----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:56:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.399930695086693 -3.503453560000000 0.000000000000000 b 7.399930695086693 3.503453560000000 0.000000000000000 c -5.753250007147528 0.000000000000000 9.350711059210267 Atomic positions (fractional): *1 La 0.47933715619014 0.23024245036151 0.66885114001875 138.905 *2 La 0.28733318349657 0.78535829873428 0.96223099493301 138.905 3 La 0.21464170126573 0.71266681650344 0.53776900506699 138.905 4 La 0.23024245036151 0.47933715619014 0.16885114001875 138.905 5 La 0.76975754963849 0.52066284380986 0.83114885998125 138.905 6 La 0.78535829873428 0.28733318349657 0.46223099493301 138.905 7 La 0.71266681650343 0.21464170126572 0.03776900506699 138.905 8 La 0.52066284380986 0.76975754963849 0.33114885998125 138.905 *9 Si 0.09430093331752 0.26375600730462 0.31287976159448 28.085 10 Si 0.73624399269538 0.90569906668248 0.18712023840552 28.085 11 Si 0.26375600730462 0.09430093331752 0.81287976159448 28.085 12 Si 0.90569906668248 0.73624399269538 0.68712023840552 28.085 *13 O 0.11053883282319 0.07943766472399 0.15739449144209 15.999 *14 O 0.75085190189361 0.86476430308840 0.55911650778392 15.999 *15 O 0.16434014670572 0.60080350501955 0.68750708231088 15.999 *16 O 0.57444479471802 0.83659977320725 0.16495781382057 15.999 17 O 0.16340022679275 0.42555520528198 0.33504218617943 15.999 *18 O 0.60518748616351 0.42773563553219 0.89477166972164 15.999 19 O 0.57226436446781 0.39481251383649 0.60522833027836 15.999 20 O 0.92056233527601 0.88946116717681 0.34260550855791 15.999 21 O 0.86476430308840 0.75085190189361 0.05911650778392 15.999 22 O 0.39919649498045 0.83565985329428 0.81249291768912 15.999 23 O 0.60080350501955 0.16434014670572 0.18750708231088 15.999 24 O 0.13523569691160 0.24914809810639 0.94088349221608 15.999 25 O 0.07943766472399 0.11053883282319 0.65739449144209 15.999 26 O 0.42773563553219 0.60518748616352 0.39477166972164 15.999 27 O 0.39481251383648 0.57226436446781 0.10522833027836 15.999 28 O 0.83659977320725 0.57444479471802 0.66495781382057 15.999 29 O 0.42555520528198 0.16340022679275 0.83504218617943 15.999 30 O 0.83565985329428 0.39919649498045 0.31249291768912 15.999 31 O 0.24914809810639 0.13523569691160 0.44088349221608 15.999 32 O 0.88946116717681 0.92056233527601 0.84260550855791 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.799861390173387 0.000000000000000 0.000000000000000 b 0.000000000000000 7.006907120000000 0.000000000000000 c -5.753250007147528 0.000000000000000 9.350711059210267 Atomic positions (fractional): *1 La 0.85478980327583 0.37545264708568 0.66885114001875 138.905 > 1 *2 La 0.03634574111542 0.74901255761885 0.96223099493301 138.905 > 2 3 La 0.96365425888458 0.74901255761885 0.53776900506699 138.905 > 3 4 La 0.85478980327583 0.62454735291431 0.16885114001875 138.905 > 4 5 La 0.14521019672417 0.37545264708568 0.83114885998125 138.905 > 5 6 La 0.03634574111542 0.25098744238115 0.46223099493301 138.905 > 6 7 La 0.96365425888458 0.25098744238115 0.03776900506699 138.905 > 7 8 La 0.14521019672417 0.62454735291431 0.33114885998125 138.905 > 8 9 La 0.35478980327583 0.87545264708569 0.66885114001875 138.905 > 1 10 La 0.53634574111542 0.24901255761885 0.96223099493301 138.905 > 2 11 La 0.46365425888458 0.24901255761885 0.53776900506699 138.905 > 3 12 La 0.35478980327583 0.12454735291431 0.16885114001875 138.905 > 4 13 La 0.64521019672417 0.87545264708569 0.83114885998125 138.905 > 5 14 La 0.53634574111542 0.75098744238115 0.46223099493301 138.905 > 6 15 La 0.46365425888458 0.75098744238115 0.03776900506699 138.905 > 7 16 La 0.64521019672417 0.12454735291431 0.33114885998125 138.905 > 8 *17 Si 0.67902847031107 0.58472753699355 0.31287976159448 28.085 > 9 18 Si 0.82097152968893 0.08472753699355 0.18712023840552 28.085 > 10 19 Si 0.17902847031107 0.91527246300645 0.81287976159448 28.085 > 11 20 Si 0.32097152968893 0.41527246300645 0.68712023840552 28.085 > 12 21 Si 0.17902847031107 0.08472753699355 0.31287976159448 28.085 > 9 22 Si 0.32097152968893 0.58472753699355 0.18712023840552 28.085 > 10 23 Si 0.67902847031107 0.41527246300645 0.81287976159448 28.085 > 11 24 Si 0.82097152968893 0.91527246300645 0.68712023840552 28.085 > 12 *25 O 0.59498824877359 0.48444941595040 0.15739449144209 15.999 > 13 *26 O 0.80780810249101 0.05695620059740 0.55911650778392 15.999 > 14 *27 O 0.88257182586263 0.71823167915691 0.68750708231088 15.999 > 15 *28 O 0.70552228396264 0.13107748924461 0.16495781382057 15.999 > 16 29 O 0.79447771603736 0.63107748924461 0.33504218617943 15.999 > 17 *30 O 0.01646156084785 0.41127407468434 0.89477166972164 15.999 > 18 31 O 0.98353843915215 0.41127407468434 0.60522833027836 15.999 > 19 32 O 0.90501175122641 0.98444941595040 0.34260550855791 15.999 > 20 33 O 0.80780810249101 0.94304379940260 0.05911650778392 15.999 > 21 34 O 0.11742817413737 0.71823167915691 0.81249291768912 15.999 > 22 35 O 0.88257182586263 0.28176832084309 0.18750708231088 15.999 > 23 36 O 0.19219189750899 0.05695620059740 0.94088349221608 15.999 > 24 37 O 0.09498824877359 0.01555058404960 0.65739449144209 15.999 > 25 38 O 0.01646156084785 0.58872592531566 0.39477166972164 15.999 > 26 39 O 0.98353843915215 0.58872592531566 0.10522833027836 15.999 > 27 40 O 0.20552228396263 0.36892251075539 0.66495781382057 15.999 > 28 41 O 0.29447771603737 0.86892251075539 0.83504218617943 15.999 > 29 42 O 0.11742817413737 0.28176832084309 0.31249291768912 15.999 > 30 43 O 0.19219189750899 0.94304379940260 0.44088349221608 15.999 > 31 44 O 0.40501175122641 0.51555058404960 0.84260550855791 15.999 > 32 45 O 0.09498824877359 0.98444941595040 0.15739449144209 15.999 > 13 46 O 0.30780810249101 0.55695620059740 0.55911650778392 15.999 > 14 47 O 0.38257182586263 0.21823167915691 0.68750708231088 15.999 > 15 48 O 0.20552228396263 0.63107748924461 0.16495781382057 15.999 > 16 49 O 0.29447771603737 0.13107748924461 0.33504218617943 15.999 > 17 50 O 0.51646156084785 0.91127407468434 0.89477166972164 15.999 > 18 51 O 0.48353843915215 0.91127407468434 0.60522833027836 15.999 > 19 52 O 0.40501175122641 0.48444941595040 0.34260550855791 15.999 > 20 53 O 0.30780810249101 0.44304379940261 0.05911650778392 15.999 > 21 54 O 0.61742817413737 0.21823167915691 0.81249291768912 15.999 > 22 55 O 0.38257182586263 0.78176832084309 0.18750708231088 15.999 > 23 56 O 0.69219189750899 0.55695620059740 0.94088349221608 15.999 > 24 57 O 0.59498824877359 0.51555058404960 0.65739449144209 15.999 > 25 58 O 0.51646156084785 0.08872592531566 0.39477166972164 15.999 > 26 59 O 0.48353843915215 0.08872592531566 0.10522833027836 15.999 > 27 60 O 0.70552228396264 0.86892251075539 0.66495781382057 15.999 > 28 61 O 0.79447771603736 0.36892251075539 0.83504218617943 15.999 > 29 62 O 0.61742817413737 0.78176832084309 0.31249291768912 15.999 > 30 63 O 0.69219189750899 0.44304379940261 0.44088349221608 15.999 > 31 64 O 0.90501175122641 0.01555058404960 0.84260550855791 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.799861390173387 0.000000000000000 0.000000000000000 b 0.000000000000000 14.013814240000000 0.000000000000000 c -5.753250007147528 0.000000000000000 9.350711059210267 Atomic positions (fractional): *1 La 0.85478980327583 0.18772632354284 0.66885114001875 138.905 > 1 2 La 0.85478980327583 0.68772632354284 0.66885114001875 138.905 > 1 *3 La 0.03634574111542 0.37450627880943 0.96223099493301 138.905 > 2 4 La 0.03634574111542 0.87450627880943 0.96223099493301 138.905 > 2 5 La 0.96365425888458 0.37450627880943 0.53776900506699 138.905 > 3 6 La 0.96365425888458 0.87450627880943 0.53776900506699 138.905 > 3 7 La 0.85478980327583 0.31227367645716 0.16885114001875 138.905 > 4 8 La 0.85478980327583 0.81227367645716 0.16885114001875 138.905 > 4 9 La 0.14521019672417 0.18772632354284 0.83114885998125 138.905 > 5 10 La 0.14521019672417 0.68772632354284 0.83114885998125 138.905 > 5 11 La 0.03634574111542 0.12549372119057 0.46223099493301 138.905 > 6 12 La 0.03634574111542 0.62549372119057 0.46223099493301 138.905 > 6 13 La 0.96365425888458 0.12549372119057 0.03776900506699 138.905 > 7 14 La 0.96365425888458 0.62549372119057 0.03776900506699 138.905 > 7 15 La 0.14521019672417 0.31227367645716 0.33114885998125 138.905 > 8 16 La 0.14521019672417 0.81227367645716 0.33114885998125 138.905 > 8 17 La 0.35478980327583 0.43772632354284 0.66885114001875 138.905 > 1 18 La 0.35478980327583 0.93772632354284 0.66885114001875 138.905 > 1 19 La 0.53634574111542 0.12450627880943 0.96223099493301 138.905 > 2 20 La 0.53634574111542 0.62450627880943 0.96223099493301 138.905 > 2 21 La 0.46365425888458 0.12450627880943 0.53776900506699 138.905 > 3 22 La 0.46365425888458 0.62450627880943 0.53776900506699 138.905 > 3 23 La 0.35478980327583 0.06227367645716 0.16885114001875 138.905 > 4 24 La 0.35478980327583 0.56227367645716 0.16885114001875 138.905 > 4 25 La 0.64521019672417 0.43772632354284 0.83114885998125 138.905 > 5 26 La 0.64521019672417 0.93772632354284 0.83114885998125 138.905 > 5 27 La 0.53634574111542 0.37549372119057 0.46223099493301 138.905 > 6 28 La 0.53634574111542 0.87549372119057 0.46223099493301 138.905 > 6 29 La 0.46365425888458 0.37549372119057 0.03776900506699 138.905 > 7 30 La 0.46365425888458 0.87549372119057 0.03776900506699 138.905 > 7 31 La 0.64521019672417 0.06227367645716 0.33114885998125 138.905 > 8 32 La 0.64521019672417 0.56227367645716 0.33114885998125 138.905 > 8 *33 Si 0.67902847031107 0.29236376849677 0.31287976159448 28.085 > 9 34 Si 0.67902847031107 0.79236376849678 0.31287976159448 28.085 > 9 35 Si 0.82097152968893 0.04236376849677 0.18712023840552 28.085 > 10 36 Si 0.82097152968893 0.54236376849678 0.18712023840552 28.085 > 10 37 Si 0.17902847031107 0.45763623150323 0.81287976159448 28.085 > 11 38 Si 0.17902847031107 0.95763623150322 0.81287976159448 28.085 > 11 39 Si 0.32097152968893 0.20763623150322 0.68712023840552 28.085 > 12 40 Si 0.32097152968893 0.70763623150322 0.68712023840552 28.085 > 12 41 Si 0.17902847031107 0.04236376849677 0.31287976159448 28.085 > 9 42 Si 0.17902847031107 0.54236376849678 0.31287976159448 28.085 > 9 43 Si 0.32097152968893 0.29236376849677 0.18712023840552 28.085 > 10 44 Si 0.32097152968893 0.79236376849678 0.18712023840552 28.085 > 10 45 Si 0.67902847031107 0.20763623150322 0.81287976159448 28.085 > 11 46 Si 0.67902847031107 0.70763623150322 0.81287976159448 28.085 > 11 47 Si 0.82097152968893 0.45763623150323 0.68712023840552 28.085 > 12 48 Si 0.82097152968893 0.95763623150322 0.68712023840552 28.085 > 12 *49 O 0.59498824877359 0.24222470797520 0.15739449144209 15.999 > 13 50 O 0.59498824877359 0.74222470797520 0.15739449144209 15.999 > 13 *51 O 0.80780810249101 0.02847810029870 0.55911650778392 15.999 > 14 52 O 0.80780810249101 0.52847810029870 0.55911650778392 15.999 > 14 *53 O 0.88257182586263 0.35911583957846 0.68750708231088 15.999 > 15 54 O 0.88257182586263 0.85911583957846 0.68750708231088 15.999 > 15 *55 O 0.70552228396264 0.06553874462231 0.16495781382057 15.999 > 16 56 O 0.70552228396264 0.56553874462231 0.16495781382057 15.999 > 16 57 O 0.79447771603736 0.31553874462231 0.33504218617943 15.999 > 17 58 O 0.79447771603736 0.81553874462231 0.33504218617943 15.999 > 17 *59 O 0.01646156084785 0.20563703734217 0.89477166972164 15.999 > 18 60 O 0.01646156084785 0.70563703734217 0.89477166972164 15.999 > 18 61 O 0.98353843915215 0.20563703734217 0.60522833027836 15.999 > 19 62 O 0.98353843915215 0.70563703734217 0.60522833027836 15.999 > 19 63 O 0.90501175122641 0.49222470797520 0.34260550855791 15.999 > 20 64 O 0.90501175122641 0.99222470797520 0.34260550855791 15.999 > 20 65 O 0.80780810249101 0.47152189970130 0.05911650778392 15.999 > 21 66 O 0.80780810249101 0.97152189970130 0.05911650778392 15.999 > 21 67 O 0.11742817413737 0.35911583957846 0.81249291768912 15.999 > 22 68 O 0.11742817413737 0.85911583957846 0.81249291768912 15.999 > 22 69 O 0.88257182586263 0.14088416042154 0.18750708231088 15.999 > 23 70 O 0.88257182586263 0.64088416042154 0.18750708231088 15.999 > 23 71 O 0.19219189750899 0.02847810029870 0.94088349221608 15.999 > 24 72 O 0.19219189750899 0.52847810029870 0.94088349221608 15.999 > 24 73 O 0.09498824877359 0.00777529202480 0.65739449144209 15.999 > 25 74 O 0.09498824877359 0.50777529202480 0.65739449144209 15.999 > 25 75 O 0.01646156084785 0.29436296265783 0.39477166972164 15.999 > 26 76 O 0.01646156084785 0.79436296265783 0.39477166972164 15.999 > 26 77 O 0.98353843915215 0.29436296265783 0.10522833027836 15.999 > 27 78 O 0.98353843915215 0.79436296265783 0.10522833027836 15.999 > 27 79 O 0.20552228396263 0.18446125537769 0.66495781382057 15.999 > 28 80 O 0.20552228396263 0.68446125537769 0.66495781382057 15.999 > 28 81 O 0.29447771603737 0.43446125537769 0.83504218617943 15.999 > 29 82 O 0.29447771603737 0.93446125537769 0.83504218617943 15.999 > 29 83 O 0.11742817413737 0.14088416042154 0.31249291768912 15.999 > 30 84 O 0.11742817413737 0.64088416042154 0.31249291768912 15.999 > 30 85 O 0.19219189750899 0.47152189970130 0.44088349221608 15.999 > 31 86 O 0.19219189750899 0.97152189970130 0.44088349221608 15.999 > 31 87 O 0.40501175122641 0.25777529202480 0.84260550855791 15.999 > 32 88 O 0.40501175122641 0.75777529202480 0.84260550855791 15.999 > 32 89 O 0.09498824877359 0.49222470797520 0.15739449144209 15.999 > 13 90 O 0.09498824877359 0.99222470797520 0.15739449144209 15.999 > 13 91 O 0.30780810249101 0.27847810029870 0.55911650778392 15.999 > 14 92 O 0.30780810249101 0.77847810029870 0.55911650778392 15.999 > 14 93 O 0.38257182586263 0.10911583957846 0.68750708231088 15.999 > 15 94 O 0.38257182586263 0.60911583957846 0.68750708231088 15.999 > 15 95 O 0.20552228396263 0.31553874462231 0.16495781382057 15.999 > 16 96 O 0.20552228396263 0.81553874462231 0.16495781382057 15.999 > 16 97 O 0.29447771603737 0.06553874462231 0.33504218617943 15.999 > 17 98 O 0.29447771603737 0.56553874462231 0.33504218617943 15.999 > 17 99 O 0.51646156084785 0.45563703734217 0.89477166972164 15.999 > 18 100 O 0.51646156084785 0.95563703734217 0.89477166972164 15.999 > 18 101 O 0.48353843915215 0.45563703734217 0.60522833027836 15.999 > 19 102 O 0.48353843915215 0.95563703734217 0.60522833027836 15.999 > 19 103 O 0.40501175122641 0.24222470797520 0.34260550855791 15.999 > 20 104 O 0.40501175122641 0.74222470797520 0.34260550855791 15.999 > 20 105 O 0.30780810249101 0.22152189970130 0.05911650778392 15.999 > 21 106 O 0.30780810249101 0.72152189970130 0.05911650778392 15.999 > 21 107 O 0.61742817413737 0.10911583957846 0.81249291768912 15.999 > 22 108 O 0.61742817413737 0.60911583957846 0.81249291768912 15.999 > 22 109 O 0.38257182586263 0.39088416042154 0.18750708231088 15.999 > 23 110 O 0.38257182586263 0.89088416042154 0.18750708231088 15.999 > 23 111 O 0.69219189750899 0.27847810029870 0.94088349221608 15.999 > 24 112 O 0.69219189750899 0.77847810029870 0.94088349221608 15.999 > 24 113 O 0.59498824877359 0.25777529202480 0.65739449144209 15.999 > 25 114 O 0.59498824877359 0.75777529202480 0.65739449144209 15.999 > 25 115 O 0.51646156084785 0.04436296265783 0.39477166972164 15.999 > 26 116 O 0.51646156084785 0.54436296265783 0.39477166972164 15.999 > 26 117 O 0.48353843915215 0.04436296265783 0.10522833027836 15.999 > 27 118 O 0.48353843915215 0.54436296265783 0.10522833027836 15.999 > 27 119 O 0.70552228396264 0.43446125537769 0.66495781382057 15.999 > 28 120 O 0.70552228396264 0.93446125537769 0.66495781382057 15.999 > 28 121 O 0.79447771603736 0.18446125537769 0.83504218617943 15.999 > 29 122 O 0.79447771603736 0.68446125537769 0.83504218617943 15.999 > 29 123 O 0.61742817413737 0.39088416042154 0.31249291768912 15.999 > 30 124 O 0.61742817413737 0.89088416042154 0.31249291768912 15.999 > 30 125 O 0.69219189750899 0.22152189970130 0.44088349221608 15.999 > 31 126 O 0.69219189750899 0.72152189970130 0.44088349221608 15.999 > 31 127 O 0.90501175122641 0.00777529202480 0.84260550855791 15.999 > 32 128 O 0.90501175122641 0.50777529202480 0.84260550855791 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6611231 0.0000000 -0.0526715 0.0000000 3.7272547 0.0000000 -0.0526664 0.0000000 3.8625766 -------------------------- Born effective charges -------------------------- 1 La 4.0240484 0.3974796 -0.0232511 0.4108637 3.8544745 0.1478698 0.1030934 0.0948778 4.2412800 2 La 3.5043985 -0.0436187 -0.3142245 -0.0733552 4.1669214 -0.0030016 -0.3703178 0.0061075 4.4575646 3 La 3.5043985 0.0436187 -0.3142245 0.0733552 4.1669214 0.0030016 -0.3703178 -0.0061075 4.4575646 4 La 4.0240484 -0.3974796 -0.0232511 -0.4108637 3.8544745 -0.1478698 0.1030934 -0.0948778 4.2412800 5 La 4.0240484 -0.3974796 -0.0232511 -0.4108637 3.8544745 -0.1478698 0.1030934 -0.0948778 4.2412800 6 La 3.5043985 0.0436187 -0.3142245 0.0733552 4.1669214 0.0030016 -0.3703178 -0.0061075 4.4575646 7 La 3.5043985 -0.0436187 -0.3142245 -0.0733552 4.1669214 -0.0030016 -0.3703178 0.0061075 4.4575646 8 La 4.0240484 0.3974796 -0.0232511 0.4108637 3.8544745 0.1478698 0.1030934 0.0948778 4.2412800 9 Si 3.4810038 -0.1277287 0.3613732 -0.0134451 3.1398904 -0.1519250 0.1866371 0.0161144 3.0444153 10 Si 3.4810038 0.1277287 0.3613732 0.0134451 3.1398904 0.1519250 0.1866371 -0.0161144 3.0444153 11 Si 3.4810038 0.1277287 0.3613732 0.0134451 3.1398904 0.1519250 0.1866371 -0.0161144 3.0444153 12 Si 3.4810038 -0.1277287 0.3613732 -0.0134451 3.1398904 -0.1519250 0.1866371 0.0161144 3.0444153 13 O -1.4202858 0.2438696 -0.3470167 0.2900116 -2.5179957 -0.4065799 -0.3204608 -0.3679806 -2.6304681 14 O -1.5523558 -0.1339904 -0.2992359 -0.0624520 -2.3955858 0.2632086 -0.1959875 0.2361247 -2.5780885 15 O -2.0272962 0.4659179 0.1974384 0.3720588 -2.6955521 -0.0693489 0.2344370 -0.0717582 -1.9230987 16 O -3.1058518 0.3422618 -0.0258918 0.3285871 -1.3172323 0.1902322 -0.0600992 0.2297812 -2.0638878 17 O -3.1058518 -0.3422618 -0.0258918 -0.3285871 -1.3172323 -0.1902322 -0.0600992 -0.2297812 -2.0638878 18 O -2.9036610 -0.2404836 0.4508084 -0.2961085 -2.2349204 -0.0709516 0.4226978 -0.1535854 -2.5477167 19 O -2.9036610 0.2404836 0.4508084 0.2961085 -2.2349204 0.0709516 0.4226978 0.1535854 -2.5477167 20 O -1.4202858 -0.2438696 -0.3470167 -0.2900116 -2.5179957 