) 5.684 8.491 ( 2.417 -1.274 1.612) 3.173 8.491 ( 2.417 1.274 1.612) 3.173 8.791 ( 2.069 -1.539 2.616) 3.673 8.791 ( 2.069 1.539 2.616) 3.673 8.941 ( 0.245 -5.696 -3.739) 6.818 8.941 ( 0.245 5.696 -3.739) 6.818 9.130 ( -0.143 -1.202 0.806) 1.454 9.130 ( -0.143 1.202 0.806) 1.454 9.376 ( 0.269 -0.752 -1.695) 1.874 9.376 ( 0.269 0.752 -1.695) 1.874 9.451 ( 5.739 -3.974 0.025) 6.981 9.451 ( 5.739 3.974 0.025) 6.981 9.641 ( -3.195 -1.328 -1.261) 3.683 9.641 ( -3.195 1.328 -1.261) 3.683 9.868 ( -2.834 -2.164 0.238) 3.574 9.868 ( -2.834 2.164 0.238) 3.574 9.974 ( -3.922 -2.659 0.440) 4.759 9.974 ( -3.922 2.659 0.440) 4.759 10.227 ( 0.421 -3.849 1.407) 4.120 10.227 ( 0.421 3.849 1.407) 4.120 10.307 ( -1.168 -2.010 1.565) 2.803 10.307 ( -1.168 2.010 1.565) 2.803 10.421 ( 1.435 -1.839 -0.252) 2.346 10.421 ( 1.435 1.839 -0.252) 2.346 10.541 ( -1.195 -0.920 0.487) 1.585 10.541 ( -1.195 0.920 0.487) 1.585 10.741 ( 0.478 -6.002 -5.245) 7.985 10.741 ( 0.478 6.002 -5.245) 7.985 10.822 ( -1.378 -1.276 1.759) 2.573 10.822 ( -1.378 1.276 1.759) 2.573 11.002 ( 4.167 -4.173 -2.526) 6.415 11.002 ( 4.167 4.173 -2.526) 6.415 11.247 ( -3.200 -5.389 -6.447) 8.992 11.247 ( -3.200 5.389 -6.447) 8.992 11.601 ( 0.549 -3.379 1.632) 3.793 11.601 ( 0.549 3.379 1.632) 3.793 11.970 ( -6.246 -8.179 2.550) 10.602 11.970 ( -6.246 8.179 2.550) 10.602 12.575 ( -3.338 -14.446 4.222) 15.416 12.575 ( -3.338 14.446 4.222) 15.416 12.830 ( 3.615 -10.065 -2.205) 10.919 12.830 ( 3.615 10.065 -2.205) 10.919 13.541 ( -10.626 -3.200 5.298) 12.297 13.541 ( -10.626 3.200 5.298) 12.297 13.992 ( 4.763 -4.854 -0.500) 6.819 13.992 ( 4.763 4.854 -0.500) 6.819 14.357 ( -0.545 -0.167 4.081) 4.120 14.357 ( -0.545 0.167 4.081) 4.120 14.606 ( -0.656 -2.237 -8.315) 8.636 14.606 ( -0.656 2.237 -8.315) 8.636 ======================= Grid point 118 (66/84) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 3.353 -4.096 -4.495) 6.944 1.316 ( 3.353 4.096 -4.495) 6.944 1.595 ( 1.594 -3.495 -17.020) 17.448 1.595 ( 1.594 3.495 -17.020) 17.448 2.249 ( -8.567 -3.319 3.149) 9.712 2.249 ( -8.567 3.319 3.149) 9.712 2.545 ( 4.379 -3.409 -4.354) 7.053 2.545 ( 4.379 3.409 -4.354) 7.053 2.684 ( -0.323 -1.047 -0.236) 1.120 2.684 ( -0.323 1.047 -0.236) 1.120 2.927 ( 4.099 -5.248 -3.729) 7.632 2.927 ( 4.099 5.248 -3.729) 7.632 3.134 ( -3.390 -1.449 -2.945) 4.718 3.134 ( -3.390 1.449 -2.945) 4.718 3.397 ( 4.677 -3.330 -1.534) 5.943 3.397 ( 4.677 3.330 -1.534) 5.943 3.448 ( -5.972 -7.575 8.131) 12.616 3.448 ( -5.972 7.575 8.131) 12.616 3.589 ( -4.919 -8.770 -1.037) 10.108 3.589 ( -4.919 8.770 -1.037) 10.108 3.703 ( 0.931 -4.509 1.526) 4.850 3.703 ( 0.931 4.509 1.526) 4.850 3.905 ( 2.678 -3.650 4.796) 6.595 3.905 ( 2.678 3.650 4.796) 6.595 4.071 ( 3.174 -2.723 1.669) 4.502 4.071 ( 3.174 2.723 1.669) 4.502 4.221 ( 0.828 -4.293 -2.249) 4.916 4.221 ( 0.828 4.293 -2.249) 4.916 4.414 ( -2.658 -4.473 3.684) 6.376 4.414 ( -2.658 4.473 3.684) 6.376 4.575 ( 0.010 -2.538 2.437) 3.519 4.575 ( 0.010 2.538 2.437) 3.519 4.898 ( 4.051 -2.035 -0.830) 4.609 4.898 ( 4.051 2.035 -0.830) 4.609 4.985 ( -2.136 -2.472 -1.025) 3.424 4.985 ( -2.136 2.472 -1.025) 3.424 5.044 ( 2.225 -3.655 0.246) 4.286 5.044 ( 2.225 3.655 0.246) 4.286 5.413 ( -1.870 -2.220 -2.192) 3.637 5.413 ( -1.870 2.220 -2.192) 3.637 5.484 ( -3.147 -0.951 -0.281) 3.300 5.484 ( -3.147 0.951 -0.281) 3.300 5.611 ( -2.479 -4.216 2.926) 5.699 5.611 ( -2.479 4.216 2.926) 5.699 5.726 ( 2.231 -1.193 2.089) 3.281 5.726 ( 2.231 1.194 2.089) 3.281 5.930 ( -0.502 -3.963 -2.726) 4.836 5.930 ( -0.502 3.963 -2.726) 4.836 5.973 ( -1.438 -1.496 -3.335) 3.928 5.973 ( -1.438 1.496 -3.335) 3.928 6.109 ( -1.130 -2.667 -1.343) 3.193 6.109 ( -1.130 2.667 -1.343) 3.193 6.259 ( -0.550 -3.053 -0.083) 3.103 6.259 ( -0.550 3.053 -0.083) 3.103 6.446 ( -1.541 -0.995 -0.731) 1.974 6.446 ( -1.541 0.995 -0.731) 1.974 6.775 ( -0.384 -4.008 3.064) 5.059 6.775 ( -0.384 4.008 3.064) 5.059 7.014 ( -4.090 -0.709 -1.526) 4.423 7.014 ( -4.090 0.709 -1.526) 4.423 7.525 ( -4.540 -2.139 8.126) 9.551 7.525 ( -4.540 2.139 8.126) 9.551 7.774 ( 1.609 -2.712 -1.637) 3.553 7.774 ( 1.609 2.712 -1.637) 3.553 7.947 ( -6.579 -4.420 -1.961) 8.164 7.947 ( -6.579 4.420 -1.961) 8.164 8.265 ( -4.947 -2.638 4.585) 7.243 8.265 ( -4.947 2.638 4.585) 7.243 8.432 ( -2.951 -4.809 -2.984) 6.383 8.432 ( -2.951 4.809 -2.984) 6.383 8.573 ( -0.866 -2.456 5.659) 6.229 8.573 ( -0.866 2.456 5.659) 6.229 8.814 ( 0.718 -1.179 2.371) 2.743 8.814 ( 0.718 1.179 2.371) 2.743 8.956 ( 1.233 -3.760 -6.410) 7.533 8.956 ( 1.233 3.760 -6.410) 7.533 9.144 ( 1.098 -0.666 0.346) 1.329 9.144 ( 1.098 0.666 0.346) 1.329 9.353 ( -1.171 -4.516 0.071) 4.666 9.353 ( -1.171 4.516 0.071) 4.666 9.502 ( -0.852 -4.202 -0.891) 4.379 9.502 ( -0.852 4.202 -0.891) 4.379 9.634 ( 0.200 -4.217 -2.916) 5.131 9.634 ( 0.200 4.217 -2.916) 5.131 9.850 ( 1.682 -2.290 2.558) 3.823 9.850 ( 1.682 2.290 2.558) 3.823 9.886 ( -1.295 -3.281 1.463) 3.819 9.886 ( -1.295 3.281 1.463) 3.819 10.215 ( -2.951 -5.404 2.028) 6.483 10.215 ( -2.951 5.404 2.028) 6.483 10.301 ( 0.742 -1.706 2.043) 2.763 10.301 ( 0.742 1.706 2.043) 2.763 10.459 ( 1.517 -2.264 -0.742) 2.824 10.459 ( 1.517 2.264 -0.742) 2.824 10.564 ( 3.595 -3.532 -0.071) 5.040 10.564 ( 3.595 3.532 -0.071) 5.040 10.724 ( -1.029 -7.642 -5.330) 9.374 10.724 ( -1.029 7.642 -5.330) 9.374 10.836 ( 2.278 -1.211 1.936) 3.225 10.836 ( 2.278 1.211 1.936) 3.225 11.053 ( -0.937 -2.958 -4.683) 5.618 11.053 ( -0.937 2.958 -4.683) 5.618 11.225 ( 1.374 -1.487 -7.145) 7.426 11.225 ( 1.374 1.487 -7.145) 7.426 11.583 ( -0.968 -5.525 3.726) 6.734 11.583 ( -0.968 5.525 3.726) 6.734 11.977 ( 6.921 -10.990 1.870) 13.122 11.977 ( 6.921 10.990 1.870) 13.122 12.513 ( -2.376 -8.036 5.074) 9.797 12.513 ( -2.376 8.036 5.074) 9.797 12.885 ( -0.602 -16.835 -2.303) 17.003 12.885 ( -0.602 16.835 -2.303) 17.003 13.409 ( -0.376 -1.924 6.767) 7.045 13.409 ( -0.376 1.924 6.767) 7.045 14.085 ( 4.045 -5.351 -0.909) 6.769 14.085 ( 4.045 5.351 -0.909) 6.769 14.369 ( 1.321 -0.176 3.965) 4.183 14.369 ( 1.321 0.176 3.965) 4.183 14.627 ( 3.124 -3.239 -9.460) 10.476 14.627 ( 3.124 3.239 -9.460) 10.476 ======================= Grid point 120 (67/84) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.623 -4.349 -7.929) 9.188 1.388 ( 1.623 4.349 -7.929) 9.188 1.719 ( 11.346 -1.971 -6.506) 13.227 1.719 ( 11.346 1.971 -6.506) 13.227 2.051 ( -10.332 -3.108 5.485) 12.104 2.051 ( -10.332 3.108 5.485) 12.104 2.472 ( -6.132 -2.717 -4.994) 8.362 2.472 ( -6.132 2.717 -4.994) 8.362 2.756 ( 2.986 -2.409 -1.872) 4.269 2.756 ( 2.986 2.409 -1.872) 4.269 2.970 ( -2.760 -9.573 -6.647) 11.977 2.970 ( -2.760 9.573 -6.647) 11.977 3.091 ( -2.356 -3.343 -5.881) 7.163 3.091 ( -2.356 3.343 -5.881) 7.163 3.295 ( 2.544 -6.201 2.105) 7.025 3.295 ( 2.544 6.201 2.105) 7.025 3.467 ( -6.030 -6.671 -3.708) 9.727 3.467 ( -6.030 6.671 -3.708) 9.727 3.539 ( 2.823 -4.614 1.506) 5.615 3.539 ( 2.823 4.614 1.506) 5.615 3.765 ( 1.960 -8.019 3.172) 8.844 3.765 ( 1.960 8.019 3.172) 8.844 3.952 ( 0.200 -3.496 10.386) 10.960 3.952 ( 0.200 3.496 10.386) 10.960 4.084 ( 0.094 -6.055 3.109) 6.807 4.084 ( 0.094 6.055 3.109) 6.807 4.191 ( -2.736 -1.805 4.103) 5.252 4.191 ( -2.736 1.805 4.103) 5.252 4.415 ( -0.389 -4.116 0.996) 4.253 4.415 ( -0.389 4.116 0.996) 4.253 4.623 ( 4.095 -8.149 -2.899) 9.570 4.623 ( 4.095 8.149 -2.899) 9.570 4.918 ( 1.264 -2.475 1.476) 3.147 4.918 ( 1.264 2.475 1.476) 3.147 4.986 ( 1.413 -2.988 -1.744) 3.737 4.986 ( 1.413 2.988 -1.744) 3.737 5.101 ( 2.305 -3.395 0.476) 4.131 5.101 ( 2.305 3.395 0.476) 4.131 5.302 ( -7.312 -1.433 -1.565) 7.613 5.302 ( -7.312 1.433 -1.565) 7.613 5.425 ( -2.345 -1.872 -1.908) 3.555 5.425 ( -2.345 1.872 -1.908) 3.555 5.555 ( -3.417 -4.557 0.092) 5.696 5.555 ( -3.417 4.557 0.092) 5.696 5.702 ( -4.337 -1.304 -1.354) 4.727 5.702 ( -4.337 1.304 -1.354) 4.727 5.903 ( -3.335 -2.673 0.155) 4.277 5.903 ( -3.335 2.673 0.155) 4.277 5.946 ( -0.433 -1.739 0.965) 2.035 5.946 ( -0.433 1.739 0.965) 2.035 6.114 ( 1.244 -0.535 -2.909) 3.209 6.114 ( 1.244 0.535 -2.909) 3.209 6.234 ( -1.570 -2.694 -1.024) 3.282 6.234 ( -1.570 2.694 -1.024) 3.282 6.387 ( -3.649 -3.573 -1.028) 5.210 6.387 ( -3.649 3.573 -1.028) 5.210 6.721 ( -5.691 -3.290 2.289) 6.960 6.721 ( -5.691 3.290 2.289) 6.960 6.882 ( -7.986 -0.553 -0.918) 8.057 6.882 ( -7.986 0.553 -0.918) 8.057 7.405 ( -6.601 -2.417 7.941) 10.606 7.405 ( -6.601 2.417 7.941) 10.606 7.743 ( -5.977 -4.295 0.863) 7.411 7.743 ( -5.977 4.295 0.863) 7.411 7.842 ( -0.505 -4.398 -3.534) 5.665 7.842 ( -0.505 4.398 -3.534) 5.665 8.116 ( -8.613 -3.978 4.286) 10.411 8.116 ( -8.613 3.978 4.286) 10.411 8.342 ( -5.894 -6.177 -0.546) 8.555 8.342 ( -5.894 6.177 -0.546) 8.555 8.507 ( -3.048 -3.662 1.064) 4.882 8.507 ( -3.048 3.662 1.064) 4.882 8.842 ( 0.704 -2.640 -1.873) 3.313 8.842 ( 0.704 2.640 -1.873) 3.313 8.940 ( -1.830 -3.071 -1.378) 3.831 8.940 ( -1.830 3.071 -1.378) 3.831 9.143 ( -1.297 -1.930 0.383) 2.357 9.143 ( -1.297 1.930 0.383) 2.357 9.313 ( -3.875 -6.895 -2.287) 8.233 9.313 ( -3.875 6.895 -2.287) 8.233 9.475 ( -2.175 -3.491 0.389) 4.131 9.475 ( -2.175 3.491 0.389) 4.131 9.588 ( -1.808 -3.241 1.214) 3.905 9.588 ( -1.808 3.241 1.214) 3.905 9.900 ( 3.593 -2.470 -0.421) 4.380 9.900 ( 3.593 2.470 -0.421) 4.380 9.991 ( 6.433 -3.099 1.941) 7.400 9.991 ( 6.433 3.099 1.941) 7.400 10.125 ( -3.034 -6.955 0.311) 7.594 10.125 ( -3.034 6.955 0.311) 7.594 10.326 ( 1.639 -1.464 1.887) 2.896 10.326 ( 1.639 1.464 1.887) 2.896 10.504 ( 2.782 -2.720 2.181) 4.460 10.504 ( 2.782 2.720 2.181) 4.460 10.601 ( -1.035 -3.396 -0.592) 3.599 10.601 ( -1.035 3.396 -0.592) 3.599 10.738 ( 2.246 -3.762 -5.594) 7.105 10.738 ( 2.246 3.762 -5.594) 7.105 10.922 ( 5.722 -3.849 4.530) 8.251 10.922 ( 5.722 3.849 4.530) 8.251 11.012 ( -1.311 -3.378 -2.842) 4.606 11.012 ( -1.311 3.378 -2.842) 4.606 11.213 ( -2.530 -8.152 -5.932) 10.395 11.213 ( -2.530 8.152 -5.932) 10.395 11.640 ( 5.790 -6.263 -0.564) 8.548 11.640 ( 5.790 6.263 -0.564) 8.548 12.150 ( 7.167 -17.129 2.133) 18.690 12.150 ( 7.167 17.129 2.133) 18.690 12.507 ( 2.122 -3.880 0.103) 4.423 12.507 ( 2.122 3.880 0.103) 4.423 12.763 ( -9.973 -14.559 2.405) 17.811 12.763 ( -9.973 14.559 2.405) 17.811 13.519 ( 8.614 -11.582 5.353) 15.395 13.519 ( 8.614 11.582 5.353) 15.395 14.150 ( 1.982 -4.117 -0.752) 4.630 14.150 ( 1.982 4.117 -0.752) 4.630 14.411 ( 2.928 -0.164 4.726) 5.562 14.411 ( 2.928 0.164 4.726) 5.562 14.759 ( 10.771 -3.515 -9.098) 14.531 14.759 ( 10.771 3.515 -9.098) 14.531 ======================= Grid point 122 (68/84) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -3.823 -13.112 -3.926) 14.211 1.367 ( -3.823 13.112 -3.926) 14.211 1.820 ( -6.160 -2.268 12.262) 13.908 1.820 ( -6.160 2.268 12.262) 13.908 2.015 ( 10.141 -5.973 -0.791) 11.796 2.015 ( 10.141 5.973 -0.791) 11.796 2.415 ( 2.251 -1.795 -13.856) 14.152 2.415 ( 2.251 1.795 -13.856) 14.152 2.661 ( -10.737 -9.460 -5.520) 15.338 2.661 ( -10.737 9.460 -5.520) 15.338 2.947 ( 0.381 -4.230 -3.788) 5.691 2.947 ( 0.381 4.230 -3.788) 5.691 3.080 ( 3.055 -6.742 -6.447) 9.816 3.080 ( 3.055 6.742 -6.447) 9.816 3.298 ( -8.003 -6.814 -1.942) 10.689 3.298 ( -8.003 6.814 -1.942) 10.689 3.399 ( 1.282 -1.254 1.754) 2.508 3.399 ( 1.282 1.254 1.754) 2.508 3.596 ( 1.080 -3.755 4.931) 6.292 3.596 ( 1.080 3.755 4.931) 6.292 3.759 ( 0.142 -8.153 2.744) 8.604 3.759 ( 0.142 8.153 2.744) 8.604 3.923 ( -1.753 -1.264 4.569) 5.054 3.923 ( -1.753 1.264 4.569) 5.054 4.012 ( -4.704 -2.782 8.224) 9.874 4.012 ( -4.704 2.782 8.224) 9.874 4.230 ( 3.340 -2.043 -0.152) 3.918 4.230 ( 3.340 2.043 -0.152) 3.918 4.400 ( -0.466 -5.095 0.284) 5.124 4.400 ( -0.466 5.095 0.284) 5.124 4.622 ( -2.817 -4.760 -4.511) 7.137 4.622 ( -2.817 4.760 -4.511) 7.137 4.962 ( -3.095 -3.178 0.247) 4.443 4.962 ( -3.095 3.178 0.247) 4.443 5.003 ( -2.911 -0.828 2.464) 3.903 5.003 ( -2.911 0.828 2.464) 3.903 5.124 ( 4.216 -7.491 -5.150) 10.021 5.124 ( 4.216 7.491 -5.150) 10.021 5.197 ( -2.139 -4.333 2.378) 5.386 5.197 ( -2.139 4.333 2.378) 5.386 5.388 ( -2.495 -1.327 -2.554) 3.809 5.388 ( -2.495 1.327 -2.554) 3.809 5.473 ( -2.669 -6.037 -3.013) 7.256 5.473 ( -2.669 6.037 -3.013) 7.256 5.600 ( -3.120 -0.772 2.581) 4.122 5.600 ( -3.120 0.772 2.581) 4.122 5.870 ( -0.184 -4.758 -2.272) 5.276 5.870 ( -0.184 4.758 -2.272) 5.276 5.902 ( -3.741 -1.056 2.799) 4.790 5.902 ( -3.741 1.056 2.799) 4.790 6.111 ( -2.076 -1.007 -1.826) 2.942 6.111 ( -2.076 1.007 -1.826) 2.942 6.193 ( -2.375 -1.769 -1.704) 3.417 6.193 ( -2.375 1.769 -1.704) 3.417 6.314 ( -3.490 -5.376 -0.641) 6.442 6.314 ( -3.490 5.376 -0.641) 6.442 6.555 ( -8.767 -1.104 1.354) 8.940 6.555 ( -8.767 1.104 1.354) 8.940 6.721 ( -7.128 -0.415 -1.551) 7.307 6.721 ( -7.128 0.415 -1.551) 7.307 7.297 ( -3.561 -2.572 7.707) 8.871 7.297 ( -3.561 2.572 7.707) 8.871 7.634 ( -4.225 -4.242 -0.191) 5.990 7.634 ( -4.225 4.242 -0.191) 5.990 7.831 ( -1.408 -4.749 -2.483) 5.540 7.831 ( -1.408 4.749 -2.483) 5.540 7.964 ( -5.632 -2.020 -0.526) 6.007 7.964 ( -5.632 2.020 -0.526) 6.007 8.223 ( -5.047 -6.970 2.490) 8.959 8.223 ( -5.047 6.970 2.490) 8.959 8.476 ( -0.308 -5.692 1.248) 5.835 8.476 ( -0.308 5.692 1.248) 5.835 8.805 ( -2.896 -3.148 -5.271) 6.788 8.805 ( -2.896 3.148 -5.271) 6.788 8.935 ( 0.628 -0.350 0.506) 0.880 8.935 ( 0.628 0.350 0.506) 0.880 9.077 ( -4.119 -3.050 -0.636) 5.165 9.077 ( -4.119 3.050 -0.636) 5.165 9.266 ( 0.216 -3.101 1.401) 3.410 9.266 ( 0.216 3.101 1.401) 3.410 9.389 ( -5.565 -4.291 1.127) 7.117 9.389 ( -5.565 4.291 1.127) 7.117 9.575 ( -0.448 -1.884 1.343) 2.357 9.575 ( -0.448 1.884 1.343) 2.357 9.929 ( -1.672 -2.059 -1.938) 3.284 9.929 ( -1.672 2.059 -1.938) 3.284 10.052 ( 3.732 -0.667 1.550) 4.096 10.052 ( 3.732 0.667 1.550) 4.096 10.195 ( 5.025 -5.886 -0.959) 7.799 10.195 ( 5.025 5.886 -0.959) 7.799 10.366 ( 1.931 -1.711 2.286) 3.447 10.366 ( 1.931 1.711 2.286) 3.447 10.541 ( -0.946 -2.514 -0.614) 2.755 10.541 ( -0.946 2.514 -0.614) 2.755 10.589 ( 2.615 -0.614 3.034) 4.052 10.589 ( 2.615 0.614 3.034) 4.052 10.769 ( 0.731 -2.509 -0.611) 2.684 10.769 ( 0.731 2.509 -0.611) 2.684 10.963 ( -0.471 -4.412 -2.369) 5.030 10.963 ( -0.471 4.412 -2.369) 5.030 11.077 ( 3.441 -3.803 -0.704) 5.177 11.077 ( 3.441 3.803 -0.704) 5.177 11.175 ( 1.314 -3.337 0.718) 3.658 11.175 ( 1.314 3.337 0.718) 3.658 11.763 ( 5.453 -3.832 -2.358) 7.069 11.763 ( 5.453 3.832 -2.358) 7.069 12.184 ( -5.209 -10.603 -1.937) 11.972 12.184 ( -5.209 10.603 -1.937) 11.972 12.536 ( -7.908 -7.516 2.396) 11.170 12.536 ( -7.908 7.516 2.396) 11.170 12.603 ( 3.957 -6.737 -1.437) 7.944 12.603 ( 3.957 6.737 -1.437) 7.944 13.691 ( 7.319 -16.056 4.287) 18.159 13.691 ( 7.319 16.056 4.287) 18.159 14.165 ( -0.212 -2.128 -1.156) 2.431 14.165 ( -0.212 2.128 -1.156) 2.431 14.498 ( 5.272 -1.451 6.217) 8.279 14.498 ( 5.272 1.451 6.217) 8.279 15.065 ( 18.163 -3.182 -6.322) 19.493 15.065 ( 18.163 3.182 -6.322) 19.493 ======================= Grid point 124 (69/84) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -6.701 -17.383 2.480) 18.794 1.241 ( -6.701 17.383 2.480) 18.794 1.749 ( -1.372 -14.510 17.375) 22.679 1.749 ( -1.372 14.510 17.375) 22.679 2.180 ( 6.600 -6.174 -3.132) 9.565 2.180 ( 6.600 6.174 -3.132) 9.565 2.420 ( -11.047 -13.481 -7.791) 19.091 2.420 ( -11.047 13.481 -7.791) 19.091 2.552 ( 8.757 -5.836 -17.981) 20.834 2.552 ( 8.757 5.836 -17.981) 20.834 2.944 ( -1.122 -8.696 0.338) 8.775 2.944 ( -1.122 8.696 0.338) 8.775 3.071 ( -7.371 -11.633 2.923) 14.079 3.071 ( -7.371 11.633 2.923) 14.079 3.171 ( -1.249 -10.071 -2.596) 10.475 3.171 ( -1.249 10.071 -2.596) 10.475 3.414 ( 0.662 -9.738 0.794) 9.793 3.414 ( 0.662 9.738 0.794) 9.793 3.564 ( -0.153 -1.352 4.760) 4.950 3.564 ( -0.153 1.352 4.760) 4.950 3.828 ( 0.549 -2.619 2.041) 3.366 3.828 ( 0.549 2.619 2.041) 3.366 3.896 ( 2.942 -4.293 0.374) 5.217 3.896 ( 2.942 4.293 0.374) 5.217 3.999 ( 2.493 -1.809 2.512) 3.974 3.999 ( 2.493 1.809 2.512) 3.974 4.183 ( -6.071 -3.605 -2.215) 7.400 4.183 ( -6.071 3.605 -2.215) 7.400 4.441 ( 2.265 -3.866 -1.951) 4.887 4.441 ( 2.265 3.866 -1.951) 4.887 4.560 ( -2.397 -4.571 -0.067) 5.162 4.560 ( -2.397 4.571 -0.067) 5.162 4.823 ( -6.803 -3.069 -0.986) 7.528 4.823 ( -6.803 3.069 -0.986) 7.528 4.918 ( -4.963 -3.050 0.047) 5.826 4.918 ( -4.963 3.050 0.047) 5.826 5.108 ( -4.329 -6.642 -1.776) 8.125 5.108 ( -4.329 6.642 -1.776) 8.125 5.191 ( -1.403 -2.099 1.531) 2.953 5.191 ( -1.403 2.099 1.531) 2.953 5.326 ( -0.895 -1.265 -1.721) 2.316 5.326 ( -0.895 1.265 -1.721) 2.316 5.483 ( 0.246 -5.493 -1.495) 5.698 5.483 ( 0.246 5.493 -1.495) 5.698 5.611 ( 3.074 -1.312 3.808) 5.067 5.611 ( 3.074 1.312 3.808) 5.067 5.809 ( -3.676 -2.421 2.370) 4.999 5.809 ( -3.676 2.421 2.370) 4.999 5.875 ( -0.396 -5.084 -5.311) 7.363 5.875 ( -0.396 5.084 -5.311) 7.363 6.043 ( -2.685 -1.402 0.840) 3.143 6.043 ( -2.685 1.402 0.840) 3.143 6.162 ( -1.246 -1.800 -0.645) 2.282 6.162 ( -1.246 1.800 -0.645) 2.282 6.251 ( -1.850 -4.025 0.435) 4.451 6.251 ( -1.850 4.025 0.435) 4.451 6.415 ( -4.734 -1.549 -0.452) 5.001 6.415 ( -4.734 1.549 -0.452) 5.001 6.622 ( -1.731 -2.064 -3.355) 4.303 6.622 ( -1.731 2.064 -3.355) 4.303 7.253 ( -1.435 -2.317 7.977) 8.430 7.253 ( -1.435 2.317 7.977) 8.430 7.565 ( -2.440 -2.779 0.430) 3.723 7.565 ( -2.440 2.779 0.430) 3.723 7.794 ( -2.075 -3.038 -2.704) 4.566 7.794 ( -2.075 3.038 -2.704) 4.566 7.883 ( -2.171 -0.866 -4.991) 5.511 7.883 ( -2.171 0.866 -4.991) 5.511 8.149 ( -2.022 -7.661 2.517) 8.314 8.149 ( -2.022 7.661 2.517) 8.314 8.472 ( -0.432 -7.079 3.599) 7.953 8.472 ( -0.432 7.079 3.599) 7.953 8.747 ( -3.285 -6.016 -5.507) 8.793 8.747 ( -3.285 6.016 -5.507) 8.793 8.932 ( -0.741 -2.690 -2.020) 3.445 8.932 ( -0.741 2.690 -2.020) 3.445 9.074 ( 4.596 -1.889 1.819) 5.291 9.074 ( 4.596 1.889 1.819) 5.291 9.245 ( -4.977 -2.922 -0.432) 5.788 9.245 ( -4.977 2.922 -0.432) 5.788 9.312 ( 0.519 -1.252 6.181) 6.328 9.312 ( 0.519 1.252 6.181) 6.328 9.566 ( -0.395 -1.688 -0.338) 1.766 9.566 ( -0.395 1.688 -0.338) 1.766 9.894 ( -1.732 -1.603 -2.817) 3.675 9.894 ( -1.732 1.603 -2.817) 3.675 10.113 ( 1.475 -0.190 0.541) 1.582 10.113 ( 1.475 0.190 0.541) 1.582 10.249 ( 0.843 -3.556 -0.133) 3.657 10.249 ( 0.843 3.556 -0.133) 3.657 10.395 ( 0.834 -3.649 1.444) 4.012 10.395 ( 0.834 3.649 1.444) 4.012 10.542 ( 1.902 -4.515 -0.083) 4.900 10.542 ( 1.902 4.515 -0.083) 4.900 10.658 ( 2.942 -2.237 4.125) 5.539 10.658 ( 2.942 2.237 4.125) 5.539 10.780 ( 0.546 -3.014 3.440) 4.606 10.780 ( 0.546 3.014 3.440) 4.606 10.954 ( -0.363 -1.728 -3.628) 4.035 10.954 ( -0.363 1.728 -3.628) 4.035 11.072 ( -1.030 -8.991 -5.159) 10.417 11.072 ( -1.030 8.991 -5.159) 10.417 11.275 ( 5.350 -4.433 6.368) 9.425 11.275 ( 5.350 4.433 6.368) 9.425 11.837 ( 0.780 -4.410 -2.460) 5.110 11.837 ( 0.780 4.410 -2.460) 5.110 11.978 ( -11.272 -3.596 -3.430) 12.319 11.978 ( -11.272 3.596 -3.430) 12.319 12.402 ( -4.008 -5.929 5.448) 8.994 12.402 ( -4.008 5.929 5.448) 8.994 12.709 ( 4.762 -2.078 -10.402) 11.627 12.709 ( 4.762 2.078 -10.402) 11.627 13.806 ( 3.561 -12.444 5.345) 14.004 13.806 ( 3.561 12.444 5.345) 14.004 14.154 ( -0.593 -1.671 -0.996) 2.034 14.154 ( -0.593 1.671 -0.996) 2.034 14.609 ( 4.741 -3.175 7.744) 9.619 14.609 ( 4.741 3.175 7.744) 9.619 15.424 ( 14.633 -5.149 -5.249) 16.376 15.424 ( 14.633 5.149 -5.249) 16.376 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.835 0.000 -3.716) 3.809 1.507 ( -0.835 0.000 3.716) 3.809 1.788 ( -4.531 0.000 -3.506) 5.729 1.788 ( 4.531 0.000 3.506) 5.729 1.898 ( 16.789 0.000 -13.300) 21.419 1.898 ( -16.789 0.000 13.300) 21.419 2.390 ( -7.950 0.000 -3.199) 8.570 2.390 ( 7.950 0.000 3.199) 8.570 2.620 ( 3.217 0.000 -1.595) 3.590 2.620 ( -3.217 0.000 1.595) 3.590 2.807 ( -4.895 0.000 -4.569) 6.696 2.807 ( 4.895 0.000 4.569) 6.696 2.902 ( -2.276 0.000 -6.826) 7.196 2.902 ( 2.276 0.000 6.826) 7.196 3.185 ( -0.560 0.000 -17.566) 17.575 3.185 ( 0.560 0.000 17.566) 17.575 3.393 ( -0.527 0.000 -6.487) 6.509 3.393 ( 0.527 0.000 6.487) 6.509 3.556 ( 3.838 0.000 -5.902) 7.040 3.556 ( -3.838 0.000 5.902) 7.040 3.653 ( -2.516 0.000 -2.109) 3.283 3.653 ( 2.516 0.000 2.109) 3.283 3.908 ( -4.212 0.000 -5.732) 7.113 3.908 ( 4.212 0.000 5.732) 7.113 4.205 ( -6.156 0.000 -0.142) 6.158 4.205 ( 6.156 0.000 0.142) 6.158 4.236 ( -1.595 0.000 -2.531) 2.992 4.236 ( 1.595 0.000 2.531) 2.992 4.464 ( -5.782 0.000 -2.804) 6.426 4.464 ( 5.782 0.000 2.804) 6.426 4.656 ( -2.606 0.000 -5.642) 6.215 4.656 ( 2.606 0.000 5.642) 6.215 4.720 ( 2.644 0.000 -3.227) 4.172 4.720 ( -2.644 0.000 3.227) 4.172 4.842 ( 1.083 0.000 -0.413) 1.159 4.842 ( -1.083 0.000 0.413) 1.159 5.035 ( 1.563 0.000 -1.840) 2.414 5.035 ( -1.563 0.000 1.840) 2.414 5.242 ( 0.663 0.000 -2.161) 2.261 5.242 ( -0.663 0.000 2.161) 2.261 5.382 ( -5.020 0.000 -2.668) 5.685 5.382 ( 5.020 0.000 2.668) 5.685 5.527 ( -2.264 0.000 -2.124) 3.104 5.527 ( 2.264 0.000 2.124) 3.104 5.595 ( 0.952 0.000 -3.734) 3.853 5.595 ( -0.952 0.000 3.734) 3.853 5.692 ( 2.740 0.000 -1.351) 3.055 5.692 ( -2.740 0.000 1.351) 3.055 5.831 ( 1.806 0.000 -7.189) 7.413 5.831 ( -1.806 0.000 7.189) 7.413 5.960 ( -2.518 0.000 0.233) 2.528 5.960 ( 2.518 0.000 -0.233) 2.528 6.111 ( -2.888 0.000 -2.568) 3.864 6.111 ( 2.888 0.000 2.568) 3.864 6.246 ( -0.969 0.000 0.241) 0.999 6.246 ( 0.969 0.000 -0.241) 0.999 6.341 ( -2.509 0.000 0.078) 2.511 6.341 ( 2.509 0.000 -0.078) 2.511 6.617 ( -0.378 0.000 -7.188) 7.198 6.617 ( 0.378 0.000 7.188) 7.198 7.400 ( -0.622 0.000 -8.845) 8.866 7.400 ( 0.622 0.000 8.845) 8.866 7.554 ( -1.825 0.000 -11.128) 11.276 7.554 ( 1.825 0.000 11.128) 11.276 7.599 ( -1.383 0.000 -0.364) 1.430 7.599 ( 1.383 0.000 0.364) 1.430 7.767 ( -1.855 0.000 -4.723) 5.074 7.767 ( 1.855 0.000 4.723) 5.074 8.036 ( -3.135 0.000 -5.494) 6.325 8.036 ( 3.135 0.000 5.494) 6.325 8.476 ( 1.685 0.000 -1.229) 2.086 8.476 ( -1.685 0.000 1.229) 2.086 8.834 ( -4.694 0.000 0.110) 4.696 8.834 ( 4.694 0.000 -0.110) 4.696 9.014 ( 4.098 0.000 -13.250) 13.869 9.014 ( -4.098 0.000 13.250) 13.869 9.145 ( -1.576 0.000 -3.073) 3.454 9.145 ( 1.576 0.000 3.073) 3.454 9.194 ( 1.891 0.000 -3.428) 3.915 9.194 ( -1.891 0.000 3.428) 3.915 9.296 ( -4.789 0.000 0.819) 4.859 9.296 ( 4.789 0.000 -0.819) 4.859 9.548 ( 1.071 0.000 -3.893) 4.037 9.548 ( -1.071 0.000 3.893) 4.037 9.796 ( -1.377 0.000 -0.347) 1.420 9.796 ( 1.377 0.000 0.347) 1.420 10.160 ( 2.183 0.000 -1.532) 2.667 10.160 ( -2.183 0.000 1.532) 2.667 10.315 ( -3.261 0.000 -0.986) 3.407 10.315 ( 3.261 0.000 0.986) 3.407 10.449 ( -3.675 0.000 -3.759) 5.257 10.449 ( 3.675 0.000 3.759) 5.257 10.671 ( -3.510 0.000 -3.284) 4.807 10.671 ( 3.510 0.000 3.284) 4.807 10.696 ( 2.695 0.000 -1.080) 2.903 10.696 ( -2.695 0.000 1.080) 2.903 10.824 ( -2.749 0.000 -3.945) 4.808 10.824 ( 2.749 0.000 3.945) 4.808 10.938 ( -0.147 0.000 -0.373) 0.401 10.938 ( 0.147 0.000 0.373) 0.401 11.144 ( -7.665 0.000 -6.142) 9.822 11.144 ( 7.665 0.000 6.142) 9.822 11.348 ( 3.943 0.000 -2.979) 4.942 11.348 ( -3.943 0.000 2.979) 4.942 11.812 ( -1.635 0.000 -2.656) 3.119 11.812 ( 1.635 0.000 2.656) 3.119 11.858 ( -3.814 0.000 0.942) 3.929 11.858 ( 3.814 0.000 -0.942) 3.929 12.294 ( -14.193 0.000 3.683) 14.663 12.294 ( 14.193 0.000 -3.683) 14.663 12.569 ( 0.929 0.000 -4.143) 4.246 12.569 ( -0.929 0.000 4.143) 4.246 13.788 ( -6.475 0.000 -6.182) 8.952 13.788 ( 6.475 0.000 6.182) 8.952 14.195 ( 1.187 0.000 -1.350) 1.798 14.195 ( -1.187 0.000 1.350) 1.798 14.841 ( -0.135 0.000 -9.305) 9.306 14.841 ( 0.135 0.000 9.305) 9.306 15.450 ( -0.039 0.000 -11.978) 11.978 15.450 ( 0.039 0.000 11.978) 11.978 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -10.938 0.000 16.910) 20.139 1.417 ( -6.005 0.000 -17.904) 18.884 1.690 ( -0.291 0.000 -7.653) 7.659 1.830 ( 7.611 0.000 12.238) 14.412 1.935 ( 7.287 0.000 0.535) 7.306 2.168 ( 7.861 0.000 -6.853) 10.429 2.247 ( -4.587 0.000 -8.337) 9.516 2.534 ( -11.218 0.000 8.661) 14.172 2.576 ( -2.155 0.000 5.175) 5.606 2.619 ( 11.144 0.000 4.029) 11.850 2.802 ( 2.919 0.000 -11.543) 11.906 2.836 ( -6.620 0.000 1.891) 6.885 2.883 ( 5.554 0.000 -6.741) 8.735 2.964 ( 8.277 0.000 11.952) 14.538 3.208 ( -3.002 0.000 -7.615) 8.185 3.267 ( 0.858 0.000 3.338) 3.447 3.344 ( 2.417 0.000 -10.302) 10.581 3.349 ( 3.735 0.000 15.095) 15.551 3.432 ( -6.944 0.000 1.021) 7.019 3.579 ( 0.485 0.000 -2.152) 2.206 3.743 ( 6.104 0.000 3.114) 6.852 3.803 ( 7.600 0.000 -0.728) 7.635 3.847 ( 0.156 0.000 -2.161) 2.166 3.952 ( 0.022 0.000 1.148) 1.148 4.165 ( 3.500 0.000 1.340) 3.747 4.192 ( -2.759 0.000 -0.259) 2.771 4.280 ( 1.723 0.000 -1.525) 2.301 4.305 ( -3.282 0.000 -5.164) 6.118 4.360 ( 1.125 0.000 -2.683) 2.909 4.516 ( -1.473 0.000 -2.241) 2.681 4.640 ( 1.670 0.000 2.385) 2.912 4.651 ( -2.251 0.000 5.142) 5.613 4.751 ( 4.210 0.000 8.934) 9.876 4.774 ( 2.931 0.000 -3.405) 4.493 4.871 ( 4.632 0.000 1.181) 4.780 4.913 ( 4.959 0.000 1.913) 5.315 5.053 ( 2.769 0.000 0.753) 2.870 5.057 ( -3.348 0.000 -3.706) 4.994 5.256 ( 2.525 0.000 1.433) 2.903 5.270 ( 4.263 0.000 -2.544) 4.964 5.364 ( 3.521 0.000 -2.287) 4.199 5.420 ( -4.518 0.000 -1.866) 4.889 5.478 ( -4.479 0.000 -1.089) 4.609 5.498 ( 1.356 0.000 -2.948) 3.245 5.642 ( 7.077 0.000 6.138) 9.368 5.673 ( 5.542 0.000 -1.529) 5.749 5.716 ( 3.084 0.000 1.530) 3.443 5.790 ( -2.336 0.000 7.649) 7.998 5.815 ( 6.232 0.000 -5.333) 8.202 5.872 ( 2.401 0.000 -7.820) 8.181 5.915 ( -2.574 0.000 2.952) 3.917 5.990 ( -0.285 0.000 2.905) 2.919 6.096 ( 1.734 0.000 -2.762) 3.261 6.177 ( 2.915 0.000 -1.107) 3.118 6.239 ( 1.358 0.000 -1.708) 2.182 6.289 ( 3.574 0.000 -0.630) 3.629 6.373 ( 5.291 0.000 0.708) 5.338 6.456 ( 8.182 0.000 -1.353) 8.293 6.591 ( -0.163 0.000 -2.943) 2.948 6.613 ( 0.675 0.000 3.812) 3.871 7.412 ( 1.722 0.000 -7.107) 7.312 7.457 ( 5.129 0.000 10.996) 12.133 7.559 ( 0.107 0.000 -6.668) 6.669 7.569 ( 1.386 0.000 -5.759) 5.923 7.610 ( 1.044 0.000 1.852) 2.126 7.639 ( 4.466 0.000 9.546) 10.539 7.786 ( 3.260 0.000 -3.073) 4.480 7.857 ( 6.058 0.000 2.590) 6.589 8.008 ( 0.451 0.000 -5.999) 6.016 8.132 ( 5.813 0.000 3.936) 7.020 8.472 ( 0.478 0.000 1.473) 1.548 8.550 ( 5.071 0.000 -1.498) 5.287 8.685 ( -6.394 0.000 6.620) 9.204 8.891 ( 1.163 0.000 0.393) 1.227 8.924 ( -5.947 0.000 -5.985) 8.437 8.941 ( -0.745 0.000 6.579) 6.621 9.085 ( -7.979 0.000 -0.182) 7.982 9.125 ( -1.447 0.000 -2.209) 2.641 9.266 ( 2.065 0.000 4.044) 4.541 9.270 ( 3.688 0.000 0.169) 3.692 9.323 ( 9.273 0.000 -1.555) 9.402 9.332 ( -1.503 0.000 -1.220) 1.936 9.561 ( 1.959 0.000 1.727) 2.611 9.589 ( 2.606 0.000 -5.997) 6.538 9.804 ( 1.780 0.000 0.648) 1.895 9.846 ( 2.775 0.000 1.555) 3.181 10.134 ( -0.284 0.000 2.318) 2.335 10.163 ( -3.852 0.000 0.274) 3.862 10.277 ( 0.049 0.000 -4.508) 4.509 10.343 ( -1.118 0.000 -0.701) 1.320 10.347 ( -4.669 0.000 -2.574) 5.331 10.492 ( 0.058 0.000 5.461) 5.461 10.591 ( -3.543 0.000 -5.017) 6.142 10.640 ( -2.366 0.000 4.406) 5.002 10.721 ( 0.136 0.000 -2.629) 2.633 10.733 ( 0.008 0.000 2.367) 2.367 10.770 ( -0.632 0.000 0.589) 0.864 10.826 ( -3.636 0.000 1.370) 3.886 10.881 ( -5.156 0.000 -0.611) 5.192 10.902 ( -3.257 0.000 -0.994) 3.405 11.002 ( -1.302 0.000 -2.827) 3.113 11.205 ( 0.373 0.000 1.976) 2.011 11.362 ( 2.265 0.000 2.951) 3.720 11.464 ( 1.918 0.000 -0.834) 2.092 11.713 ( -6.694 0.000 -3.195) 7.417 11.729 ( -5.099 0.000 -5.196) 7.280 11.937 ( 4.800 0.000 5.443) 7.257 12.002 ( 8.108 0.000 -3.730) 8.925 12.129 ( 0.636 0.000 3.299) 3.360 12.538 ( 0.262 0.000 4.019) 4.028 12.583 ( 0.924 0.000 -5.287) 5.368 12.685 ( 21.244 0.000 -8.129) 22.746 13.616 ( -10.687 0.000 -4.856) 11.738 13.901 ( 4.709 0.000 8.337) 9.574 14.164 ( -1.763 0.000 2.283) 2.884 14.208 ( -0.022 0.000 -1.217) 1.218 14.758 ( -6.878 0.000 -7.325) 10.047 14.763 ( -7.253 0.000 9.513) 11.963 15.282 ( -15.252 0.000 -9.633) 18.039 15.286 ( -15.440 0.000 11.403) 19.194 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -4.832 0.000 19.021) 19.625 1.342 ( 0.334 0.000 -21.270) 21.272 1.728 ( 2.252 0.000 -5.810) 6.231 1.966 ( -7.611 0.000 12.152) 14.339 2.018 ( 0.950 0.000 -9.647) 9.694 2.127 ( 0.320 0.000 5.376) 5.386 2.321 ( 9.958 0.000 -10.054) 14.150 2.428 ( -8.751 0.000 -1.178) 8.829 2.459 ( 6.967 0.000 7.065) 9.922 2.711 ( -2.169 0.000 3.329) 3.973 2.714 ( -4.735 0.000 4.864) 6.788 2.850 ( -1.876 0.000 0.079) 1.878 3.038 ( 5.007 0.000 -2.086) 5.424 3.094 ( 2.935 0.000 8.908) 9.379 3.184 ( 4.988 0.000 -5.437) 7.378 3.332 ( 8.855 0.000 2.198) 9.124 3.343 ( 1.269 0.000 -7.270) 7.380 3.433 ( 3.578 0.000 -6.560) 7.473 3.492 ( 4.514 0.000 8.904) 9.982 3.577 ( -0.780 0.000 0.778) 1.101 3.805 ( -2.830 0.000 -5.129) 5.858 3.818 ( 2.042 0.000 1.896) 2.787 3.977 ( 2.995 0.000 1.126) 3.200 3.993 ( 2.043 0.000 4.860) 5.272 4.081 ( -3.101 0.000 3.576) 4.733 4.250 ( 3.014 0.000 -2.943) 4.213 4.279 ( 0.544 0.000 -8.575) 8.592 4.311 ( 2.742 0.000 -5.340) 6.002 4.339 ( -3.427 0.000 -4.544) 5.692 4.469 ( -1.074 0.000 1.990) 2.262 4.664 ( 3.373 0.000 5.231) 6.224 4.678 ( 0.943 0.000 5.247) 5.331 4.761 ( -1.816 0.000 7.710) 7.921 4.841 ( 0.866 0.000 -0.052) 0.867 4.855 ( -11.253 0.000 -5.346) 12.458 4.979 ( -0.165 0.000 3.488) 3.492 5.063 ( 10.912 0.000 2.603) 11.219 5.136 ( 6.329 0.000 -0.244) 6.334 5.296 ( -5.714 0.000 1.157) 5.830 5.350 ( 4.455 0.000 -1.375) 4.662 5.395 ( 3.291 0.000 -4.970) 5.961 5.454 ( 4.054 0.000 2.027) 4.532 5.486 ( -3.235 0.000 -1.872) 3.738 5.505 ( 10.255 0.000 -1.697) 10.394 5.722 ( 1.847 0.000 5.894) 6.176 5.763 ( 0.899 0.000 3.616) 3.726 5.768 ( 0.399 0.000 -2.227) 2.262 5.811 ( -3.325 0.000 -2.922) 4.427 5.868 ( 6.553 0.000 5.442) 8.518 5.881 ( 2.129 0.000 -3.839) 4.390 5.936 ( 3.126 0.000 -9.645) 10.139 5.992 ( 2.741 0.000 0.990) 2.915 6.130 ( 1.161 0.000 0.867) 1.449 6.253 ( 4.366 0.000 -1.962) 4.786 6.312 ( 4.400 0.000 -2.219) 4.928 6.389 ( 5.499 0.000 1.196) 5.627 6.520 ( 8.042 0.000 2.740) 8.496 6.609 ( 4.766 0.000 -1.673) 5.051 6.673 ( 7.849 0.000 1.294) 7.955 6.725 ( 10.875 0.000 -2.228) 11.101 7.472 ( 4.349 0.000 -6.260) 7.622 7.559 ( 1.252 0.000 -0.967) 1.582 7.596 ( 4.296 0.000 6.693) 7.953 7.654 ( 5.844 0.000 -14.122) 15.283 7.657 ( 7.887 0.000 8.635) 11.694 7.729 ( 3.567 0.000 8.013) 8.771 7.896 ( 7.759 0.000 0.411) 7.770 7.987 ( 5.700 0.000 -0.098) 5.700 8.055 ( 4.781 0.000 -4.622) 6.649 8.255 ( 5.523 0.000 2.198) 5.944 8.488 ( 1.830 0.000 2.493) 3.092 8.620 ( -0.143 0.000 -2.370) 2.374 8.666 ( 3.284 0.000 7.847) 8.507 8.860 ( 2.426 0.000 -5.526) 6.035 8.930 ( 1.926 0.000 -4.680) 5.061 8.940 ( -0.650 0.000 5.193) 5.233 8.980 ( -0.933 0.000 4.058) 4.164 9.105 ( 0.155 0.000 -2.574) 2.578 9.291 ( -0.960 0.000 -2.127) 2.334 9.321 ( 2.755 0.000 3.327) 4.320 9.323 ( 1.393 0.000 1.604) 2.125 9.465 ( 4.856 0.000 0.116) 4.857 9.597 ( 1.327 0.000 1.662) 2.127 9.630 ( 1.011 0.000 -5.642) 5.731 9.844 ( 1.610 0.000 0.696) 1.754 9.893 ( 1.757 0.000 1.474) 2.293 10.043 ( -7.292 0.000 -0.939) 7.352 10.134 ( -0.555 0.000 1.183) 1.307 10.175 ( -6.405 0.000 -7.485) 9.851 10.278 ( -4.548 0.000 -0.184) 4.552 10.348 ( 0.682 0.000 -0.478) 0.833 10.438 ( -3.949 0.000 1.930) 4.395 10.540 ( -2.305 0.000 -1.166) 2.583 10.608 ( -1.144 0.000 5.357) 5.478 10.660 ( -4.990 0.000 2.097) 5.413 10.683 ( -2.012 0.000 -2.523) 3.227 10.786 ( -4.543 0.000 -0.199) 4.547 10.802 ( 0.997 0.000 -0.935) 1.366 10.806 ( 2.183 0.000 1.858) 2.866 10.811 ( -5.131 0.000 -0.331) 5.142 11.018 ( 1.705 0.000 1.570) 2.317 11.168 ( -4.653 0.000 -4.510) 6.480 11.357 ( -4.509 0.000 5.508) 7.118 11.425 ( -3.602 0.000 -0.455) 3.630 11.570 ( -5.677 0.000 -3.193) 6.513 11.614 ( -6.255 0.000 -4.470) 7.689 11.912 ( -3.617 0.000 3.989) 5.385 12.134 ( 3.776 0.000 0.178) 3.781 12.323 ( 10.587 0.000 -0.279) 10.590 12.588 ( 5.649 0.000 -3.327) 6.556 12.654 ( 8.034 0.000 -1.018) 8.098 13.128 ( 17.407 0.000 -9.665) 19.910 13.361 ( -10.408 0.000 -5.894) 11.961 13.971 ( 0.647 0.000 8.976) 8.999 14.137 ( -0.201 0.000 5.595) 5.598 14.184 ( -2.851 0.000 -1.763) 3.352 14.587 ( -9.161 0.000 8.552) 12.533 14.606 ( -6.897 0.000 -5.247) 8.666 14.881 ( -21.823 0.000 -6.906) 22.890 14.884 ( -21.961 0.000 9.612) 23.972 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -1.481 0.000 6.223) 6.397 1.421 ( 6.385 0.000 -10.494) 12.284 1.577 ( -20.584 0.000 7.363) 21.861 1.833 ( -11.108 0.000 5.473) 12.383 1.857 ( 6.405 0.000 -11.431) 13.103 2.332 ( 10.255 0.000 9.869) 14.232 2.411 ( 8.444 0.000 -12.687) 15.240 2.592 ( -4.752 0.000 8.192) 9.470 2.620 ( -1.435 0.000 3.660) 3.932 2.634 ( 14.352 0.000 -6.810) 15.886 2.639 ( 6.175 0.000 0.250) 6.180 2.791 ( -1.227 0.000 4.804) 4.958 3.067 ( 0.111 0.000 2.241) 2.243 3.121 ( -1.231 0.000 0.341) 1.277 3.272 ( -0.082 0.000 -3.531) 3.532 3.420 ( -5.606 0.000 -2.333) 6.072 3.447 ( -1.482 0.000 1.081) 1.834 3.461 ( 7.826 0.000 -1.331) 7.939 3.473 ( -4.041 0.000 7.946) 8.914 3.648 ( 6.847 0.000 -0.273) 6.853 3.768 ( -6.553 0.000 -1.313) 6.684 3.799 ( 2.744 0.000 -5.997) 6.595 3.914 ( -1.190 0.000 1.839) 2.191 4.002 ( -1.191 0.000 -2.998) 3.226 4.062 ( -4.785 0.000 4.934) 6.873 4.214 ( -2.082 0.000 -7.644) 7.922 4.273 ( -0.197 0.000 -0.945) 0.965 4.377 ( 0.693 0.000 -4.534) 4.586 4.395 ( 5.964 0.000 -7.218) 9.364 4.491 ( 0.174 0.000 -1.900) 1.908 4.605 ( -5.793 0.000 