0.4065799 -0.3204608 0.3679806 -2.6304681 21 O -1.5523558 0.1339904 -0.2992359 0.0624520 -2.3955858 -0.2632086 -0.1959875 -0.2361247 -2.5780885 22 O -2.0272962 -0.4659179 0.1974384 -0.3720588 -2.6955521 0.0693489 0.2344370 0.0717582 -1.9230987 23 O -2.0272962 -0.4659179 0.1974384 -0.3720588 -2.6955521 0.0693489 0.2344370 0.0717582 -1.9230987 24 O -1.5523558 0.1339904 -0.2992359 0.0624520 -2.3955858 -0.2632086 -0.1959875 -0.2361247 -2.5780885 25 O -1.4202858 -0.2438696 -0.3470167 -0.2900116 -2.5179957 0.4065799 -0.3204608 0.3679806 -2.6304681 26 O -2.9036610 0.2404836 0.4508084 0.2961085 -2.2349204 0.0709516 0.4226978 0.1535854 -2.5477167 27 O -2.9036610 -0.2404836 0.4508084 -0.2961085 -2.2349204 -0.0709516 0.4226978 -0.1535854 -2.5477167 28 O -3.1058518 -0.3422618 -0.0258918 -0.3285871 -1.3172323 -0.1902322 -0.0600992 -0.2297812 -2.0638878 29 O -3.1058518 0.3422618 -0.0258918 0.3285871 -1.3172323 0.1902322 -0.0600992 0.2297812 -2.0638878 30 O -2.0272962 0.4659179 0.1974384 0.3720588 -2.6955521 -0.0693489 0.2344370 -0.0717582 -1.9230987 31 O -1.5523558 -0.1339904 -0.2992359 -0.0624520 -2.3955858 0.2632086 -0.1959875 0.2361247 -2.5780885 32 O -1.4202858 0.2438696 -0.3470167 0.2900116 -2.5179957 -0.4065799 -0.3204608 -0.3679806 -2.6304681 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.476 Solver_block: 200 / 960 - Time: 1.381 Solver_block: 300 / 960 - Time: 1.362 Solver_block: 400 / 960 - Time: 1.383 Solver_block: 500 / 960 - Time: 1.360 Solver_block: 600 / 960 - Time: 1.362 Solver_block: 700 / 960 - Time: 1.382 Solver_block: 800 / 960 - Time: 1.398 Solver_block: 900 / 960 - Time: 1.342 Solver_block: 960 / 960 - Time: 0.875 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.655 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:57:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.399930695086693 -3.503453560000000 0.000000000000000 b 7.399930695086693 3.503453560000000 0.000000000000000 c -5.753250007147528 0.000000000000000 9.350711059210267 Atomic positions (fractional): 1 La 0.47933715619014 0.23024245036151 0.66885114001875 138.905 2 La 0.28733318349657 0.78535829873428 0.96223099493301 138.905 3 La 0.21464170126573 0.71266681650344 0.53776900506699 138.905 4 La 0.23024245036151 0.47933715619014 0.16885114001875 138.905 5 La 0.76975754963849 0.52066284380986 0.83114885998125 138.905 6 La 0.78535829873428 0.28733318349657 0.46223099493301 138.905 7 La 0.71266681650343 0.21464170126572 0.03776900506699 138.905 8 La 0.52066284380986 0.76975754963849 0.33114885998125 138.905 9 Si 0.09430093331752 0.26375600730462 0.31287976159448 28.085 10 Si 0.73624399269538 0.90569906668248 0.18712023840552 28.085 11 Si 0.26375600730462 0.09430093331752 0.81287976159448 28.085 12 Si 0.90569906668248 0.73624399269538 0.68712023840552 28.085 13 O 0.11053883282319 0.07943766472399 0.15739449144209 15.999 14 O 0.75085190189361 0.86476430308840 0.55911650778392 15.999 15 O 0.16434014670572 0.60080350501955 0.68750708231088 15.999 16 O 0.57444479471802 0.83659977320725 0.16495781382057 15.999 17 O 0.16340022679275 0.42555520528198 0.33504218617943 15.999 18 O 0.60518748616351 0.42773563553219 0.89477166972164 15.999 19 O 0.57226436446781 0.39481251383649 0.60522833027836 15.999 20 O 0.92056233527601 0.88946116717681 0.34260550855791 15.999 21 O 0.86476430308840 0.75085190189361 0.05911650778392 15.999 22 O 0.39919649498045 0.83565985329428 0.81249291768912 15.999 23 O 0.60080350501955 0.16434014670572 0.18750708231088 15.999 24 O 0.13523569691160 0.24914809810639 0.94088349221608 15.999 25 O 0.07943766472399 0.11053883282319 0.65739449144209 15.999 26 O 0.42773563553219 0.60518748616352 0.39477166972164 15.999 27 O 0.39481251383648 0.57226436446781 0.10522833027836 15.999 28 O 0.83659977320725 0.57444479471802 0.66495781382057 15.999 29 O 0.42555520528198 0.16340022679275 0.83504218617943 15.999 30 O 0.83565985329428 0.39919649498045 0.31249291768912 15.999 31 O 0.24914809810639 0.13523569691160 0.44088349221608 15.999 32 O 0.88946116717681 0.92056233527601 0.84260550855791 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.799861390173387 0.000000000000000 0.000000000000000 b 0.000000000000000 14.013814240000000 0.000000000000000 c -5.753250007147528 0.000000000000000 9.350711059210267 Atomic positions (fractional): 1 La 0.85478980327583 0.18772632354284 0.66885114001875 138.905 > 1 2 La 0.85478980327583 0.68772632354284 0.66885114001875 138.905 > 1 3 La 0.03634574111542 0.37450627880943 0.96223099493301 138.905 > 3 4 La 0.03634574111542 0.87450627880943 0.96223099493301 138.905 > 3 5 La 0.96365425888458 0.37450627880943 0.53776900506699 138.905 > 5 6 La 0.96365425888458 0.87450627880943 0.53776900506699 138.905 > 5 7 La 0.85478980327583 0.31227367645716 0.16885114001875 138.905 > 7 8 La 0.85478980327583 0.81227367645716 0.16885114001875 138.905 > 7 9 La 0.14521019672417 0.18772632354284 0.83114885998125 138.905 > 9 10 La 0.14521019672417 0.68772632354284 0.83114885998125 138.905 > 9 11 La 0.03634574111542 0.12549372119057 0.46223099493301 138.905 > 11 12 La 0.03634574111542 0.62549372119057 0.46223099493301 138.905 > 11 13 La 0.96365425888458 0.12549372119057 0.03776900506699 138.905 > 13 14 La 0.96365425888458 0.62549372119057 0.03776900506699 138.905 > 13 15 La 0.14521019672417 0.31227367645716 0.33114885998125 138.905 > 15 16 La 0.14521019672417 0.81227367645716 0.33114885998125 138.905 > 15 17 La 0.35478980327583 0.43772632354284 0.66885114001875 138.905 > 1 18 La 0.35478980327583 0.93772632354284 0.66885114001875 138.905 > 1 19 La 0.53634574111542 0.12450627880943 0.96223099493301 138.905 > 3 20 La 0.53634574111542 0.62450627880943 0.96223099493301 138.905 > 3 21 La 0.46365425888458 0.12450627880943 0.53776900506699 138.905 > 5 22 La 0.46365425888458 0.62450627880943 0.53776900506699 138.905 > 5 23 La 0.35478980327583 0.06227367645716 0.16885114001875 138.905 > 7 24 La 0.35478980327583 0.56227367645716 0.16885114001875 138.905 > 7 25 La 0.64521019672417 0.43772632354284 0.83114885998125 138.905 > 9 26 La 0.64521019672417 0.93772632354284 0.83114885998125 138.905 > 9 27 La 0.53634574111542 0.37549372119057 0.46223099493301 138.905 > 11 28 La 0.53634574111542 0.87549372119057 0.46223099493301 138.905 > 11 29 La 0.46365425888458 0.37549372119057 0.03776900506699 138.905 > 13 30 La 0.46365425888458 0.87549372119057 0.03776900506699 138.905 > 13 31 La 0.64521019672417 0.06227367645716 0.33114885998125 138.905 > 15 32 La 0.64521019672417 0.56227367645716 0.33114885998125 138.905 > 15 33 Si 0.67902847031107 0.29236376849677 0.31287976159448 28.085 > 33 34 Si 0.67902847031107 0.79236376849678 0.31287976159448 28.085 > 33 35 Si 0.82097152968893 0.04236376849677 0.18712023840552 28.085 > 35 36 Si 0.82097152968893 0.54236376849678 0.18712023840552 28.085 > 35 37 Si 0.17902847031107 0.45763623150323 0.81287976159448 28.085 > 37 38 Si 0.17902847031107 0.95763623150322 0.81287976159448 28.085 > 37 39 Si 0.32097152968893 0.20763623150322 0.68712023840552 28.085 > 39 40 Si 0.32097152968893 0.70763623150322 0.68712023840552 28.085 > 39 41 Si 0.17902847031107 0.04236376849677 0.31287976159448 28.085 > 33 42 Si 0.17902847031107 0.54236376849678 0.31287976159448 28.085 > 33 43 Si 0.32097152968893 0.29236376849677 0.18712023840552 28.085 > 35 44 Si 0.32097152968893 0.79236376849678 0.18712023840552 28.085 > 35 45 Si 0.67902847031107 0.20763623150322 0.81287976159448 28.085 > 37 46 Si 0.67902847031107 0.70763623150322 0.81287976159448 28.085 > 37 47 Si 0.82097152968893 0.45763623150323 0.68712023840552 28.085 > 39 48 Si 0.82097152968893 0.95763623150322 0.68712023840552 28.085 > 39 49 O 0.59498824877359 0.24222470797520 0.15739449144209 15.999 > 49 50 O 0.59498824877359 0.74222470797520 0.15739449144209 15.999 > 49 51 O 0.80780810249101 0.02847810029870 0.55911650778392 15.999 > 51 52 O 0.80780810249101 0.52847810029870 0.55911650778392 15.999 > 51 53 O 0.88257182586263 0.35911583957846 0.68750708231088 15.999 > 53 54 O 0.88257182586263 0.85911583957846 0.68750708231088 15.999 > 53 55 O 0.70552228396264 0.06553874462231 0.16495781382057 15.999 > 55 56 O 0.70552228396264 0.56553874462231 0.16495781382057 15.999 > 55 57 O 0.79447771603736 0.31553874462231 0.33504218617943 15.999 > 57 58 O 0.79447771603736 0.81553874462231 0.33504218617943 15.999 > 57 59 O 0.01646156084785 0.20563703734217 0.89477166972164 15.999 > 59 60 O 0.01646156084785 0.70563703734217 0.89477166972164 15.999 > 59 61 O 0.98353843915215 0.20563703734217 0.60522833027836 15.999 > 61 62 O 0.98353843915215 0.70563703734217 0.60522833027836 15.999 > 61 63 O 0.90501175122641 0.49222470797520 0.34260550855791 15.999 > 63 64 O 0.90501175122641 0.99222470797520 0.34260550855791 15.999 > 63 65 O 0.80780810249101 0.47152189970130 0.05911650778392 15.999 > 65 66 O 0.80780810249101 0.97152189970130 0.05911650778392 15.999 > 65 67 O 0.11742817413737 0.35911583957846 0.81249291768912 15.999 > 67 68 O 0.11742817413737 0.85911583957846 0.81249291768912 15.999 > 67 69 O 0.88257182586263 0.14088416042154 0.18750708231088 15.999 > 69 70 O 0.88257182586263 0.64088416042154 0.18750708231088 15.999 > 69 71 O 0.19219189750899 0.02847810029870 0.94088349221608 15.999 > 71 72 O 0.19219189750899 0.52847810029870 0.94088349221608 15.999 > 71 73 O 0.09498824877359 0.00777529202480 0.65739449144209 15.999 > 73 74 O 0.09498824877359 0.50777529202480 0.65739449144209 15.999 > 73 75 O 0.01646156084785 0.29436296265783 0.39477166972164 15.999 > 75 76 O 0.01646156084785 0.79436296265783 0.39477166972164 15.999 > 75 77 O 0.98353843915215 0.29436296265783 0.10522833027836 15.999 > 77 78 O 0.98353843915215 0.79436296265783 0.10522833027836 15.999 > 77 79 O 0.20552228396263 0.18446125537769 0.66495781382057 15.999 > 79 80 O 0.20552228396263 0.68446125537769 0.66495781382057 15.999 > 79 81 O 0.29447771603737 0.43446125537769 0.83504218617943 15.999 > 81 82 O 0.29447771603737 0.93446125537769 0.83504218617943 15.999 > 81 83 O 0.11742817413737 0.14088416042154 0.31249291768912 15.999 > 83 84 O 0.11742817413737 0.64088416042154 0.31249291768912 15.999 > 83 85 O 0.19219189750899 0.47152189970130 0.44088349221608 15.999 > 85 86 O 0.19219189750899 0.97152189970130 0.44088349221608 15.999 > 85 87 O 0.40501175122641 0.25777529202480 0.84260550855791 15.999 > 87 88 O 0.40501175122641 0.75777529202480 0.84260550855791 15.999 > 87 89 O 0.09498824877359 0.49222470797520 0.15739449144209 15.999 > 49 90 O 0.09498824877359 0.99222470797520 0.15739449144209 15.999 > 49 91 O 0.30780810249101 0.27847810029870 0.55911650778392 15.999 > 51 92 O 0.30780810249101 0.77847810029870 0.55911650778392 15.999 > 51 93 O 0.38257182586263 0.10911583957846 0.68750708231088 15.999 > 53 94 O 0.38257182586263 0.60911583957846 0.68750708231088 15.999 > 53 95 O 0.20552228396263 0.31553874462231 0.16495781382057 15.999 > 55 96 O 0.20552228396263 0.81553874462231 0.16495781382057 15.999 > 55 97 O 0.29447771603737 0.06553874462231 0.33504218617943 15.999 > 57 98 O 0.29447771603737 0.56553874462231 0.33504218617943 15.999 > 57 99 O 0.51646156084785 0.45563703734217 0.89477166972164 15.999 > 59 100 O 0.51646156084785 0.95563703734217 0.89477166972164 15.999 > 59 101 O 0.48353843915215 0.45563703734217 0.60522833027836 15.999 > 61 102 O 0.48353843915215 0.95563703734217 0.60522833027836 15.999 > 61 103 O 0.40501175122641 0.24222470797520 0.34260550855791 15.999 > 63 104 O 0.40501175122641 0.74222470797520 0.34260550855791 15.999 > 63 105 O 0.30780810249101 0.22152189970130 0.05911650778392 15.999 > 65 106 O 0.30780810249101 0.72152189970130 0.05911650778392 15.999 > 65 107 O 0.61742817413737 0.10911583957846 0.81249291768912 15.999 > 67 108 O 0.61742817413737 0.60911583957846 0.81249291768912 15.999 > 67 109 O 0.38257182586263 0.39088416042154 0.18750708231088 15.999 > 69 110 O 0.38257182586263 0.89088416042154 0.18750708231088 15.999 > 69 111 O 0.69219189750899 0.27847810029870 0.94088349221608 15.999 > 71 112 O 0.69219189750899 0.77847810029870 0.94088349221608 15.999 > 71 113 O 0.59498824877359 0.25777529202480 0.65739449144209 15.999 > 73 114 O 0.59498824877359 0.75777529202480 0.65739449144209 15.999 > 73 115 O 0.51646156084785 0.04436296265783 0.39477166972164 15.999 > 75 116 O 0.51646156084785 0.54436296265783 0.39477166972164 15.999 > 75 117 O 0.48353843915215 0.04436296265783 0.10522833027836 15.999 > 77 118 O 0.48353843915215 0.54436296265783 0.10522833027836 15.999 > 77 119 O 0.70552228396264 0.43446125537769 0.66495781382057 15.999 > 79 120 O 0.70552228396264 0.93446125537769 0.66495781382057 15.999 > 79 121 O 0.79447771603736 0.18446125537769 0.83504218617943 15.999 > 81 122 O 0.79447771603736 0.68446125537769 0.83504218617943 15.999 > 81 123 O 0.61742817413737 0.39088416042154 0.31249291768912 15.999 > 83 124 O 0.61742817413737 0.89088416042154 0.31249291768912 15.999 > 83 125 O 0.69219189750899 0.22152189970130 0.44088349221608 15.999 > 85 126 O 0.69219189750899 0.72152189970130 0.44088349221608 15.999 > 85 127 O 0.90501175122641 0.00777529202480 0.84260550855791 15.999 > 87 128 O 0.90501175122641 0.50777529202480 0.84260550855791 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6611231 0.0000000 -0.0526715 0.0000000 3.7272547 0.0000000 -0.0526664 0.0000000 3.8625766 -------------------------- Born effective charges -------------------------- 1 La 4.0240484 0.3974796 -0.0232511 0.4108637 3.8544745 0.1478698 0.1030934 0.0948778 4.2412800 2 La 3.5043985 -0.0436187 -0.3142245 -0.0733552 4.1669214 -0.0030016 -0.3703178 0.0061075 4.4575646 3 La 3.5043985 0.0436187 -0.3142245 0.0733552 4.1669214 0.0030016 -0.3703178 -0.0061075 4.4575646 4 La 4.0240484 -0.3974796 -0.0232511 -0.4108637 3.8544745 -0.1478698 0.1030934 -0.0948778 4.2412800 5 La 4.0240484 -0.3974796 -0.0232511 -0.4108637 3.8544745 -0.1478698 0.1030934 -0.0948778 4.2412800 6 La 3.5043985 0.0436187 -0.3142245 0.0733552 4.1669214 0.0030016 -0.3703178 -0.0061075 4.4575646 7 La 3.5043985 -0.0436187 -0.3142245 -0.0733552 4.1669214 -0.0030016 -0.3703178 0.0061075 4.4575646 8 La 4.0240484 0.3974796 -0.0232511 0.4108637 3.8544745 0.1478698 0.1030934 0.0948778 4.2412800 9 Si 3.4810038 -0.1277287 0.3613732 -0.0134451 3.1398904 -0.1519250 0.1866371 0.0161144 3.0444153 10 Si 3.4810038 0.1277287 0.3613732 0.0134451 3.1398904 0.1519250 0.1866371 -0.0161144 3.0444153 11 Si 3.4810038 0.1277287 0.3613732 0.0134451 3.1398904 0.1519250 0.1866371 -0.0161144 3.0444153 12 Si 3.4810038 -0.1277287 0.3613732 -0.0134451 3.1398904 -0.1519250 0.1866371 0.0161144 3.0444153 13 O -1.4202858 0.2438696 -0.3470167 0.2900116 -2.5179957 -0.4065799 -0.3204608 -0.3679806 -2.6304681 14 O -1.5523558 -0.1339904 -0.2992359 -0.0624520 -2.3955858 0.2632086 -0.1959875 0.2361247 -2.5780885 15 O -2.0272962 0.4659179 0.1974384 0.3720588 -2.6955521 -0.0693489 0.2344370 -0.0717582 -1.9230987 16 O -3.1058518 0.3422618 -0.0258918 0.3285871 -1.3172323 0.1902322 -0.0600992 0.2297812 -2.0638878 17 O -3.1058518 -0.3422618 -0.0258918 -0.3285871 -1.3172323 -0.1902322 -0.0600992 -0.2297812 -2.0638878 18 O -2.9036610 -0.2404836 0.4508084 -0.2961085 -2.2349204 -0.0709516 0.4226978 -0.1535854 -2.5477167 19 O -2.9036610 0.2404836 0.4508084 0.2961085 -2.2349204 0.0709516 0.4226978 0.1535854 -2.5477167 20 O -1.4202858 -0.2438696 -0.3470167 -0.2900116 -2.5179957 0.4065799 -0.3204608 0.3679806 -2.6304681 21 O -1.5523558 0.1339904 -0.2992359 0.0624520 -2.3955858 -0.2632086 -0.1959875 -0.2361247 -2.5780885 22 O -2.0272962 -0.4659179 0.1974384 -0.3720588 -2.6955521 0.0693489 0.2344370 0.0717582 -1.9230987 23 O -2.0272962 -0.4659179 0.1974384 -0.3720588 -2.6955521 0.0693489 0.2344370 0.0717582 -1.9230987 24 O -1.5523558 0.1339904 -0.2992359 0.0624520 -2.3955858 -0.2632086 -0.1959875 -0.2361247 -2.5780885 25 O -1.4202858 -0.2438696 -0.3470167 -0.2900116 -2.5179957 0.4065799 -0.3204608 0.3679806 -2.6304681 26 O -2.9036610 0.2404836 0.4508084 0.2961085 -2.2349204 0.0709516 0.4226978 0.1535854 -2.5477167 27 O -2.9036610 -0.2404836 0.4508084 -0.2961085 -2.2349204 -0.0709516 0.4226978 -0.1535854 -2.5477167 28 O -3.1058518 -0.3422618 -0.0258918 -0.3285871 -1.3172323 -0.1902322 -0.0600992 -0.2297812 -2.0638878 29 O -3.1058518 0.3422618 -0.0258918 0.3285871 -1.3172323 0.1902322 -0.0600992 0.2297812 -2.0638878 30 O -2.0272962 0.4659179 0.1974384 0.3720588 -2.6955521 -0.0693489 0.2344370 -0.0717582 -1.9230987 31 O -1.5523558 -0.1339904 -0.2992359 -0.0624520 -2.3955858 0.2632086 -0.1959875 0.2361247 -2.5780885 32 O -1.4202858 0.2438696 -0.3470167 0.2900116 -2.5179957 -0.4065799 -0.3204608 -0.3679806 -2.6304681 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 51, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 55, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 59, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:58:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:58:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.399930695086693 -3.503453560000000 0.000000000000000 b 7.399930695086693 3.503453560000000 0.000000000000000 c -5.753250007147528 0.000000000000000 9.350711059210267 Atomic positions (fractional): 1 La 0.47933715619014 0.23024245036151 0.66885114001875 138.905 2 La 0.28733318349657 0.78535829873428 0.96223099493301 138.905 3 La 0.21464170126573 0.71266681650344 0.53776900506699 138.905 4 La 0.23024245036151 0.47933715619014 0.16885114001875 138.905 5 La 0.76975754963849 0.52066284380986 0.83114885998125 138.905 6 La 0.78535829873428 0.28733318349657 0.46223099493301 138.905 7 La 0.71266681650343 0.21464170126572 0.03776900506699 138.905 8 La 0.52066284380986 0.76975754963849 0.33114885998125 138.905 9 Si 0.09430093331752 0.26375600730462 0.31287976159448 28.085 10 Si 0.73624399269538 0.90569906668248 0.18712023840552 28.085 11 Si 0.26375600730462 0.09430093331752 0.81287976159448 28.085 12 Si 0.90569906668248 0.73624399269538 0.68712023840552 28.085 13 O 0.11053883282319 0.07943766472399 0.15739449144209 15.999 14 O 0.75085190189361 0.86476430308840 0.55911650778392 15.999 15 O 0.16434014670572 0.60080350501955 0.68750708231088 15.999 16 O 0.57444479471802 0.83659977320725 0.16495781382057 15.999 17 O 0.16340022679275 0.42555520528198 0.33504218617943 15.999 18 O 0.60518748616351 0.42773563553219 0.89477166972164 15.999 19 O 0.57226436446781 0.39481251383649 0.60522833027836 15.999 20 O 0.92056233527601 0.88946116717681 0.34260550855791 15.999 21 O 0.86476430308840 0.75085190189361 0.05911650778392 15.999 22 O 0.39919649498045 0.83565985329428 0.81249291768912 15.999 23 O 0.60080350501955 0.16434014670572 0.18750708231088 15.999 24 O 0.13523569691160 0.24914809810639 0.94088349221608 15.999 25 O 0.07943766472399 0.11053883282319 0.65739449144209 15.999 26 O 0.42773563553219 0.60518748616352 0.39477166972164 15.999 27 O 0.39481251383648 0.57226436446781 0.10522833027836 15.999 28 O 0.83659977320725 0.57444479471802 0.66495781382057 15.999 29 O 0.42555520528198 0.16340022679275 0.83504218617943 15.999 30 O 0.83565985329428 0.39919649498045 0.31249291768912 15.999 31 O 0.24914809810639 0.13523569691160 0.44088349221608 15.999 32 O 0.88946116717681 0.92056233527601 0.84260550855791 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.799861390173387 0.000000000000000 0.000000000000000 b 0.000000000000000 14.013814240000000 0.000000000000000 c -5.753250007147528 0.000000000000000 9.350711059210267 Atomic positions (fractional): 1 La 0.85478980327583 0.18772632354284 0.66885114001875 138.905 > 1 2 La 0.85478980327583 0.68772632354284 0.66885114001875 138.905 > 1 3 La 0.03634574111542 0.37450627880943 0.96223099493301 138.905 > 3 4 La 0.03634574111542 0.87450627880943 0.96223099493301 138.905 > 3 5 La 0.96365425888458 0.37450627880943 0.53776900506699 138.905 > 5 6 La 0.96365425888458 0.87450627880943 0.53776900506699 138.905 > 5 7 La 0.85478980327583 0.31227367645716 0.16885114001875 138.905 > 7 8 La 0.85478980327583 0.81227367645716 0.16885114001875 138.905 > 7 9 La 0.14521019672417 0.18772632354284 0.83114885998125 138.905 > 9 10 La 0.14521019672417 0.68772632354284 0.83114885998125 138.905 > 9 11 La 0.03634574111542 0.12549372119057 0.46223099493301 138.905 > 11 12 La 0.03634574111542 0.62549372119057 0.46223099493301 138.905 > 11 13 La 0.96365425888458 0.12549372119057 0.03776900506699 138.905 > 13 14 La 0.96365425888458 0.62549372119057 0.03776900506699 138.905 > 13 15 La 0.14521019672417 0.31227367645716 0.33114885998125 138.905 > 15 16 La 0.14521019672417 0.81227367645716 0.33114885998125 138.905 > 15 17 La 0.35478980327583 0.43772632354284 0.66885114001875 138.905 > 1 18 La 0.35478980327583 0.93772632354284 0.66885114001875 138.905 > 1 19 La 0.53634574111542 0.12450627880943 0.96223099493301 138.905 > 3 20 La 0.53634574111542 0.62450627880943 0.96223099493301 138.905 > 3 21 La 0.46365425888458 0.12450627880943 0.53776900506699 138.905 > 5 22 La 0.46365425888458 0.62450627880943 0.53776900506699 138.905 > 5 23 La 0.35478980327583 0.06227367645716 0.16885114001875 138.905 > 7 24 La 0.35478980327583 0.56227367645716 0.16885114001875 138.905 > 7 25 La 0.64521019672417 0.43772632354284 0.83114885998125 138.905 > 9 26 La 0.64521019672417 0.93772632354284 0.83114885998125 138.905 > 9 27 La 0.53634574111542 0.37549372119057 0.46223099493301 138.905 > 11 28 La 0.53634574111542 0.87549372119057 0.46223099493301 138.905 > 11 29 La 0.46365425888458 0.37549372119057 0.03776900506699 138.905 > 13 30 La 0.46365425888458 0.87549372119057 0.03776900506699 138.905 > 13 31 La 0.64521019672417 0.06227367645716 0.33114885998125 138.905 > 15 32 La 0.64521019672417 0.56227367645716 0.33114885998125 138.905 > 15 33 Si 0.67902847031107 0.29236376849677 0.31287976159448 28.085 > 33 34 Si 0.67902847031107 0.79236376849678 0.31287976159448 28.085 > 33 35 Si 0.82097152968893 0.04236376849677 0.18712023840552 28.085 > 35 36 Si 0.82097152968893 0.54236376849678 0.18712023840552 28.085 > 35 37 Si 0.17902847031107 0.45763623150323 0.81287976159448 28.085 > 37 38 Si 0.17902847031107 0.95763623150322 0.81287976159448 28.085 > 37 39 Si 0.32097152968893 0.20763623150322 0.68712023840552 28.085 > 39 40 Si 0.32097152968893 0.70763623150322 0.68712023840552 28.085 > 39 41 Si 0.17902847031107 0.04236376849677 0.31287976159448 28.085 > 33 42 Si 0.17902847031107 0.54236376849678 0.31287976159448 28.085 > 33 43 Si 0.32097152968893 0.29236376849677 0.18712023840552 28.085 > 35 44 Si 0.32097152968893 0.79236376849678 0.18712023840552 28.085 > 35 45 Si 0.67902847031107 0.20763623150322 0.81287976159448 28.085 > 37 46 Si 0.67902847031107 0.70763623150322 0.81287976159448 28.085 > 37 47 Si 0.82097152968893 0.45763623150323 0.68712023840552 28.085 > 39 48 Si 0.82097152968893 0.95763623150322 0.68712023840552 28.085 > 39 49 O 0.59498824877359 0.24222470797520 0.15739449144209 15.999 > 49 50 O 0.59498824877359 0.74222470797520 0.15739449144209 15.999 > 49 51 O 0.80780810249101 0.02847810029870 0.55911650778392 15.999 > 51 52 O 0.80780810249101 0.52847810029870 0.55911650778392 15.999 > 51 53 O 0.88257182586263 0.35911583957846 0.68750708231088 15.999 > 53 54 O 0.88257182586263 0.85911583957846 0.68750708231088 15.999 > 53 55 O 0.70552228396264 0.06553874462231 0.16495781382057 15.999 > 55 56 O 0.70552228396264 0.56553874462231 0.16495781382057 15.999 > 55 57 O 0.79447771603736 0.31553874462231 0.33504218617943 15.999 > 57 58 O 0.79447771603736 0.81553874462231 0.33504218617943 15.999 > 57 59 O 0.01646156084785 0.20563703734217 0.89477166972164 15.999 > 59 60 O 0.01646156084785 0.70563703734217 0.89477166972164 15.999 > 59 61 O 0.98353843915215 0.20563703734217 0.60522833027836 15.999 > 61 62 O 0.98353843915215 0.70563703734217 0.60522833027836 15.999 > 61 63 O 0.90501175122641 0.49222470797520 0.34260550855791 15.999 > 63 64 O 0.90501175122641 0.99222470797520 0.34260550855791 15.999 > 63 65 O 0.80780810249101 0.47152189970130 0.05911650778392 15.999 > 65 66 O 0.80780810249101 0.97152189970130 0.05911650778392 15.999 > 65 67 O 0.11742817413737 0.35911583957846 0.81249291768912 15.999 > 67 68 O 0.11742817413737 0.85911583957846 0.81249291768912 15.999 > 67 69 O 0.88257182586263 0.14088416042154 0.18750708231088 15.999 > 69 70 O 0.88257182586263 0.64088416042154 0.18750708231088 15.999 > 69 71 O 0.19219189750899 0.02847810029870 0.94088349221608 15.999 > 71 72 O 0.19219189750899 0.52847810029870 0.94088349221608 15.999 > 71 73 O 0.09498824877359 0.00777529202480 0.65739449144209 15.999 > 73 74 O 0.09498824877359 0.50777529202480 0.65739449144209 15.999 > 73 75 O 0.01646156084785 0.29436296265783 0.39477166972164 15.999 > 75 76 O 0.01646156084785 0.79436296265783 0.39477166972164 15.999 > 75 77 O 0.98353843915215 0.29436296265783 0.10522833027836 15.999 > 77 78 O 0.98353843915215 0.79436296265783 0.10522833027836 15.999 > 77 79 O 0.20552228396263 0.18446125537769 0.66495781382057 15.999 > 79 80 O 0.20552228396263 0.68446125537769 0.66495781382057 15.999 > 79 81 O 0.29447771603737 0.43446125537769 0.83504218617943 15.999 > 81 82 O 0.29447771603737 0.93446125537769 0.83504218617943 15.999 > 81 83 O 0.11742817413737 0.14088416042154 0.31249291768912 15.999 > 83 84 O 0.11742817413737 0.64088416042154 0.31249291768912 15.999 > 83 85 O 0.19219189750899 0.47152189970130 0.44088349221608 15.999 > 85 86 O 0.19219189750899 0.97152189970130 0.44088349221608 15.999 > 85 87 O 0.40501175122641 0.25777529202480 0.84260550855791 15.999 > 87 88 O 0.40501175122641 0.75777529202480 0.84260550855791 15.999 > 87 89 O 0.09498824877359 0.49222470797520 0.15739449144209 15.999 > 49 90 O 0.09498824877359 0.99222470797520 0.15739449144209 15.999 > 49 91 O 0.30780810249101 0.27847810029870 0.55911650778392 15.999 > 51 92 O 0.30780810249101 0.77847810029870 0.55911650778392 15.999 > 51 93 O 0.38257182586263 0.10911583957846 0.68750708231088 15.999 > 53 94 O 0.38257182586263 0.60911583957846 0.68750708231088 15.999 > 53 95 O 0.20552228396263 0.31553874462231 0.16495781382057 15.999 > 55 96 O 0.20552228396263 0.81553874462231 0.16495781382057 15.999 > 55 97 O 0.29447771603737 0.06553874462231 0.33504218617943 15.999 > 57 98 O 0.29447771603737 0.56553874462231 0.33504218617943 15.999 > 57 99 O 0.51646156084785 0.45563703734217 0.89477166972164 15.999 > 59 100 O 0.51646156084785 0.95563703734217 0.89477166972164 15.999 > 59 101 O 0.48353843915215 0.45563703734217 0.60522833027836 15.999 > 61 102 O 0.48353843915215 0.95563703734217 0.60522833027836 15.999 > 61 103 O 0.40501175122641 0.24222470797520 0.34260550855791 15.999 > 63 104 O 0.40501175122641 0.74222470797520 0.34260550855791 15.999 > 63 105 O 0.30780810249101 0.22152189970130 0.05911650778392 15.999 > 65 106 O 0.30780810249101 0.72152189970130 0.05911650778392 15.999 > 65 107 O 0.61742817413737 0.10911583957846 0.81249291768912 15.999 > 67 108 O 0.61742817413737 0.60911583957846 0.81249291768912 15.999 > 67 109 O 0.38257182586263 0.39088416042154 0.18750708231088 15.999 > 69 110 O 0.38257182586263 0.89088416042154 0.18750708231088 15.999 > 69 111 O 0.69219189750899 0.27847810029870 0.94088349221608 15.999 > 71 112 O 0.69219189750899 0.77847810029870 0.94088349221608 15.999 > 71 113 O 0.59498824877359 0.25777529202480 0.65739449144209 15.999 > 73 114 O 0.59498824877359 0.75777529202480 0.65739449144209 15.999 > 73 115 O 0.51646156084785 0.04436296265783 0.39477166972164 15.999 > 75 116 O 0.51646156084785 0.54436296265783 0.39477166972164 15.999 > 75 117 O 0.48353843915215 0.04436296265783 0.10522833027836 15.999 > 77 118 O 0.48353843915215 0.54436296265783 0.10522833027836 15.999 > 77 119 O 0.70552228396264 0.43446125537769 0.66495781382057 15.999 > 79 120 O 0.70552228396264 0.93446125537769 0.66495781382057 15.999 > 79 121 O 0.79447771603736 0.18446125537769 0.83504218617943 15.999 > 81 122 O 0.79447771603736 0.68446125537769 0.83504218617943 15.999 > 81 123 O 0.61742817413737 0.39088416042154 0.31249291768912 15.999 > 83 124 O 0.61742817413737 0.89088416042154 0.31249291768912 15.999 > 83 125 O 0.69219189750899 0.22152189970130 0.44088349221608 15.999 > 85 126 O 0.69219189750899 0.72152189970130 0.44088349221608 15.999 > 85 127 O 0.90501175122641 0.00777529202480 0.84260550855791 15.999 > 87 128 O 0.90501175122641 0.50777529202480 0.84260550855791 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6611231 0.0000000 -0.0526715 0.0000000 3.7272547 0.0000000 -0.0526664 0.0000000 3.8625766 -------------------------- Born effective charges -------------------------- 1 La 4.0240484 0.3974796 -0.0232511 0.4108637 3.8544745 0.1478698 0.1030934 0.0948778 4.2412800 2 La 3.5043985 -0.0436187 -0.3142245 -0.0733552 4.1669214 -0.0030016 -0.3703178 0.0061075 4.4575646 3 La 3.5043985 0.0436187 -0.3142245 0.0733552 4.1669214 0.0030016 -0.3703178 -0.0061075 4.4575646 4 La 4.0240484 -0.3974796 -0.0232511 -0.4108637 3.8544745 -0.1478698 0.1030934 -0.0948778 4.2412800 5 La 4.0240484 -0.3974796 -0.0232511 -0.4108637 3.8544745 -0.1478698 0.1030934 -0.0948778 4.2412800 6 La 3.5043985 0.0436187 -0.3142245 0.0733552 4.1669214 0.0030016 -0.3703178 -0.0061075 4.4575646 7 La 3.5043985 -0.0436187 -0.3142245 -0.0733552 4.1669214 -0.0030016 -0.3703178 0.0061075 4.4575646 8 La 4.0240484 0.3974796 -0.0232511 0.4108637 3.8544745 0.1478698 0.1030934 0.0948778 4.2412800 9 Si 3.4810038 -0.1277287 0.3613732 -0.0134451 3.1398904 -0.1519250 0.1866371 0.0161144 3.0444153 10 Si 3.4810038 0.1277287 0.3613732 0.0134451 3.1398904 0.1519250 0.1866371 -0.0161144 3.0444153 11 Si 3.4810038 0.1277287 0.3613732 0.0134451 3.1398904 0.1519250 0.1866371 -0.0161144 3.0444153 12 Si 3.4810038 -0.1277287 0.3613732 -0.0134451 3.1398904 -0.1519250 0.1866371 0.0161144 3.0444153 13 O -1.4202858 0.2438696 -0.3470167 0.2900116 -2.5179957 -0.4065799 -0.3204608 -0.3679806 -2.6304681 14 O -1.5523558 -0.1339904 -0.2992359 -0.0624520 -2.3955858 0.2632086 -0.1959875 0.2361247 -2.5780885 15 O -2.0272962 0.4659179 0.1974384 0.3720588 -2.6955521 -0.0693489 0.2344370 -0.0717582 -1.9230987 16 O -3.1058518 0.3422618 -0.0258918 0.3285871 -1.3172323 0.1902322 -0.0600992 0.2297812 -2.0638878 17 O -3.1058518 -0.3422618 -0.0258918 -0.3285871 -1.3172323 -0.1902322 -0.0600992 -0.2297812 -2.0638878 18 O -2.9036610 -0.2404836 0.4508084 -0.2961085 -2.2349204 -0.0709516 0.4226978 -0.1535854 -2.5477167 19 O -2.9036610 0.2404836 0.4508084 0.2961085 -2.2349204 0.0709516 0.4226978 0.1535854 -2.5477167 20 O -1.4202858 -0.2438696 -0.3470167 -0.2900116 -2.5179957 0.4065799 -0.3204608 0.3679806 -2.6304681 21 O -1.5523558 0.1339904 -0.2992359 0.0624520 -2.3955858 -0.2632086 -0.1959875 -0.2361247 -2.5780885 22 O -2.0272962 -0.4659179 0.1974384 -0.3720588 -2.6955521 0.0693489 0.2344370 0.0717582 -1.9230987 23 O -2.0272962 -0.4659179 0.1974384 -0.3720588 -2.6955521 0.0693489 0.2344370 0.0717582 -1.9230987 24 O -1.5523558 0.1339904 -0.2992359 0.0624520 -2.3955858 -0.2632086 -0.1959875 -0.2361247 -2.5780885 25 O -1.4202858 -0.2438696 -0.3470167 -0.2900116 -2.5179957 0.4065799 -0.3204608 0.3679806 -2.6304681 26 O -2.9036610 0.2404836 0.4508084 0.2961085 -2.2349204 0.0709516 0.4226978 0.1535854 -2.5477167 27 O -2.9036610 -0.2404836 0.4508084 -0.2961085 -2.2349204 -0.0709516 0.4226978 -0.1535854 -2.5477167 28 O -3.1058518 -0.3422618 -0.0258918 -0.3285871 -1.3172323 -0.1902322 -0.0600992 -0.2297812 -2.0638878 29 O -3.1058518 0.3422618 -0.0258918 0.3285871 -1.3172323 0.1902322 -0.0600992 0.2297812 -2.0638878 30 O -2.0272962 0.4659179 0.1974384 0.3720588 -2.6955521 -0.0693489 0.2344370 -0.0717582 -1.9230987 31 O -1.5523558 -0.1339904 -0.2992359 -0.0624520 -2.3955858 0.2632086 -0.1959875 0.2361247 -2.5780885 32 O -1.4202858 0.2438696 -0.3470167 0.2900116 -2.5179957 -0.4065799 -0.3204608 -0.3679806 -2.6304681 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 8 8 5 ] 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: 0.53, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.628 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.937 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.847 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 9.942 ( 0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 10.629 ( 0.000 0.000 0.000) 0.000 10.901 ( 0.000 0.000 0.000) 0.000 11.120 ( 0.000 0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 0.000) 0.000 12.407 ( 0.000 0.000 0.000) 0.000 12.676 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.476 ( 0.000 0.000 0.000) 0.000 14.189 ( 0.000 0.000 0.000) 0.000 14.218 ( 0.000 0.000 0.000) 0.000 14.551 ( 0.000 0.000 0.000) 0.000 14.627 ( 0.000 0.000 0.000) 0.000 14.659 ( 0.000 0.000 0.000) 0.000 14.828 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.257 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.624 ( 0.000 0.000 0.000) 0.000 15.626 ( 0.000 0.000 0.000) 0.000 15.762 ( 0.000 0.000 0.000) 0.000 24.607 ( 0.000 0.000 0.000) 0.000 24.778 ( 0.000 0.000 0.000) 0.000 24.853 ( 0.000 0.000 0.000) 0.000 24.901 ( 0.000 0.000 0.000) 0.000 24.949 ( 0.000 0.000 0.000) 0.000 25.315 ( 0.000 0.000 0.000) 0.000 25.478 ( 0.000 0.000 0.000) 0.000 25.497 ( 0.000 0.000 0.000) 0.000 25.808 ( 0.000 0.000 0.000) 0.000 26.160 ( 0.000 0.000 0.000) 0.000 26.188 ( 0.000 0.000 0.000) 0.000 26.864 ( 0.000 0.000 0.000) 0.000 27.241 ( 0.000 0.000 0.000) 0.000 27.503 ( 0.000 0.000 0.000) 0.000 27.750 ( 0.000 0.000 0.000) 0.000 28.224 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 17.440 -16.560 2.459) 24.175 0.637 ( 10.014 -25.912 14.805) 31.478 0.914 ( 17.638 -32.864 18.407) 41.593 1.094 ( 1.606 -36.145 6.796) 36.814 1.911 ( -6.532 -3.820 -9.826) 12.402 2.125 ( 2.662 -6.729 9.337) 11.813 2.288 ( 1.993 -3.816 -1.101) 4.444 2.373 ( -0.288 -19.769 0.231) 19.772 2.528 ( -1.058 -3.604 -4.483) 5.849 2.580 ( -2.901 -7.156 -1.627) 7.891 2.875 ( 5.608 -4.993 0.516) 7.526 3.090 ( 1.264 10.409 -1.408) 10.579 3.318 ( -1.397 -1.158 1.645) 2.449 3.382 ( -5.323 -0.499 -2.659) 5.971 3.519 ( -0.463 -1.467 -6.175) 6.364 3.745 ( -0.671 -2.794 1.590) 3.283 3.901 ( -4.980 -0.759 -6.008) 7.841 3.928 ( -3.985 4.779 0.267) 6.228 4.102 ( 1.784 -4.061 5.031) 6.707 4.196 ( 4.887 8.317 4.407) 10.606 4.354 ( 0.750 2.688 -3.168) 4.222 4.372 ( -7.369 0.833 1.272) 7.524 4.490 ( 0.036 -1.014 0.048) 1.016 5.013 ( -2.200 0.558 2.781) 3.590 5.167 ( -0.784 1.447 2.734) 3.191 5.217 ( -1.122 -3.030 -3.305) 4.622 5.277 ( 3.277 4.674 0.155) 5.710 5.354 ( 0.864 -2.470 -0.722) 2.715 5.423 ( -0.410 -6.845 -4.434) 8.166 5.569 ( 1.900 -2.247 -3.366) 4.471 5.631 ( 6.046 -1.588 -2.638) 6.785 5.681 ( 1.145 -0.778 -2.176) 2.579 6.001 ( 0.829 6.175 1.918) 6.519 6.161 ( -6.719 1.609 1.350) 7.040 6.224 ( 1.605 -1.749 -7.194) 7.576 6.332 ( -8.633 -4.211 3.209) 10.127 6.483 ( -0.289 2.103 -5.345) 5.751 6.662 ( -5.722 -1.310 -5.562) 8.087 6.818 ( -6.657 8.626 0.868) 10.931 6.858 ( 0.584 3.583 -1.002) 3.766 6.953 ( 0.036 -1.099 5.041) 5.160 7.196 ( 3.479 -4.430 13.118) 14.277 7.318 ( 4.162 1.912 1.053) 4.700 7.412 ( 3.076 -2.513 -1.390) 4.208 7.544 ( 0.606 -4.934 -0.206) 4.975 7.604 ( 5.702 3.072 4.031) 7.629 7.838 ( -6.508 -5.302 -0.859) 8.438 8.046 ( 1.688 -2.116 -4.006) 4.835 8.592 ( -8.095 -3.787 2.718) 9.342 8.929 ( -0.261 0.467 0.804) 0.965 9.208 ( 0.638 -2.424 0.284) 2.523 9.570 ( 3.785 -0.989 -10.808) 11.494 9.808 ( -0.957 0.175 5.424) 5.511 9.955 ( -0.760 -3.691 -0.144) 3.771 9.980 ( 3.803 -8.874 -4.087) 10.484 10.287 ( -35.724 -15.285 11.133) 40.420 10.572 ( -0.802 1.964 -0.493) 2.178 10.640 ( -2.332 -1.702 1.446) 3.229 10.827 ( 7.619 3.795 3.203) 9.094 11.056 ( 4.892 7.508 5.558) 10.545 11.100 ( -4.128 -0.703 -2.787) 5.030 11.687 ( 5.374 5.399 5.283) 9.270 12.330 ( -18.304 -2.965 9.105) 20.657 12.398 ( -2.869 0.891 -13.603) 13.931 12.778 ( -19.259 -3.039 -4.116) 19.927 13.272 ( 1.817 -4.428 2.835) 5.563 13.513 ( 7.886 -0.860 -6.389) 10.186 13.619 ( 24.881 20.820 6.906) 33.169 14.156 ( 7.727 7.595 -11.418) 15.741 14.196 ( 3.385 3.462 2.781) 5.584 14.488 ( -5.828 1.887 -2.057) 6.462 14.615 ( 4.690 4.660 1.086) 6.700 14.786 ( 0.320 3.377 1.383) 3.663 14.823 ( 0.759 -6.428 0.254) 6.477 15.061 ( 1.101 5.049 2.523) 5.751 15.272 ( 0.303 2.313 -2.452) 3.384 15.469 ( 0.131 -1.403 0.187) 1.421 15.631 ( -1.424 -1.817 -0.343) 2.333 15.714 ( 6.973 -1.429 3.053) 7.745 16.283 ( 2.575 2.016 -6.678) 7.436 24.622 ( 0.176 -1.225 0.697) 1.420 24.781 ( 0.294 -0.237 -0.367) 0.526 24.852 ( -0.500 0.852 -1.057) 1.447 24.913 ( -0.323 -0.953 0.198) 1.026 24.961 ( -1.415 0.804 6.296) 6.503 25.449 ( -2.748 -1.590 -1.613) 3.561 25.494 ( -1.045 -2.198 -1.634) 2.932 25.548 ( 0.732 -2.510 4.843) 5.504 25.824 ( 