1.982) 6.122 4.685 ( -2.900 0.000 8.081) 8.586 4.690 ( 2.470 0.000 12.734) 12.972 4.786 ( 4.150 0.000 0.677) 4.205 4.882 ( -1.099 0.000 7.009) 7.095 4.950 ( -0.028 0.000 -3.776) 3.776 5.122 ( -6.874 0.000 1.122) 6.964 5.254 ( 5.231 0.000 -1.339) 5.400 5.330 ( 1.778 0.000 0.999) 2.039 5.362 ( 4.789 0.000 -5.516) 7.305 5.441 ( 2.204 0.000 -5.211) 5.658 5.506 ( 5.748 0.000 4.302) 7.180 5.528 ( 1.372 0.000 3.574) 3.828 5.671 ( 3.407 0.000 -3.299) 4.742 5.734 ( 2.148 0.000 -3.635) 4.222 5.739 ( -1.533 0.000 0.374) 1.578 5.794 ( 2.342 0.000 8.743) 9.051 5.825 ( 0.443 0.000 -0.265) 0.517 5.892 ( -1.159 0.000 2.754) 2.988 5.926 ( 1.020 0.000 -5.899) 5.986 6.030 ( 6.952 0.000 -7.534) 10.252 6.123 ( 5.384 0.000 2.368) 5.882 6.176 ( 4.736 0.000 1.546) 4.982 6.328 ( 2.721 0.000 -1.670) 3.192 6.375 ( 1.732 0.000 -0.459) 1.791 6.469 ( 1.640 0.000 0.615) 1.751 6.673 ( 6.208 0.000 5.227) 8.115 6.699 ( 4.421 0.000 -4.935) 6.625 6.854 ( 8.293 0.000 1.656) 8.457 6.932 ( 7.407 0.000 -2.745) 7.899 7.569 ( 4.268 0.000 -8.481) 9.495 7.616 ( 4.390 0.000 1.447) 4.622 7.635 ( 1.134 0.000 3.131) 3.330 7.788 ( 1.827 0.000 4.804) 5.139 7.811 ( 9.864 0.000 -14.329) 17.396 7.916 ( 13.427 0.000 12.601) 18.414 8.094 ( 6.228 0.000 -1.301) 6.363 8.097 ( 10.830 0.000 0.517) 10.843 8.201 ( 8.683 0.000 -2.055) 8.923 8.346 ( 3.379 0.000 2.206) 4.035 8.537 ( 1.958 0.000 3.626) 4.121 8.587 ( -0.917 0.000 -2.504) 2.666 8.767 ( 5.512 0.000 8.396) 10.043 8.894 ( -3.135 0.000 2.063) 3.753 8.942 ( 3.942 0.000 -6.251) 7.390 8.975 ( 0.076 0.000 5.535) 5.535 9.041 ( 6.100 0.000 -6.170) 8.676 9.134 ( 1.962 0.000 -1.722) 2.610 9.325 ( -1.363 0.000 1.639) 2.132 9.332 ( 5.260 0.000 -1.948) 5.609 9.364 ( 1.031 0.000 1.941) 2.198 9.538 ( 2.861 0.000 1.970) 3.474 9.615 ( -2.291 0.000 -3.927) 4.547 9.631 ( 2.306 0.000 1.177) 2.589 9.847 ( -8.654 0.000 -1.228) 8.740 9.858 ( -0.717 0.000 1.973) 2.099 9.949 ( 1.522 0.000 1.513) 2.146 10.088 ( -3.527 0.000 -0.582) 3.575 10.099 ( -0.043 0.000 -11.286) 11.286 10.178 ( -4.863 0.000 -0.260) 4.870 10.323 ( -2.813 0.000 0.846) 2.937 10.376 ( -2.139 0.000 1.966) 2.905 10.508 ( -0.093 0.000 1.343) 1.346 10.550 ( -5.777 0.000 -1.703) 6.023 10.571 ( -3.121 0.000 3.448) 4.650 10.647 ( -2.018 0.000 -1.256) 2.377 10.684 ( -4.640 0.000 -0.220) 4.645 10.716 ( -2.704 0.000 2.716) 3.832 10.833 ( -0.935 0.000 0.623) 1.124 10.846 ( 2.668 0.000 2.252) 3.491 11.034 ( -6.080 0.000 -5.493) 8.194 11.057 ( 1.590 0.000 4.514) 4.785 11.183 ( -10.368 0.000 5.035) 11.525 11.334 ( -5.937 0.000 -9.775) 11.436 11.490 ( -4.565 0.000 2.182) 5.060 11.493 ( -2.802 0.000 -1.810) 3.336 11.863 ( -0.390 0.000 1.068) 1.137 12.161 ( -1.016 0.000 6.231) 6.314 12.468 ( 5.222 0.000 -2.224) 5.676 12.722 ( 4.109 0.000 -2.922) 5.042 12.914 ( 15.240 0.000 4.036) 15.765 13.024 ( -7.674 0.000 -14.531) 16.433 13.595 ( 17.590 0.000 -10.745) 20.612 13.855 ( -13.192 0.000 8.223) 15.546 14.029 ( -14.260 0.000 -3.710) 14.735 14.161 ( 0.747 0.000 12.985) 13.006 14.424 ( -6.157 0.000 5.872) 8.508 14.480 ( -7.998 0.000 -2.575) 8.403 14.502 ( -12.575 0.000 6.997) 14.391 14.511 ( -8.350 0.000 -6.372) 10.503 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.062 0.000 -4.338) 4.338 1.246 ( -10.228 0.000 6.379) 12.055 1.526 ( 2.743 0.000 2.683) 3.837 1.585 ( -6.269 0.000 -3.608) 7.233 2.126 ( 12.953 0.000 -0.043) 12.953 2.325 ( -7.359 0.000 -1.214) 7.459 2.533 ( 4.491 0.000 -6.733) 8.093 2.646 ( 1.463 0.000 10.881) 10.979 2.672 ( 5.800 0.000 -0.867) 5.864 2.691 ( 0.960 0.000 -2.512) 2.689 2.851 ( 5.296 0.000 8.525) 10.036 2.940 ( 11.221 0.000 -7.156) 13.309 3.024 ( -5.821 0.000 -3.713) 6.904 3.067 ( 4.140 0.000 2.810) 5.003 3.180 ( -8.419 0.000 1.701) 8.589 3.282 ( -12.998 0.000 0.210) 12.999 3.360 ( 2.049 0.000 0.414) 2.090 3.401 ( -1.555 0.000 -1.285) 2.017 3.619 ( 5.711 0.000 2.766) 6.346 3.639 ( -3.126 0.000 -3.210) 4.481 3.702 ( -6.151 0.000 7.056) 9.361 3.748 ( -1.785 0.000 -1.974) 2.661 3.929 ( -2.073 0.000 -1.043) 2.321 3.939 ( -1.498 0.000 -1.134) 1.878 4.100 ( 7.358 0.000 -6.177) 9.607 4.219 ( -4.981 0.000 2.713) 5.672 4.260 ( 7.617 0.000 -10.253) 12.772 4.383 ( 0.305 0.000 -0.163) 0.346 4.466 ( 0.662 0.000 0.298) 0.726 4.484 ( -1.582 0.000 0.226) 1.598 4.535 ( -1.018 0.000 -0.889) 1.352 4.603 ( -4.739 0.000 5.110) 6.969 4.772 ( 2.751 0.000 6.851) 7.382 4.830 ( -0.962 0.000 -0.656) 1.164 4.908 ( 4.017 0.000 7.407) 8.426 4.978 ( -5.100 0.000 -0.539) 5.128 5.004 ( 6.266 0.000 -1.308) 6.401 5.176 ( -8.131 0.000 -1.465) 8.262 5.440 ( 6.767 0.000 -2.831) 7.336 5.476 ( 1.095 0.000 -1.774) 2.085 5.492 ( 2.932 0.000 1.989) 3.543 5.537 ( -0.476 0.000 -1.681) 1.747 5.630 ( 5.662 0.000 -0.518) 5.686 5.699 ( -0.184 0.000 -0.976) 0.993 5.699 ( -1.179 0.000 0.708) 1.375 5.724 ( -3.356 0.000 -1.534) 3.690 5.836 ( 1.393 0.000 6.948) 7.086 5.844 ( 0.781 0.000 -0.006) 0.781 5.887 ( 0.903 0.000 3.614) 3.725 5.918 ( -1.341 0.000 -7.206) 7.330 6.151 ( 3.604 0.000 -6.783) 7.681 6.174 ( 0.715 0.000 5.251) 5.300 6.293 ( 4.655 0.000 0.671) 4.703 6.349 ( -0.875 0.000 -1.427) 1.673 6.413 ( 2.453 0.000 3.130) 3.976 6.463 ( -1.803 0.000 -2.472) 3.059 6.762 ( 2.247 0.000 7.577) 7.903 6.767 ( 1.832 0.000 -7.225) 7.453 6.981 ( 3.878 0.000 2.241) 4.478 7.013 ( 0.930 0.000 -2.647) 2.805 7.628 ( 1.823 0.000 -6.454) 6.707 7.646 ( -0.147 0.000 4.412) 4.415 7.716 ( 4.566 0.000 -0.336) 4.578 7.787 ( -2.058 0.000 1.622) 2.621 8.021 ( 8.999 0.000 -10.550) 13.867 8.093 ( 2.582 0.000 6.960) 7.424 8.243 ( 5.128 0.000 6.001) 7.893 8.257 ( 3.247 0.000 -4.084) 5.218 8.386 ( 7.567 0.000 -3.738) 8.440 8.416 ( 3.343 0.000 3.951) 5.176 8.571 ( 2.350 0.000 1.702) 2.902 8.600 ( 0.862 0.000 1.284) 1.546 8.818 ( -0.173 0.000 1.453) 1.463 8.883 ( -5.450 0.000 -0.143) 5.452 8.911 ( 5.539 0.000 8.780) 10.381 9.041 ( -4.186 0.000 -4.218) 5.942 9.093 ( 5.024 0.000 -7.210) 8.788 9.165 ( 0.064 0.000 0.347) 0.353 9.287 ( -0.606 0.000 -0.588) 0.844 9.342 ( -3.548 0.000 1.699) 3.934 9.463 ( 5.916 0.000 -0.887) 5.982 9.547 ( -2.703 0.000 0.912) 2.853 9.639 ( 5.723 0.000 -2.593) 6.283 9.681 ( 1.625 0.000 0.647) 1.749 9.715 ( -2.198 0.000 -0.557) 2.268 9.786 ( -6.109 0.000 3.259) 6.924 9.995 ( 2.330 0.000 2.488) 3.409 10.034 ( -1.523 0.000 -0.319) 1.556 10.109 ( -1.110 0.000 0.621) 1.272 10.119 ( -0.058 0.000 -10.306) 10.306 10.271 ( -0.694 0.000 2.272) 2.376 10.316 ( -4.042 0.000 -1.320) 4.252 10.468 ( -0.870 0.000 2.360) 2.516 10.496 ( -3.062 0.000 -1.969) 3.640 10.540 ( 2.934 0.000 1.627) 3.355 10.602 ( -2.276 0.000 1.267) 2.604 10.621 ( -1.067 0.000 -0.919) 1.408 10.661 ( -4.444 0.000 1.304) 4.631 10.807 ( 2.341 0.000 -1.980) 3.066 10.891 ( -0.108 0.000 3.803) 3.804 10.966 ( -6.342 0.000 4.521) 7.789 10.967 ( -1.822 0.000 -2.049) 2.742 11.118 ( 2.331 0.000 4.766) 5.305 11.198 ( -5.694 0.000 -10.485) 11.931 11.440 ( -0.918 0.000 2.743) 2.893 11.446 ( -1.449 0.000 -1.523) 2.102 11.919 ( 5.938 0.000 -3.868) 7.087 12.074 ( -7.545 0.000 8.451) 11.329 12.570 ( 4.720 0.000 1.684) 5.012 12.665 ( -5.059 0.000 -4.475) 6.754 13.126 ( 14.011 0.000 -15.259) 20.716 13.245 ( 17.156 0.000 4.371) 17.704 13.487 ( -19.894 0.000 11.093) 22.778 13.635 ( -20.242 0.000 -1.627) 20.307 13.907 ( 12.137 0.000 -16.113) 20.172 14.103 ( -6.941 0.000 16.668) 18.055 14.355 ( -1.154 0.000 2.603) 2.847 14.366 ( -2.246 0.000 -2.709) 3.519 14.395 ( 0.254 0.000 4.803) 4.810 14.432 ( -2.536 0.000 -4.724) 5.361 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.426 -8.528 -17.500) 19.472 1.344 ( 0.426 -8.528 17.500) 19.472 1.912 ( 2.094 8.240 -23.150) 24.662 1.912 ( -2.094 8.240 23.150) 24.662 2.034 ( 1.309 8.233 -13.873) 16.185 2.034 ( -1.309 8.233 13.873) 16.185 2.318 ( -5.121 -7.417 -7.109) 11.480 2.318 ( 5.121 -7.417 7.109) 11.480 2.555 ( 3.822 -10.105 -10.966) 15.394 2.555 ( -3.822 -10.105 10.966) 15.394 2.723 ( -2.898 6.929 -0.958) 7.572 2.723 ( 2.898 6.929 0.958) 7.572 3.021 ( 0.081 6.766 -9.605) 11.749 3.021 ( -0.081 6.766 9.605) 11.749 3.258 ( 1.789 -3.281 -7.488) 8.368 3.258 ( -1.789 -3.281 7.488) 8.368 3.385 ( -5.650 3.059 -4.707) 7.964 3.385 ( 5.650 3.059 4.707) 7.964 3.553 ( 4.155 2.694 -5.401) 7.328 3.553 ( -4.155 2.694 5.401) 7.328 3.719 ( -3.386 4.059 -3.393) 6.281 3.719 ( 3.386 4.059 3.393) 6.281 3.938 ( -2.845 2.470 -4.552) 5.909 3.938 ( 2.845 2.470 4.552) 5.909 4.138 ( -0.805 -4.468 -2.390) 5.131 4.138 ( 0.805 -4.468 2.390) 5.131 4.213 ( -5.055 -3.846 -3.489) 7.247 4.213 ( 5.055 -3.846 3.489) 7.247 4.408 ( -4.000 -7.034 -5.677) 9.885 4.408 ( 4.000 -7.034 5.677) 9.885 4.591 ( -2.231 -0.157 -2.675) 3.487 4.591 ( 2.231 -0.157 2.675) 3.487 4.747 ( -1.699 0.031 -3.072) 3.511 4.747 ( 1.699 0.031 3.072) 3.511 4.825 ( 0.258 -2.115 -4.427) 4.913 4.825 ( -0.258 -2.115 4.427) 4.913 5.041 ( 1.214 1.908 -3.160) 3.886 5.041 ( -1.214 1.908 3.160) 3.886 5.212 ( 0.342 -3.380 -1.750) 3.821 5.212 ( -0.342 -3.380 1.750) 3.821 5.316 ( -2.320 -0.112 -1.825) 2.954 5.316 ( 2.320 -0.112 1.825) 2.954 5.506 ( -4.145 -4.111 -3.917) 7.030 5.506 ( 4.145 -4.111 3.917) 7.030 5.686 ( 0.096 3.670 -0.594) 3.719 5.686 ( -0.096 3.670 0.594) 3.719 5.726 ( 0.673 3.705 -1.135) 3.933 5.726 ( -0.673 3.705 1.135) 3.933 5.822 ( 1.585 -0.313 -6.699) 6.891 5.822 ( -1.585 -0.313 6.699) 6.891 6.007 ( 0.479 3.546 -2.243) 4.223 6.007 ( -0.479 3.546 2.243) 4.223 6.106 ( -2.127 -0.724 -3.427) 4.098 6.106 ( 2.127 -0.724 3.427) 4.098 6.248 ( -0.799 0.253 -0.160) 0.853 6.248 ( 0.799 0.253 0.160) 0.853 6.344 ( -0.857 0.732 -1.353) 1.760 6.344 ( 0.857 0.732 1.353) 1.760 6.603 ( 0.167 -1.285 -5.231) 5.390 6.603 ( -0.167 -1.285 5.231) 5.390 7.369 ( -0.887 -2.135 -3.936) 4.564 7.369 ( 0.887 -2.135 3.936) 4.564 7.589 ( -2.861 2.334 -7.304) 8.184 7.589 ( 2.861 2.334 7.304) 8.184 7.609 ( -1.143 0.966 -3.470) 3.779 7.609 ( 1.143 0.966 3.470) 3.779 7.792 ( -2.516 1.549 -3.426) 4.524 7.792 ( 2.516 1.549 3.426) 4.524 8.095 ( -3.267 5.201 -3.742) 7.192 8.095 ( 3.267 5.201 3.742) 7.192 8.487 ( -1.534 1.102 -3.051) 3.588 8.487 ( 1.534 1.102 3.051) 3.588 8.761 ( -0.557 -7.256 -2.127) 7.582 8.761 ( 0.557 -7.256 2.127) 7.582 8.921 ( 0.671 -4.538 -7.231) 8.563 8.921 ( -0.671 -4.538 7.231) 8.563 9.176 ( -0.938 -0.276 -1.675) 1.939 9.176 ( 0.938 -0.276 1.675) 1.939 9.203 ( -0.280 1.542 -3.285) 3.640 9.203 ( 0.280 1.542 3.285) 3.640 9.341 ( 2.465 4.168 -2.039) 5.254 9.341 ( -2.465 4.168 2.039) 5.254 9.549 ( 0.975 -0.692 -3.400) 3.604 9.549 ( -0.975 -0.692 3.400) 3.604 9.810 ( -0.068 1.106 -1.188) 1.625 9.810 ( 0.068 1.106 1.188) 1.625 10.140 ( 0.959 -1.623 -1.360) 2.324 10.140 ( -0.959 -1.623 1.360) 2.324 10.305 ( -2.512 -0.920 -1.179) 2.923 10.305 ( 2.512 -0.920 1.179) 2.923 10.409 ( -2.296 -2.815 -3.969) 5.380 10.409 ( 2.296 -2.815 3.969) 5.380 10.629 ( -0.173 -2.597 -4.155) 4.902 10.629 ( 0.173 -2.597 4.155) 4.902 10.743 ( 0.269 3.220 -5.889) 6.717 10.743 ( -0.269 3.220 5.889) 6.717 10.809 ( 0.285 -0.896 -2.179) 2.374 10.809 ( -0.285 -0.896 2.179) 2.374 10.913 ( -0.037 -1.598 -1.642) 2.291 10.913 ( 0.037 -1.598 1.642) 2.291 11.086 ( -4.839 -4.944 -4.546) 8.278 11.086 ( 4.839 -4.944 4.546) 