0.198 -0.127 -0.412) 0.474 26.133 ( -6.813 1.074 -2.890) 7.478 26.871 ( -1.056 -0.619 3.317) 3.536 26.970 ( -40.975 -17.938 -5.388) 45.053 27.366 ( -13.403 -18.460 -2.026) 22.902 27.546 ( -2.882 -5.416 -0.178) 6.137 28.184 ( 1.985 3.817 -4.518) 6.239 28.795 ( 72.330 42.089 10.471) 84.337 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 14.750 -13.547 3.372) 20.309 1.228 ( 8.425 -22.919 12.140) 27.270 1.600 ( 7.334 -19.603 10.202) 23.284 1.697 ( -5.874 -25.197 2.640) 26.007 1.982 ( 4.834 -13.173 0.645) 14.047 2.296 ( -0.527 -5.444 6.563) 8.544 2.363 ( 1.017 -3.828 -2.935) 4.930 2.577 ( 0.484 -6.827 -8.189) 10.673 2.685 ( -4.837 -6.980 1.627) 8.646 2.767 ( 2.167 -15.172 -0.431) 15.332 2.961 ( 0.846 1.450 4.707) 4.997 2.995 ( 3.484 -3.487 -0.053) 4.930 3.226 ( -6.724 4.301 -9.470) 12.385 3.373 ( -3.911 -4.909 0.693) 6.315 3.595 ( 3.866 -6.844 -0.506) 7.877 3.711 ( -8.619 5.056 -4.522) 10.968 3.810 ( -0.771 1.461 -6.285) 6.499 3.860 ( -0.933 -0.069 1.836) 2.060 4.055 ( 0.591 8.057 1.684) 8.252 4.212 ( -1.429 -3.445 -1.002) 3.862 4.257 ( -1.114 4.358 3.261) 5.556 4.427 ( 2.248 -2.965 6.407) 7.409 4.523 ( 2.761 -0.804 6.239) 6.869 5.015 ( -1.368 -0.846 0.889) 1.838 5.112 ( -3.701 3.533 5.949) 7.847 5.208 ( 6.603 3.814 -3.033) 8.207 5.296 ( 0.638 -4.675 -0.113) 4.720 5.384 ( -4.247 -1.697 -8.396) 9.561 5.495 ( 2.401 -0.807 0.108) 2.536 5.569 ( -2.475 -1.202 -5.477) 6.129 5.637 ( 4.756 -0.506 -4.427) 6.517 5.780 ( 5.755 -2.287 0.828) 6.247 5.905 ( 1.635 5.165 1.492) 5.619 6.096 ( -4.878 0.919 3.741) 6.216 6.231 ( -3.709 -3.793 -11.280) 12.465 6.338 ( -3.254 0.918 2.733) 4.348 6.383 ( -0.121 2.670 -5.580) 6.187 6.536 ( -6.458 7.920 -5.702) 11.702 6.643 ( -2.295 3.372 1.561) 4.368 6.799 ( 0.111 2.990 0.142) 2.995 7.050 ( -0.287 -6.052 4.795) 7.726 7.304 ( 0.265 0.679 3.647) 3.719 7.398 ( 0.840 -7.881 4.293) 9.013 7.473 ( 3.930 -0.127 0.182) 3.937 7.623 ( -0.736 -2.565 2.071) 3.378 7.673 ( -0.507 -7.063 1.001) 7.151 7.892 ( -6.199 -7.358 -0.926) 9.665 8.076 ( 1.757 -2.273 -5.322) 6.047 8.587 ( -6.519 -1.488 0.648) 6.718 8.931 ( 0.519 -0.311 0.994) 1.163 9.281 ( 0.745 -4.462 -0.291) 4.533 9.596 ( 7.827 -0.466 -4.829) 9.208 9.817 ( 0.966 0.863 1.435) 1.933 10.026 ( -1.179 -4.265 4.947) 6.637 10.158 ( 4.626 -7.207 -2.865) 9.031 10.315 ( -12.906 -6.523 1.420) 14.530 10.531 ( -2.100 -0.123 0.494) 2.161 10.644 ( -4.097 0.541 4.244) 5.924 10.854 ( 0.908 -1.432 -1.079) 2.009 10.975 ( 8.736 9.851 2.874) 13.477 11.072 ( -0.472 -1.901 -4.160) 4.598 11.690 ( 9.019 4.798 7.576) 12.718 12.112 ( -18.108 10.560 -6.012) 21.807 12.265 ( -18.619 0.118 9.503) 20.905 12.769 ( 2.796 -3.713 -6.016) 7.603 13.320 ( 7.318 4.709 2.126) 8.958 13.391 ( 3.980 11.368 0.944) 12.082 13.671 ( 12.738 -0.710 0.081) 12.758 14.030 ( 2.027 4.702 -3.436) 6.166 14.194 ( 4.715 1.934 -0.153) 5.098 14.408 ( -7.335 -0.205 -2.805) 7.856 14.549 ( -3.540 4.129 0.534) 5.464 14.710 ( 1.497 4.091 0.305) 4.367 14.897 ( -2.980 0.878 1.894) 3.638 14.972 ( 4.647 5.610 -0.591) 7.309 15.258 ( 1.034 -1.919 -0.998) 2.397 15.515 ( -0.469 -2.735 -1.295) 3.062 15.667 ( -0.620 -3.382 -1.404) 3.714 15.787 ( 2.435 -0.727 3.448) 4.283 16.214 ( 1.294 4.437 -3.918) 6.059 24.657 ( 0.417 -1.887 0.598) 2.023 24.786 ( 0.560 -0.192 -1.586) 1.693 24.829 ( -0.658 0.695 0.673) 1.170 24.922 ( -0.834 -0.314 0.398) 0.976 24.973 ( 0.150 -0.053 3.074) 3.078 25.456 ( -1.650 -0.735 2.025) 2.714 25.504 ( -0.307 -0.675 -3.146) 3.233 25.629 ( 1.606 -2.120 5.816) 6.395 25.821 ( -1.271 -2.016 -5.933) 6.394 26.045 ( -5.260 1.038 -1.325) 5.523 26.885 ( -6.202 -1.899 -1.612) 6.683 26.932 ( -8.288 -2.884 5.347) 10.276 27.579 ( -8.451 -14.076 2.494) 16.606 27.671 ( -3.705 -12.483 -0.268) 13.024 28.091 ( 4.099 5.781 -6.549) 9.649 28.668 ( 32.049 25.183 2.547) 40.839 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 9.266 -7.894 2.942) 12.523 1.663 ( 1.314 -15.241 0.126) 15.298 1.836 ( 2.897 -6.568 13.393) 15.196 1.994 ( -2.265 -7.591 -3.961) 8.857 2.292 ( 3.113 -8.998 1.315) 9.612 2.397 ( -3.444 -5.444 -0.142) 6.443 2.427 ( 1.369 -4.508 0.499) 4.738 2.597 ( 2.385 1.685 0.448) 2.954 2.747 ( 0.483 -5.281 -0.424) 5.320 2.953 ( -1.882 -0.502 -1.502) 2.459 3.012 ( -0.013 -8.926 3.852) 9.722 3.053 ( -4.050 -0.045 -0.092) 4.051 3.185 ( 1.367 -6.183 -0.743) 6.376 3.358 ( -4.302 5.482 -3.802) 7.937 3.498 ( -5.312 6.765 -4.750) 9.825 3.707 ( 7.326 -0.328 1.857) 7.564 3.848 ( 6.328 0.205 -2.989) 7.001 3.857 ( -3.196 -3.672 0.511) 4.895 4.021 ( -2.819 -5.369 1.063) 6.157 4.158 ( -4.962 0.512 -0.219) 4.993 4.262 ( 0.243 0.993 2.439) 2.645 4.519 ( 2.275 -2.810 5.702) 6.752 4.628 ( 2.914 -2.410 5.364) 6.563 4.975 ( -2.626 2.819 -1.334) 4.077 5.107 ( 3.400 0.085 2.837) 4.429 5.220 ( 0.857 -0.071 -0.709) 1.115 5.270 ( -0.436 0.255 -8.974) 8.988 5.365 ( -4.515 -2.288 -0.102) 5.063 5.522 ( -3.411 -2.098 -3.603) 5.387 5.559 ( 3.110 1.761 5.222) 6.328 5.633 ( 5.730 2.345 -5.731) 8.436 5.781 ( -0.336 2.669 -2.336) 3.563 5.923 ( 7.208 0.247 3.680) 8.097 6.075 ( -3.392 0.172 1.957) 3.920 6.170 ( -8.205 -1.747 -4.137) 9.354 6.240 ( -3.866 4.805 -4.928) 7.894 6.357 ( 2.991 3.148 0.004) 4.342 6.392 ( -3.451 -2.987 -7.364) 8.663 6.610 ( 0.454 1.433 2.694) 3.085 6.753 ( -0.478 2.433 1.545) 2.922 7.183 ( -0.484 -6.085 2.396) 6.557 7.299 ( -4.419 -0.467 3.216) 5.485 7.460 ( 3.671 2.483 -1.658) 4.732 7.570 ( 2.268 -5.060 4.756) 7.305 7.669 ( -1.135 -2.261 0.222) 2.539 7.799 ( -1.315 -6.526 0.862) 6.712 7.964 ( -3.175 -4.708 -0.683) 5.719 8.108 ( 2.182 -2.326 -4.186) 5.262 8.543 ( -4.346 1.358 0.544) 4.586 8.963 ( 1.363 -1.673 0.634) 2.249 9.355 ( 0.641 -3.110 -0.861) 3.290 9.639 ( 4.298 -0.337 -2.573) 5.020 9.821 ( 2.010 0.007 -1.194) 2.338 10.108 ( -3.865 -2.085 10.424) 11.311 10.263 ( -2.947 -1.774 -2.987) 4.555 10.290 ( 1.003 -1.705 -4.027) 4.487 10.564 ( -1.557 -0.116 3.868) 4.172 10.641 ( -1.290 -5.806 -1.111) 6.050 10.838 ( 1.919 3.248 -2.875) 4.743 10.909 ( 5.748 5.760 2.686) 8.569 11.159 ( 5.752 -6.979 -3.130) 9.570 11.684 ( -10.206 10.194 7.357) 16.193 11.752 ( 0.811 6.954 -5.919) 9.168 12.161 ( -14.081 0.778 10.236) 17.425 12.814 ( 4.493 -0.862 -6.014) 7.556 13.268 ( 6.305 5.401 2.473) 8.662 13.315 ( -1.265 1.442 -0.509) 1.984 13.739 ( 6.692 2.811 0.975) 7.324 14.025 ( 2.988 -2.614 -0.281) 3.981 14.193 ( 5.045 2.445 -3.664) 6.697 14.337 ( -7.713 -0.725 -1.258) 7.848 14.432 ( -2.751 5.373 0.905) 6.104 14.685 ( -2.782 -0.968 1.090) 3.141 14.802 ( -1.612 4.764 2.082) 5.443 14.965 ( 4.161 1.142 -1.239) 4.489 15.299 ( 2.024 -0.943 -1.571) 2.730 15.539 ( -1.163 -1.279 0.551) 1.814 15.691 ( 0.442 -0.231 -3.382) 3.418 15.856 ( 0.451 -3.780 5.156) 6.409 16.111 ( -0.022 5.311 -3.706) 6.477 24.698 ( 0.504 -1.786 0.672) 1.973 24.769 ( -0.228 0.969 -2.011) 2.244 24.835 ( 0.275 -0.647 1.412) 1.577 24.914 ( -0.895 0.350 0.012) 0.961 24.994 ( 0.469 -0.454 1.614) 1.741 25.441 ( -2.657 1.118 0.561) 2.937 25.500 ( 1.517 0.072 -0.953) 1.793 25.703 ( 1.885 -1.128 4.990) 5.453 25.817 ( -2.910 -3.020 -6.144) 7.439 25.998 ( -1.109 1.181 0.421) 1.674 26.836 ( -5.083 -0.487 -2.505) 5.688 26.963 ( -1.821 -1.233 4.380) 4.901 27.747 ( -5.265 -9.214 5.823) 12.105 27.894 ( -6.088 -15.774 -3.699) 17.308 27.997 ( 5.323 5.290 -2.475) 7.902 28.472 ( 17.093 20.046 -1.029) 26.364 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 -0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 -0.000 -0.000) 0.000 2.042 ( 0.000 -0.000 -0.000) 0.000 2.347 ( 0.000 -0.000 -0.000) 0.000 2.424 ( 0.000 -0.000 0.000) 0.000 2.501 ( 0.000 -0.000 -0.000) 0.000 2.629 ( 0.000 -0.000 0.000) 0.000 2.775 ( 0.000 -0.000 0.000) 0.000 3.016 ( 0.000 -0.000 -0.000) 0.000 3.035 ( 0.000 -0.000 -0.000) 0.000 3.126 ( 0.000 -0.000 0.000) 0.000 3.145 ( 0.000 0.000 -0.000) 0.000 3.307 ( 0.000 -0.000 0.000) 0.000 3.367 ( 0.000 -0.000 -0.000) 0.000 3.775 ( 0.000 -0.000 -0.000) 0.000 3.807 ( -0.000 -0.000 0.000) 0.000 3.900 ( 0.000 -0.000 -0.000) 0.000 4.110 ( 0.000 -0.000 -0.000) 0.000 4.123 ( -0.000 0.000 0.000) 0.000 4.258 ( 0.000 -0.000 0.000) 0.000 4.595 ( 0.000 -0.000 0.000) 0.000 4.672 ( 0.000 -0.000 -0.000) 0.000 4.920 ( 0.000 -0.000 0.000) 0.000 5.124 ( 0.000 -0.000 -0.000) 0.000 5.199 ( 0.000 -0.000 0.000) 0.000 5.307 ( 0.000 -0.000 0.000) 0.000 5.337 ( 0.000 -0.000 0.000) 0.000 5.481 ( 0.000 -0.000 0.000) 0.000 5.583 ( 0.000 -0.000 0.000) 0.000 5.643 ( 0.000 -0.000 0.000) 0.000 5.727 ( 0.000 -0.000 0.000) 0.000 5.982 ( 0.000 -0.000 0.000) 0.000 6.056 ( 0.000 -0.000 0.000) 0.000 6.113 ( -0.000 -0.000 -0.000) 0.000 6.176 ( 0.000 -0.000 0.000) 0.000 6.339 ( 0.000 -0.000 -0.000) 0.000 6.398 ( 0.000 -0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 -0.000 0.000) 0.000 7.248 ( 0.000 -0.000 0.000) 0.000 7.289 ( -0.000 -0.000 0.000) 0.000 7.447 ( 0.000 -0.000 -0.000) 0.000 7.647 ( -0.000 -0.000 0.000) 0.000 7.679 ( 0.000 -0.000 0.000) 0.000 7.860 ( 0.000 -0.000 0.000) 0.000 7.988 ( 0.000 -0.000 0.000) 0.000 8.136 ( 0.000 -0.000 0.000) 0.000 8.504 ( 0.000 -0.000 -0.000) 0.000 8.992 ( 0.000 -0.000 0.000) 0.000 9.384 ( 0.000 -0.000 0.000) 0.000 9.654 ( 0.000 -0.000 -0.000) 0.000 9.830 ( -0.000 -0.000 0.000) 0.000 10.137 ( 0.000 -0.000 0.000) 0.000 10.224 ( 0.000 -0.000 -0.000) 0.000 10.316 ( -0.000 -0.000 -0.000) 0.000 10.579 ( 0.000 -0.000 0.000) 0.000 10.704 ( 0.000 -0.000 0.000) 0.000 10.802 ( -0.000 -0.000 -0.000) 0.000 10.888 ( 0.000 -0.000 0.000) 0.000 11.348 ( 0.000 -0.000 0.000) 0.000 11.392 ( 0.000 -0.000 -0.000) 0.000 11.724 ( 0.000 -0.000 0.000) 0.000 12.124 ( 0.000 -0.000 0.000) 0.000 12.823 ( 0.000 -0.000 0.000) 0.000 13.262 ( 0.000 -0.000 0.000) 0.000 13.291 ( 0.000 -0.000 0.000) 0.000 13.736 ( 0.000 -0.000 -0.000) 0.000 14.107 ( 0.000 -0.000 0.000) 0.000 14.143 ( 0.000 -0.000 -0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.358 ( -0.000 -0.000 0.000) 0.000 14.688 ( 0.000 -0.000 0.000) 0.000 14.758 ( 0.000 -0.000 0.000) 0.000 14.971 ( 0.000 -0.000 0.000) 0.000 15.308 ( 0.000 -0.000 0.000) 0.000 15.550 ( 0.000 -0.000 -0.000) 0.000 15.677 ( 0.000 -0.000 0.000) 0.000 15.948 ( 0.000 -0.000 0.000) 0.000 16.014 ( 0.000 0.000 -0.000) 0.000 24.731 ( 0.000 -0.000 -0.000) 0.000 24.739 ( 0.000 -0.000 0.000) 0.000 24.851 ( 0.000 -0.000 0.000) 0.000 24.903 ( 0.000 -0.000 0.000) 0.000 25.006 ( 0.000 -0.000 0.000) 0.000 25.415 ( 0.000 -0.000 -0.000) 0.000 25.505 ( 0.000 -0.000 0.000) 0.000 25.739 ( 0.000 -0.000 0.000) 0.000 25.814 ( -0.000 -0.000 -0.000) 0.000 25.984 ( 0.000 -0.000 0.000) 0.000 26.810 ( 0.000 -0.000 0.000) 0.000 26.978 ( 0.000 -0.000 0.000) 0.000 27.872 ( 0.000 0.000 -0.000) 0.000 27.882 ( -0.000 -0.000 0.000) 0.000 28.100 ( 0.000 0.000 -0.000) 0.000 28.299 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 19.895 -0.000 17.271) 26.345 0.581 ( 27.289 -0.000 8.805) 28.675 0.724 ( 5.616 -0.000 5.880) 8.131 1.112 ( 34.680 -0.000 45.402) 57.132 1.751 ( -5.872 0.000 -11.886) 13.257 2.087 ( -6.562 0.000 10.851) 12.681 2.138 ( -3.604 0.000 0.873) 3.708 2.331 ( 10.791 -0.000 -1.993) 10.973 2.439 ( -5.318 0.000 -11.231) 12.426 2.477 ( -2.541 0.000 -0.260) 2.554 2.900 ( 8.723 -0.000 1.904) 8.929 3.180 ( 2.184 -0.000 -11.436) 11.643 3.324 ( -5.765 0.000 -0.236) 5.769 3.333 ( -1.284 0.000 6.269) 6.399 3.435 ( -4.461 0.000 -14.818) 15.475 3.705 ( -4.871 0.000 2.760) 5.599 3.805 ( -3.598 0.000 -10.148) 10.767 3.979 ( -5.264 0.000 4.627) 7.008 4.056 ( -0.534 0.000 4.612) 4.643 4.217 ( -11.058 0.000 1.694) 11.187 4.356 ( 2.413 -0.000 -2.413) 3.413 4.360 ( 8.085 -0.000 8.594) 11.800 4.537 ( 6.792 -0.000 5.913) 9.005 5.002 ( -2.286 0.000 3.387) 4.086 5.125 ( 0.986 -0.000 -2.908) 3.071 5.218 ( -0.788 0.000 -3.049) 3.149 5.224 ( 0.436 -0.000 -0.656) 0.787 5.367 ( 3.550 -0.000 5.177) 6.278 5.498 ( 10.363 -0.000 -3.726) 11.013 5.580 ( 2.506 -0.000 -1.240) 2.796 5.583 ( 6.067 -0.000 -9.794) 11.521 5.657 ( 1.997 -0.000 -7.124) 7.399 6.028 ( -4.593 0.000 1.424) 4.808 6.117 ( -4.185 0.000 -3.534) 5.478 6.144 ( -10.195 0.000 12.895) 16.439 6.252 ( -1.426 0.000 0.612) 1.552 6.513 ( 3.401 -0.000 -12.269) 12.732 6.623 ( 1.987 -0.000 5.674) 6.012 6.839 ( -4.169 0.000 -4.206) 5.922 6.925 ( 1.002 -0.000 3.324) 3.472 6.965 ( -6.955 0.000 1.656) 7.150 7.132 ( -4.864 0.000 10.972) 12.002 7.352 ( -2.278 0.000 -1.252) 2.599 7.485 ( 2.159 -0.000 1.112) 2.428 7.506 ( 1.556 -0.000 -2.134) 2.641 7.670 ( -12.507 0.000 -1.338) 12.578 7.856 ( -7.185 0.000 -2.038) 7.469 8.012 ( 11.876 -0.000 -15.468) 19.501 8.585 ( -12.267 0.000 30.892) 33.239 8.934 ( -0.994 0.000 1.580) 1.866 9.173 ( 1.310 -0.000 4.373) 4.566 9.210 ( 0.726 -0.000 3.120) 3.203 9.874 ( 2.468 -0.000 0.639) 2.549 9.910 ( 6.376 -0.000 -0.100) 6.376 9.916 ( -3.230 0.000 4.888) 5.859 9.943 ( -7.105 0.000 13.110) 14.911 10.583 ( -0.703 0.000 -1.490) 1.648 10.601 ( -3.375 0.000 1.880) 3.863 10.823 ( -6.138 0.000 -2.439) 6.605 11.021 ( -4.453 0.000 -0.569) 4.489 11.260 ( -0.299 0.000 11.005) 11.009 11.809 ( 4.473 -0.000 6.272) 7.703 12.206 ( -1.463 0.000 -3.195) 3.514 12.244 ( -17.896 0.000 -3.478) 18.231 12.670 ( 2.354 -0.000 0.485) 2.403 13.309 ( 8.503 -0.000 11.093) 13.977 13.512 ( 8.592 -0.000 -11.639) 14.467 13.891 ( -5.879 0.000 6.466) 8.739 14.199 ( 4.786 -0.000 -8.454) 9.715 14.452 ( 20.326 -0.000 -17.965) 27.127 14.457 ( -7.332 0.000 -1.834) 7.558 14.701 ( 1.334 -0.000 2.239) 2.606 14.760 ( -1.697 0.000 -1.589) 2.325 14.847 ( 1.788 -0.000 0.296) 1.812 15.125 ( -0.490 0.000 3.839) 3.870 15.261 ( 2.836 -0.000 -4.171) 5.044 15.578 ( -4.249 0.000 -0.207) 4.254 15.633 ( -0.046 0.000 1.145) 1.146 15.769 ( 0.682 -0.000 -1.497) 1.645 16.236 ( 8.498 -0.000 -16.860) 18.880 24.620 ( 0.227 -0.000 1.249) 1.270 24.780 ( 0.579 -0.000 -0.655) 0.874 24.847 ( -0.986 0.000 0.555) 1.132 24.900 ( -0.460 0.000 0.551) 0.717 25.017 ( -8.979 0.000 16.678) 18.941 25.358 ( 2.863 -0.000 3.434) 4.471 25.452 ( -2.255 0.000 -1.088) 2.504 25.506 ( 0.203 -0.000 1.333) 1.348 25.929 ( -7.180 0.000 14.646) 16.312 26.153 ( 0.134 -0.000 -1.352) 1.359 26.177 ( 0.023 -0.000 -2.021) 2.021 26.866 ( -3.531 0.000 4.461) 5.689 27.235 ( -0.744 0.000 0.157) 0.761 27.477 ( -2.202 0.000 -0.460) 2.250 28.207 ( 3.238 -0.000 -7.985) 8.617 29.855 ( 15.798 -0.000 -25.502) 29.999 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 20.254 -10.858 8.193) 24.397 0.978 ( 13.827 -14.617 10.344) 22.624 1.164 ( 3.286 -28.133 8.226) 29.494 1.611 ( 10.826 -3.507 19.133) 22.261 1.802 ( 10.514 -13.122 7.038) 18.228 2.142 ( -9.231 -7.290 7.121) 13.750 2.311 ( -1.951 -16.512 2.470) 16.809 2.351 ( -2.717 -2.654 -7.909) 8.774 2.478 ( 6.704 -7.560 -4.809) 11.190 2.544 ( 2.272 -9.221 1.072) 9.557 3.005 ( 6.037 -1.746 2.200) 6.658 3.063 ( 0.354 5.272 -9.299) 10.696 3.211 ( -6.437 5.569 -5.810) 10.306 3.300 ( -4.560 0.045 -0.427) 4.580 3.433 ( -0.660 -7.436 -0.603) 7.490 3.633 ( -8.466 0.433 -6.641) 10.769 3.797 ( -1.043 -1.721 -3.921) 4.407 3.889 ( -3.428 3.645 4.057) 6.441 4.058 ( -15.007 -1.439 2.668) 15.311 4.193 ( 2.009 -0.627 -1.398) 2.526 4.364 ( 4.164 2.118 1.764) 4.994 4.482 ( 7.385 -0.454 10.846) 13.130 4.594 ( 5.133 2.102 5.110) 7.542 5.006 ( -2.465 0.554 3.270) 4.132 5.102 ( -5.900 -1.373 -4.190) 7.366 5.205 ( -2.264 -3.008 -1.069) 3.914 5.255 ( -0.403 -2.601 -1.740) 3.156 5.380 ( 3.543 6.840 1.874) 7.927 5.506 ( 4.697 0.324 -5.872) 7.526 5.538 ( 3.387 1.493 -6.768) 7.713 5.642 ( 6.937 -1.638 -3.920) 8.135 5.758 ( 6.740 -6.311 -0.857) 9.273 6.001 ( -1.117 4.937 -1.193) 5.200 6.032 ( -6.013 -4.069 -5.687) 9.223 6.127 ( -3.910 1.732 5.562) 7.016 6.290 ( -2.965 -3.880 0.322) 4.894 6.439 ( 1.074 4.095 -7.899) 8.962 6.603 ( -4.361 5.682 -0.057) 7.163 6.693 ( -2.175 6.852 -1.991) 7.460 6.855 ( -2.767 3.233 2.229) 4.804 6.989 ( -1.633 -3.405 4.485) 5.863 7.258 ( -1.179 -8.199 3.981) 9.191 7.335 ( -4.157 -0.730 3.180) 5.285 7.462 ( 2.811 0.628 -1.313) 3.165 7.531 ( -2.137 -4.129 -2.225) 5.154 7.642 ( -7.082 -3.704 -0.034) 7.992 7.734 ( -2.687 0.172 1.461) 3.063 8.045 ( 5.948 -0.964 -6.539) 8.892 8.552 ( -4.562 2.198 10.625) 11.770 8.933 ( -0.813 -0.095 1.671) 1.861 9.231 ( 1.148 -2.344 1.197) 2.871 9.530 ( 1.496 -14.022 -3.889) 14.628 9.847 ( 0.723 1.563 0.240) 1.738 9.945 ( -2.868 -4.661 5.183) 7.537 10.042 ( 7.086 -7.296 0.114) 10.172 10.087 ( -4.051 -9.946 3.248) 11.220 10.536 ( -1.771 2.295 -1.926) 3.481 10.612 ( -4.055 -1.792 5.286) 6.899 10.784 ( -3.384 -3.163 -3.060) 5.552 11.000 ( -2.502 -1.296 -2.370) 3.682 11.242 ( 2.810 6.732 7.107) 10.185 11.848 ( 4.025 2.528 4.641) 6.643 12.031 ( -23.266 3.251 2.284) 23.603 12.163 ( -9.101 0.942 -0.641) 9.172 12.740 ( 8.389 -1.918 -0.343) 8.612 13.392 ( 4.525 3.444 3.045) 6.451 13.582 ( 6.437 -2.924 -2.820) 7.612 13.838 ( 2.852 5.237 4.568) 7.512 14.141 ( 3.826 5.414 -10.096) 12.078 14.321 ( 7.329 12.213 -2.833) 14.522 14.370 ( -4.300 2.146 -1.550) 5.050 14.635 ( 0.037 6.654 -1.292) 6.779 14.816 ( 1.004 5.070 1.032) 5.270 14.860 ( 2.826 -5.300 1.165) 6.118 15.117 ( 1.392 3.434 3.441) 5.057 15.272 ( 3.704 2.206 -4.535) 6.257 15.475 ( 0.507 2.784 0.389) 2.857 15.587 ( -2.434 -2.768 -1.072) 3.839 15.808 ( 0.381 -1.193 1.375) 1.860 16.234 ( 0.921 -0.037 -8.458) 8.508 24.639 ( 0.678 -1.034 1.034) 1.612 24.783 ( 0.942 -0.063 -1.322) 1.625 24.835 ( -1.294 0.507 0.752) 1.580 24.907 ( -0.766 -0.708 0.594) 1.200 25.009 ( -1.902 1.434 7.747) 8.104 25.434 ( -2.316 -1.038 0.239) 2.550 25.455 ( 1.735 -3.163 0.451) 3.635 25.569 ( -1.814 -5.079 1.919) 5.725 25.841 ( 1.060 6.354 2.434) 6.886 26.043 ( -0.445 1.397 0.059) 1.468 26.559 ( -10.646 -22.088 -1.654) 24.575 26.861 ( -6.460 -1.961 4.246) 7.975 27.291 ( -2.109 -8.024 -0.097) 8.298 27.503 ( -2.086 -5.003 0.338) 5.431 28.167 ( 4.969 2.923 -9.413) 11.038 29.497 ( 20.725 32.571 -4.821) 38.906 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 9.848 -5.207 5.627) 12.480 1.389 ( 6.007 -16.832 3.361) 18.185 1.644 ( 1.331 -20.110 -0.198) 20.154 1.866 ( 6.884 -10.926 12.182) 17.752 2.200 ( 8.691 -9.786 10.565) 16.820 2.230 ( -8.164 -8.319 3.968) 12.312 2.362 ( 0.031 -4.290 -5.487) 6.965 2.553 ( -0.013 -11.646 -1.233) 11.711 2.630 ( -0.128 -4.167 -1.779) 4.533 2.788 ( -0.477 -10.752 1.426) 10.857 2.973 ( -4.722 4.425 1.317) 6.604 3.044 ( 0.150 -6.800 -3.128) 7.487 3.079 ( 0.666 1.759 -1.114) 2.186 3.301 ( -2.176 -1.320 -3.507) 4.333 3.504 ( -7.998 0.748 -4.851) 9.384 3.667 ( 1.364 -10.834 4.853) 11.950 3.696 ( -0.928 -0.710 -6.376) 6.482 3.921 ( 4.059 -0.589 -3.856) 5.629 3.966 ( -8.409 -0.993 6.423) 10.628 4.173 ( 1.492 3.017 -1.648) 3.748 4.387 ( 4.872 3.770 9.048) 10.946 4.563 ( 4.770 1.361 4.422) 6.645 4.652 ( 2.603 -0.799 6.250) 6.817 4.972 ( -3.402 0.192 -0.012) 3.408 5.089 ( -4.414 -2.568 -5.680) 7.638 5.178 ( -3.925 0.245 -1.664) 4.270 5.293 ( -1.067 -0.179 2.253) 2.499 5.318 ( 6.996 2.234 -2.254) 7.683 5.440 ( -3.097 -0.627 -5.286) 6.159 5.593 ( 2.739 -1.539 -2.185) 3.827 5.684 ( 6.725 0.232 -4.457) 8.072 5.849 ( 1.446 4.919 -1.015) 5.226 5.958 ( 2.985 -3.270 -0.287) 4.437 6.024 ( -4.311 -3.945 -8.281) 10.135 6.094 ( -0.398 2.649 4.702) 5.412 6.244 ( -4.876 2.881 -5.662) 8.008 6.328 ( -4.521 5.526 -3.416) 7.916 6.446 ( 1.577 2.546 0.925) 3.134 6.630 ( -1.323 0.727 0.670) 1.652 6.808 ( -1.764 2.428 3.324) 4.478 7.074 ( -1.514 -5.466 2.484) 6.192 7.270 ( -5.159 0.211 1.457) 5.365 7.446 ( -1.053 -5.498 1.944) 5.926 7.507 ( 0.843 -3.852 -0.569) 3.984 7.617 ( -0.505 -7.036 0.215) 7.057 7.641 ( -2.986 -4.280 -1.662) 5.477 7.814 ( -2.401 -7.584 0.541) 7.973 8.087 ( 5.523 -1.321 -3.376) 6.606 8.541 ( -3.423 0.571 5.369) 6.393 8.949 ( 0.172 -1.234 1.238) 1.757 9.303 ( 0.882 -3.514 1.661) 3.986 9.645 ( 3.729 -1.815 -4.080) 5.817 9.817 ( 0.824 0.749 -4.292) 4.434 10.045 ( -4.064 -5.099 6.206) 9.002 10.164 ( -3.543 -2.667 -4.251) 6.143 10.274 ( 9.104 -6.853 1.685) 11.519 10.512 ( 0.215 -3.657 -0.978) 3.792 10.611 ( -2.869 1.527 4.587) 5.622 10.863 ( 3.542 -3.385 1.041) 5.009 11.013 ( -2.099 -6.362 -4.864) 8.279 11.166 ( 4.929 8.787 5.613) 11.532 11.735 ( -22.172 8.037 5.173) 24.144 11.827 ( -1.308 4.469 -2.904) 5.488 12.086 ( -9.863 -0.915 7.606) 12.489 12.834 ( 10.399 0.184 -3.752) 11.057 13.341 ( 0.449 3.482 -2.114) 4.098 13.526 ( 4.091 11.399 2.736) 12.416 13.879 ( 7.528 3.002 2.905) 8.609 14.029 ( 2.857 1.759 -3.312) 4.715 14.222 ( -1.283 1.241 -0.773) 1.945 14.295 ( -1.100 3.133 -3.438) 4.780 14.526 ( 0.473 5.429 1.524) 5.658 14.711 ( -2.443 6.132 1.989) 6.894 14.875 ( -2.046 3.462 2.225) 4.596 15.065 ( 6.420 4.688 -0.278) 7.954 15.298 ( 5.008 -1.350 -2.877) 5.932 15.490 ( -0.640 -2.641 -0.458) 2.756 15.637 ( -0.705 -3.721 -2.761) 4.687 15.828 ( -1.630 -1.510 3.242) 3.930 16.159 ( -1.633 3.408 -6.123) 7.195 24.675 ( 0.737 -1.669 0.858) 2.016 24.774 ( 0.353 0.802 -1.993) 2.177 24.833 ( -0.372 -0.612 1.638) 1.788 24.909 ( -1.008 -0.021 0.377) 1.076 25.015 ( 0.075 0.723 4.373) 4.433 25.418 ( -3.066 -0.448 -2.046) 3.713 25.519 ( 2.535 -0.546 2.515) 3.612 25.633 ( -2.883 -4.300 -2.432) 5.720 25.800 ( 2.211 1.133 3.979) 4.691 26.036 ( 1.643 1.535 1.923) 2.959 26.710 ( -6.520 -7.214 -3.540) 10.347 26.883 ( -7.222 -5.086 1.228) 8.918 27.471 ( -5.772 -14.599 -0.451) 15.705 27.613 ( -3.470 -8.802 1.213) 9.538 28.107 ( 6.320 3.835 -6.903) 10.114 29.098 ( 17.125 29.304 0.573) 33.945 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.708 -1.950 3.184) 3.800 1.692 ( 6.473 -9.413 -0.021) 11.424 1.876 ( -5.078 -7.531 -4.320) 10.058 2.096 ( 6.372 -1.239 9.845) 11.792 2.356 ( -1.089 -4.863 2.320) 5.497 2.364 ( 2.079 -3.635 5.110) 6.606 2.458 ( 3.128 -5.907 -1.034) 6.763 2.620 ( -4.366 -0.829 0.981) 4.551 2.724 ( -0.137 -6.040 -3.982) 7.236 2.903 ( -5.234 -7.277 2.518) 9.311 2.993 ( 0.491 -6.704 2.166) 7.062 3.054 ( -0.022 1.848 -1.349) 2.288 3.149 ( -2.703 -3.032 -7.734) 8.736 3.262 ( -0.652 -2.534 -0.049) 2.617 3.340 ( -4.567 4.503 -5.054) 8.165 3.705 ( -7.867 -4.636 -5.020) 10.421 3.826 ( 0.534 -0.665 2.835) 2.961 3.904 ( 1.499 0.529 0.743) 1.755 4.120 ( -0.750 1.076 0.346) 1.357 4.156 ( 12.425 -5.754 6.582) 15.193 4.393 ( 5.688 5.996 11.774) 14.385 4.603 ( 1.841 -0.286 -0.834) 2.041 4.667 ( -0.735 1.068 -0.020) 1.297 4.926 ( -2.696 1.382 -0.137) 3.032 5.054 ( -0.485 -2.271 -6.139) 6.563 5.209 ( 1.780 -2.604 -0.306) 3.169 5.296 ( -1.883 0.250 2.692) 3.295 5.356 ( 4.271 -0.809 0.787) 4.418 5.407 ( -5.920 -2.531 -1.472) 6.604 5.583 ( 0.047 -0.254 -5.375) 5.382 5.700 ( -3.157 7.602 -3.253) 8.851 5.735 ( 4.006 -0.401 0.642) 4.077 5.956 ( -4.517 -0.172 -4.782) 6.580 6.048 ( -0.582 -0.310 -0.510) 0.834 6.115 ( 4.246 -1.738 1.086) 4.714 6.166 ( -0.130 -0.950 -0.402) 1.040 6.228 ( -3.144 -1.418 -5.295) 6.319 6.473 ( 4.743 0.680 3.391) 5.870 6.623 ( -1.192 0.265 1.945) 2.296 6.760 ( -1.834 2.534 2.295) 3.880 7.175 ( -1.882 -6.529 0.107) 6.796 7.242 ( -4.728 -0.690 1.854) 5.125 7.474 ( 0.709 0.343 -2.221) 2.357 7.585 ( -1.929 -4.102 -0.577) 4.569 7.667 ( 0.463 -2.112 -1.934) 2.901 7.788 ( 0.645 -7.662 0.270) 7.694 7.917 ( -1.986 -5.968 -0.343) 6.299 8.143 ( 4.325 -0.777 -0.516) 4.424 8.529 ( -0.868 0.870 3.993) 4.178 8.983 ( 0.176 -1.204 0.481) 1.308 9.373 ( 0.292 -2.171 2.679) 3.460 9.661 ( 0.800 0.490 -1.063) 1.418 9.796 ( -1.352 -0.822 -4.328) 4.609 10.092 ( -1.187 -1.895 -12.676) 12.872 10.143 ( -1.675 -2.809 7.155) 7.867 10.420 ( 5.342 1.010 5.798) 7.948 10.574 ( -2.194 -1.658 3.757) 4.656 10.652 ( 7.059 -4.233 -2.888) 8.723 10.864 ( 3.082 5.103 -1.882) 6.252 11.066 ( 4.839 10.399 5.408) 12.681 11.203 ( 3.702 -13.825 -2.529) 14.534 11.441 ( -15.131 7.400 3.941) 17.298 11.688 ( -12.349 2.976 1.712) 12.817 12.092 ( -2.821 -2.243 0.576) 3.650 12.856 ( 7.422 2.880 -4.421) 9.107 13.296 ( 0.707 1.039 0.299) 1.292 13.382 ( 2.413 8.785 1.495) 9.232 13.796 ( -0.161 6.068 -1.052) 6.160 14.106 ( 1.981 -2.597 4.742) 5.759 14.182 ( 0.633 5.392 -3.788) 6.619 14.234 ( -3.646 -3.690 0.031) 5.188 14.453 ( 4.021 5.669 0.395) 6.961 14.645 ( -3.180 -1.269 2.733) 4.381 14.808 ( -0.615 3.210 1.229) 3.492 15.036 ( 4.831 4.318 -0.516) 6.500 15.327 ( 3.033 0.658 -1.152) 3.311 15.533 ( -0.184 -1.832 0.988) 2.089 15.646 ( -1.259 -1.447 -4.427) 4.825 15.901 ( -0.299 -4.909 3.601) 6.096 16.037 ( -3.122 4.281 -5.030) 7.306 24.716 ( 0.657 -1.751 0.874) 2.064 24.748 ( -0.200 1.059 -1.223) 1.630 24.855 ( 0.366 -0.399 1.161) 1.281 24.898 ( -0.833 0.079 -0.135) 0.848 25.022 ( 0.274 0.905 2.277) 2.465 25.392 ( -1.845 -0.880 -1.942) 2.820 25.534 ( 1.414 1.802 1.890) 2.970 25.657 ( -2.771 -3.193 -4.303) 6.032 25.867 ( 4.228 -1.299 7.331) 8.562 26.013 ( 0.657 2.788 0.644) 2.936 26.761 ( -0.950 -4.707 -1.709) 5.097 26.914 ( -4.732 -4.220 -2.878) 6.963 27.668 ( -7.188 -13.354 -0.783) 15.186 27.733 ( -6.546 -8.467 -2.067) 10.900 28.084 ( 5.781 2.039 -0.080) 6.130 28.734 ( 11.921 25.755 1.364) 28.413 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -4.766 6.004 0.288) 7.671 1.767 ( -4.485 2.910 -4.009) 6.682 1.874 ( -0.055 0.079 -6.283) 6.284 2.134 ( 6.338 4.749 7.859) 11.157 2.420 ( 0.941 2.195 3.290) 4.065 2.463 ( 2.529 -1.240 2.208) 3.579 2.495 ( 0.330 2.700 4.191) 4.996 2.581 ( -2.510 3.257 -5.463) 6.838 2.755 ( -3.113 -2.138 2.727) 4.658 2.981 ( -1.242 2.238 -1.085) 2.780 3.013 ( -5.771 -6.432 -8.550) 12.156 3.115 ( 6.249 -0.610 -0.727) 6.320 3.143 ( -1.373 -6.305 -0.305) 6.460 3.297 ( 3.617 -1.291 -2.159) 4.406 3.368 ( -2.338 -8.356 4.722) 9.878 3.665 ( -9.024 -4.392 -3.985) 10.798 3.780 ( 0.399 6.862 -1.097) 6.960 3.925 ( 2.059 -0.366 0.663) 2.194 4.136 ( -2.389 -1.412 8.901) 9.324 4.252 ( 10.118 6.706 -2.861) 12.471 4.383 ( 5.731 8.235 8.508) 13.154 4.547 ( -3.002 3.215 -4.964) 6.632 4.618 ( -1.094 2.387 -4.126) 4.891 4.951 ( 1.385 -2.573 3.201) 4.335 5.075 ( 0.413 -0.612 -0.839) 1.118 5.211 ( -1.782 1.576 -3.618) 4.330 5.288 ( -1.269 -1.929 4.968) 5.478 5.414 ( 0.753 -0.792 -0.913) 1.423 5.465 ( 2.458 -5.813 -5.319) 8.254 5.535 ( -4.452 0.268 0.085) 4.461 5.619 ( 1.958 0.138 4.561) 4.966 5.751 ( -2.394 -1.248 1.277) 2.987 5.865 ( -4.831 2.355 -3.377) 6.347 6.082 ( 3.029 -1.366 -2.492) 4.153 6.186 ( 0.890 -5.234 3.173) 6.185 6.233 ( -1.325 -3.143 -3.721) 5.048 6.260 ( 4.703 -3.887 1.855) 6.377 6.508 ( 3.152 2.072 5.645) 6.790 6.602 ( -0.555 2.107 0.691) 2.286 6.735 ( 0.008 -0.107 0.651) 0.660 7.223 ( -3.356 0.242 0.259) 3.375 7.276 ( 0.448 -5.876 -2.284) 6.320 7.425 ( -1.022 3.654 -1.935) 4.259 7.579 ( -3.123 1.092 -3.842) 5.070 7.701 ( 2.158 -0.717 -0.335) 2.299 7.856 ( -0.084 -0.110 -1.378) 1.385 8.001 ( 0.853 -3.155 0.993) 3.416 8.160 ( 1.114 1.795 1.664) 2.690 8.563 ( 3.574 -1.325 3.033) 4.871 8.979 ( -1.059 1.363 -0.140) 1.732 9.404 ( 0.060 0.979 3.840) 3.963 9.629 ( -3.282 1.608 0.018) 3.655 9.771 ( -3.045 -1.691 -4.309) 5.541 10.075 ( 2.440 -2.054 -8.917) 9.470 10.244 ( -1.075 -3.851 3.706) 5.451 10.412 ( 6.324 3.851 3.059) 8.011 10.606 ( 3.334 2.516 -0.986) 4.292 10.719 ( -5.014 2.460 -1.491) 5.780 10.788 ( 6.858 0.348 2.280) 7.235 10.936 ( -0.922 7.291 3.694) 8.225 11.228 ( -7.817 6.039 4.024) 10.666 11.505 ( -0.124 -8.702 -7.659) 11.594 11.632 ( -1.956 -9.740 8.882) 13.326 12.123 ( 1.780 -5.036 -8.960) 10.431 12.834 ( 1.908 2.325 0.114) 3.010 13.255 ( -0.879 6.543 -0.624) 6.631 13.316 ( 1.710 -1.090 1.556) 2.556 13.694 ( -3.766 3.122 -0.490) 4.916 14.072 ( -0.604 4.764 -0.863) 4.879 14.146 ( -3.853 -0.347 4.101) 5.638 14.319 ( 0.029 -7.462 -0.770) 7.501 14.426 ( 5.881 1.969 0.655) 6.237 14.705 ( 1.801 -4.181 0.128) 4.554 14.761 ( -0.320 2.383 0.695) 2.503 14.980 ( 0.951 3.968 -0.261) 4.089 15.323 ( 0.650 1.744 1.665) 2.498 15.546 ( 0.395 -0.357 -1.535) 1.625 15.671 ( -0.630 -3.100 0.542) 3.210 15.895 ( -1.908 4.468 -5.070) 7.022 16.024 ( -0.866 -5.593 2.537) 6.202 24.720 ( -0.251 1.337 -0.510) 1.453 24.758 ( 0.515 -1.636 1.231) 2.112 24.845 ( -0.343 1.352 -0.445) 1.464 24.908 ( 0.324 -1.019 0.162) 1.081 25.006 ( -0.228 1.534 0.367) 1.593 25.414 ( 0.402 -2.899 -0.828) 3.042 25.513 ( 0.354 1.814 1.097) 2.150 25.654 ( -2.462 -1.158 -3.960) 4.804 25.923 ( 0.607 3.194 5.083) 6.034 26.011 ( 4.801 -1.400 2.488) 5.586 26.850 ( 3.005 -3.959 1.387) 5.160 26.921 ( -2.048 -2.536 -6.129) 6.942 27.746 ( -6.936 -4.563 -8.979) 12.229 27.834 ( -4.500 -9.037 2.756) 10.465 28.104 ( -0.103 2.141 3.484) 4.091 28.417 ( 6.502 17.892 2.526) 19.203 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -5.010 13.228 -0.783) 14.167 1.475 ( -5.262 18.112 -8.501) 20.688 1.860 ( 3.631 5.516 1.443) 6.760 2.066 ( 1.441 12.409 5.668) 13.718 2.188 ( -4.232 17.214 -5.905) 18.684 2.367 ( -0.451 9.183 -3.955) 10.009 2.479 ( 2.223 3.468 2.998) 5.095 2.627 ( 1.059 -6.452 4.498) 7.936 2.725 ( -1.389 3.363 -0.262) 3.648 2.922 ( -1.982 3.944 -3.631) 5.716 2.999 ( 0.250 5.815 1.653) 6.050 3.093 ( 0.159 3.974 -2.794) 4.861 3.236 ( 5.598 -5.718 2.911) 8.515 3.402 ( -1.709 -6.799 -1.850) 7.251 3.547 ( -0.561 -0.422 0.795) 1.060 3.654 ( -0.828 -8.132 4.408) 9.287 3.758 ( -0.937 -7.246 -5.223) 8.981 3.908 ( 0.292 4.717 5.026) 6.898 4.058 ( 0.487 10.911 -3.658) 11.518 4.243 ( 0.515 -1.925 6.289) 6.597 4.301 ( 2.441 6.921 2.518) 7.759 4.453 ( 2.556 3.258 -5.640) 6.997 4.517 ( -3.023 4.005 -5.154) 7.193 5.023 ( 2.115 -2.624 0.179) 3.375 5.054 ( -0.583 1.042 -0.749) 1.409 5.156 ( -2.051 0.183 -1.088) 2.329 5.343 ( -3.988 1.303 -2.207) 4.741 5.410 ( 2.630 -2.977 7.451) 8.444 5.495 ( 0.743 -0.217 -4.155) 4.227 5.606 ( -1.929 -3.446 3.655) 5.381 5.662 ( 4.460 1.306 5.281) 7.035 5.771 ( -2.346 0.190 -0.780) 2.479 5.787 ( -3.728 -2.513 -2.907) 5.354 6.113 ( 3.698 -0.656 -2.548) 4.539 6.252 ( -4.718 -2.151 0.843) 5.253 6.323 ( 2.202 -5.360 4.362) 7.253 6.384 ( 5.653 -3.544 1.340) 6.805 6.534 ( 2.513 -0.721 2.594) 3.683 6.570 ( -0.601 -1.093 -1.645) 2.064 6.770 ( 1.263 -1.951 3.083) 3.861 7.148 ( -1.082 5.565 -2.971) 6.401 7.302 ( -0.718 3.779 -2.641) 4.666 7.385 ( -2.667 -4.346 -1.639) 5.356 7.485 ( -1.243 4.681 -1.976) 5.230 7.693 ( 0.982 3.343 -0.159) 3.488 7.800 ( 0.645 5.530 -1.194) 5.694 8.026 ( 2.132 2.484 0.796) 3.369 8.134 ( -0.015 2.399 2.441) 3.422 8.642 ( 4.364 -1.546 1.562) 4.887 8.935 ( -0.954 1.619 -0.274) 1.899 9.376 ( 0.752 4.620 2.886) 5.499 9.557 ( -5.607 1.208 -0.927) 5.810 9.775 ( -0.955 -2.099 -2.208) 3.193 10.070 ( 0.930 1.504 -3.288) 3.733 10.229 ( -2.447 3.553 0.910) 4.410 10.472 ( 8.763 1.356 3.292) 9.459 10.582 ( 4.833 1.173 -3.899) 6.319 10.619 ( -2.569 -0.131 -1.474) 2.965 10.800 ( -6.842 4.910 1.974) 8.650 10.904 ( 2.931 -2.147 0.879) 3.738 11.119 ( -1.739 2.416 5.256) 6.040 11.486 ( -8.929 -4.111 -6.312) 11.682 12.026 ( 11.573 -16.851 8.722) 22.225 12.232 ( 4.435 -9.950 -12.319) 16.444 12.814 ( -1.957 0.960 4.136) 4.675 13.132 ( -4.508 3.147 -1.579) 5.720 13.372 ( 3.585 -1.932 -0.307) 4.084 13.604 ( -6.584 2.196 0.292) 6.947 14.007 ( -0.399 1.570 0.708) 1.768 14.129 ( -3.474 -0.698 0.723) 3.616 14.466 ( 5.325 -2.559 -0.571) 5.935 14.480 ( 1.261 -6.839 1.415) 7.096 14.697 ( -0.592 4.020 0.545) 4.100 14.819 ( 1.290 -6.157 -1.052) 6.378 14.936 ( -0.517 1.038 0.673) 1.340 15.294 ( -0.071 1.975 0.673) 2.088 15.549 ( 0.325 0.361 -0.124) 0.501 15.716 ( -0.407 -0.373 3.500) 3.543 15.781 ( -1.207 3.377 -5.197) 6.314 16.126 ( -0.718 -5.376 1.258) 5.568 24.687 ( -0.175 1.877 -0.203) 1.896 24.794 ( 0.122 -0.679 2.177) 2.284 24.817 ( -0.085 0.328 -1.728) 1.761 24.926 ( 0.464 -0.395 -0.068) 0.613 24.976 ( -0.338 1.354 -0.526) 1.491 25.464 ( 1.547 -1.013 -1.281) 2.250 25.507 ( -0.272 -0.946 2.058) 2.281 25.616 ( -1.803 1.194 -3.060) 3.747 25.884 ( -0.582 2.198 1.845) 2.928 26.102 ( 5.635 -0.749 4.127) 7.025 26.893 ( -1.434 -0.332 -3.473) 3.772 26.976 ( 6.200 -4.008 -0.006) 7.383 27.703 ( -1.798 -0.661 -6.839) 7.102 27.942 ( 1.556 10.603 -2.290) 10.959 27.975 ( -4.344 -4.484 5.694) 8.450 28.287 ( -5.487 1.891 2.843) 6.462 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.000 18.683 -0.000) 18.683 1.023 ( 0.000 25.717 -0.000) 25.717 1.490 ( 0.000 34.357 -0.000) 34.357 1.706 ( 0.000 31.004 -0.000) 31.004 2.011 ( 0.000 0.654 -0.000) 0.654 2.196 ( 0.000 7.656 -0.000) 7.656 2.399 ( 0.000 7.075 -0.000) 7.075 2.627 ( 0.000 5.997 -0.000) 5.997 2.727 ( 0.000 4.030 -0.000) 4.030 2.747 ( 0.000 16.117 -0.000) 16.117 2.913 ( -0.000 -4.652 0.000) 4.652 2.967 ( 0.000 7.601 -0.000) 7.601 3.366 ( 0.000 1.351 -0.000) 1.351 3.465 ( 0.000 4.053 -0.000) 4.053 3.476 ( -0.000 -5.491 0.000) 5.491 3.808 ( 0.000 1.285 -0.000) 1.285 3.881 ( -0.000 -4.272 0.000) 4.272 3.918 ( -0.000 -2.952 0.000) 2.952 3.952 ( -0.000 -9.445 0.000) 9.445 4.170 ( 0.000 6.738 -0.000) 6.738 4.320 ( -0.000 -1.390 0.000) 1.390 4.394 ( 0.000 1.953 -0.000) 1.953 4.460 ( -0.000 -1.743 0.000) 1.743 5.017 ( 0.000 1.142 -0.000) 1.142 5.127 ( -0.000 -6.710 0.000) 6.710 5.152 ( -0.000 -0.633 0.000) 0.633 5.282 ( 0.000 2.900 -0.000) 2.900 5.416 ( 0.000 3.967 -0.000) 3.967 5.521 ( -0.000 -1.205 0.000) 1.205 5.616 ( 0.000 2.256 -0.000) 2.256 5.671 ( 0.000 3.908 -0.000) 3.908 5.692 ( 0.000 1.895 -0.000) 1.895 5.867 ( -0.000 -6.875 0.000) 6.875 6.145 ( -0.000 -1.868 0.000) 1.868 6.242 ( 0.000 0.656 -0.000) 0.656 6.381 ( 0.000 0.542 -0.000) 0.542 6.491 ( -0.000 -2.875 0.000) 2.875 6.635 ( -0.000 -8.794 0.000) 8.794 6.644 ( -0.000 -7.116 0.000) 7.116 6.840 ( -0.000 -2.954 0.000) 2.954 7.016 ( 0.000 6.354 -0.000) 6.354 7.190 ( 0.000 5.530 -0.000) 5.530 7.386 ( 0.000 5.405 -0.000) 5.405 7.422 ( -0.000 -0.930 0.000) 0.930 7.614 ( 0.000 4.759 -0.000) 4.759 7.670 ( 0.000 8.266 -0.000) 8.266 7.966 ( 0.000 5.292 -0.000) 5.292 8.096 ( 0.000 2.707 -0.000) 2.707 8.677 ( 0.000 1.158 -0.000) 1.158 8.919 ( -0.000 -0.186 0.000) 0.186 9.282 ( 0.000 6.040 -0.000) 6.040 9.528 ( -0.000 -1.563 0.000) 1.563 9.792 ( -0.000 -0.771 0.000) 0.771 10.012 ( 0.000 3.623 -0.000) 3.623 10.129 ( 0.000 6.765 -0.000) 6.765 10.536 ( -0.000 -2.203 0.000) 2.203 10.607 ( 0.000 6.822 -0.000) 6.822 10.613 ( -0.000 -3.180 0.000) 3.180 10.656 ( -0.000 -0.643 0.000) 0.643 10.962 ( -0.000 -2.918 0.000) 2.918 11.135 ( -0.000 -0.609 0.000) 0.609 11.520 ( -0.000 -6.898 0.000) 6.898 12.356 ( -0.000 -6.735 0.000) 6.735 12.388 ( -0.000 -7.552 0.000) 7.552 12.845 ( -0.000 -4.986 0.000) 4.986 13.108 ( -0.000 -6.597 0.000) 6.597 13.410 ( 0.000 1.137 -0.000) 1.137 13.523 ( 0.000 2.166 -0.000) 2.166 14.033 ( -0.000 -4.631 0.000) 4.631 14.138 ( -0.000 -2.021 0.000) 2.021 14.527 ( -0.000 -2.357 0.000) 2.357 14.565 ( 0.000 2.224 -0.000) 2.224 14.684 ( -0.000 -5.767 0.000) 5.767 14.913 ( 0.000 2.725 -0.000) 2.725 14.934 ( -0.000 -6.651 0.000) 6.651 15.275 ( 0.000 0.424 -0.000) 0.424 15.523 ( 0.000 2.630 -0.000) 2.630 15.684 ( 0.000 3.495 -0.000) 3.495 15.723 ( 0.000 2.073 -0.000) 2.073 16.217 ( -0.000 -4.826 0.000) 4.826 24.650 ( 0.000 2.015 -0.000) 2.015 24.789 ( 0.000 0.720 -0.000) 0.720 24.834 ( -0.000 -1.485 0.000) 1.485 24.927 ( 0.000 0.446 -0.000) 0.446 24.954 ( 0.000 0.605 -0.000) 0.605 25.471 ( -0.000 -0.056 0.000) 0.056 25.531 ( 0.000 0.041 -0.000) 0.041 25.560 ( 0.000 2.649 -0.000) 2.649 25.855 ( 0.000 1.694 -0.000) 1.694 26.156 ( -0.000 -0.917 0.000) 0.917 26.873 ( 0.000 0.485 -0.000) 0.485 27.098 ( -0.000 -5.094 0.000) 5.094 27.705 ( 0.000 11.910 -0.000) 11.910 27.714 ( -0.000 -1.956 0.000) 1.956 28.099 ( -0.000 -6.379 0.000) 6.379 28.188 ( 0.000 4.030 -0.000) 4.030 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 5.345 -0.000 17.121) 17.936 0.982 ( 10.397 -0.000 14.213) 17.610 1.178 ( 28.842 -0.000 6.884) 29.652 1.592 ( 2.638 -0.000 -8.962) 9.342 1.877 ( -0.233 0.000 11.909) 11.911 2.015 ( -13.068 0.000 8.994) 15.864 2.206 ( 5.561 -0.000 3.519) 6.581 2.263 ( 10.044 -0.000 6.848) 12.156 2.422 ( 0.045 -0.000 -1.215) 1.216 2.543 ( 10.686 -0.000 1.731) 10.825 3.014 ( -2.337 0.000 -17.887) 18.039 3.052 ( 4.634 -0.000 3.849) 6.024 3.186 ( -7.991 0.000 -8.479) 11.651 3.223 ( -5.080 0.000 -3.014) 5.907 3.393 ( -0.855 0.000 6.870) 6.923 3.619 ( -8.184 0.000 1.730) 8.365 3.685 ( 2.930 -0.000 -10.610) 11.007 3.902 ( -4.304 0.000 -1.393) 4.524 3.931 ( -15.571 0.000 7.219) 17.163 4.202 ( 3.338 -0.000 0.547) 3.382 4.420 ( 4.835 -0.000 1.837) 5.172 4.594 ( 5.132 -0.000 11.907) 12.965 4.690 ( 3.799 -0.000 2.802) 4.721 4.949 ( -10.418 0.000 -8.406) 13.386 5.046 ( 1.521 -0.000 4.022) 4.300 5.176 ( -1.833 0.000 0.296) 1.857 5.237 ( 2.294 -0.000 0.675) 2.391 5.458 ( 1.665 -0.000 1.048) 1.968 5.500 ( -0.045 0.000 -10.434) 10.434 5.609 ( 3.491 -0.000 -5.065) 6.152 5.668 ( 2.175 -0.000 -2.488) 3.304 5.719 ( 15.092 -0.000 -3.166) 15.421 5.945 ( -1.960 0.000 -1.151) 2.273 6.041 ( -2.935 0.000 0.690) 3.015 6.153 ( -1.326 0.000 7.787) 7.899 6.219 ( -1.283 0.000 -1.137) 1.714 6.406 ( 0.570 -0.000 -13.148) 13.160 6.647 ( -6.581 0.000 -1.134) 6.677 6.765 ( 1.742 -0.000 1.708) 2.439 6.824 ( -10.404 0.000 0.706) 10.427 6.986 ( 0.797 -0.000 3.537) 3.626 7.178 ( -0.496 0.000 6.331) 6.350 7.290 ( -3.252 0.000 -0.964) 3.392 7.452 ( -5.220 0.000 -4.139) 6.662 7.463 ( -10.777 0.000 1.328) 10.858 7.543 ( 3.533 -0.000 0.273) 3.543 7.721 ( -4.692 0.000 -1.103) 4.820 8.071 ( 7.637 -0.000 -4.486) 