8.278 11.380 ( -1.928 3.125 -3.845) 5.317 11.380 ( 1.928 3.125 3.845) 5.317 11.763 ( -4.729 -3.508 -4.883) 7.649 11.763 ( 4.729 -3.508 4.883) 7.649 11.867 ( -1.130 0.499 -1.537) 1.972 11.867 ( 1.130 0.499 1.537) 1.972 12.378 ( -2.551 5.627 -1.709) 6.410 12.378 ( 2.551 5.627 1.709) 6.410 12.590 ( 0.608 1.466 -2.185) 2.701 12.590 ( -0.608 1.466 2.185) 2.701 13.842 ( -4.679 4.506 -5.439) 8.472 13.842 ( 4.679 4.506 5.439) 8.472 14.171 ( 0.783 -2.287 -1.614) 2.907 14.171 ( -0.783 -2.287 1.614) 2.907 14.800 ( -0.153 -2.918 -5.760) 6.459 14.800 ( 0.153 -2.918 5.760) 6.459 15.480 ( -0.045 2.146 -7.505) 7.805 15.480 ( 0.045 2.146 7.505) 7.805 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.786 -3.918 1.364) 4.222 1.358 ( -0.277 -3.387 -4.494) 5.634 1.832 ( -2.630 9.313 14.753) 17.644 1.912 ( 1.461 9.304 -12.517) 15.665 2.068 ( 3.169 5.188 6.541) 8.930 2.128 ( 2.447 -1.659 -11.183) 11.567 2.247 ( 0.643 0.649 -4.017) 4.120 2.403 ( -9.016 -8.693 12.679) 17.822 2.467 ( 5.458 -9.622 0.619) 11.079 2.575 ( -1.176 -9.467 -5.661) 11.093 2.727 ( 2.095 0.039 -2.412) 3.194 2.840 ( 5.250 8.220 3.274) 10.288 3.000 ( -0.416 0.523 6.211) 6.247 3.035 ( 2.955 9.738 -2.439) 10.464 3.210 ( -1.695 -3.310 -1.851) 4.154 3.299 ( 0.121 0.391 1.024) 1.103 3.349 ( -2.830 -1.085 -3.357) 4.523 3.446 ( 3.436 10.154 -2.468) 11.000 3.537 ( 3.708 8.539 7.777) 12.131 3.601 ( 0.690 1.460 -0.202) 1.627 3.638 ( -1.874 -3.133 0.387) 3.671 3.821 ( 6.602 0.546 1.936) 6.902 3.931 ( -0.508 -0.367 0.636) 0.893 3.961 ( -0.350 3.439 -4.900) 5.996 4.120 ( 2.466 -1.101 -2.489) 3.673 4.144 ( -0.761 -5.160 0.887) 5.291 4.210 ( 4.049 -5.621 -1.678) 7.128 4.330 ( 1.663 0.333 1.561) 2.305 4.343 ( 0.322 -4.389 -8.729) 9.775 4.457 ( -0.051 -5.618 2.462) 6.134 4.569 ( 0.319 -2.235 -0.384) 2.290 4.637 ( -0.404 -1.172 2.944) 3.194 4.693 ( 1.277 -0.186 5.689) 5.833 4.838 ( 2.497 0.811 -3.833) 4.646 4.855 ( 4.356 -2.056 1.814) 5.147 4.886 ( 6.046 -0.773 3.610) 7.084 5.063 ( 1.150 2.445 4.480) 5.231 5.090 ( 3.228 2.398 -0.616) 4.068 5.246 ( 2.924 -3.037 1.011) 4.335 5.247 ( 0.181 -0.242 -2.672) 2.689 5.272 ( 3.356 -4.249 0.399) 5.429 5.386 ( 1.936 -2.577 -0.165) 3.227 5.451 ( -0.150 -1.406 -5.177) 5.366 5.567 ( -4.007 2.122 -2.248) 5.060 5.622 ( 1.716 -1.495 1.993) 3.026 5.680 ( -0.799 1.336 1.351) 2.061 5.765 ( 0.748 0.450 4.172) 4.262 5.786 ( 4.046 2.897 -0.762) 5.034 5.850 ( 5.040 0.502 -0.093) 5.066 5.861 ( 2.563 -0.873 -8.215) 8.650 5.988 ( -1.575 5.854 5.216) 7.997 6.016 ( 0.125 3.181 1.450) 3.498 6.098 ( 1.748 -0.373 -3.095) 3.575 6.177 ( 3.273 -0.254 -0.863) 3.395 6.235 ( 1.054 0.365 -2.021) 2.308 6.295 ( 2.849 -0.604 0.176) 2.917 6.384 ( 5.828 0.964 0.197) 5.911 6.442 ( 7.181 -1.114 -0.549) 7.287 6.593 ( 0.824 0.221 0.257) 0.891 6.611 ( 1.862 0.056 -0.903) 2.070 7.361 ( 0.926 -2.672 -2.432) 3.730 7.426 ( 3.846 -3.894 2.069) 5.851 7.551 ( -1.430 0.467 -1.685) 2.259 7.569 ( 0.549 1.667 0.447) 1.811 7.671 ( 2.976 2.540 1.043) 4.050 7.687 ( 5.607 2.299 8.201) 10.197 7.786 ( 2.587 1.475 -5.029) 5.845 7.873 ( 4.716 0.260 0.256) 4.730 8.070 ( 1.052 5.724 -4.573) 7.401 8.194 ( 5.941 4.919 2.088) 7.990 8.453 ( -0.904 -1.297 -0.656) 1.712 8.573 ( 5.197 2.127 1.317) 5.768 8.637 ( -4.038 -3.727 5.174) 7.548 8.836 ( -0.031 -6.382 -0.091) 6.382 8.907 ( -1.128 -1.163 -2.497) 2.977 8.916 ( 0.583 -1.669 3.323) 3.764 9.079 ( -6.918 -0.496 0.581) 6.960 9.100 ( -1.489 -1.156 -0.262) 1.904 9.249 ( 1.685 0.225 -1.901) 2.550 9.281 ( 3.221 -0.463 -0.207) 3.261 9.316 ( 0.793 0.855 1.264) 1.720 9.396 ( 2.356 3.196 0.522) 4.005 9.541 ( 0.890 -1.247 0.481) 1.606 9.601 ( 2.721 0.391 -4.685) 5.431 9.821 ( 1.648 1.397 0.890) 2.337 9.851 ( 2.649 0.244 1.828) 3.227 10.117 ( -1.345 -0.748 0.622) 1.660 10.151 ( -1.192 -1.260 -0.446) 1.791 10.259 ( -2.396 -1.372 -3.696) 4.614 10.332 ( -0.843 -1.514 -1.356) 2.200 10.360 ( -0.319 1.343 -0.100) 1.384 10.441 ( 0.124 -4.327 4.224) 6.048 10.560 ( -4.006 -1.742 -2.514) 5.040 10.624 ( -2.045 -4.791 0.717) 5.259 10.684 ( -2.969 2.702 2.806) 4.898 10.731 ( -2.304 0.781 -2.553) 3.527 10.794 ( -1.912 -1.836 -0.060) 2.652 10.838 ( 0.382 0.734 1.005) 1.302 10.883 ( -2.476 2.036 0.256) 3.216 10.887 ( -2.420 -0.753 -0.264) 2.548 10.981 ( -1.566 -2.095 -2.450) 3.584 11.152 ( 1.784 -5.700 3.101) 6.730 11.320 ( -1.630 0.023 -1.535) 2.239 11.473 ( -0.382 -1.327 -3.028) 3.328 11.688 ( -2.714 1.341 -0.526) 3.073 11.788 ( -4.297 2.246 1.134) 4.979 11.904 ( 6.252 -1.593 4.582) 7.914 11.988 ( 10.533 -2.090 0.722) 10.763 12.293 ( 0.951 12.735 -2.545) 13.022 12.559 ( -1.556 1.468 1.013) 2.366 12.586 ( -0.111 0.278 -3.273) 3.286 12.669 ( 17.015 -2.723 -6.612) 18.456 13.700 ( -9.054 7.380 -4.125) 12.387 13.913 ( 2.117 0.360 6.941) 7.266 14.145 ( -1.314 -1.678 2.098) 2.991 14.177 ( -0.511 -2.563 -1.179) 2.867 14.723 ( -6.410 -2.212 -2.180) 7.122 14.733 ( -6.133 -2.350 3.154) 7.286 15.312 ( -15.293 2.190 -3.978) 15.953 15.316 ( -15.314 2.080 6.492) 16.763 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -3.094 4.228 13.338) 14.330 1.360 ( 0.719 1.273 -16.810) 16.874 1.807 ( -0.499 6.262 -1.520) 6.463 1.958 ( -13.010 -2.039 5.936) 14.445 1.992 ( 2.362 1.289 -4.396) 5.154 2.206 ( -5.519 -0.904 -0.417) 5.608 2.270 ( 5.456 -4.715 0.013) 7.211 2.303 ( 8.287 0.044 -0.139) 8.288 2.484 ( 2.373 -5.208 -4.168) 7.080 2.647 ( 4.530 4.536 9.363) 11.348 2.756 ( -0.451 2.358 -1.185) 2.677 2.925 ( 4.584 -3.811 2.590) 6.500 2.994 ( -2.061 -4.007 2.876) 5.346 3.051 ( -2.562 2.273 0.736) 3.503 3.230 ( 2.225 1.682 1.323) 3.087 3.271 ( 3.663 -0.964 -1.038) 3.928 3.403 ( 3.072 3.789 -3.887) 6.238 3.486 ( 0.828 2.831 -4.328) 5.237 3.561 ( 3.311 2.184 -1.711) 4.320 3.613 ( -0.519 4.822 3.085) 5.748 3.741 ( 7.661 1.357 6.817) 10.344 3.786 ( -7.634 -5.770 -1.789) 9.735 3.974 ( 3.813 0.980 1.481) 4.207 4.072 ( 7.449 3.661 -7.106) 10.926 4.102 ( -2.886 0.696 4.422) 5.326 4.178 ( 0.432 -2.201 -3.676) 4.306 4.310 ( 0.112 -2.482 -4.390) 5.044 4.319 ( 2.040 1.870 -1.966) 3.394 4.342 ( 2.383 -3.496 -6.711) 7.933 4.437 ( -2.759 -0.287 -0.419) 2.805 4.590 ( 0.183 -6.527 8.276) 10.542 4.614 ( 2.295 -4.532 0.960) 5.170 4.753 ( 1.314 3.947 6.707) 7.892 4.865 ( -0.023 2.625 -1.489) 3.018 4.912 ( -2.380 2.017 5.707) 6.505 4.999 ( -1.817 0.900 2.704) 3.380 5.053 ( 7.811 0.076 0.169) 7.814 5.179 ( 5.654 2.949 -0.858) 6.434 5.261 ( -4.399 -1.580 0.067) 4.674 5.304 ( 4.275 -3.667 1.452) 5.816 5.376 ( 4.706 -7.126 -1.915) 8.751 5.433 ( 4.736 -3.386 -2.098) 6.188 5.465 ( -0.376 2.450 -1.582) 2.940 5.487 ( -0.888 -0.600 -5.001) 5.115 5.634 ( 1.731 -2.381 2.483) 3.851 5.694 ( 2.236 -2.386 1.005) 3.421 5.794 ( 2.184 -0.441 5.175) 5.634 5.865 ( 0.705 2.755 -1.145) 3.066 5.880 ( 1.183 -0.907 -7.854) 7.994 5.945 ( 3.196 2.820 3.142) 5.295 5.996 ( 2.265 5.166 -0.701) 5.684 6.052 ( 3.591 5.487 -0.928) 6.623 6.129 ( 1.717 0.201 0.464) 1.790 6.226 ( 2.881 -1.831 -2.242) 4.084 6.303 ( 3.703 -1.025 -2.099) 4.378 6.370 ( 3.948 -2.263 1.836) 4.907 6.545 ( 8.596 1.492 1.972) 8.944 6.585 ( 6.446 -1.096 -0.728) 6.579 6.691 ( 7.807 1.372 -0.186) 7.929 6.732 ( 9.946 0.316 -2.124) 10.175 7.412 ( 4.312 -3.360 -4.518) 7.092 7.528 ( 5.212 -7.301 -0.995) 9.025 7.550 ( 2.781 0.815 1.276) 3.167 7.621 ( 4.069 0.772 5.311) 6.735 7.729 ( 3.018 2.936 -1.917) 4.626 7.802 ( 4.856 3.541 5.749) 8.317 7.900 ( 8.211 1.270 -1.216) 8.397 7.981 ( 6.309 -0.789 -1.253) 6.480 8.135 ( 5.150 6.762 -4.516) 9.625 8.313 ( 4.876 5.127 0.660) 7.106 8.454 ( 1.569 -3.233 0.380) 3.613 8.598 ( -1.607 -2.756 0.656) 3.257 8.673 ( 3.982 1.287 4.338) 6.027 8.814 ( 1.422 -4.440 -1.803) 4.998 8.932 ( 1.969 0.432 -0.621) 2.109 8.940 ( 1.740 -0.221 1.294) 2.180 8.978 ( -1.424 1.213 2.571) 3.180 9.114 ( 2.015 -0.364 -1.096) 2.323 9.242 ( -1.271 -1.183 1.194) 2.107 9.327 ( 1.476 1.618 0.514) 2.250 9.356 ( 2.991 -2.719 0.707) 4.104 9.463 ( 3.245 -0.963 1.983) 3.923 9.556 ( 0.801 0.216 0.032) 0.830 9.650 ( 1.712 1.191 -6.266) 6.604 9.860 ( 1.796 1.323 0.417) 2.269 9.910 ( 3.015 0.677 1.914) 3.634 10.037 ( -5.926 0.419 -0.776) 5.991 10.117 ( -2.553 -1.695 -1.182) 3.284 10.173 ( -4.948 -0.144 -4.982) 7.023 10.298 ( -2.929 0.371 -0.015) 2.952 10.360 ( -0.911 0.609 -0.128) 1.103 10.414 ( -2.410 -1.904 3.111) 4.372 10.495 ( -1.801 -2.844 -2.335) 4.097 10.588 ( -1.558 -4.440 1.717) 5.009 10.624 ( -2.118 1.107 3.699) 4.403 10.672 ( -2.940 -1.119 -1.291) 3.401 10.755 ( -1.787 -1.372 -2.637) 3.468 10.786 ( -3.261 0.779 1.585) 3.708 10.808 ( -4.255 0.747 -0.696) 4.375 10.899 ( 1.383 5.030 2.225) 5.671 10.989 ( 1.093 -2.853 1.463) 3.387 11.149 ( -2.710 -1.293 -1.535) 3.372 11.273 ( -2.938 -5.426 2.081) 6.511 11.390 ( -5.895 -4.116 -7.501) 10.390 11.607 ( -4.754 4.080 1.447) 6.429 11.699 ( -4.235 3.619 1.927) 5.895 11.945 ( -1.654 5.343 3.327) 6.508 12.259 ( 12.035 0.757 1.181) 12.116 12.358 ( 2.712 10.914 -1.231) 11.313 12.564 ( 2.807 -2.460 -2.333) 4.401 12.595 ( 2.884 -2.803 -4.070) 5.722 13.014 ( 13.249 -10.697 -8.669) 19.108 13.498 ( -7.802 11.199 -4.818) 14.474 13.924 ( -1.728 -5.370 6.695) 8.755 14.129 ( -0.636 -0.689 4.904) 4.993 14.141 ( -2.806 -2.582 -0.840) 3.905 14.577 ( -7.004 -0.379 2.053) 7.309 14.594 ( -6.364 -0.946 -1.216) 6.548 14.919 ( -20.929 2.778 -0.959) 21.134 14.922 ( -21.135 2.603 5.694) 22.043 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -2.622 3.982 3.362) 5.834 1.396 ( 2.826 -2.198 -8.027) 8.789 1.571 ( -18.113 0.269 5.760) 19.009 1.757 ( -14.519 -7.207 -2.997) 16.484 1.961 ( 7.564 9.140 -0.872) 11.896 2.281 ( 8.203 -3.951 -3.364) 9.706 2.442 ( 9.824 -0.640 -0.191) 9.846 2.508 ( 6.361 -6.183 0.808) 8.907 2.573 ( 5.931 2.459 4.597) 7.897 2.676 ( -4.189 5.165 3.859) 7.689 2.736 ( 1.926 5.041 -0.455) 5.416 2.935 ( 3.030 7.504 1.604) 8.250 3.014 ( 2.237 -5.790 0.857) 6.266 3.034 ( -2.180 -2.377 0.509) 3.265 3.269 ( 1.041 -3.831 3.095) 5.034 3.344 ( 2.423 -2.485 1.207) 3.674 3.401 ( -2.497 2.445 -0.244) 3.504 3.546 ( 0.873 -2.333 -2.037) 3.218 3.578 ( 0.472 4.412 -0.456) 4.461 3.649 ( 2.814 -0.574 -5.145) 5.892 3.710 ( 2.611 0.225 -3.999) 4.781 3.846 ( -1.068 3.737 -0.475) 3.916 3.962 ( -2.469 3.682 4.615) 6.400 3.998 ( -3.663 2.198 1.781) 4.628 4.086 ( -6.324 1.065 0.056) 6.413 4.195 ( 0.334 -1.569 -7.333) 7.506 4.264 ( -5.088 -3.302 0.693) 6.105 4.349 ( 3.350 -1.368 -6.330) 7.291 4.383 ( -2.722 -1.517 0.448) 3.148 4.469 ( 4.619 -1.252 -5.091) 6.987 4.563 ( 1.995 -1.160 1.799) 2.926 4.729 ( 6.271 -0.904 5.519) 8.403 4.742 ( -5.622 3.583 5.924) 8.919 4.792 ( 1.244 4.348 6.729) 8.108 4.901 ( -3.118 1.014 6.618) 7.386 4.959 ( 0.739 0.283 -3.422) 3.513 5.109 ( -7.463 -0.610 -1.023) 7.557 5.205 ( 4.942 -2.698 -1.411) 5.804 5.318 ( 3.718 -1.653 -1.218) 4.247 5.361 ( -1.166 -3.307 -3.505) 4.958 5.405 ( 5.940 -1.711 -0.896) 6.246 5.485 ( 4.354 1.050 -1.276) 4.657 5.496 ( 2.089 -3.458 1.257) 4.231 5.598 ( 6.837 -3.541 2.942) 8.242 5.707 ( 1.727 -1.048 -1.101) 2.301 5.763 ( 4.161 -0.452 2.610) 4.933 5.820 ( -0.477 2.066 4.218) 4.721 5.870 ( 0.820 2.180 0.030) 2.329 5.908 ( 1.379 -1.038 -4.676) 4.984 5.974 ( -0.369 5.053 -2.515) 5.657 6.039 ( 2.570 3.419 -3.633) 5.612 6.104 ( 1.679 -1.906 2.328) 3.446 6.224 ( 5.703 2.726 0.085) 6.321 6.289 ( 2.942 -3.230 -1.933) 4.778 6.351 ( 1.387 -2.092 -0.239) 2.521 6.432 ( 1.995 -2.687 1.284) 3.585 6.703 ( 6.083 1.834 3.979) 7.497 6.716 ( 5.642 1.447 -2.518) 6.345 6.864 ( 7.992 0.921 0.494) 8.060 6.925 ( 7.276 -0.809 -2.756) 7.822 7.525 ( 5.829 -1.983 -6.725) 9.118 7.603 ( 4.242 -1.596 0.015) 4.532 7.658 ( 3.219 0.998 2.586) 4.248 7.741 ( 7.451 -2.665 1.680) 8.090 7.825 ( 6.016 -2.265 -0.170) 6.430 7.868 ( 3.238 -0.797 0.576) 3.384 8.095 ( 10.155 2.573 -0.458) 10.485 8.167 ( 11.220 1.460 1.807) 11.458 8.254 ( 5.694 5.893 -4.862) 9.529 8.393 ( 3.941 4.221 2.541) 6.308 8.502 ( 1.845 -3.488 -0.068) 3.946 8.570 ( 0.513 -1.939 -0.054) 2.007 8.752 ( 3.777 -0.463 5.004) 6.287 8.848 ( -0.077 -3.922 2.049) 4.425 8.942 ( -1.116 -1.134 1.919) 2.493 8.992 ( 2.865 -2.857 -4.935) 6.381 9.043 ( 6.186 6.286 1.370) 8.925 9.144 ( 0.499 0.442 -0.931) 1.146 9.252 ( 1.661 -2.689 -1.144) 3.362 9.353 ( 1.710 1.984 3.978) 4.763 9.407 ( 1.683 -2.934 1.438) 3.676 9.516 ( 1.974 -3.209 2.300) 4.415 9.592 ( 2.621 2.416 -1.469) 3.855 9.645 ( -2.119 2.081 -4.365) 5.279 9.864 ( -3.271 0.926 -0.547) 3.443 9.906 ( -3.848 3.700 -0.586) 5.370 9.968 ( 0.799 0.239 2.083) 2.243 10.069 ( -3.315 -2.307 -0.861) 4.129 10.089 ( -0.052 1.116 -8.620) 8.692 10.228 ( -2.395 2.647 -1.823) 4.008 10.317 ( -2.619 -1.020 1.760) 3.316 10.363 ( -2.542 -0.316 1.942) 3.214 10.486 ( 0.523 -1.981 0.968) 2.266 10.538 ( -2.510 1.184 -2.989) 4.079 10.589 ( -3.359 -0.987 3.062) 4.651 10.630 ( -1.746 -1.242 -0.736) 2.265 10.691 ( -3.360 -0.736 2.248) 4.109 10.695 ( -3.798 -1.988 2.812) 5.127 10.784 ( 0.451 2.044 -1.277) 2.452 10.912 ( -1.025 3.302 2.439) 4.231 10.978 ( -2.248 -2.198 1.072) 3.321 11.098 ( -0.327 0.180 -2.660) 2.686 11.160 ( -7.632 -1.560 4.844) 9.173 11.286 ( -4.305 -4.373 -7.401) 9.614 11.528 ( -2.661 3.562 -0.788) 4.516 11.617 ( -3.802 6.380 1.950) 7.678 11.883 ( -2.675 5.792 0.880) 6.440 12.326 ( -4.039 12.332 3.418) 13.419 12.452 ( 5.493 -1.775 -0.245) 5.778 12.597 ( -1.293 -11.210 0.755) 11.310 12.733 ( 9.188 -5.304 -8.517) 13.605 13.113 ( 1.829 -5.730 -3.973) 7.208 13.503 ( 3.141 -0.048 -7.222) 7.876 13.825 ( -7.080 -7.240 -2.991) 10.558 14.010 ( -8.739 2.294 4.625) 10.150 14.139 ( -0.496 -2.369 8.584) 8.919 14.460 ( -4.215 2.293 1.906) 5.163 14.487 ( -4.675 0.702 -0.248) 4.734 14.553 ( -11.809 3.595 -1.884) 12.487 14.563 ( -11.716 3.700 4.964) 13.251 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.023 3.150 -4.601) 5.576 1.272 ( -9.387 2.724 5.641) 11.285 1.447 ( 1.744 -6.443 2.036) 6.978 1.511 ( -6.812 -6.464 -3.580) 10.050 2.180 ( 11.059 4.667 0.385) 12.010 2.341 ( -3.579 0.086 -1.379) 3.836 2.511 ( -0.129 -0.773 -4.385) 4.454 2.565 ( -1.515 -3.647 0.986) 4.070 2.677 ( 5.178 -1.096 7.561) 9.229 2.703 ( 3.871 -4.287 0.114) 5.777 2.802 ( 3.818 3.082 1.305) 5.078 2.935 ( -6.292 -2.160 -1.789) 6.889 3.058 ( 6.556 -0.027 1.032) 6.636 3.111 ( 10.336 6.827 -1.402) 12.466 3.244 ( -7.047 1.632 2.037) 7.515 3.343 ( -10.016 2.020 1.937) 10.400 3.402 ( 6.981 5.133 -1.474) 8.790 3.447 ( 1.369 4.819 -3.565) 6.149 3.609 ( -1.869 3.983 4.181) 6.070 3.646 ( -6.216 1.579 0.540) 6.436 3.775 ( 4.515 4.408 -2.162) 6.670 3.837 ( -1.371 -0.352 -1.089) 1.786 3.873 ( -1.791 -2.478 -1.166) 3.272 3.916 ( -6.935 0.164 -1.860) 7.182 4.045 ( 6.360 -3.604 -1.170) 7.404 4.166 ( -1.797 -3.653 -2.916) 5.008 4.205 ( -0.411 -5.050 0.842) 5.136 4.313 ( -5.775 -7.336 3.648) 10.024 4.418 ( 4.440 1.776 -4.749) 6.740 4.508 ( -2.970 1.884 0.294) 3.530 4.595 ( 3.409 1.904 -0.906) 4.008 4.671 ( -1.043 2.652 0.070) 2.851 4.797 ( -1.774 1.538 1.538) 2.807 4.813 ( -1.374 -0.306 4.204) 4.433 4.909 ( 5.262 0.522 7.011) 8.782 4.965 ( -1.764 -0.850 -1.753) 2.628 5.034 ( 3.192 1.932 -0.171) 3.735 5.164 ( -6.591 -2.181 -1.239) 7.052 5.384 ( 4.251 -2.663 -3.407) 6.064 5.414 ( 1.468 -5.063 3.090) 6.111 5.490 ( 2.282 0.837 -1.235) 2.727 5.519 ( -0.147 -0.754 -1.525) 1.708 5.616 ( 6.839 0.172 -0.639) 6.871 5.691 ( 1.741 -1.121 0.986) 2.294 5.717 ( -0.046 0.730 2.346) 2.457 5.768 ( -2.738 2.545 -2.390) 4.436 5.847 ( 2.356 -0.522 4.758) 5.335 5.873 ( -0.361 0.579 -2.352) 2.449 5.925 ( 0.191 1.081 -1.097) 1.552 5.939 ( -1.730 4.592 -0.903) 4.990 6.106 ( 2.434 -1.817 -3.795) 4.861 6.125 ( 0.213 -3.190 3.361) 4.638 6.296 ( 1.997 -2.104 0.286) 2.915 6.322 ( -0.248 -2.962 -2.099) 3.639 6.404 ( 3.491 0.711 1.294) 3.791 6.449 ( -0.579 -0.546 -0.149) 0.810 6.785 ( 2.106 1.588 2.137) 3.394 6.792 ( 1.582 1.658 -1.201) 2.588 6.987 ( 3.741 0.605 1.276) 3.999 7.012 ( 1.429 -0.134 -2.283) 2.697 7.620 ( 3.588 0.143 -5.090) 6.229 7.671 ( -1.291 1.993 3.631) 4.338 7.697 ( 4.525 -1.752 -1.138) 4.984 7.778 ( -2.956 -1.375 2.179) 3.921 7.970 ( 7.794 -3.834 -6.888) 11.086 8.006 ( 4.983 -5.981 4.447) 8.965 8.255 ( 3.836 1.517 1.419) 4.362 8.282 ( 0.175 2.074 -1.812) 2.760 8.405 ( 7.513 1.885 -4.187) 8.805 8.478 ( 0.321 3.235 3.593) 4.846 8.564 ( 6.921 0.267 4.319) 8.162 8.628 ( 3.259 1.288 -1.040) 3.655 8.807 ( 1.313 -0.841 1.365) 2.073 8.854 ( 3.003 -3.467 3.761) 5.932 8.880 ( -4.520 -0.473 2.145) 5.026 8.980 ( -5.563 -5.082 -6.039) 9.657 9.129 ( 1.683 1.432 0.502) 2.266 9.160 ( 0.083 -0.510 0.464) 0.694 9.279 ( 3.239 1.363 -2.337) 4.220 9.365 ( -3.026 2.411 1.323) 4.089 9.465 ( 4.971 -1.117 1.057) 5.203 9.546 ( -1.280 -1.652 0.922) 2.284 9.591 ( 1.331 -1.267 -1.765) 2.548 9.646 ( -0.352 -1.538 1.035) 1.887 9.797 ( -1.287 3.959 0.222) 4.169 9.823 ( -3.774 3.899 -1.298) 5.580 9.971 ( 0.913 -3.023 0.364) 3.179 10.016 ( -2.239 -3.165 -2.961) 4.878 10.134 ( 3.326 4.763 -3.867) 6.978 10.200 ( -2.351 6.221 0.913) 6.713 10.292 ( 0.564 0.340 1.145) 1.321 10.315 ( -1.895 0.696 1.215) 2.356 10.467 ( -1.089 0.866 -2.725) 3.060 10.502 ( -2.941 -1.053 0.287) 3.137 10.547 ( 1.986 0.395 2.082) 2.905 10.594 ( -0.316 -0.638 -2.242) 2.353 10.631 ( -3.234 -2.957 -2.338) 4.967 10.640 ( -2.344 1.576 7.231) 7.763 10.808 ( 2.728 0.585 -3.138) 4.199 10.875 ( -2.116 -1.116 2.657) 3.576 10.952 ( 0.021 0.932 1.459) 1.732 11.011 ( -5.126 1.578 2.137) 5.774 11.129 ( 1.725 0.942 2.338) 3.054 11.189 ( -4.300 -1.183 -6.391) 7.793 11.501 ( 0.315 5.369 -0.712) 5.426 11.543 ( -3.323 8.762 0.975) 9.422 11.917 ( 6.992 -0.296 -1.989) 7.275 12.138 ( -12.692 2.215 4.738) 13.727 12.540 ( 2.892 -0.478 2.523) 3.868 12.568 ( -0.417 -4.603 -3.806) 5.987 12.949 ( 12.267 -11.597 -9.901) 19.571 13.167 ( -3.292 -16.631 8.592) 19.007 13.435 ( -0.821 4.846 -2.727) 5.621 13.622 ( -13.428 -3.225 -4.893) 14.651 13.962 ( 5.095 3.870 -3.511) 7.298 14.080 ( -5.193 -2.030 9.691) 11.180 14.402 ( -1.101 3.606 1.438) 4.035 14.410 ( -1.688 3.245 1.480) 3.946 14.440 ( -1.229 2.987 2.033) 3.816 14.455 ( -2.004 1.663 -3.584) 4.430 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.000 0.000 0.000) 0.000 1.252 ( 0.000 0.000 0.000) 0.000 2.097 ( -0.000 -0.000 -0.000) 0.000 2.097 ( -0.000 -0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 -0.000) 0.000 2.159 ( -0.000 0.000 0.000) 0.000 2.401 ( -0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 -0.000 0.000) 0.000 2.953 ( 0.000 -0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.049 ( -0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 -0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 -0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.644 ( -0.000 0.000 0.000) 0.000 3.644 ( 0.000 -0.000 0.000) 0.000 3.759 ( -0.000 0.000 0.000) 0.000 3.759 ( -0.000 0.000 0.000) 0.000 3.989 ( -0.000 -0.000 -0.000) 0.000 3.989 ( -0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 -0.000) 0.000 4.027 ( -0.000 0.000 0.000) 0.000 4.156 ( 0.000 -0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.606 ( -0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.738 ( -0.000 0.000 0.000) 0.000 4.738 ( -0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 -0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.163 ( -0.000 -0.000 -0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.334 ( -0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 -0.000 0.000) 0.000 5.438 ( -0.000 0.000 0.000) 0.000 5.737 ( -0.000 -0.000 0.000) 0.000 5.737 ( -0.000 0.000 0.000) 0.000 5.752 ( 0.000 -0.000 -0.000) 0.000 5.752 ( -0.000 0.000 -0.000) 0.000 5.821 ( -0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 6.064 ( -0.000 -0.000 -0.000) 0.000 6.064 ( -0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.366 ( -0.000 0.000 0.000) 0.000 6.366 ( -0.000 0.000 0.000) 0.000 6.582 ( -0.000 0.000 0.000) 0.000 6.582 ( -0.000 0.000 0.000) 0.000 7.343 ( -0.000 0.000 0.000) 0.000 7.343 ( 0.000 0.000 0.000) 0.000 7.615 ( -0.000 0.000 -0.000) 0.000 7.615 ( -0.000 0.000 -0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 -0.000 0.000) 0.000 7.809 ( -0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 -0.000 0.000) 0.000 8.515 ( -0.000 0.000 0.000) 0.000 8.634 ( 0.000 -0.000 -0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.877 ( -0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 -0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.219 ( -0.000 0.000 0.000) 0.000 9.219 ( -0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.412 ( -0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.825 ( -0.000 0.000 0.000) 0.000 9.825 ( -0.000 0.000 0.000) 0.000 10.119 ( -0.000 0.000 0.000) 0.000 10.119 ( -0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.385 ( -0.000 -0.000 0.000) 0.000 10.385 ( -0.000 0.000 0.000) 0.000 10.594 ( -0.000 0.000 0.000) 0.000 10.594 ( 0.000 0.000 0.000) 0.000 10.780 ( -0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.812 ( -0.000 -0.000 -0.000) 0.000 10.812 ( -0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 11.426 ( -0.000 0.000 0.000) 0.000 11.426 ( 0.000 -0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 11.717 ( -0.000 0.000 0.000) 0.000 11.872 ( -0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.445 ( -0.000 0.000 0.000) 0.000 12.445 ( -0.000 0.000 0.000) 0.000 12.607 ( -0.000 0.000 0.000) 0.000 12.607 ( -0.000 0.000 0.000) 0.000 13.910 ( -0.000 0.000 0.000) 0.000 13.910 ( -0.000 0.000 0.000) 0.000 14.130 ( -0.000 -0.000 0.000) 0.000 14.130 ( 0.000 0.000 0.000) 0.000 14.764 ( -0.000 -0.000 0.000) 0.000 14.764 ( -0.000 0.000 0.000) 0.000 15.507 ( -0.000 0.000 0.000) 0.000 15.507 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 159 (81/84) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 4.218 -1.294 -1.964) 4.830 1.306 ( 4.218 1.294 -1.964) 4.830 2.013 ( -4.092 -6.404 8.497) 11.400 2.013 ( -4.092 6.404 8.497) 11.400 2.131 ( 0.074 -6.636 -3.624) 7.562 2.131 ( 0.074 6.636 -3.624) 7.562 2.220 ( 0.643 -8.472 -2.895) 8.976 2.220 ( 0.643 8.472 -2.895) 8.976 2.405 ( 4.154 -7.057 -3.135) 8.769 2.405 ( 4.154 7.057 -3.135) 8.769 2.861 ( -4.064 -9.163 4.211) 10.872 2.861 ( -4.064 9.163 4.211) 10.872 3.065 ( -1.831 -8.107 3.032) 8.847 3.065 ( -1.831 8.107 3.032) 8.847 3.241 ( 6.157 -7.617 -4.280) 10.689 3.241 ( 6.157 7.617 -4.280) 10.689 3.415 ( -0.334 -9.163 0.628) 9.191 3.415 ( -0.334 9.163 0.628) 9.191 3.667 ( 2.701 -5.668 -1.444) 6.442 3.667 ( 2.701 5.668 -1.444) 6.442 3.758 ( -0.197 -8.628 3.320) 9.247 3.758 ( -0.197 8.628 3.320) 9.247 3.925 ( -2.722 -6.940 -0.887) 7.507 3.925 ( -2.722 6.940 -0.887) 7.507 4.074 ( 3.689 -4.997 -0.397) 6.224 4.074 ( 3.689 4.997 -0.397) 6.224 4.208 ( 4.758 -6.824 -6.176) 10.361 4.208 ( 4.758 6.824 -6.176) 10.361 4.360 ( 1.801 -3.533 1.610) 4.280 4.360 ( 1.801 3.533 1.610) 4.280 4.591 ( -3.018 -2.755 -0.639) 4.136 4.591 ( -3.018 2.755 -0.639) 4.136 4.763 ( 5.598 -5.620 3.925) 8.850 4.763 ( 5.598 5.620 3.925) 8.850 4.868 ( 4.845 -2.079 2.420) 5.801 4.868 ( 4.845 2.079 2.420) 5.801 5.108 ( 1.477 -1.844 0.891) 2.525 5.108 ( 1.477 1.844 0.891) 2.525 5.212 ( 4.070 -1.666 1.186) 4.555 5.212 ( 4.070 1.666 1.186) 4.555 5.303 ( -1.799 -4.479 -1.342) 5.010 5.303 ( -1.799 4.479 -1.342) 5.010 5.485 ( 2.944 -4.139 -1.466) 5.286 5.485 ( 2.944 4.139 -1.466) 5.286 5.683 ( -4.514 -2.284 0.101) 5.060 5.683 ( -4.514 2.284 0.101) 5.060 5.783 ( 1.817 -1.376 -0.906) 2.453 5.783 ( 1.817 1.376 -0.906) 2.453 5.857 ( 3.903 -0.592 -1.017) 4.077 5.857 ( 3.903 0.592 -1.017) 4.077 6.061 ( 0.882 -2.612 -0.332) 2.777 6.061 ( 0.882 2.612 -0.332) 2.777 6.134 ( 2.420 -4.542 1.005) 5.244 6.134 ( 2.420 4.542 1.005) 5.244 6.258 ( 1.253 -1.825 -0.812) 2.358 6.258 ( 1.253 1.825 -0.812) 2.358 6.415 ( 5.560 -1.744 0.039) 5.827 6.415 ( 5.560 1.744 0.039) 5.827 6.606 ( 2.904 -0.782 -1.365) 3.303 6.606 ( 2.904 0.782 -1.365) 3.303 7.351 ( 1.009 -2.067 0.225) 2.311 7.351 ( 1.009 2.067 0.225) 2.311 7.578 ( -0.992 -1.206 -1.209) 1.975 7.578 ( -0.992 1.206 -1.209) 1.975 7.700 ( 5.016 -0.772 6.292) 8.084 7.700 ( 5.016 0.772 6.292) 8.084 7.845 ( 3.195 -2.902 -3.530) 5.576 7.845 ( 3.195 2.902 -3.530) 5.576 8.203 ( 2.812 -5.319 -1.729) 6.259 8.203 ( 2.812 5.319 -1.729) 6.259 8.509 ( -0.299 -6.636 1.777) 6.877 8.509 ( -0.299 6.636 1.777) 6.877 8.676 ( 2.936 -6.690 0.543) 7.326 8.676 ( 2.936 6.690 0.543) 7.326 8.894 ( 1.555 -0.192 0.573) 1.668 8.894 ( 1.555 0.192 0.573) 1.668 9.080 ( -4.838 -0.751 1.003) 4.998 9.080 ( -4.838 0.751 1.003) 4.998 9.264 ( 2.033 -0.944 -2.162) 3.114 9.264 ( 2.033 0.944 -2.162) 3.114 9.373 ( -1.513 -3.988 2.122) 4.764 9.373 ( -1.513 3.988 2.122) 4.764 9.574 ( 3.205 -3.099 -2.101) 4.928 9.574 ( 3.205 3.099 -2.101) 4.928 9.846 ( 1.841 -0.793 1.320) 2.400 9.846 ( 1.841 0.793 1.320) 2.400 10.122 ( -0.595 -1.148 -0.665) 1.454 10.122 ( -0.595 1.148 -0.665) 1.454 10.266 ( -1.601 -2.907 -1.454) 3.623 10.266 ( -1.601 2.907 -1.454) 3.623 10.392 ( 0.715 -1.385 1.449) 2.128 10.392 ( 0.715 1.385 1.449) 2.128 10.549 ( -3.591 -1.514 -1.084) 4.045 10.549 ( -3.591 1.514 -1.084) 4.045 10.731 ( -3.962 -1.048 -0.580) 4.139 10.731 ( -3.962 1.048 -0.580) 4.139 10.802 ( -0.894 -2.482 1.593) 3.082 10.802 ( -0.894 2.482 1.593) 3.082 10.904 ( 0.052 -2.134 -1.277) 2.487 10.904 ( 0.052 2.134 -1.277) 2.487 11.006 ( 0.255 -6.315 0.895) 6.383 11.006 ( 0.255 6.315 0.895) 6.383 11.392 ( -3.528 -5.159 -3.235) 7.038 11.392 ( -3.528 5.159 -3.235) 7.038 11.761 ( -0.555 -4.066 4.174) 5.853 11.761 ( -0.555 4.066 4.174) 5.853 11.927 ( 8.286 -3.186 1.579) 9.017 11.927 ( 8.286 3.186 1.579) 9.017 12.538 ( 7.573 -9.379 -6.507) 13.699 12.538 ( 7.573 9.379 -6.507) 13.699 12.585 ( -1.323 -0.316 0.041) 1.361 12.585 ( -1.323 0.316 0.041) 1.361 13.859 ( -4.684 -6.294 0.863) 7.893 13.859 ( -4.684 6.294 0.863) 7.893 14.130 ( -0.168 -1.198 0.828) 1.466 14.130 ( -0.168 1.198 0.828) 1.466 14.701 ( -5.514 -0.332 -0.028) 5.524 14.701 ( -5.514 0.332 -0.028) 5.524 15.340 ( -15.247 -0.111 1.530) 15.324 15.340 ( -15.247 0.111 1.530) 15.324 ======================= Grid point 161 (82/84) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.001 -2.011 -2.642) 3.320 1.360 ( 0.001 2.011 -2.642) 3.320 1.907 ( -9.460 -2.977 6.607) 11.916 1.907 ( -9.460 2.977 6.607) 11.916 2.084 ( -2.233 -6.853 -7.808) 10.626 2.084 ( -2.233 6.853 -7.808) 10.626 2.244 ( 6.531 -2.698 0.579) 7.090 2.244 ( 6.531 2.698 0.579) 7.090 2.590 ( 10.157 -9.393 1.163) 13.884 2.590 ( 10.157 9.393 1.163) 13.884 2.838 ( 0.816 -6.207 3.773) 7.309 2.838 ( 0.816 6.207 3.773) 7.309 2.992 ( -2.832 -5.731 1.355) 6.535 2.992 ( -2.832 5.731 1.355) 6.535 3.285 ( -1.031 -1.729 -0.366) 2.046 3.285 ( -1.031 1.729 -0.366) 2.046 3.447 ( 1.139 -1.707 -1.068) 2.313 3.447 ( 1.139 1.707 -1.068) 2.313 3.661 ( -2.834 -4.784 -1.386) 5.730 3.661 ( -2.834 4.784 -1.386) 5.730 3.759 ( 2.436 -5.601 1.311) 6.247 3.759 ( 2.436 5.601 1.311) 6.247 4.005 ( 6.803 -3.947 -2.946) 8.398 4.005 ( 6.803 3.947 -2.946) 8.398 4.166 ( 5.014 -5.561 1.817) 7.705 4.166 ( 5.014 5.561 1.817) 7.705 4.247 ( -3.243 -3.120 -4.526) 6.383 4.247 ( -3.243 3.120 -4.526) 6.383 4.402 ( 3.379 -3.901 -2.391) 5.688 4.402 ( 3.379 3.901 -2.391) 5.688 4.534 ( -0.668 -1.745 2.633) 3.228 4.534 ( -0.668 1.745 2.633) 3.228 4.881 ( 3.358 -5.377 5.780) 8.579 4.881 ( 3.358 5.377 5.780) 8.579 4.955 ( 0.987 -4.384 4.290) 6.212 4.955 ( 0.987 4.384 4.290) 6.212 5.117 ( 0.924 -6.103 -1.954) 6.474 5.117 ( 0.924 6.103 -1.954) 6.474 5.255 ( 0.071 -2.335 -0.769) 2.459 5.255 ( 0.071 2.335 -0.769) 2.459 5.347 ( 5.637 -4.650 1.373) 7.435 5.347 ( 5.637 4.650 1.373) 7.435 5.484 ( -2.963 -0.633 -4.777) 5.657 5.484 ( -2.963 0.633 -4.777) 5.657 5.646 ( 3.235 -2.397 0.239) 4.034 5.646 ( 3.235 2.397 0.239) 4.034 5.814 ( 1.578 -2.485 -0.168) 2.948 5.814 ( 1.578 2.485 -0.168) 2.948 5.945 ( 3.233 -2.378 0.181) 4.018 5.945 ( 3.233 2.378 0.181) 4.018 6.088 ( 1.258 -3.543 0.214) 3.765 6.088 ( 1.258 3.543 0.214) 3.765 6.179 ( 3.038 -4.148 -0.514) 5.168 6.179 ( 3.038 4.148 -0.514) 5.168 6.305 ( 2.465 -2.629 -0.210) 3.610 6.305 ( 2.465 2.629 -0.210) 3.610 6.570 ( 8.545 -0.912 0.424) 8.604 6.570 ( 8.545 0.912 0.424) 8.604 6.723 ( 8.214 -1.329 -1.687) 8.490 6.723 ( 8.214 1.329 -1.687) 8.490 7.406 ( 4.905 -3.275 -1.497) 6.085 7.406 ( 4.905 3.275 -1.497) 6.085 7.593 ( 2.636 -2.650 2.341) 4.411 7.593 ( 2.636 2.650 2.341) 4.411 7.799 ( 3.164 -3.058 2.921) 5.281 7.799 ( 3.164 3.058 2.921) 5.281 7.950 ( 7.947 -2.401 -2.451) 8.656 7.950 ( 7.947 2.401 -2.451) 8.656 8.293 ( 5.620 -7.390 -3.027) 9.765 8.293 ( 5.620 7.390 -3.027) 9.765 8.496 ( -1.195 -6.735 0.033) 6.840 8.496 ( -1.195 6.735 0.033) 6.840 8.724 ( 2.034 -3.605 2.346) 4.757 8.724 ( 2.034 3.605 2.346) 4.757 8.927 ( 1.322 -0.579 1.267) 1.920 8.927 ( 1.322 0.579 1.267) 1.920 9.060 ( 3.163 -4.629 0.279) 5.614 9.060 ( 3.163 4.629 0.279) 5.614 9.268 ( -1.015 -3.571 0.494) 3.745 9.268 ( -1.015 3.571 0.494) 3.745 9.386 ( 2.095 -3.957 2.413) 5.086 9.386 ( 2.095 3.957 2.413) 5.086 9.635 ( 2.734 -3.388 -4.233) 6.072 9.635 ( 2.734 3.388 -4.233) 6.072 9.893 ( 2.490 -1.871 1.440) 3.432 9.893 ( 2.490 1.871 1.440) 3.432 10.072 ( -3.828 -2.473 -0.633) 4.601 10.072 ( -3.828 2.473 -0.633) 4.601 10.212 ( -3.633 -4.734 -2.637) 6.524 10.212 ( -3.633 4.734 -2.637) 6.524 10.399 ( -1.166 -1.407 -0.259) 1.845 10.399 ( -1.166 1.407 -0.259) 1.845 10.494 ( -0.563 -3.284 1.995) 3.884 10.494 ( -0.563 3.284 1.995) 3.884 10.650 ( -3.438 -1.025 -0.643) 3.644 10.650 ( -3.438 1.025 -0.643) 3.644 10.757 ( -3.841 -1.654 -0.210) 4.187 10.757 ( -3.841 1.654 -0.210) 4.187 10.904 ( 0.415 -5.441 1.548) 5.672 10.904 ( 0.415 5.441 1.548) 5.672 11.025 ( 0.714 -7.764 2.521) 8.194 11.025 ( 0.714 7.764 2.521) 8.194 11.289 ( -5.874 -4.774 -6.247) 9.815 11.289 ( -5.874 4.774 -6.247) 9.815 11.691 ( -4.616 -3.224 3.863) 6.828 11.691 ( -4.616 3.224 3.863) 6.828 12.127 ( 7.732 -9.865 3.746) 13.082 12.127 ( 7.732 9.865 3.746) 13.082 12.536 ( -1.569 -0.313 -3.697) 4.029 12.536 ( -1.569 0.313 -3.697) 4.029 12.720 ( 7.305 -16.379 -6.379) 19.035 12.720 ( 7.305 16.379 -6.379) 19.035 13.743 ( -5.834 -11.356 -0.308) 12.771 13.743 ( -5.834 11.356 -0.308) 12.771 14.118 ( -1.216 -0.112 2.822) 3.074 14.118 ( -1.216 0.112 2.822) 3.074 14.579 ( -5.524 -0.461 -0.417) 5.559 14.579 ( -5.524 0.461 -0.417) 5.559 14.953 ( -20.355 -0.067 3.067) 20.585 14.953 ( -20.355 0.067 3.067) 20.585 ======================= Grid point 163 (83/84) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -2.214 -4.963 -2.845) 6.134 1.324 ( -2.214 4.963 -2.845) 6.134 1.618 ( -15.423 -4.855 2.003) 16.293 1.618 ( -15.423 4.855 2.003) 16.293 2.155 ( 6.526 -8.504 -3.249) 11.200 2.155 ( 6.526 8.504 -3.249) 11.200 2.424 ( 9.605 -1.464 0.502) 9.729 2.424 ( 9.605 1.464 0.502) 9.729 2.683 ( -2.356 -4.436 4.647) 6.843 2.683 ( -2.356 4.436 4.647) 6.843 2.874 ( 2.936 -7.391 1.210) 8.044 2.874 ( 2.936 7.391 1.210) 8.044 3.011 ( 2.504 -2.602 1.046) 3.760 3.011 ( 2.504 2.602 1.046) 3.760 3.280 ( 2.943 -4.584 3.311) 6.374 3.280 ( 2.943 4.584 3.311) 6.374 3.464 ( 3.179 -3.949 -3.409) 6.109 3.464 ( 3.179 3.949 -3.409) 6.109 3.596 ( -3.607 -1.642 -3.092) 5.026 3.596 ( -3.607 1.642 -3.092) 5.026 3.835 ( 1.818 -5.954 -3.273) 7.033 3.835 ( 1.818 5.954 -3.273) 7.033 4.055 ( -3.116 -2.007 3.147) 4.862 4.055 ( -3.116 2.007 3.147) 4.862 4.107 ( -3.592 -3.808 -2.457) 5.783 4.107 ( -3.592 3.808 -2.457) 5.783 4.262 ( -3.011 -5.277 0.290) 6.083 4.262 ( -3.011 5.277 0.290) 6.083 4.418 ( 2.609 -3.625 1.240) 4.636 4.418 ( 2.609 3.625 1.240) 4.636 4.617 ( 4.743 -5.789 -3.965) 8.469 4.617 ( 4.743 5.789 -3.965) 8.469 4.854 ( -3.926 -2.739 5.225) 7.087 4.854 ( -3.926 2.739 5.225) 7.087 4.923 ( -0.622 -3.101 4.015) 5.112 4.923 ( -0.622 3.101 4.015) 5.112 5.149 ( -2.315 -3.875 -2.543) 5.181 5.149 ( -2.315 3.875 -2.543) 5.181 5.271 ( 4.467 -0.141 0.471) 4.494 5.271 ( 4.467 0.141 0.471) 4.494 5.451 ( 3.866 -2.515 -3.223) 5.626 5.451 ( 3.866 2.515 -3.223) 5.626 5.515 ( 5.888 -2.897 2.441) 7.001 5.515 ( 5.888 2.897 2.441) 7.001 5.726 ( 2.896 -2.285 -0.493) 3.722 5.726 ( 2.896 2.285 -0.493) 3.722 5.854 ( 1.941 -2.061 0.620) 2.898 5.854 ( 1.941 2.061 0.620) 2.898 5.974 ( -0.256 -4.412 0.871) 4.505 5.974 ( -0.256 4.413 0.871) 4.505 6.106 ( 0.526 -2.567 -2.263) 3.463 6.106 ( 0.526 2.567 -2.263) 3.463 6.230 ( 1.467 -3.354 -0.892) 3.768 6.230 ( 1.467 3.354 -0.892) 3.768 6.368 ( 3.908 -3.438 0.663) 5.247 6.368 ( 3.908 3.438 0.663) 5.247 6.729 ( 6.122 -0.525 1.668) 6.367 6.729 ( 6.122 0.525 1.668) 6.367 6.895 ( 7.529 -1.901 -1.968) 8.010 6.895 ( 7.529 1.901 -1.968) 8.010 7.536 ( 6.608 -3.118 -4.116) 8.386 7.536 ( 6.608 3.118 -4.116) 8.386 7.691 ( 6.237 -2.709 5.477) 8.731 7.691 ( 6.237 2.709 5.477) 8.731 7.828 ( 0.998 -2.689 -1.926) 3.455 7.828 ( 0.998 2.689 -1.926) 3.455 8.158 ( 11.020 -2.249 -0.610) 11.264 8.158 ( 11.020 2.249 -0.610) 11.264 8.393 ( 3.093 -6.653 -3.826) 8.274 8.393 ( 3.093 6.653 -3.826) 8.274 8.497 ( 2.994 -4.964 1.974) 6.123 8.497 ( 2.994 4.964 1.974) 6.123 8.772 ( 2.079 -2.607 2.841) 4.381 8.772 ( 2.079 2.607 2.841) 4.381 8.943 ( -0.148 -1.406 0.272) 1.440 8.943 ( -0.148 1.406 0.272) 1.440 9.140 ( 2.340 -1.662 0.465) 2.908 9.140 ( 2.340 1.662 0.465) 2.908 9.278 ( 3.047 -5.773 0.842) 6.582 9.278 ( 3.047 5.773 0.842) 6.582 9.429 ( 1.900 -4.062 3.299) 5.567 9.429 ( 1.900 4.062 3.299) 5.567 9.661 ( -0.754 -1.406 -4.159) 4.455 9.661 ( -0.754 1.406 -4.159) 4.455 9.911 ( -1.020 -3.423 -1.193) 3.766 