8.857 8.653 ( -6.455 0.000 11.465) 13.157 8.932 ( -1.456 0.000 1.997) 2.471 9.260 ( -0.077 0.000 4.649) 4.650 9.273 ( 2.416 -0.000 8.843) 9.167 9.896 ( 1.164 -0.000 -4.736) 4.877 9.912 ( 3.317 -0.000 -4.013) 5.206 9.993 ( 1.273 -0.000 5.682) 5.823 10.039 ( 7.200 -0.000 0.329) 7.207 10.544 ( -0.697 0.000 -3.139) 3.215 10.600 ( 0.232 -0.000 4.168) 4.175 10.688 ( -6.086 0.000 -1.624) 6.298 10.973 ( -1.024 0.000 -0.840) 1.324 11.305 ( -5.358 0.000 3.513) 6.407 11.889 ( -2.335 0.000 4.558) 5.121 11.923 ( -16.274 0.000 4.605) 16.913 12.114 ( -5.546 0.000 -1.550) 5.758 12.828 ( 13.164 -0.000 2.593) 13.417 13.462 ( 1.157 -0.000 -13.390) 13.440 13.612 ( 8.434 -0.000 16.445) 18.482 13.882 ( -1.115 0.000 3.150) 3.341 14.172 ( 2.152 -0.000 -6.924) 7.250 14.315 ( -5.313 0.000 -2.504) 5.873 14.542 ( 4.498 -0.000 -10.143) 11.096 14.724 ( -1.662 0.000 2.278) 2.820 14.812 ( 9.715 -0.000 0.954) 9.762 14.882 ( 1.387 -0.000 0.728) 1.566 15.170 ( 1.366 -0.000 3.959) 4.188 15.257 ( 3.830 -0.000 -7.924) 8.801 15.505 ( -3.023 0.000 -1.111) 3.221 15.644 ( -0.920 0.000 2.290) 2.468 15.730 ( -3.346 0.000 -1.859) 3.828 16.186 ( 0.560 -0.000 -7.432) 7.453 24.642 ( 0.888 -0.000 0.988) 1.329 24.784 ( 1.214 -0.000 -1.440) 1.883 24.832 ( -1.747 0.000 1.219) 2.130 24.897 ( -0.628 0.000 0.708) 0.947 25.047 ( -3.088 0.000 8.489) 9.033 25.390 ( -2.772 0.000 -2.160) 3.515 25.475 ( 4.241 -0.000 6.376) 7.658 25.531 ( 1.222 -0.000 1.635) 2.042 25.965 ( -1.406 0.000 5.880) 6.046 26.145 ( 0.678 -0.000 -1.091) 1.285 26.150 ( 0.027 -0.000 -3.074) 3.074 26.788 ( -10.478 0.000 1.886) 10.646 27.222 ( -1.046 0.000 0.265) 1.079 27.452 ( -0.486 0.000 0.941) 1.059 28.185 ( 5.975 -0.000 -10.571) 12.142 29.857 ( 5.829 -0.000 -9.225) 10.912 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.554 -5.812 4.147) 7.161 1.219 ( 6.203 -16.184 12.990) 21.660 1.486 ( 22.976 -5.455 5.441) 24.233 1.736 ( 8.605 -12.327 -0.231) 15.035 2.008 ( -11.384 -10.273 8.587) 17.574 2.047 ( -8.132 -14.239 3.527) 16.772 2.212 ( 1.106 -6.624 -11.306) 13.150 2.472 ( -2.442 -6.645 -0.534) 7.100 2.501 ( 9.949 0.874 12.547) 16.037 2.717 ( 7.884 -4.633 2.176) 9.400 2.910 ( -1.654 -2.565 -10.727) 11.153 3.028 ( -5.112 5.279 1.177) 7.442 3.105 ( -0.353 0.551 -0.052) 0.657 3.249 ( -0.474 -6.634 0.420) 6.664 3.421 ( -7.415 6.012 -5.387) 10.961 3.527 ( 2.596 -10.048 9.469) 14.049 3.713 ( -2.567 3.082 -5.923) 7.153 3.843 ( -2.481 -2.734 -3.224) 4.902 3.912 ( -2.683 -3.070 5.703) 7.011 4.205 ( -0.028 1.072 -2.823) 3.020 4.487 ( 3.436 -1.364 4.441) 5.779 4.658 ( 1.555 1.989 4.089) 4.806 4.698 ( 1.265 1.930 1.811) 2.933 4.880 ( -4.961 -4.979 -1.499) 7.186 5.060 ( 0.322 2.855 3.141) 4.257 5.163 ( -1.527 0.334 1.807) 2.390 5.276 ( 1.862 -1.017 0.204) 2.131 5.398 ( -1.135 2.092 -8.708) 9.027 5.440 ( 0.915 4.394 -0.118) 4.490 5.582 ( 1.441 0.615 -2.923) 3.316 5.681 ( 3.835 -1.997 -10.486) 11.342 5.866 ( 1.835 -4.434 -0.424) 4.817 5.946 ( 7.015 1.797 -2.227) 7.576 5.986 ( -0.212 3.030 1.329) 3.315 6.171 ( 0.327 2.097 4.594) 5.060 6.209 ( -3.835 0.588 -1.749) 4.256 6.363 ( -1.352 -0.344 -5.589) 5.761 6.485 ( -4.847 5.857 -2.421) 7.979 6.698 ( -0.382 6.103 1.194) 6.230 6.803 ( -5.471 -1.935 2.163) 6.193 7.012 ( 0.638 -1.737 2.043) 2.756 7.233 ( -3.585 0.161 -1.104) 3.754 7.317 ( -3.109 -7.236 5.258) 9.470 7.428 ( -3.209 -7.337 -2.738) 8.463 7.441 ( -6.227 -3.205 -0.449) 7.017 7.581 ( 1.659 -1.610 -0.565) 2.380 7.711 ( -0.783 -2.906 0.030) 3.010 8.118 ( 7.471 -0.058 -1.995) 7.733 8.578 ( -4.974 3.900 7.301) 9.657 8.936 ( -0.916 -0.724 1.623) 2.000 9.271 ( 0.733 -1.685 3.115) 3.617 9.544 ( 0.373 -11.652 3.752) 12.247 9.834 ( 1.199 2.877 -4.854) 5.769 9.957 ( -0.242 -3.726 -1.221) 3.928 10.078 ( 1.528 -3.774 0.500) 4.102 10.188 ( 7.847 -10.193 -0.584) 12.877 10.496 ( 0.000 1.685 -1.303) 2.130 10.642 ( 0.956 0.070 5.254) 5.340 10.712 ( -2.260 -8.263 -1.987) 8.794 10.955 ( -1.848 0.223 -0.782) 2.019 11.250 ( -7.595 0.268 1.888) 7.831 11.754 ( -11.784 8.465 5.766) 15.612 11.877 ( -1.945 2.753 -0.444) 3.400 12.049 ( -6.684 0.684 4.020) 7.830 12.950 ( 14.047 1.128 0.624) 14.106 13.376 ( -0.504 1.995 -9.081) 9.311 13.700 ( -0.541 5.255 10.298) 11.574 13.936 ( 2.574 -3.144 4.372) 5.969 14.095 ( 1.191 5.057 -4.359) 6.782 14.290 ( 1.986 0.491 -2.331) 3.101 14.377 ( 1.528 10.937 -4.309) 11.854 14.644 ( -0.367 6.222 1.804) 6.489 14.836 ( 0.315 5.701 0.946) 5.787 14.915 ( 1.528 1.211 0.410) 1.992 15.190 ( 4.339 2.598 2.132) 5.488 15.282 ( 5.038 -3.170 -8.453) 10.338 15.505 ( 1.498 4.635 2.262) 5.371 15.534 ( -2.218 -3.782 -1.555) 4.652 15.778 ( -4.447 -3.455 0.982) 5.716 16.144 ( -2.250 0.920 -6.209) 6.668 24.663 ( 0.868 -0.915 0.830) 1.509 24.782 ( 0.944 0.598 -1.894) 2.199 24.825 ( -1.260 -0.334 1.673) 2.120 24.901 ( -0.694 -0.406 0.571) 0.986 25.057 ( -0.983 0.863 6.128) 6.266 25.364 ( -2.503 -0.902 -3.070) 4.062 25.531 ( -0.622 -0.601 3.197) 3.312 25.585 ( 4.889 -1.409 2.308) 5.587 25.895 ( 0.769 5.574 4.087) 6.954 26.079 ( 2.865 -0.030 1.291) 3.142 26.415 ( -4.465 -16.543 -3.073) 17.408 26.716 ( -11.241 -3.210 -2.100) 11.878 27.260 ( -1.567 -5.526 0.121) 5.745 27.493 ( -0.830 -3.865 1.826) 4.354 28.169 ( 6.266 1.702 -8.285) 10.526 29.664 ( 7.000 20.170 -3.174) 21.585 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.011 -5.145 3.397) 6.485 1.600 ( -1.889 -16.032 3.133) 16.444 1.705 ( 11.290 -0.415 2.993) 11.687 2.051 ( 6.249 -12.380 0.901) 13.897 2.188 ( -3.766 -12.302 8.244) 15.280 2.257 ( -4.808 -12.544 0.201) 13.436 2.353 ( 0.933 -9.464 -3.286) 10.061 2.534 ( -5.160 -2.754 -2.750) 6.463 2.583 ( 2.846 -4.971 -2.485) 6.244 2.777 ( -1.247 -3.862 1.719) 4.408 2.952 ( -0.928 0.212 5.418) 5.501 3.041 ( 3.853 -7.938 -1.524) 8.954 3.068 ( -2.946 2.495 0.893) 3.963 3.235 ( -1.777 2.775 -3.245) 4.625 3.367 ( -3.863 -0.034 -2.820) 4.783 3.534 ( -5.043 0.059 -5.392) 7.383 3.808 ( 1.176 -5.228 5.015) 7.339 3.888 ( -1.650 -3.316 5.509) 6.638 4.080 ( 9.309 -7.857 -3.756) 12.747 4.160 ( -2.109 -2.320 1.814) 3.623 4.558 ( 2.801 -1.017 5.949) 6.653 4.630 ( 0.946 4.389 0.228) 4.496 4.687 ( 4.235 -1.085 -1.860) 4.751 4.956 ( -1.134 4.281 1.970) 4.847 5.011 ( 1.417 -3.796 3.222) 5.177 5.168 ( -0.377 -1.039 1.120) 1.574 5.290 ( -0.768 0.418 -0.853) 1.222 5.324 ( -5.526 0.653 -0.984) 5.651 5.384 ( 1.212 1.272 -2.193) 2.810 5.553 ( -2.222 0.363 -1.913) 2.954 5.681 ( 0.971 -1.288 -13.318) 13.416 5.837 ( -1.273 5.112 -1.935) 5.612 5.919 ( 4.682 3.101 -0.075) 5.616 6.022 ( 0.705 -2.412 -1.421) 2.887 6.131 ( -2.054 1.497 -1.726) 3.072 6.158 ( -1.846 1.685 6.186) 6.672 6.250 ( 0.851 4.712 -4.088) 6.296 6.491 ( 1.025 -3.885 1.599) 4.325 6.629 ( 1.574 1.850 0.133) 2.433 6.782 ( -5.193 1.039 2.729) 5.958 7.074 ( 0.380 -3.677 0.459) 3.725 7.193 ( -4.422 -0.618 0.316) 4.476 7.410 ( -2.605 -5.186 -0.770) 5.855 7.477 ( -3.282 -5.502 -1.047) 6.491 7.583 ( -0.062 -7.542 -1.117) 7.624 7.657 ( 3.526 -6.728 0.358) 7.604 7.785 ( -2.070 -5.607 -0.012) 5.977 8.177 ( 6.094 -0.298 0.043) 6.102 8.537 ( -3.428 0.073 3.587) 4.962 8.961 ( -0.155 -1.620 0.975) 1.897 9.340 ( 0.360 -3.316 3.106) 4.558 9.662 ( 0.755 -1.452 0.856) 1.847 9.770 ( -0.583 1.930 -4.553) 4.979 9.983 ( -0.816 -2.827 -8.224) 8.735 10.143 ( 1.158 -1.086 4.249) 4.536 10.464 ( 6.272 -8.167 4.744) 11.338 10.504 ( 1.061 -2.310 -0.469) 2.585 10.684 ( 6.900 -0.016 0.300) 6.906 10.888 ( -4.522 -13.442 -6.222) 15.487 10.952 ( 1.096 -2.759 4.641) 5.509 11.205 ( -5.731 -0.771 1.425) 5.956 11.494 ( -9.778 12.547 5.392) 16.796 11.733 ( -4.072 9.143 -0.297) 10.013 12.029 ( -5.331 -1.003 2.120) 5.824 13.003 ( 11.909 5.057 -3.212) 13.331 13.314 ( -0.098 0.614 -2.796) 2.865 13.573 ( -2.312 9.773 4.149) 10.866 13.896 ( -1.619 6.429 -2.962) 7.261 14.102 ( 0.934 -1.780 4.366) 4.807 14.193 ( -1.197 4.404 -0.619) 4.605 14.319 ( 7.809 4.946 -1.032) 9.301 14.556 ( -1.040 3.033 2.428) 4.022 14.701 ( 0.178 7.933 1.613) 8.097 14.850 ( -2.958 3.142 -0.316) 4.327 15.170 ( 5.099 5.018 0.924) 7.214 15.346 ( 5.255 -2.068 -4.201) 7.038 15.510 ( 1.756 -1.568 2.253) 3.259 15.568 ( -3.173 -1.956 -4.410) 5.775 15.821 ( -2.252 -4.769 2.730) 5.938 16.048 ( -3.624 3.272 -5.239) 7.161 24.695 ( 0.633 -1.548 0.596) 1.775 24.761 ( 0.055 1.138 -1.072) 1.565 24.845 ( -0.017 -1.414 1.091) 1.786 24.898 ( -0.682 0.414 0.220) 0.828 25.062 ( 0.145 1.321 3.883) 4.104 25.343 ( -2.009 -0.981 -3.159) 3.870 25.546 ( -1.853 -1.991 0.312) 2.737 25.633 ( 3.866 2.314 1.050) 4.626 25.897 ( 2.538 -1.679 5.383) 6.184 26.090 ( 1.279 3.250 2.286) 4.174 26.601 ( -2.580 -10.477 -2.560) 11.089 26.723 ( -7.675 -8.147 -5.019) 12.267 27.390 ( -3.015 -10.648 -0.379) 11.073 27.571 ( -2.799 -5.308 0.883) 6.066 28.156 ( 5.193 1.570 -3.448) 6.428 29.296 ( 6.847 25.836 0.182) 26.728 ======================= Grid point 22 (16/93) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.428 2.926 2.647) 3.969 1.710 ( -5.421 -6.681 0.729) 8.635 1.818 ( 3.655 0.640 -4.591) 5.903 2.247 ( 5.360 -4.811 4.095) 8.285 2.353 ( -2.769 -7.372 1.397) 7.998 2.456 ( 0.040 -7.443 2.242) 7.774 2.506 ( -1.737 -6.333 -1.023) 6.646 2.549 ( 1.130 -4.328 3.615) 5.751 2.686 ( 3.314 -2.219 -3.176) 5.098 2.801 ( -7.431 -1.030 -1.480) 7.647 3.005 ( -2.062 -4.292 0.044) 4.761 3.028 ( 0.760 -0.230 -3.383) 3.475 3.101 ( 2.731 -3.521 1.028) 4.573 3.249 ( -2.145 2.074 -1.573) 3.373 3.331 ( 4.705 -5.299 3.897) 8.088 3.503 ( -8.268 -2.285 -5.065) 9.962 3.877 ( -0.575 1.931 4.552) 4.978 3.938 ( 5.390 -0.304 -3.218) 6.285 4.081 ( -4.970 -3.800 0.990) 6.335 4.369 ( 5.168 -6.551 -0.427) 8.355 4.523 ( -1.641 6.765 -1.442) 7.109 4.607 ( 1.856 3.120 6.792) 7.701 4.708 ( 3.835 7.172 0.643) 8.158 4.935 ( 2.773 -3.115 3.367) 5.360 5.097 ( 3.967 0.593 1.548) 4.299 5.208 ( 0.719 -1.326 -2.309) 2.758 5.250 ( -1.489 -0.299 -3.353) 3.681 5.287 ( -5.996 -4.913 -0.692) 7.782 5.382 ( -2.530 -3.176 -1.647) 4.382 5.539 ( -1.049 1.611 1.389) 2.372 5.625 ( -0.054 -2.345 -3.038) 3.838 5.749 ( -1.507 2.961 0.127) 3.325 5.883 ( 0.820 4.261 -3.494) 5.571 6.045 ( 0.915 -2.072 -3.113) 3.849 6.118 ( -0.708 -2.872 1.462) 3.300 6.162 ( -2.221 -1.092 3.308) 4.131 6.249 ( 3.910 -2.091 -1.608) 4.716 6.568 ( 2.132 -1.322 1.618) 2.985 6.646 ( 2.481 0.338 1.716) 3.036 6.720 ( -4.325 0.814 0.341) 4.414 7.152 ( -0.020 -4.543 0.177) 4.547 7.184 ( -2.849 -2.073 -0.542) 3.565 7.456 ( -0.242 -0.633 -1.004) 1.212 7.527 ( -1.895 -2.756 -1.456) 3.647 7.672 ( 1.491 -3.792 -0.635) 4.123 7.802 ( 0.350 -4.146 -0.542) 4.196 7.891 ( -0.913 -8.730 0.458) 8.790 8.208 ( 2.275 1.351 0.523) 2.697 8.559 ( 0.064 -2.528 1.865) 3.142 8.985 ( -0.156 -0.389 0.242) 0.484 9.414 ( 0.378 -2.463 3.041) 3.932 9.650 ( -2.061 3.115 1.380) 3.982 9.710 ( -0.726 0.109 -5.401) 5.451 10.004 ( 1.083 -3.508 -4.685) 5.952 10.196 ( 0.464 -2.394 2.804) 3.716 10.518 ( 4.203 1.698 -0.052) 4.533 10.618 ( 0.808 -3.348 2.984) 4.557 10.717 ( -0.231 0.737 0.324) 0.838 10.938 ( 11.003 4.538 -5.633) 13.168 11.057 ( -8.917 4.226 4.506) 10.848 11.230 ( -2.962 -5.815 1.707) 6.745 11.362 ( 0.656 -5.797 0.929) 5.908 11.525 ( -5.556 5.781 2.908) 8.529 12.005 ( -3.857 -1.585 -3.241) 5.281 12.948 ( 5.730 6.756 -2.442) 9.189 13.318 ( 0.781 -0.703 0.615) 1.218 13.400 ( -1.066 9.230 1.234) 9.373 13.755 ( -1.544 6.015 -1.191) 6.323 14.131 ( 0.046 0.164 0.804) 0.822 14.172 ( -1.819 -1.174 0.183) 2.173 14.224 ( 0.686 5.759 1.409) 5.969 14.524 ( 2.314 3.314 0.228) 4.049 14.666 ( 3.247 -1.030 1.240) 3.625 14.781 ( -3.342 0.940 -0.026) 3.472 15.098 ( 2.168 6.783 0.037) 7.121 15.388 ( 3.590 1.980 2.107) 4.610 15.522 ( -2.114 -0.671 -3.723) 4.334 15.587 ( -0.154 -4.647 -0.006) 4.650 15.922 ( 0.871 -2.852 -1.702) 3.433 15.933 ( -3.740 0.913 0.037) 3.850 24.733 ( 0.313 -1.688 0.450) 1.774 24.737 ( -0.053 0.861 -0.419) 0.959 24.869 ( 0.139 0.986 0.563) 1.144 24.886 ( -0.321 -1.165 -0.185) 1.222 25.045 ( 0.074 2.197 1.256) 2.532 25.351 ( -0.659 -2.819 -1.266) 3.160 25.569 ( -0.251 0.350 2.232) 2.273 25.599 ( 0.200 1.104 -2.757) 2.977 26.007 ( 0.106 0.584 6.978) 7.003 26.023 ( 2.922 0.421 -1.886) 3.503 26.756 ( -0.078 -8.436 0.904) 8.485 26.786 ( -2.700 -6.572 -5.494) 8.982 27.542 ( -3.775 -8.461 -1.733) 9.426 27.655 ( -2.366 -7.557 0.369) 7.927 28.161 ( 2.490 1.110 0.280) 2.741 28.880 ( 3.907 25.540 0.745) 25.847 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 8.808 -0.000) 8.808 1.692 ( 0.000 10.633 -0.000) 10.633 1.827 ( -0.000 -6.384 0.000) 6.384 2.321 ( 0.000 5.815 -0.000) 5.815 2.377 ( 0.000 8.470 -0.000) 8.470 2.483 ( 0.000 3.141 -0.000) 3.141 2.496 ( -0.000 -2.575 0.000) 2.575 2.593 ( 0.000 3.054 -0.000) 3.054 2.737 ( -0.000 -2.257 0.000) 2.257 2.878 ( -0.000 -12.912 0.000) 12.912 2.985 ( 0.000 0.808 -0.000) 0.808 3.092 ( -0.000 -0.032 0.000) 0.032 3.188 ( -0.000 -3.058 0.000) 3.058 3.361 ( -0.000 -4.491 0.000) 4.491 3.373 ( -0.000 -8.359 0.000) 8.359 3.528 ( -0.000 -6.219 0.000) 6.219 3.774 ( 0.000 7.738 -0.000) 7.738 3.953 ( 0.000 0.510 -0.000) 0.510 4.171 ( -0.000 -5.388 0.000) 5.388 4.316 ( 0.000 12.899 -0.000) 12.899 4.473 ( 0.000 0.203 -0.000) 0.203 4.532 ( 0.000 10.271 -0.000) 10.271 4.558 ( 0.000 5.227 -0.000) 5.227 5.004 ( -0.000 -1.424 0.000) 1.424 5.085 ( 0.000 2.102 -0.000) 2.102 5.160 ( 0.000 2.000 -0.000) 2.000 5.289 ( -0.000 -3.856 0.000) 3.856 5.388 ( -0.000 -4.551 0.000) 4.551 5.440 ( -0.000 -3.659 0.000) 3.659 5.543 ( -0.000 -3.528 0.000) 3.528 5.700 ( -0.000 -3.282 0.000) 3.282 5.706 ( 0.000 0.457 -0.000) 0.457 5.795 ( 0.000 3.249 -0.000) 3.249 6.082 ( -0.000 -2.826 0.000) 2.826 6.184 ( -0.000 -2.994 0.000) 2.994 6.227 ( -0.000 -6.361 0.000) 6.361 6.325 ( -0.000 -4.570 0.000) 4.570 6.575 ( 0.000 1.759 -0.000) 1.759 6.602 ( 0.000 4.286 -0.000) 4.286 6.742 ( -0.000 -2.878 0.000) 2.878 7.178 ( 0.000 0.187 -0.000) 0.187 7.267 ( -0.000 -6.486 0.000) 6.486 7.400 ( 0.000 5.764 -0.000) 5.764 7.527 ( 0.000 1.269 -0.000) 1.269 7.724 ( -0.000 -0.681 0.000) 0.681 7.842 ( -0.000 -0.602 0.000) 0.602 8.018 ( -0.000 -4.388 0.000) 4.388 8.181 ( 0.000 2.286 -0.000) 2.286 8.622 ( -0.000 -2.926 0.000) 2.926 8.968 ( 0.000 2.020 -0.000) 2.020 9.447 ( 0.000 0.808 -0.000) 0.808 9.566 ( 0.000 3.576 -0.000) 3.576 9.717 ( -0.000 -2.435 0.000) 2.435 10.055 ( -0.000 -2.306 0.000) 2.306 10.248 ( -0.000 -1.222 0.000) 1.222 10.530 ( -0.000 -1.224 0.000) 1.224 10.633 ( 0.000 2.229 -0.000) 2.229 10.649 ( 0.000 7.497 -0.000) 7.497 10.883 ( 0.000 0.359 -0.000) 0.359 10.918 ( 0.000 7.080 -0.000) 7.080 11.227 ( 0.000 9.127 -0.000) 9.127 11.347 ( -0.000 -5.537 0.000) 5.537 11.768 ( -0.000 -20.233 0.000) 20.233 12.031 ( -0.000 -5.867 0.000) 5.867 12.865 ( 0.000 4.091 -0.000) 4.091 13.239 ( 0.000 8.525 -0.000) 8.525 13.345 ( -0.000 -1.736 0.000) 1.736 13.649 ( 0.000 4.745 -0.000) 4.745 14.073 ( 0.000 5.541 -0.000) 5.541 14.123 ( 0.000 0.955 -0.000) 0.955 14.313 ( -0.000 -9.206 0.000) 9.206 14.491 ( 0.000 1.375 -0.000) 1.375 14.732 ( -0.000 -3.995 0.000) 3.995 14.757 ( 0.000 1.431 -0.000) 1.431 14.988 ( 0.000 5.331 -0.000) 5.331 15.345 ( 0.000 3.581 -0.000) 3.581 15.537 ( -0.000 -1.635 0.000) 1.635 15.673 ( -0.000 -4.426 0.000) 4.426 15.836 ( 0.000 4.310 -0.000) 4.310 16.030 ( -0.000 -5.467 0.000) 5.467 24.715 ( 0.000 1.340 -0.000) 1.340 24.771 ( -0.000 -1.989 0.000) 1.989 24.838 ( 0.000 1.910 -0.000) 1.910 24.913 ( -0.000 -1.271 0.000) 1.271 25.006 ( 0.000 2.217 -0.000) 2.217 25.412 ( -0.000 -4.114 0.000) 4.114 25.529 ( 0.000 2.590 -0.000) 2.590 25.606 ( -0.000 -0.786 0.000) 0.786 25.934 ( 0.000 3.587 -0.000) 3.587 26.110 ( -0.000 -2.758 0.000) 2.758 26.842 ( -0.000 -3.262 0.000) 3.262 26.903 ( -0.000 -6.597 0.000) 6.597 27.614 ( -0.000 -3.839 0.000) 3.839 27.810 ( -0.000 -9.555 0.000) 9.555 28.127 ( 0.000 5.248 -0.000) 5.248 28.490 ( 0.000 18.844 -0.000) 18.844 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.343 -0.000 4.130) 4.144 1.181 ( 7.659 -0.000 12.044) 14.273 1.677 ( 13.663 -0.000 5.794) 14.841 1.689 ( 10.191 -0.000 0.055) 10.191 1.781 ( -0.863 0.000 0.877) 1.230 1.882 ( -11.809 0.000 9.053) 14.879 2.094 ( 1.583 -0.000 -10.861) 10.976 2.375 ( -3.484 0.000 -4.176) 5.438 2.642 ( -4.392 0.000 6.498) 7.843 2.752 ( 11.075 -0.000 -0.956) 11.116 2.832 ( 0.201 -0.000 -6.662) 6.665 3.095 ( -3.448 0.000 -4.363) 5.561 3.105 ( 3.633 -0.000 0.596) 3.682 3.158 ( 0.552 -0.000 13.447) 13.459 3.439 ( -11.597 0.000 -2.838) 11.939 3.444 ( -1.398 0.000 6.749) 6.892 3.629 ( 1.299 -0.000 -11.605) 11.678 3.844 ( -5.269 0.000 7.682) 9.315 3.923 ( 10.588 -0.000 1.804) 10.740 4.193 ( -2.822 0.000 -2.114) 3.526 4.462 ( -2.604 0.000 -3.080) 4.033 4.670 ( -3.460 0.000 -1.181) 3.656 4.765 ( 0.595 -0.000 6.605) 6.632 4.798 ( 1.116 -0.000 2.167) 2.437 5.129 ( 2.979 -0.000 3.358) 4.489 5.160 ( -1.518 0.000 -0.743) 1.690 5.294 ( 2.461 -0.000 1.726) 3.006 5.371 ( -1.661 0.000 -7.553) 7.733 5.480 ( -0.673 0.000 0.243) 0.715 5.527 ( -2.252 0.000 -11.468) 11.687 5.673 ( 1.654 -0.000 -0.485) 1.723 5.839 ( 3.767 -0.000 0.436) 3.792 6.014 ( 0.426 -0.000 1.088) 1.168 6.081 ( 12.049 -0.000 0.258) 12.051 6.191 ( -1.090 0.000 -1.294) 1.692 6.221 ( -0.815 0.000 6.250) 6.303 6.290 ( -0.993 0.000 -6.735) 6.808 6.524 ( -1.438 0.000 -4.879) 5.087 6.626 ( -12.603 0.000 -0.852) 12.632 6.821 ( 0.721 -0.000 2.651) 2.747 7.022 ( 0.514 -0.000 1.232) 1.335 7.220 ( 1.393 -0.000 -3.093) 3.392 7.252 ( -2.922 0.000 6.671) 7.283 7.282 ( -8.026 0.000 -2.975) 8.560 7.344 ( -5.372 0.000 1.527) 5.584 7.602 ( 2.991 -0.000 0.009) 2.991 7.674 ( -0.930 0.000 -0.712) 1.172 8.177 ( 7.569 -0.000 -0.804) 7.611 8.613 ( -7.003 0.000 4.020) 8.075 8.927 ( -1.074 0.000 1.373) 1.743 9.294 ( -0.591 0.000 2.964) 3.022 9.428 ( 2.910 -0.000 11.097) 11.472 9.868 ( 0.489 -0.000 -2.978) 3.018 9.888 ( 0.630 -0.000 -7.150) 7.178 10.091 ( 5.242 -0.000 1.234) 5.385 10.106 ( 2.767 -0.000 -3.899) 4.781 10.513 ( 1.825 -0.000 -3.494) 3.942 10.619 ( -1.408 0.000 1.310) 1.923 10.687 ( 3.093 -0.000 4.611) 5.552 10.908 ( -8.140 0.000 -0.304) 8.146 11.184 ( -6.380 0.000 0.723) 6.421 11.845 ( -2.254 0.000 5.891) 6.307 11.852 ( -4.022 0.000 0.807) 4.102 12.025 ( -4.469 0.000 1.474) 4.706 13.082 ( 12.167 -0.000 1.351) 12.242 13.320 ( -2.638 0.000 -8.710) 9.100 13.837 ( -2.326 0.000 12.421) 12.637 13.902 ( 0.783 -0.000 0.589) 0.980 14.140 ( 0.646 -0.000 -3.482) 3.541 14.308 ( 7.440 -0.000 1.433) 7.577 14.481 ( -0.595 0.000 -4.724) 4.761 14.681 ( -5.420 0.000 0.200) 5.424 14.908 ( 0.847 -0.000 1.010) 1.319 14.970 ( 5.825 -0.000 0.195) 5.829 15.213 ( 1.472 -0.000 -9.225) 9.342 15.267 ( 6.178 -0.000 1.656) 6.396 15.461 ( -0.599 0.000 -1.357) 1.484 15.639 ( -4.674 0.000 -0.562) 4.708 15.646 ( -1.997 0.000 2.894) 3.516 16.109 ( -1.990 0.000 -4.091) 4.549 24.665 ( 0.756 -0.000 0.607) 0.969 24.788 ( 1.152 -0.000 -1.778) 2.119 24.819 ( -1.475 0.000 1.601) 2.177 24.894 ( -0.451 0.000 0.467) 0.649 25.084 ( -0.948 0.000 4.953) 5.043 25.324 ( -1.871 0.000 -2.388) 3.034 25.544 ( -0.236 0.000 2.496) 2.507 25.644 ( 5.842 -0.000 4.492) 7.369 25.998 ( -0.138 0.000 2.600) 2.604 26.120 ( 0.034 -0.000 -2.453) 2.453 26.166 ( 1.988 -0.000 1.642) 2.579 26.571 ( -11.991 0.000 -4.351) 12.756 27.208 ( -0.736 0.000 0.216) 0.767 27.469 ( 0.096 -0.000 1.823) 1.825 28.192 ( 5.227 -0.000 -6.721) 8.514 29.859 ( 2.121 -0.000 -3.268) 3.896 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 5.376 -6.035 -1.588) 8.236 1.358 ( -2.927 -8.634 8.521) 12.479 1.790 ( 1.618 -9.472 -1.978) 9.811 1.889 ( 8.497 -5.649 4.489) 11.147 1.967 ( -0.864 -10.827 5.943) 12.381 1.991 ( 0.167 -14.841 5.759) 15.920 2.128 ( 0.781 -8.636 -7.872) 11.711 2.350 ( -2.780 -3.760 -7.824) 9.115 2.565 ( -7.929 1.221 0.248) 8.027 2.820 ( 4.078 2.795 1.406) 5.140 2.882 ( 3.316 -9.388 -1.431) 10.059 3.029 ( 2.393 3.378 4.794) 6.335 3.115 ( -0.588 2.488 1.609) 3.020 3.234 ( -7.741 3.723 -4.722) 9.802 3.280 ( 0.650 -3.276 1.567) 3.689 3.549 ( -2.408 1.515 -1.978) 3.465 3.667 ( -0.156 -12.045 0.232) 12.048 3.859 ( -1.344 -1.699 5.878) 6.265 4.036 ( 9.381 -2.122 0.869) 9.657 4.124 ( -4.620 2.771 -2.243) 5.836 4.503 ( 4.057 -6.743 -0.793) 7.910 4.648 ( -3.253 -2.625 -3.926) 5.735 4.747 ( 0.464 3.415 5.103) 6.158 4.894 ( -0.394 -5.278 3.910) 6.581 5.066 ( -1.417 5.148 -2.727) 5.996 5.189 ( 1.496 0.025 2.889) 3.254 5.317 ( 1.538 0.753 0.875) 1.923 5.334 ( 0.772 1.195 1.592) 2.135 5.417 ( -2.548 3.972 -0.740) 4.777 5.470 ( -3.388 -2.091 -10.349) 11.088 5.656 ( 2.033 2.869 -2.780) 4.482 5.906 ( 3.031 -0.943 1.297) 3.429 5.977 ( -2.173 2.332 -0.754) 3.276 6.073 ( 6.032 6.491 -0.933) 8.911 6.168 ( -3.547 3.730 2.924) 5.919 6.206 ( 3.208 1.242 0.488) 3.475 6.292 ( -1.858 3.121 -2.747) 4.554 6.411 ( -2.091 -3.361 -1.204) 4.138 6.679 ( -1.122 -5.151 -0.407) 5.287 6.759 ( -1.652 5.256 1.324) 5.666 7.041 ( 0.815 -1.491 0.505) 1.773 7.168 ( -2.069 0.980 -0.654) 2.381 7.293 ( -3.241 -3.494 0.762) 4.827 7.326 ( -2.276 -6.880 -0.589) 7.270 7.411 ( -0.553 -9.739 0.797) 9.787 7.624 ( 2.533 -0.813 -0.210) 2.669 7.696 ( -0.936 -3.239 -0.121) 3.374 8.229 ( 5.285 0.277 0.032) 5.292 8.535 ( -4.424 2.439 1.963) 5.420 8.936 ( -0.424 -1.158 0.718) 1.427 9.307 ( 0.062 -1.642 1.821) 2.452 9.614 ( 1.146 -6.861 5.204) 8.687 9.803 ( 0.019 3.401 -2.675) 4.326 9.894 ( -0.533 -2.307 -5.713) 6.184 10.151 ( 2.457 -2.238 3.411) 4.762 10.250 ( 1.991 -15.064 -2.682) 15.430 10.519 ( 3.013 -0.168 -0.892) 3.147 10.655 ( -1.451 -4.395 -0.651) 4.674 10.741 ( 4.996 -0.376 0.696) 5.058 10.862 ( -9.483 -4.334 2.361) 10.690 11.152 ( -2.266 0.194 0.103) 2.276 11.694 ( -2.601 11.221 1.862) 11.668 11.853 ( -0.325 4.062 0.976) 4.190 11.998 ( -3.027 0.323 1.633) 3.455 13.151 ( 7.569 2.498 -0.580) 7.992 13.277 ( -1.396 -1.261 -3.775) 4.217 13.736 ( -2.797 8.867 4.123) 10.171 13.949 ( -1.122 0.783 -0.162) 1.377 14.109 ( 0.667 0.770 0.328) 1.070 14.336 ( -0.193 10.115 -0.865) 10.153 14.429 ( 10.181 -0.988 2.044) 10.431 14.604 ( -6.185 2.868 -0.182) 6.820 14.852 ( 0.373 6.721 0.999) 6.805 14.913 ( -0.469 7.126 -1.284) 7.256 15.260 ( 0.939 -5.574 -1.698) 5.903 15.294 ( 4.845 2.061 -2.704) 5.919 15.487 ( -1.106 -2.375 -1.214) 2.888 15.556 ( 1.221 2.146 1.744) 3.023 15.717 ( -3.025 -5.200 1.107) 6.116 16.052 ( -1.977 2.478 -2.739) 4.189 24.680 ( 0.406 -0.840 0.318) 0.986 24.777 ( 0.255 1.051 -0.777) 1.331 24.825 ( -0.373 -0.993 0.707) 1.275 24.897 ( -0.278 -0.245 0.231) 0.436 25.098 ( -0.173 0.376 2.931) 2.961 25.303 ( -1.094 -0.305 -2.007) 2.306 25.530 ( -0.445 1.334 0.406) 1.464 25.710 ( 3.753 0.258 2.664) 4.609 25.939 ( 0.310 3.613 2.046) 4.164 26.139 ( 1.762 -1.283 1.239) 2.507 26.353 ( -0.346 -12.645 0.741) 12.672 26.496 ( -7.731 -5.461 -5.662) 11.030 27.243 ( -0.586 -4.503 0.102) 4.542 27.498 ( -0.457 -2.263 0.931) 2.489 28.194 ( 2.966 0.767 -2.990) 4.281 29.713 ( 1.807 15.805 -0.914) 15.934 ======================= Grid point 30 (20/93) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 -3.886 0.000) 3.886 1.511 ( -0.000 -9.939 0.000) 9.939 1.871 ( 0.000 1.615 -0.000) 1.615 2.118 ( -0.000 -11.906 0.000) 11.906 2.128 ( -0.000 -11.789 0.000) 11.789 2.290 ( -0.000 -11.576 0.000) 11.576 2.353 ( -0.000 -14.611 0.000) 14.611 2.404 ( -0.000 -6.424 0.000) 6.424 2.583 ( -0.000 -7.797 0.000) 7.797 2.802 ( 0.000 1.330 -0.000) 1.330 3.010 ( 0.000 5.112 -0.000) 5.112 3.024 ( 0.000 0.379 -0.000) 0.379 3.086 ( -0.000 -3.089 0.000) 3.089 3.196 ( -0.000 -8.534 0.000) 8.534 3.304 ( 0.000 2.867 -0.000) 2.867 3.456 ( 0.000 2.794 -0.000) 2.794 3.871 ( -0.000 -6.915 0.000) 6.915 3.924 ( -0.000 -4.950 0.000) 4.950 4.014 ( 0.000 4.462 -0.000) 4.462 4.196 ( -0.000 -10.749 0.000) 10.749 4.628 ( -0.000 -1.393 0.000) 1.393 4.675 ( 0.000 6.969 -0.000) 6.969 4.747 ( -0.000 -8.760 0.000) 8.760 4.958 ( 0.000 4.562 -0.000) 4.562 5.026 ( -0.000 -9.661 0.000) 9.661 5.170 ( 0.000 2.734 -0.000) 2.734 5.269 ( 0.000 4.467 -0.000) 4.467 5.324 ( 0.000 5.810 -0.000) 5.810 5.325 ( -0.000 -0.281 0.000) 0.281 5.505 ( -0.000 -6.691 0.000) 6.691 5.593 ( 0.000 3.272 -0.000) 3.272 5.827 ( 0.000 6.281 -0.000) 6.281 5.986 ( 0.000 5.159 -0.000) 5.159 6.006 ( -0.000 -1.553 0.000) 1.553 6.104 ( 0.000 1.604 -0.000) 1.604 6.168 ( 0.000 1.766 -0.000) 1.766 6.248 ( 0.000 0.620 -0.000) 0.620 6.508 ( -0.000 -5.717 0.000) 5.717 6.666 ( 0.000 1.911 -0.000) 1.911 6.729 ( 0.000 0.653 -0.000) 0.653 7.088 ( -0.000 -3.133 0.000) 3.133 7.149 ( -0.000 -0.042 0.000) 0.042 7.378 ( -0.000 -6.505 0.000) 6.505 7.436 ( -0.000 -6.041 0.000) 6.041 7.582 ( -0.000 -7.274 0.000) 7.274 7.712 ( -0.000 -8.444 0.000) 8.444 7.749 ( -0.000 -3.041 0.000) 3.041 8.242 ( 0.000 0.873 -0.000) 0.873 8.516 ( -0.000 -1.673 0.000) 1.673 8.965 ( -0.000 -1.692 0.000) 1.692 9.363 ( -0.000 -3.611 0.000) 3.611 9.687 ( -0.000 -0.785 0.000) 0.785 9.724 ( 0.000 4.296 -0.000) 4.296 9.929 ( -0.000 -3.598 0.000) 3.598 10.190 ( -0.000 -0.296 0.000) 0.296 10.532 ( -0.000 -9.614 0.000) 9.614 10.544 ( -0.000 -0.652 0.000) 0.652 10.729 ( -0.000 -0.770 0.000) 0.770 10.838 ( -0.000 -14.517 0.000) 14.517 10.961 ( -0.000 -8.216 0.000) 8.216 11.136 ( -0.000 -0.301 0.000) 0.301 11.454 ( 0.000 13.375 -0.000) 13.375 11.714 ( 0.000 11.252 -0.000) 11.252 11.976 ( 0.000 0.561 -0.000) 0.561 13.099 ( 0.000 6.617 -0.000) 6.617 13.298 ( -0.000 -1.938 0.000) 1.938 13.565 ( 0.000 9.549 -0.000) 9.549 13.860 ( 0.000 6.539 -0.000) 6.539 14.126 ( -0.000 -1.065 0.000) 1.065 14.176 ( 0.000 5.252 -0.000) 5.252 14.421 ( 0.000 10.818 -0.000) 10.818 14.542 ( -0.000 -1.319 0.000) 1.319 14.762 ( 0.000 7.013 -0.000) 7.013 14.770 ( 0.000 2.212 -0.000) 2.212 15.226 ( 0.000 5.818 -0.000) 5.818 15.392 ( -0.000 -7.002 0.000) 7.002 15.478 ( 0.000 1.938 -0.000) 1.938 15.554 ( -0.000 -0.283 0.000) 0.283 15.816 ( -0.000 -6.436 0.000) 6.436 15.977 ( 0.000 3.627 -0.000) 3.627 24.704 ( -0.000 -1.520 0.000) 1.520 24.755 ( 0.000 1.174 -0.000) 1.174 24.851 ( -0.000 -1.763 0.000) 1.763 24.893 ( 0.000 0.692 -0.000) 0.692 25.087 ( 0.000 1.714 -0.000) 1.714 25.305 ( -0.000 -1.383 0.000) 1.383 25.530 ( -0.000 -1.713 0.000) 1.713 25.680 ( 0.000 4.831 -0.000) 4.831 25.959 ( -0.000 -3.893 0.000) 3.893 26.112 ( 0.000 4.805 -0.000) 4.805 26.574 ( -0.000 -11.667 0.000) 11.667 26.603 ( -0.000 -10.051 0.000) 10.051 27.363 ( -0.000 -8.937 0.000) 8.937 27.549 ( -0.000 -3.754 0.000) 3.754 28.186 ( 0.000 0.700 -0.000) 0.700 29.353 ( 0.000 24.261 -0.000) 24.261 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.000 -0.000 0.000) 0.000 1.334 ( 0.000 -0.000 0.000) 0.000 1.639 ( 0.000 -0.000 0.000) 0.000 1.781 ( 0.000 -0.000 0.000) 0.000 1.845 ( 0.000 -0.000 0.000) 0.000 1.963 ( 0.000 -0.000 0.000) 0.000 2.085 ( 0.000 -0.000 0.000) 0.000 2.289 ( 0.000 -0.000 0.000) 0.000 2.535 ( 0.000 0.000 -0.000) 0.000 2.791 ( 0.000 -0.000 -0.000) 0.000 2.868 ( -0.000 0.000 0.000) 0.000 3.117 ( 0.000 -0.000 0.000) 0.000 3.143 ( 0.000 -0.000 0.000) 0.000 3.245 ( 0.000 -0.000 0.000) 0.000 3.256 ( 0.000 -0.000 0.000) 0.000 3.489 ( 0.000 -0.000 -0.000) 0.000 3.539 ( 0.000 -0.000 0.000) 0.000 3.849 ( 0.000 -0.000 0.000) 0.000 4.127 ( 0.000 -0.000 0.000) 0.000 4.130 ( 0.000 -0.000 0.000) 0.000 4.405 ( 0.000 -0.000 0.000) 0.000 4.589 ( 0.000 -0.000 0.000) 0.000 4.797 ( 0.000 -0.000 -0.000) 0.000 4.861 ( 0.000 -0.000 0.000) 0.000 5.115 ( 0.000 -0.000 0.000) 0.000 5.194 ( 0.000 -0.000 0.000) 0.000 5.326 ( 0.000 -0.000 0.000) 0.000 5.330 ( 0.000 -0.000 0.000) 0.000 5.407 ( 0.000 -0.000 -0.000) 0.000 5.465 ( 0.000 -0.000 0.000) 0.000 5.702 ( 0.000 -0.000 0.000) 0.000 5.883 ( 0.000 -0.000 0.000) 0.000 6.023 ( -0.000 0.000 0.000) 0.000 6.162 ( 0.000 -0.000 0.000) 0.000 6.187 ( 0.000 -0.000 -0.000) 0.000 6.246 ( 0.000 -0.000 0.000) 0.000 6.318 ( 0.000 -0.000 0.000) 0.000 6.440 ( -0.000 0.000 0.000) 0.000 6.497 ( 0.000 -0.000 0.000) 0.000 6.840 ( 0.000 -0.000 0.000) 0.000 7.032 ( 0.000 -0.000 0.000) 0.000 7.188 ( 0.000 -0.000 -0.000) 0.000 7.206 ( 0.000 -0.000 0.000) 0.000 7.278 ( 0.000 -0.000 0.000) 0.000 7.303 ( 0.000 -0.000 -0.000) 0.000 7.634 ( 0.000 -0.000 0.000) 0.000 7.658 ( 0.000 -0.000 0.000) 0.000 8.257 ( 0.000 -0.000 0.000) 0.000 8.555 ( 0.000 -0.000 0.000) 0.000 8.925 ( 0.000 -0.000 0.000) 0.000 9.304 ( 0.000 -0.000 0.000) 0.000 9.539 ( 0.000 -0.000 -0.000) 0.000 9.828 ( 0.000 -0.000 0.000) 0.000 9.855 ( 0.000 -0.000 0.000) 0.000 10.099 ( 0.000 -0.000 -0.000) 0.000 10.152 ( 0.000 -0.000 -0.000) 0.000 10.529 ( 0.000 -0.000 0.000) 0.000 10.624 ( 0.000 -0.000 0.000) 0.000 10.748 ( 0.000 -0.000 0.000) 0.000 10.784 ( -0.000 0.000 0.000) 0.000 11.148 ( 0.000 -0.000 0.000) 0.000 11.814 ( 0.000 -0.000 0.000) 0.000 11.870 ( 0.000 -0.000 0.000) 0.000 11.995 ( 0.000 -0.000 0.000) 0.000 13.204 ( 0.000 -0.000 0.000) 0.000 13.244 ( 0.000 -0.000 0.000) 0.000 13.853 ( 0.000 -0.000 0.000) 0.000 13.913 ( 0.000 -0.000 0.000) 0.000 14.127 ( 0.000 -0.000 0.000) 0.000 14.449 ( 0.000 -0.000 0.000) 0.000 14.491 ( 0.000 -0.000 0.000) 0.000 14.557 ( -0.000 0.000 -0.000) 0.000 14.928 ( 0.000 -0.000 0.000) 0.000 15.015 ( 0.000 -0.000 0.000) 0.000 15.158 ( -0.000 0.000 -0.000) 0.000 15.346 ( 0.000 -0.000 0.000) 0.000 15.451 ( 0.000 -0.000 0.000) 0.000 15.593 ( 0.000 -0.000 0.000) 0.000 15.641 ( 0.000 -0.000 0.000) 0.000 16.064 ( 0.000 -0.000 0.000) 0.000 24.676 ( 0.000 -0.000 0.000) 0.000 24.788 ( 0.000 -0.000 0.000) 0.000 24.815 ( 0.000 -0.000 0.000) 0.000 24.892 ( 0.000 -0.000 0.000) 0.000 25.105 ( 0.000 -0.000 0.000) 0.000 25.292 ( 0.000 -0.000 0.000) 0.000 25.555 ( 0.000 -0.000 0.000) 0.000 25.729 ( 0.000 -0.000 0.000) 0.000 26.011 ( 0.000 -0.000 0.000) 0.000 26.106 ( 0.000 -0.000 0.000) 0.000 26.231 ( 0.000 -0.000 0.000) 0.000 26.392 ( 0.000 -0.000 0.000) 0.000 27.203 ( 0.000 -0.000 0.000) 0.000 27.480 ( 0.000 -0.000 0.000) 0.000 28.205 ( 0.000 -0.000 0.000) 0.000 29.860 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 4.109 -0.000 26.857) 27.169 0.660 ( -7.715 0.000 28.716) 29.734 0.811 ( 0.313 -0.000 9.483) 9.489 1.245 ( 14.645 -0.000 53.917) 55.871 1.717 ( -6.191 0.000 -12.141) 13.628 2.030 ( 12.430 -0.000 -8.982) 15.336 2.150 ( -0.011 0.000 -5.072) 5.072 2.343 ( -3.253 0.000 8.661) 9.252 2.424 ( -6.701 0.000 -6.213) 9.138 2.551 ( -3.056 0.000 5.553) 6.338 2.835 ( 0.209 -0.000 3.685) 3.691 3.037 ( -1.816 0.000 -8.919) 9.102 3.370 ( -4.351 0.000 -6.125) 7.513 3.383 ( -2.874 0.000 -10.328) 10.721 3.464 ( -1.937 0.000 11.626) 11.786 3.826 ( -8.386 0.000 -6.277) 10.475 3.849 ( -2.556 0.000 7.999) 8.398 3.934 ( 9.372 -0.000 -6.586) 11.455 4.099 ( -4.015 0.000 0.935) 4.123 4.268 ( 4.446 -0.000 -0.900) 4.536 4.271 ( 12.284 -0.000 7.390) 14.336 4.451 ( -5.391 0.000 2.728) 6.042 4.484 ( 6.110 -0.000 4.870) 7.813 4.999 ( 0.438 -0.000 -2.562) 2.599 5.091 ( 1.278 -0.000 -1.370) 1.874 5.136 ( 2.305 -0.000 -6.085) 6.507 5.217 ( -2.366 0.000 4.574) 5.150 5.342 ( 1.259 -0.000 1.682) 2.101 5.354 ( 1.907 -0.000 -15.254) 15.372 5.436 ( 1.488 -0.000 3.032) 3.378 5.548 ( -2.578 0.000 2.656) 3.701 5.602 ( -2.700 0.000 -7.811) 8.264 6.074 ( 0.891 -0.000 2.419) 2.577 6.181 ( -3.386 0.000 -0.869) 3.495 6.219 ( 0.503 -0.000 -2.343) 2.397 6.364 ( -0.750 0.000 -0.506) 0.905 6.449 ( -7.638 0.000 -4.370) 8.800 6.607 ( 2.660 -0.000 -3.101) 4.085 6.878 ( -3.219 0.000 -0.704) 3.295 6.928 ( 1.838 -0.000 0.824) 2.014 7.098 ( -4.348 0.000 5.888) 7.320 7.254 ( 11.073 -0.000 0.112) 11.073 7.375 ( -3.211 0.000 0.259) 3.222 7.432 ( 8.885 -0.000 3.097) 9.409 7.464 ( 1.341 -0.000 -1.351) 1.903 7.477 ( -0.800 0.000 0.177) 0.819 7.810 ( 1.328 -0.000 -0.563) 1.443 7.910 ( -1.653 0.000 -2.247) 2.790 8.959 ( 0.916 -0.000 2.267) 2.445 9.133 ( -10.443 0.000 -3.080) 10.888 9.145 ( 4.547 -0.000 0.608) 4.588 9.246 ( -6.189 0.000 -1.356) 6.335 9.765 ( 2.894 -0.000 -1.834) 3.426 9.904 ( -0.693 0.000 -3.269) 3.341 10.023 ( -7.340 0.000 9.171) 11.747 10.497 ( 11.499 -0.000 -3.227) 11.944 10.613 ( -8.484 0.000 1.897) 8.693 10.638 ( 0.503 -0.000 0.797) 0.943 10.915 ( -3.191 0.000 1.882) 3.705 11.107 ( 2.844 -0.000 -0.672) 2.922 11.392 ( 11.539 -0.000 2.289) 11.764 11.652 ( 9.768 -0.000 -3.988) 10.550 12.387 ( -10.785 0.000 12.427) 16.454 12.608 ( 4.155 -0.000 -4.862) 6.396 12.720 ( -52.906 0.000 -6.728) 53.332 13.241 ( 10.281 -0.000 6.389) 12.104 13.251 ( 43.409 -0.000 -8.854) 44.303 13.528 ( -15.896 0.000 2.114) 16.036 14.195 ( 4.021 -0.000 1.092) 4.166 14.411 ( -19.833 0.000 2.802) 20.030 14.514 ( -2.817 0.000 -3.530) 4.516 14.628 ( 7.306 -0.000 -2.760) 7.811 14.800 ( 1.485 -0.000 -1.985) 2.479 14.869 ( -13.600 0.000 -5.939) 14.840 15.277 ( -11.024 0.000 9.773) 14.733 15.300 ( -6.514 0.000 3.689) 7.486 15.587 ( 3.813 -0.000 -3.199) 4.977 15.627 ( 0.505 -0.000 -0.116) 0.518 15.704 ( 25.490 -0.000 0.791) 25.502 15.748 ( -2.189 0.000 -1.139) 2.467 24.631 ( -0.359 0.000 1.020) 1.081 24.756 ( 0.423 -0.000 -1.795) 1.844 24.871 ( -0.400 0.000 1.355) 1.413 24.904 ( 0.188 -0.000 0.274) 0.332 25.317 ( 4.000 -0.000 0.279) 4.009 25.405 ( -9.852 0.000 -2.121) 10.078 25.515 ( 0.925 -0.000 1.532) 1.790 25.520 ( -2.123 0.000 2.378) 3.188 26.113 ( 0.904 -0.000 -3.727) 3.835 26.134 ( -3.237 0.000 -4.312) 5.392 26.910 ( 4.901 -0.000 3.694) 6.137 27.026 ( -73.413 0.000 1.184) 73.422 27.256 ( -0.595 0.000 1.489) 1.603 27.468 ( 1.108 -0.000 -3.045) 3.240 28.193 ( 100.989 -0.000 1.731) 101.004 28.237 ( -12.419 0.000 0.901) 12.452 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 2.237 -9.255 20.928) 22.993 0.960 ( 5.764 -19.869 17.200) 26.904 1.264 ( 2.804 -27.149 12.559) 30.045 1.668 ( -3.358 -6.957 -1.489) 7.867 1.755 ( 14.853 -10.062 25.167) 30.907 2.149 ( 12.606 -6.296 -8.189) 16.297 2.186 ( 0.369 -4.654 -8.940) 10.086 2.444 ( -1.509 -15.864 9.900) 18.760 2.484 ( -9.316 -7.363 4.927) 12.856 2.612 ( -2.289 -8.054 5.327) 9.924 2.897 ( 4.856 -1.732 1.200) 5.293 2.966 ( -2.585 -1.278 -6.959) 7.533 3.259 ( -3.822 3.919 -7.346) 9.161 3.319 ( -6.061 -1.199 -9.353) 11.209 3.521 ( -2.144 -2.761 10.606) 11.168 3.674 ( -8.178 1.767 -8.277) 11.768 3.838 ( -3.935 2.439 -1.823) 4.976 3.929 ( 3.845 4.862 2.336) 6.624 4.125 ( -0.247 -2.475 -3.418) 4.227 4.293 ( 4.907 0.434 -0.515) 4.953 4.326 ( -6.491 7.032 3.355) 10.141 4.428 ( 11.379 -1.189 7.915) 13.912 4.591 ( 1.858 -2.485 6.834) 7.506 5.025 ( 0.587 -1.659 -3.546) 3.959 5.099 ( -4.429 -3.532 -10.894) 12.279 5.159 ( 4.284 0.689 -6.714) 7.994 5.214 ( 1.846 -0.544 1.848) 2.668 5.328 ( 1.863 -1.497 -2.160) 3.221 5.408 ( 2.543 4.227 -0.388) 4.948 5.440 ( 3.728 -5.233 -3.985) 7.561 5.486 ( -1.983 -0.202 -4.824) 5.220 5.644 ( 4.132 -4.861 -1.390) 6.530 6.016 ( -0.524 6.725 2.296) 7.126 6.139 ( -5.060 -0.338 -1.317) 5.240 6.180 ( -1.316 1.462 -0.104) 1.969 6.355 ( -5.658 -1.935 -3.005) 6.692 6.392 ( 0.020 1.051 -0.288) 1.090 6.637 ( 2.024 0.324 -5.735) 6.091 6.720 ( -5.617 10.053 1.926) 11.676 6.903 ( -0.932 3.798 0.598) 3.957 7.097 ( -3.601 -1.394 5.441) 6.672 7.321 ( 1.666 -2.238 1.172) 3.027 7.357 ( 3.442 -2.122 -0.097) 4.045 7.430 ( -0.666 -0.598 5.194) 5.271 7.525 ( -1.484 -7.021 -1.961) 7.439 7.637 ( 7.015 -2.779 -1.000) 7.612 7.810 ( -3.174 -2.905 -0.230) 4.308 7.915 ( -2.225 -3.578 -4.312) 6.028 8.862 ( -11.439 7.693 9.086) 16.511 8.971 ( -0.120 0.702 3.549) 3.619 9.216 ( 1.431 -1.599 0.036) 2.146 9.381 ( 4.926 -8.439 -5.928) 11.430 9.813 ( 4.574 -0.646 -2.523) 5.264 9.895 ( 0.341 -3.446 -4.356) 5.564 10.043 ( -5.778 -3.706 6.192) 9.245 10.501 ( -10.790 0.290 5.773) 12.241 10.542 ( -2.728 0.585 -1.921) 3.387 10.680 ( 1.329 -3.070 1.728) 3.766 10.876 ( -6.067 0.764 2.761) 6.710 11.073 ( -3.479 1.806 -0.518) 3.954 11.225 ( 6.860 15.561 7.568) 18.614 11.753 ( 7.771 0.524 -4.388) 8.940 12.269 ( -9.214 4.320 4.393) 11.084 12.487 ( -21.661 -6.115 4.481) 22.949 12.682 ( -4.982 -2.941 -3.695) 6.864 13.313 ( 23.213 7.591 -2.810) 24.583 13.418 ( -8.440 -0.892 -2.914) 8.973 13.515 ( 20.397 -0.514 -4.468) 20.887 14.150 ( -0.392 8.957 3.233) 9.530 14.274 ( -5.039 3.050 3.847) 7.035 14.430 ( -6.413 1.170 -3.143) 7.237 14.615 ( 2.971 3.317 -0.054) 4.453 14.789 ( 1.929 2.891 -1.038) 3.628 14.848 ( -0.226 -4.759 -0.210) 4.769 15.194 ( -4.544 3.097 4.974) 7.415 15.242 ( -0.914 9.122 3.724) 9.895 15.483 ( -0.941 -0.404 0.744) 1.266 15.623 ( -2.503 -1.055 -0.585) 2.778 15.768 ( 6.208 -1.955 1.689) 6.724 16.018 ( 7.521 -6.799 -11.352) 15.221 24.645 ( -0.003 -1.012 1.188) 1.561 24.750 ( 0.567 0.009 -2.032) 2.109 24.866 ( -0.713 0.632 1.575) 1.841 24.915 ( 0.015 -0.669 0.104) 0.677 25.195 ( -4.223 7.701 8.234) 12.039 25.415 ( 1.184 -2.584 -1.900) 3.419 25.486 ( -2.560 -0.647 1.207) 2.903 25.613 ( -0.864 -4.964 -0.313) 5.048 25.880 ( 1.271 10.299 5.296) 11.650 26.089 ( -6.434 1.270 -2.732) 7.104 26.891 ( -23.770 -11.151 0.602) 26.263 27.011 ( -6.654 -7.124 5.726) 11.306 27.335 ( -3.920 -11.932 -0.481) 12.569 27.510 ( -0.951 -6.137 -2.967) 6.883 28.103 ( -7.369 3.455 -3.419) 8.828 28.656 ( 59.245 18.811 -9.897) 62.943 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 7.790 -8.575 13.303) 17.640 1.445 ( 1.398 -18.583 9.743) 21.029 1.670 ( -7.431 -16.698 -4.058) 18.722 1.878 ( 6.368 -14.822 8.815) 18.384 2.093 ( 14.064 -6.900 -0.224) 