9.911 ( -1.020 3.423 -1.193) 3.766 9.999 ( -4.126 -3.864 0.607) 5.686 9.999 ( -4.126 3.864 0.607) 5.686 10.169 ( 1.947 -5.477 -3.770) 6.928 10.169 ( 1.947 5.477 -3.770) 6.928 10.350 ( -2.610 -2.152 -0.482) 3.417 10.350 ( -2.610 2.152 -0.482) 3.417 10.504 ( 0.043 -3.841 4.087) 5.608 10.504 ( 0.043 3.841 4.087) 5.608 10.606 ( -0.651 -1.866 -0.543) 2.050 10.606 ( -0.651 1.866 -0.543) 2.050 10.653 ( -5.560 -0.277 -0.475) 5.587 10.653 ( -5.560 0.277 -0.475) 5.587 10.906 ( -1.298 -5.090 2.414) 5.781 10.906 ( -1.298 5.090 2.414) 5.781 11.010 ( -1.796 -5.971 2.400) 6.681 11.010 ( -1.796 5.971 2.400) 6.681 11.191 ( -2.730 -3.826 -5.006) 6.867 11.191 ( -2.730 3.826 -5.006) 6.867 11.615 ( -2.038 -3.932 1.628) 4.718 11.615 ( -2.038 3.932 1.628) 4.718 12.162 ( -4.783 -17.344 1.601) 18.063 12.162 ( -4.783 17.344 1.601) 18.063 12.538 ( 2.102 -0.678 -3.537) 4.170 12.538 ( 2.102 0.678 -3.537) 4.170 12.814 ( 2.207 -16.331 -1.461) 16.544 12.814 ( 2.207 16.331 -1.461) 16.544 13.638 ( -4.823 -9.368 -6.109) 12.179 13.638 ( -4.823 9.368 -6.109) 12.179 14.077 ( -2.759 -3.375 6.159) 7.545 14.077 ( -2.759 3.375 6.159) 7.545 14.492 ( -2.942 -0.583 -0.641) 3.067 14.492 ( -2.942 0.583 -0.641) 3.067 14.603 ( -11.994 -0.422 3.165) 12.412 14.603 ( -11.994 0.422 3.165) 12.412 ======================= Grid point 165 (84/84) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -0.568 -6.137 -2.579) 6.681 1.296 ( -0.568 6.137 -2.578) 6.681 1.371 ( -6.890 -5.614 1.779) 9.064 1.371 ( -6.890 5.614 1.779) 9.064 2.287 ( 5.526 -4.845 -0.977) 7.414 2.287 ( 5.526 4.845 -0.977) 7.414 2.518 ( -3.956 -1.220 -0.312) 4.152 2.518 ( -3.956 1.220 -0.312) 4.152 2.652 ( 3.853 -0.054 3.424) 5.155 2.652 ( 3.853 0.054 3.424) 5.155 2.879 ( -2.082 -3.735 -0.309) 4.288 2.879 ( -2.082 3.735 -0.309) 4.288 3.112 ( 8.268 -4.050 -1.601) 9.345 3.112 ( 8.268 4.050 -1.601) 9.345 3.305 ( -5.773 -3.910 6.217) 9.342 3.305 ( -5.773 3.910 6.217) 9.342 3.559 ( 5.125 -0.595 -0.357) 5.172 3.559 ( 5.125 0.595 -0.357) 5.172 3.640 ( 9.467 -5.933 -7.001) 13.185 3.640 ( 9.467 5.933 -7.001) 13.185 3.769 ( -5.245 -5.023 -4.444) 8.514 3.769 ( -5.245 5.023 -4.444) 8.514 3.919 ( -9.475 -4.358 4.388) 11.315 3.919 ( -9.475 4.358 4.388) 11.315 4.074 ( -0.786 -4.996 2.672) 5.720 4.074 ( -0.786 4.996 2.672) 5.720 4.168 ( -3.731 -4.233 -0.122) 5.644 4.168 ( -3.731 4.233 -0.122) 5.644 4.495 ( 4.923 -4.265 -2.760) 7.074 4.495 ( 4.923 4.265 -2.760) 7.074 4.638 ( -2.436 -4.265 -1.418) 5.112 4.638 ( -2.436 4.265 -1.418) 5.112 4.826 ( -0.653 -1.953 2.973) 3.616 4.826 ( -0.653 1.953 2.973) 3.616 4.939 ( 2.502 -1.863 2.183) 3.807 4.939 ( 2.502 1.863 2.183) 3.807 5.084 ( -2.708 -3.855 -0.764) 4.772 5.084 ( -2.708 3.855 -0.764) 4.772 5.360 ( 2.721 -0.232 0.499) 2.777 5.360 ( 2.721 0.232 0.499) 2.777 5.520 ( 2.177 -0.737 -0.920) 2.475 5.520 ( 2.177 0.737 -0.920) 2.475 5.629 ( 3.866 -2.183 0.011) 4.439 5.629 ( 3.866 2.183 0.011) 4.439 5.766 ( 1.787 -3.281 0.461) 3.764 5.766 ( 1.787 3.281 0.461) 3.764 5.853 ( -2.399 -2.705 -0.167) 3.620 5.853 ( -2.399 2.705 -0.167) 3.620 5.962 ( -0.012 -2.100 0.331) 2.125 5.962 ( -0.012 2.100 0.331) 2.125 6.107 ( -0.288 -0.286 -1.503) 1.556 6.107 ( -0.288 0.286 -1.503) 1.556 6.258 ( 1.077 -1.156 0.149) 1.587 6.258 ( 1.077 1.156 0.149) 1.587 6.434 ( 1.879 -1.267 0.188) 2.274 6.434 ( 1.879 1.267 0.188) 2.274 6.808 ( 1.705 -0.315 0.866) 1.938 6.808 ( 1.705 0.315 0.866) 1.938 7.003 ( 2.771 -0.748 -0.872) 2.999 7.003 ( 2.771 0.748 -0.872) 2.999 7.649 ( 4.600 -2.429 -3.602) 6.327 7.649 ( 4.600 2.429 -3.602) 6.327 7.727 ( -2.604 -3.125 3.728) 5.517 7.727 ( -2.604 3.125 3.728) 5.517 7.927 ( 6.063 -0.785 -1.132) 6.218 7.927 ( 6.063 0.785 -1.132) 6.218 8.294 ( 1.257 -1.313 -0.611) 1.918 8.294 ( 1.257 1.313 -0.611) 1.918 8.466 ( 3.775 -3.412 -2.630) 5.728 8.466 ( 3.775 3.412 -2.630) 5.728 8.612 ( 6.638 -2.897 4.279) 8.413 8.612 ( 6.638 2.897 4.279) 8.413 8.801 ( 1.802 -0.955 0.860) 2.214 8.801 ( 1.802 0.955 0.860) 2.214 8.896 ( -4.991 -2.449 -0.880) 5.629 8.896 ( -4.991 2.449 -0.880) 5.629 9.142 ( -0.992 -0.750 0.479) 1.333 9.142 ( -0.992 0.750 0.479) 1.333 9.357 ( 2.705 -4.044 -0.263) 4.872 9.357 ( 2.705 4.044 -0.263) 4.872 9.476 ( 2.916 -3.302 1.864) 4.783 9.476 ( 2.916 3.302 1.864) 4.783 9.610 ( -3.207 -1.709 -0.953) 3.757 9.610 ( -3.207 1.709 -0.953) 3.757 9.877 ( -2.483 -2.696 0.330) 3.680 9.877 ( -2.483 2.696 0.330) 3.680 9.932 ( -0.394 -3.323 -3.414) 4.781 9.932 ( -0.394 3.323 -3.414) 4.781 10.239 ( 2.168 -4.050 -0.304) 4.604 10.239 ( 2.168 4.050 -0.304) 4.604 10.316 ( -0.545 -2.711 0.311) 2.782 10.316 ( -0.545 2.711 0.311) 2.782 10.494 ( -0.102 -1.249 1.471) 1.933 10.494 ( -0.102 1.250 1.471) 1.933 10.545 ( -3.354 -2.664 0.252) 4.291 10.545 ( -3.354 2.664 0.252) 4.291 10.627 ( 1.031 -2.504 -0.726) 2.804 10.627 ( 1.031 2.504 -0.726) 2.804 10.844 ( -2.920 -2.048 0.876) 3.672 10.844 ( -2.920 2.048 0.876) 3.672 11.000 ( 0.364 -2.495 1.215) 2.799 11.000 ( 0.364 2.495 1.215) 2.799 11.155 ( -1.148 -1.634 -1.211) 2.335 11.155 ( -1.148 1.634 -1.211) 2.335 11.628 ( 2.569 -4.167 -0.090) 4.896 11.628 ( 2.569 4.167 -0.090) 4.896 12.000 ( -7.695 -10.795 0.033) 13.256 12.000 ( -7.695 10.795 0.033) 13.256 12.605 ( 3.368 -2.217 -2.408) 4.696 12.605 ( 3.368 2.217 -2.408) 4.696 12.822 ( -0.957 -9.368 2.390) 9.715 12.822 ( -0.957 9.368 2.390) 9.715 13.540 ( -3.470 -4.536 -4.857) 7.497 13.540 ( -3.470 4.536 -4.857) 7.497 14.030 ( -1.324 -2.764 3.725) 4.823 14.030 ( -1.324 2.764 3.725) 4.823 14.450 ( -1.110 -0.151 1.153) 1.608 14.450 ( -1.110 0.151 1.153) 1.608 14.475 ( -1.930 -0.136 -0.301) 1.958 14.475 ( -1.930 0.136 -0.301) 1.958 =================== 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 3/25920 10.0 509.711 327.915 266.542 0.000 18.054 0.000 3/25920 20.0 70.582 61.194 37.588 0.000 -0.873 0.000 3/25920 30.0 25.273 23.641 14.661 0.000 -0.846 0.000 3/25920 40.0 13.335 12.736 8.244 0.000 -0.592 0.000 3/25920 50.0 8.561 8.245 5.525 0.000 -0.430 0.000 3/25920 60.0 6.165 5.961 4.094 0.000 -0.329 0.000 3/25920 70.0 4.777 4.625 3.234 0.000 -0.263 0.000 3/25920 80.0 3.889 3.764 2.669 0.000 -0.217 0.000 3/25920 90.0 3.280 3.171 2.273 0.000 -0.184 0.000 3/25920 100.0 2.838 2.740 1.982 0.000 -0.159 0.000 3/25920 110.0 2.505 2.414 1.759 0.000 -0.140 0.000 3/25920 120.0 2.246 2.159 1.584 0.000 -0.125 0.000 3/25920 130.0 2.038 1.955 1.443 0.000 -0.112 0.000 3/25920 140.0 1.868 1.788 1.326 0.000 -0.102 0.000 3/25920 150.0 1.726 1.649 1.229 0.000 -0.094 0.000 3/25920 160.0 1.605 1.531 1.145 0.000 -0.087 0.000 3/25920 170.0 1.502 1.430 1.073 0.000 -0.081 0.000 3/25920 180.0 1.412 1.342 1.010 0.000 -0.076 0.000 3/25920 190.0 1.333 1.265 0.955 0.000 -0.071 0.000 3/25920 200.0 1.263 1.196 0.906 0.000 -0.067 0.000 3/25920 210.0 1.200 1.135 0.861 0.000 -0.064 0.000 3/25920 220.0 1.144 1.080 0.822 0.000 -0.061 0.000 3/25920 230.0 1.093 1.031 0.785 0.000 -0.058 0.000 3/25920 240.0 1.046 0.986 0.752 0.000 -0.055 0.000 3/25920 250.0 1.004 0.945 0.722 0.000 -0.053 0.000 3/25920 260.0 0.965 0.907 0.694 0.000 -0.051 0.000 3/25920 270.0 0.929 0.872 0.669 0.000 -0.049 0.000 3/25920 280.0 0.895 0.840 0.645 0.000 -0.047 0.000 3/25920 290.0 0.864 0.811 0.623 0.000 -0.045 0.000 3/25920 300.0 0.835 0.783 0.602 0.000 -0.044 0.000 3/25920 310.0 0.808 0.757 0.583 0.000 -0.042 0.000 3/25920 320.0 0.783 0.733 0.565 0.000 -0.041 0.000 3/25920 330.0 0.759 0.710 0.548 0.000 -0.040 0.000 3/25920 340.0 0.737 0.689 0.532 0.000 -0.038 0.000 3/25920 350.0 0.716 0.669 0.517 0.000 -0.037 0.000 3/25920 360.0 0.696 0.650 0.502 0.000 -0.036 0.000 3/25920 370.0 0.678 0.633 0.489 0.000 -0.035 0.000 3/25920 380.0 0.660 0.616 0.476 0.000 -0.034 0.000 3/25920 390.0 0.643 0.600 0.464 0.000 -0.033 0.000 3/25920 400.0 0.627 0.585 0.453 0.000 -0.032 0.000 3/25920 410.0 0.612 0.570 0.442 0.000 -0.032 0.000 3/25920 420.0 0.597 0.557 0.431 0.000 -0.031 0.000 3/25920 430.0 0.584 0.544 0.421 0.000 -0.030 0.000 3/25920 440.0 0.570 0.531 0.412 0.000 -0.029 0.000 3/25920 450.0 0.558 0.519 0.403 0.000 -0.029 0.000 3/25920 460.0 0.546 0.508 0.394 0.000 -0.028 0.000 3/25920 470.0 0.534 0.497 0.386 0.000 -0.028 0.000 3/25920 480.0 0.523 0.487 0.378 0.000 -0.027 0.000 3/25920 490.0 0.513 0.477 0.370 0.000 -0.026 0.000 3/25920 500.0 0.502 0.467 0.363 0.000 -0.026 0.000 3/25920 510.0 0.493 0.458 0.356 0.000 -0.025 0.000 3/25920 520.0 0.483 0.449 0.349 0.000 -0.025 0.000 3/25920 530.0 0.474 0.441 0.342 0.000 -0.024 0.000 3/25920 540.0 0.465 0.432 0.336 0.000 -0.024 0.000 3/25920 550.0 0.457 0.424 0.330 0.000 -0.024 0.000 3/25920 560.0 0.449 0.417 0.324 0.000 -0.023 0.000 3/25920 570.0 0.441 0.410 0.319 0.000 -0.023 0.000 3/25920 580.0 0.433 0.402 0.313 0.000 -0.022 0.000 3/25920 590.0 0.426 0.396 0.308 0.000 -0.022 0.000 3/25920 600.0 0.419 0.389 0.303 0.000 -0.022 0.000 3/25920 610.0 0.412 0.383 0.298 0.000 -0.021 0.000 3/25920 620.0 0.406 0.376 0.293 0.000 -0.021 0.000 3/25920 630.0 0.399 0.370 0.288 0.000 -0.020 0.000 3/25920 640.0 0.393 0.365 0.284 0.000 -0.020 0.000 3/25920 650.0 0.387 0.359 0.280 0.000 -0.020 0.000 3/25920 660.0 0.381 0.354 0.275 0.000 -0.020 0.000 3/25920 670.0 0.376 0.348 0.271 0.000 -0.019 0.000 3/25920 680.0 0.370 0.343 0.267 0.000 -0.019 0.000 3/25920 690.0 0.365 0.338 0.264 0.000 -0.019 0.000 3/25920 700.0 0.360 0.333 0.260 0.000 -0.018 0.000 3/25920 710.0 0.354 0.329 0.256 0.000 -0.018 0.000 3/25920 720.0 0.350 0.324 0.253 0.000 -0.018 0.000 3/25920 730.0 0.345 0.320 0.249 0.000 -0.018 0.000 3/25920 740.0 0.340 0.315 0.246 0.000 -0.017 0.000 3/25920 750.0 0.336 0.311 0.243 0.000 -0.017 0.000 3/25920 760.0 0.331 0.307 0.239 0.000 -0.017 0.000 3/25920 770.0 0.327 0.303 0.236 0.000 -0.017 0.000 3/25920 780.0 0.323 0.299 0.233 0.000 -0.017 0.000 3/25920 790.0 0.319 0.295 0.230 0.000 -0.016 0.000 3/25920 800.0 0.315 0.292 0.227 0.000 -0.016 0.000 3/25920 810.0 0.311 0.288 0.225 0.000 -0.016 0.000 3/25920 820.0 0.307 0.284 0.222 0.000 -0.016 0.000 3/25920 830.0 0.303 0.281 0.219 0.000 -0.016 0.000 3/25920 840.0 0.300 0.278 0.217 0.000 -0.015 0.000 3/25920 850.0 0.296 0.274 0.214 0.000 -0.015 0.000 3/25920 860.0 0.293 0.271 0.212 0.000 -0.015 0.000 3/25920 870.0 0.290 0.268 0.209 0.000 -0.015 0.000 3/25920 880.0 0.286 0.265 0.207 0.000 -0.015 0.000 3/25920 890.0 0.283 0.262 0.205 0.000 -0.014 0.000 3/25920 900.0 0.280 0.259 0.202 0.000 -0.014 0.000 3/25920 910.0 0.277 0.256 0.200 0.000 -0.014 0.000 3/25920 920.0 0.274 0.254 0.198 0.000 -0.014 0.000 3/25920 930.0 0.271 0.251 0.196 0.000 -0.014 0.000 3/25920 940.0 0.268 0.248 0.194 0.000 -0.014 0.000 3/25920 950.0 0.265 0.246 0.192 0.000 -0.014 0.000 3/25920 960.0 0.262 0.243 0.190 0.000 -0.013 0.000 3/25920 970.0 0.260 0.240 0.188 0.000 -0.013 0.000 3/25920 980.0 0.257 0.238 0.186 0.000 -0.013 0.000 3/25920 990.0 0.255 0.236 0.184 0.000 -0.013 0.000 3/25920 1000.0 0.252 0.233 0.182 0.000 -0.013 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m946.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:25:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|