15.667 2.219 ( 1.198 -5.620 -7.917) 9.783 2.440 ( 6.095 -11.067 9.723) 15.943 2.517 ( -8.671 -3.159 6.196) 11.115 2.740 ( -5.699 -5.769 4.483) 9.266 2.837 ( 1.489 -14.304 6.614) 15.829 2.959 ( -1.031 -6.366 -7.310) 9.749 3.054 ( 2.504 -5.147 2.671) 6.316 3.081 ( -5.927 4.244 -0.417) 7.302 3.276 ( -2.005 -2.947 -8.778) 9.474 3.582 ( -6.538 -4.513 -7.140) 10.681 3.650 ( -0.697 5.286 0.436) 5.349 3.693 ( 0.686 -4.668 4.783) 6.718 3.895 ( 0.593 3.879 2.248) 4.522 4.051 ( -2.301 5.935 -3.688) 7.356 4.226 ( -2.436 0.166 0.539) 2.500 4.332 ( 7.467 2.314 2.117) 8.099 4.559 ( 5.232 -1.261 3.732) 6.550 4.677 ( -0.424 -1.746 7.849) 8.052 5.017 ( -4.860 -0.500 -12.954) 13.845 5.035 ( -0.415 -0.738 -1.293) 1.546 5.125 ( 7.759 4.770 -4.829) 10.308 5.181 ( -2.581 2.095 -5.769) 6.658 5.362 ( -2.832 -2.049 4.884) 6.006 5.408 ( 3.360 -2.672 -5.134) 6.692 5.480 ( 5.677 -4.492 -5.079) 8.843 5.581 ( 0.599 -3.482 1.595) 3.876 5.777 ( 5.558 -3.581 -1.913) 6.883 5.923 ( 0.376 2.214 1.841) 2.904 6.091 ( -6.953 -1.057 -2.523) 7.472 6.158 ( -1.839 0.916 2.053) 2.905 6.272 ( -5.134 2.991 -4.241) 7.300 6.379 ( 0.499 2.698 2.058) 3.430 6.436 ( -2.963 9.111 -3.236) 10.112 6.660 ( -0.632 0.817 1.226) 1.603 6.838 ( 0.392 3.228 1.325) 3.512 7.158 ( -3.741 -5.500 3.904) 7.713 7.353 ( -0.015 -0.471 1.472) 1.546 7.444 ( -2.394 -4.118 -1.704) 5.059 7.515 ( 2.127 -4.429 6.068) 7.808 7.631 ( -0.887 -6.258 -2.290) 6.723 7.679 ( -1.514 -2.152 -0.864) 2.769 7.875 ( -3.364 -6.665 -0.232) 7.469 7.961 ( 2.559 -3.897 -3.479) 5.817 8.740 ( -9.373 2.661 9.162) 13.375 8.980 ( -0.146 0.167 3.992) 3.998 9.265 ( 3.119 -2.307 -1.463) 4.146 9.524 ( 5.233 -5.124 -1.838) 7.551 9.792 ( -0.798 1.118 -2.459) 2.817 10.030 ( 6.364 -8.122 -7.343) 12.664 10.098 ( -1.525 -4.782 0.225) 5.024 10.411 ( -12.941 1.347 7.008) 14.778 10.532 ( -0.665 -1.700 -0.673) 1.945 10.745 ( -0.857 1.616 4.110) 4.499 10.812 ( -2.552 0.128 -1.289) 2.862 11.031 ( -0.799 -0.020 -0.048) 0.800 11.094 ( 9.736 11.598 6.935) 16.655 11.720 ( 6.286 6.051 -9.320) 12.766 12.104 ( -12.706 7.951 8.596) 17.278 12.416 ( -19.781 -2.534 2.939) 20.158 12.681 ( 1.972 -1.004 -0.670) 2.312 13.289 ( 18.195 10.611 -7.388) 22.321 13.345 ( -4.579 0.376 -2.299) 5.137 13.677 ( 16.222 0.226 0.283) 16.226 14.024 ( -0.738 3.907 3.192) 5.099 14.202 ( 2.339 5.602 -0.412) 6.085 14.363 ( -8.474 -1.670 -0.406) 8.647 14.587 ( -3.612 1.346 2.840) 4.788 14.718 ( 2.902 4.958 0.119) 5.746 14.931 ( 1.657 -2.171 1.436) 3.086 15.036 ( -2.427 11.337 4.525) 12.445 15.200 ( 1.272 -2.352 -2.451) 3.627 15.521 ( -1.846 -2.978 1.175) 3.696 15.623 ( -0.836 -0.906 -2.708) 2.975 15.856 ( 2.157 -2.876 2.685) 4.487 16.050 ( 3.249 0.717 -8.945) 9.544 24.676 ( 0.310 -1.572 0.962) 1.869 24.744 ( 0.540 0.134 -1.892) 1.972 24.861 ( -0.557 0.137 1.899) 1.984 24.921 ( -0.359 -0.047 -0.324) 0.486 25.113 ( -2.514 3.673 7.553) 8.766 25.424 ( 0.023 0.877 -3.922) 4.019 25.512 ( -0.210 -2.008 2.914) 3.545 25.658 ( -3.122 -3.975 -4.170) 6.553 25.832 ( 2.157 2.493 7.870) 8.533 26.021 ( -0.307 1.661 -1.707) 2.401 26.859 ( -12.617 -3.143 0.504) 13.012 27.055 ( -8.081 -1.885 4.096) 9.254 27.555 ( -6.070 -16.508 -4.099) 18.060 27.645 ( -1.627 -10.677 -1.236) 10.871 27.995 ( -0.262 1.903 -2.966) 3.534 28.617 ( 34.374 22.651 -4.753) 41.440 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 6.423 -3.880 7.360) 10.511 1.696 ( -5.426 -9.949 4.472) 12.182 1.852 ( 0.032 -7.712 -6.603) 10.153 2.116 ( 2.933 -1.692 5.525) 6.480 2.312 ( 7.289 -4.403 1.067) 8.583 2.349 ( 7.025 -9.763 -2.940) 12.382 2.517 ( -5.900 -0.755 7.118) 9.276 2.603 ( -0.682 -0.010 2.574) 2.663 2.798 ( -5.478 -5.852 1.715) 8.197 2.960 ( 2.210 -0.661 -6.034) 6.460 3.007 ( -1.421 -3.079 3.349) 4.766 3.046 ( -6.113 -5.621 -0.473) 8.318 3.168 ( -5.395 -3.509 -2.128) 6.778 3.271 ( -1.789 -1.726 -3.186) 4.041 3.443 ( -5.457 4.552 3.316) 7.842 3.688 ( 2.583 -5.449 -3.423) 6.934 3.799 ( 1.775 3.533 0.013) 3.954 3.918 ( 5.699 1.351 -5.797) 8.241 3.968 ( 0.339 -3.609 7.941) 8.729 4.218 ( 1.106 1.342 -0.332) 1.770 4.367 ( 6.815 1.902 3.897) 8.078 4.604 ( 0.086 0.004 2.214) 2.216 4.696 ( -4.004 -0.092 -0.790) 4.082 4.929 ( 0.724 5.350 -2.406) 5.910 4.996 ( -0.690 -3.950 -4.741) 6.209 5.136 ( 2.982 -2.805 -3.171) 5.179 5.201 ( 5.791 -3.212 -3.073) 7.301 5.369 ( 0.085 1.271 -2.721) 3.004 5.431 ( -1.628 -1.494 -3.122) 3.825 5.558 ( -0.131 -1.151 1.452) 1.858 5.689 ( 3.873 -2.671 3.921) 6.124 5.752 ( -4.147 -0.406 0.212) 4.172 5.991 ( 5.250 -1.383 0.849) 5.496 6.041 ( -7.037 -1.520 -2.408) 7.591 6.095 ( -6.531 1.158 -4.010) 7.750 6.206 ( -0.369 0.399 3.224) 3.269 6.273 ( -3.658 1.188 -0.051) 3.846 6.413 ( 5.662 0.211 1.731) 5.925 6.644 ( 0.704 1.595 0.636) 1.856 6.793 ( 0.661 3.652 1.646) 4.060 7.220 ( -3.417 -2.596 0.569) 4.329 7.377 ( -6.667 -2.304 3.179) 7.737 7.427 ( 1.276 1.486 -1.276) 2.337 7.623 ( -2.030 -3.991 0.884) 4.564 7.670 ( -1.537 -1.219 -1.372) 2.394 7.756 ( 1.152 -6.109 -2.872) 6.848 7.947 ( -1.859 -3.925 -0.501) 4.372 8.059 ( 4.444 -4.218 -0.764) 6.175 8.676 ( -7.733 2.132 9.592) 12.504 9.007 ( -0.083 -0.698 3.603) 3.671 9.332 ( 4.675 -1.981 -1.163) 5.209 9.633 ( 2.207 -3.656 1.629) 4.571 9.776 ( 0.850 -1.194 -1.989) 2.471 10.044 ( -9.980 -3.181 -9.771) 14.324 10.262 ( 13.461 -3.000 -5.335) 14.787 10.332 ( -7.333 1.238 8.327) 11.164 10.564 ( -1.760 -1.623 -0.200) 2.403 10.681 ( -5.294 -1.255 3.112) 6.268 10.802 ( 3.661 3.675 -0.992) 5.281 11.000 ( 9.236 8.184 5.461) 13.494 11.132 ( 3.845 -6.506 0.385) 7.568 11.552 ( 1.785 8.894 -12.370) 15.340 11.886 ( -8.274 10.836 9.052) 16.365 12.261 ( -15.841 3.735 -0.231) 16.277 12.761 ( 1.525 -5.577 2.061) 6.138 13.221 ( 7.379 4.556 -7.003) 11.147 13.306 ( 1.522 1.806 -0.385) 2.393 13.732 ( 6.636 3.235 -1.278) 7.492 14.067 ( 5.623 -2.558 3.410) 7.057 14.123 ( 3.368 3.963 -1.915) 5.542 14.336 ( -7.061 -2.544 1.112) 7.587 14.502 ( -5.119 5.212 5.051) 8.882 14.709 ( 0.810 -0.510 0.670) 1.169 14.847 ( -2.703 8.617 1.630) 9.177 14.978 ( 1.648 -0.705 2.192) 2.832 15.261 ( 3.090 -2.837 -0.810) 4.272 15.545 ( -0.757 0.104 -0.839) 1.135 15.618 ( -0.724 -2.331 -3.478) 4.249 15.933 ( -0.237 -2.234 0.761) 2.372 15.994 ( 1.288 1.773 -4.209) 4.746 24.714 ( 0.592 -1.715 0.625) 1.919 24.735 ( 0.158 0.306 -1.091) 1.143 24.869 ( -0.131 0.099 1.596) 1.605 24.907 ( -0.661 0.519 -0.654) 1.065 25.080 ( -1.844 2.119 5.259) 5.963 25.381 ( 0.739 1.219 -3.331) 3.623 25.544 ( -0.958 -0.149 2.511) 2.691 25.672 ( -3.710 -3.079 -3.972) 6.246 25.876 ( 3.639 -0.499 6.359) 7.343 25.990 ( 2.427 3.022 -0.206) 3.882 26.827 ( -7.125 -2.449 1.847) 7.758 27.010 ( -8.289 -0.547 -0.518) 8.323 27.700 ( -1.672 -5.563 -9.163) 10.849 27.807 ( -6.619 -12.107 -0.979) 13.833 28.046 ( 2.375 -5.910 3.266) 7.158 28.439 ( 21.463 20.601 -1.147) 29.772 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -2.866 3.147 4.004) 5.844 1.749 ( -5.687 0.513 -5.075) 7.640 1.911 ( -0.920 -1.050 3.989) 4.227 2.107 ( 4.375 5.647 5.819) 9.214 2.385 ( 5.732 3.440 -9.828) 11.886 2.419 ( 2.400 5.413 -1.344) 6.072 2.555 ( -2.772 -1.803 6.620) 7.400 2.570 ( -1.673 2.286 4.917) 5.675 2.851 ( -3.083 -2.678 -1.021) 4.209 2.961 ( 1.227 -0.289 -4.900) 5.060 3.027 ( -3.158 -0.212 3.889) 5.014 3.077 ( -4.137 -4.908 -3.288) 7.212 3.176 ( -0.650 5.885 -2.346) 6.369 3.230 ( 0.358 -8.251 2.255) 8.561 3.493 ( -2.079 -5.469 5.644) 8.130 3.675 ( -2.376 0.289 -3.982) 4.646 3.814 ( -1.273 1.715 -0.731) 2.257 3.886 ( 4.766 -1.851 -4.757) 6.983 4.031 ( 6.848 4.931 2.294) 8.745 4.224 ( 2.046 -1.154 1.600) 2.842 4.365 ( 5.725 8.021 6.524) 11.818 4.556 ( -4.480 5.974 -0.279) 7.472 4.611 ( -2.912 2.384 -6.170) 7.228 4.909 ( 3.103 -1.061 -3.291) 4.646 5.063 ( 0.687 -1.439 -1.097) 1.935 5.209 ( 0.902 -3.888 -0.185) 3.995 5.303 ( 5.983 -2.016 -1.941) 6.605 5.321 ( 2.623 -0.183 -5.164) 5.795 5.408 ( -5.869 -3.405 1.762) 7.010 5.619 ( -6.897 1.236 -1.393) 7.144 5.629 ( 3.700 -2.595 3.234) 5.557 5.862 ( -1.715 -3.176 6.141) 7.123 5.977 ( -7.597 0.086 0.198) 7.601 5.996 ( 0.763 1.244 -2.992) 3.329 6.103 ( 4.323 -3.922 -1.951) 6.155 6.212 ( -0.486 -1.250 1.652) 2.128 6.321 ( -0.131 -4.434 4.906) 6.614 6.485 ( 4.264 -1.929 0.592) 4.717 6.623 ( 1.605 2.892 2.213) 3.979 6.734 ( -0.191 3.191 0.784) 3.292 7.223 ( 1.862 0.459 -2.476) 3.132 7.300 ( -3.266 4.556 2.163) 6.008 7.456 ( -4.495 -3.593 -0.759) 5.804 7.591 ( -2.440 3.195 -3.488) 5.323 7.690 ( -0.723 -1.281 0.774) 1.662 7.808 ( 1.248 0.289 -3.568) 3.791 7.989 ( 0.860 -0.880 0.542) 1.345 8.142 ( 2.716 -1.440 -0.791) 3.175 8.644 ( -4.437 1.061 11.028) 11.935 9.017 ( -1.459 1.033 2.365) 2.965 9.386 ( 3.968 0.363 0.301) 3.996 9.711 ( -1.058 -2.780 4.752) 5.606 9.827 ( 0.792 -2.625 0.970) 2.908 9.930 ( -7.721 -0.403 -11.414) 13.786 10.287 ( 10.187 6.030 -5.788) 13.177 10.349 ( -2.342 -3.625 5.087) 6.671 10.507 ( -1.723 4.861 -1.829) 5.472 10.755 ( -1.969 1.348 -1.931) 3.070 10.787 ( -0.895 -8.027 3.852) 8.948 10.968 ( 4.042 6.709 5.976) 9.852 11.328 ( 6.927 -1.958 -5.182) 8.870 11.366 ( -0.224 -1.844 -2.899) 3.443 11.747 ( 2.231 2.780 4.272) 5.564 12.036 ( -8.763 6.953 -5.277) 12.368 12.891 ( -3.070 -6.507 5.830) 9.260 13.168 ( 2.294 1.705 -8.015) 8.509 13.300 ( 2.796 1.083 -0.411) 3.026 13.713 ( 0.314 0.506 -1.799) 1.895 14.059 ( 0.492 1.610 -2.118) 2.706 14.229 ( 5.961 -3.806 5.302) 8.839 14.339 ( -6.452 -1.867 1.232) 6.828 14.421 ( -1.218 1.423 5.605) 5.909 14.690 ( 0.313 3.817 0.132) 3.832 14.746 ( 1.740 1.243 -0.794) 2.281 15.010 ( -2.502 -1.532 3.394) 4.486 15.315 ( 1.228 -0.194 -0.533) 1.352 15.525 ( 0.161 -0.447 -0.658) 0.811 15.664 ( 0.278 -4.273 -2.935) 5.191 15.865 ( -1.509 4.356 -4.269) 6.283 16.046 ( 1.078 -3.672 1.286) 4.037 24.721 ( -0.275 0.800 -0.064) 0.848 24.754 ( 0.784 -1.790 0.155) 1.960 24.851 ( -0.757 1.674 -0.074) 1.839 24.904 ( 0.355 -0.332 0.205) 0.528 25.052 ( -2.258 1.612 3.562) 4.514 25.375 ( 3.154 -0.053 -1.442) 3.468 25.539 ( -2.349 -0.332 1.376) 2.742 25.659 ( -2.847 -0.627 -3.462) 4.526 25.945 ( 0.487 1.758 -2.583) 3.163 25.966 ( 6.377 0.622 9.116) 11.143 26.844 ( -1.800 -1.971 1.741) 3.187 26.944 ( -5.125 0.471 -2.166) 5.584 27.677 ( 1.074 1.237 -8.977) 9.126 27.927 ( -4.053 -5.623 -3.425) 7.732 28.130 ( 3.037 4.391 2.863) 6.058 28.341 ( 3.704 -1.146 3.209) 5.032 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -10.770 8.205 3.966) 14.109 1.532 ( -9.696 13.881 -0.271) 16.935 1.880 ( 2.374 9.075 9.577) 13.406 2.055 ( 4.693 13.069 3.354) 14.286 2.175 ( -2.333 11.632 -11.223) 16.331 2.294 ( -0.113 6.772 -3.933) 7.832 2.486 ( -1.460 5.653 2.829) 6.488 2.620 ( 2.227 -2.283 1.155) 3.393 2.775 ( -2.852 5.852 -1.950) 6.796 2.948 ( 2.146 4.164 2.417) 5.271 3.011 ( -4.744 3.673 -0.662) 6.036 3.102 ( 3.556 3.525 3.593) 6.163 3.158 ( 2.373 -9.032 0.525) 9.353 3.370 ( 2.205 -1.927 -1.968) 3.528 3.583 ( 0.338 -3.256 1.780) 3.726 3.676 ( 0.940 -5.037 -4.046) 6.529 3.768 ( -3.512 1.881 0.136) 3.987 3.948 ( 2.711 -5.127 -3.221) 6.634 3.988 ( 3.029 7.225 9.448) 12.273 4.254 ( -0.334 2.776 -5.854) 6.487 4.307 ( 2.611 2.215 9.423) 10.026 4.393 ( -0.969 7.071 -0.154) 7.139 4.465 ( -1.732 6.396 -9.235) 11.367 4.926 ( 2.436 -2.098 -6.783) 7.506 5.055 ( 0.536 1.720 1.374) 2.266 5.230 ( -0.108 -0.649 -0.902) 1.117 5.328 ( 0.531 0.478 0.179) 0.737 5.385 ( 4.174 -2.342 -4.487) 6.561 5.484 ( -5.958 -4.937 1.450) 7.872 5.591 ( 1.295 -3.074 0.720) 3.412 5.702 ( 1.890 -0.116 1.149) 2.215 5.846 ( -4.845 2.269 1.883) 5.671 5.896 ( -8.884 0.840 1.746) 9.093 5.998 ( 3.724 0.723 -3.794) 5.365 6.200 ( 3.003 -4.967 -2.865) 6.472 6.325 ( 2.749 -7.960 0.675) 8.448 6.415 ( 2.954 -0.510 9.039) 9.523 6.552 ( -0.261 -2.799 -3.072) 4.164 6.576 ( -0.356 2.224 6.947) 7.303 6.727 ( 3.149 -0.907 -1.340) 3.540 7.147 ( 0.949 7.240 0.236) 7.306 7.274 ( 1.124 0.352 0.823) 1.437 7.425 ( -5.356 1.204 -5.326) 7.649 7.503 ( -0.620 2.343 1.056) 2.643 7.676 ( -0.859 2.916 -0.026) 3.040 7.752 ( 2.185 4.868 -2.093) 5.732 7.976 ( 3.341 4.700 0.550) 5.793 8.141 ( 0.625 2.019 -2.351) 3.162 8.686 ( -0.738 -1.195 12.002) 12.084 8.974 ( -2.349 2.488 1.613) 3.783 9.376 ( 1.512 3.910 1.345) 4.403 9.744 ( -11.807 -0.854 2.590) 12.118 9.785 ( -4.701 -2.051 -2.409) 5.666 9.934 ( 10.610 0.738 -2.657) 10.963 10.218 ( 8.607 7.267 -4.848) 12.263 10.417 ( -3.911 1.834 0.591) 4.360 10.445 ( 2.871 -4.247 0.503) 5.151 10.654 ( -3.441 5.487 -1.270) 6.600 10.893 ( -2.939 1.945 0.702) 3.593 10.914 ( -0.591 -3.479 3.019) 4.644 11.198 ( -2.346 3.828 -2.617) 5.197 11.582 ( -2.281 -7.377 -1.862) 7.943 11.902 ( 14.221 -0.955 -8.447) 16.568 11.910 ( 7.552 -8.695 8.804) 14.496 12.971 ( -3.020 0.596 7.771) 8.359 13.138 ( -4.126 -6.093 -8.786) 11.461 13.291 ( 2.704 1.527 -3.891) 4.979 13.706 ( -4.638 -2.513 -1.344) 5.443 14.041 ( -1.923 -1.070 0.433) 2.243 14.266 ( -10.305 -0.902 2.490) 10.640 14.371 ( 5.546 -2.877 1.391) 6.401 14.493 ( 2.443 -2.152 6.726) 7.472 14.684 ( 5.118 0.444 1.228) 5.282 14.762 ( 1.768 -3.300 -1.623) 4.080 15.029 ( -5.712 -2.337 4.230) 7.482 15.277 ( -0.543 2.426 -3.444) 4.247 15.557 ( 0.170 -1.295 1.749) 2.183 15.715 ( -0.003 -1.381 -6.342) 6.491 15.763 ( -0.748 2.863 1.733) 3.429 16.118 ( 0.917 -3.534 -2.436) 4.389 24.698 ( -0.687 1.519 0.619) 1.778 24.787 ( 0.694 -0.916 -1.708) 2.059 24.820 ( -0.498 0.682 1.069) 1.362 24.913 ( 0.791 0.131 0.054) 0.803 25.028 ( -2.710 0.577 4.049) 4.906 25.407 ( 4.434 0.052 -0.281) 4.443 25.543 ( -2.316 -1.574 0.978) 2.967 25.612 ( -1.505 1.810 -2.631) 3.531 25.904 ( -1.119 1.103 -1.536) 2.198 26.061 ( 7.605 0.758 8.786) 11.645 26.838 ( 0.103 1.044 -5.513) 5.611 26.923 ( 2.709 0.799 3.990) 4.888 27.599 ( 2.884 4.510 -6.822) 8.672 27.827 ( 6.199 12.521 -5.066) 14.861 28.155 ( -8.011 -6.768 6.843) 12.522 28.449 ( -9.866 -10.411 -3.048) 14.663 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -13.678 12.836 6.516) 19.857 1.177 ( -9.442 19.137 16.789) 27.152 1.536 ( -2.658 31.083 -0.662) 31.204 1.691 ( -0.224 29.859 5.458) 30.355 2.022 ( 2.290 2.645 1.448) 3.786 2.147 ( -2.263 7.560 -6.436) 10.183 2.389 ( -0.127 4.975 -1.517) 5.203 2.624 ( 4.852 9.146 -2.087) 10.561 2.633 ( 0.942 5.950 -0.969) 6.102 2.831 ( -6.080 8.099 0.362) 10.134 2.923 ( 0.869 3.702 3.831) 5.398 3.062 ( -3.559 2.326 4.032) 5.859 3.343 ( 0.883 -1.338 -2.463) 2.939 3.380 ( 7.133 -1.560 5.248) 8.992 3.612 ( -6.065 -1.059 -0.797) 6.208 3.671 ( 6.305 1.186 -2.362) 6.837 3.818 ( 3.872 -3.867 -2.799) 6.147 3.972 ( 1.241 1.709 10.047) 10.267 4.046 ( -6.889 -6.285 -2.908) 9.768 4.158 ( -0.758 1.876 -5.748) 6.094 4.243 ( 8.285 6.360 -1.715) 10.584 4.321 ( -2.797 -0.515 -3.976) 4.889 4.442 ( 5.485 -1.842 3.160) 6.593 4.972 ( 3.369 -2.283 -3.590) 5.427 5.054 ( 0.354 -1.196 2.886) 3.144 5.235 ( 1.249 0.142 -3.237) 3.472 5.295 ( -1.823 2.371 1.124) 3.195 5.415 ( -0.679 -2.372 -5.748) 6.255 5.473 ( 1.377 3.753 0.912) 4.100 5.617 ( -6.314 3.107 -3.566) 7.889 5.688 ( 1.508 0.789 0.212) 1.715 5.740 ( -5.847 3.231 -4.096) 7.836 5.863 ( -1.934 -3.074 0.909) 3.744 6.042 ( 4.148 -3.339 -0.049) 5.325 6.245 ( -0.542 -0.983 -4.444) 4.584 6.407 ( -2.419 1.129 -0.956) 2.835 6.525 ( 3.712 -3.853 7.548) 9.252 6.591 ( 3.147 -5.094 1.617) 6.202 6.690 ( 2.016 -7.241 4.379) 8.699 6.750 ( 1.305 -1.170 -7.228) 7.437 7.057 ( 0.590 5.065 5.829) 7.744 7.199 ( -1.657 6.060 -2.128) 6.633 7.369 ( 1.836 2.670 1.876) 3.744 7.479 ( -3.796 -0.191 1.285) 4.012 7.589 ( 0.817 4.658 -1.791) 5.057 7.670 ( 1.707 5.937 0.961) 6.251 7.900 ( 5.348 7.550 -0.320) 9.257 8.068 ( 0.480 4.155 -4.780) 6.352 8.783 ( -0.360 -2.442 13.567) 13.790 8.933 ( -1.281 0.839 1.296) 2.006 9.294 ( -0.798 5.654 1.256) 5.847 9.630 ( -12.064 -0.481 -4.264) 12.804 9.801 ( -0.833 -0.983 -0.537) 1.396 9.980 ( 5.461 2.109 2.115) 6.224 10.159 ( 13.748 5.890 -3.035) 15.261 10.273 ( -3.157 10.330 0.406) 10.809 10.554 ( 3.561 -3.175 4.463) 6.533 10.603 ( 2.795 -0.043 -0.057) 2.796 10.825 ( -8.342 -0.408 -1.968) 8.580 10.970 ( -1.581 -3.409 0.189) 3.763 11.158 ( -0.386 -0.164 1.005) 1.089 11.581 ( -3.910 -2.881 -4.209) 6.427 12.092 ( 13.862 -6.043 2.028) 15.257 12.292 ( 17.628 -12.739 7.036) 22.859 12.880 ( 0.222 9.208 2.790) 9.624 13.227 ( -9.377 -10.350 -6.554) 15.427 13.267 ( 3.301 -1.441 -8.257) 9.009 13.698 ( -10.514 -3.117 1.946) 11.138 14.082 ( -4.489 -6.216 0.251) 7.671 14.247 ( -8.980 -5.821 3.492) 11.256 14.455 ( 6.491 -0.223 0.965) 6.566 14.585 ( 1.859 -1.529 4.734) 5.311 14.704 ( -2.672 -3.171 -0.692) 4.204 14.887 ( 3.283 -4.169 1.259) 5.454 15.045 ( -5.535 -2.733 4.959) 7.918 15.225 ( 1.820 0.471 -3.010) 3.549 15.564 ( -1.503 1.400 2.332) 3.108 15.649 ( -0.226 2.412 -3.721) 4.440 15.754 ( -1.989 1.147 0.905) 2.469 16.152 ( 1.351 -1.835 -8.336) 8.642 24.665 ( -0.827 1.723 1.084) 2.197 24.776 ( 0.144 0.394 -2.056) 2.098 24.835 ( 0.118 -0.918 1.228) 1.537 24.914 ( 0.829 0.486 0.032) 0.962 25.041 ( -2.961 -2.020 6.998) 7.863 25.440 ( 3.609 0.212 0.614) 3.667 25.547 ( -1.686 0.198 -0.491) 1.767 25.557 ( 0.663 2.427 0.967) 2.695 25.863 ( -2.336 0.797 -2.341) 3.402 26.161 ( 4.826 -0.831 7.927) 9.318 26.812 ( 6.864 1.886 -1.705) 7.320 26.969 ( 12.387 2.920 3.158) 13.113 27.505 ( 8.152 8.149 -3.076) 11.930 27.630 ( 5.050 11.093 -3.461) 12.670 28.242 ( -11.871 -7.800 5.342) 15.175 28.454 ( -24.396 -9.733 -14.318) 29.915 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -10.053 14.409 18.882) 25.792 0.800 ( -6.993 27.150 12.800) 30.820 1.046 ( 0.633 19.315 25.313) 31.847 1.166 ( -1.199 29.953 21.100) 36.658 1.914 ( -6.070 8.189 -8.997) 13.596 2.015 ( 9.485 4.063 -4.288) 11.174 2.295 ( -0.602 4.661 -6.646) 8.140 2.382 ( 0.416 14.540 5.096) 15.413 2.553 ( -2.847 2.416 3.056) 4.825 2.632 ( -2.950 10.786 1.377) 11.267 2.866 ( -2.773 2.608 -0.093) 3.808 3.051 ( -2.309 -2.840 -1.920) 4.133 3.359 ( -0.459 -3.265 -2.765) 4.303 3.422 ( 0.432 2.219 7.363) 7.702 3.537 ( -5.877 2.570 -7.316) 9.730 3.776 ( 5.853 -2.659 4.626) 7.920 3.857 ( -1.571 -1.932 -2.914) 3.833 3.940 ( -0.499 0.080 -6.325) 6.345 4.107 ( 3.514 1.623 3.855) 5.463 4.151 ( 5.644 -2.359 2.177) 6.493 4.267 ( 2.865 -1.294 -5.032) 5.933 4.353 ( 2.447 -4.329 -1.140) 5.101 4.509 ( 2.961 1.856 3.448) 4.909 5.000 ( 4.956 0.775 -1.376) 5.202 5.139 ( -0.163 -4.155 1.265) 4.347 5.193 ( 1.917 2.953 -7.281) 8.087 5.224 ( -3.109 4.233 -0.521) 5.278 5.375 ( 0.237 5.162 2.439) 5.714 5.426 ( 0.875 0.247 -6.790) 6.851 5.457 ( -6.829 3.212 -5.490) 9.333 5.593 ( -5.943 2.447 -2.465) 6.883 5.666 ( -2.284 0.908 -3.571) 4.335 5.973 ( 2.193 -6.555 2.461) 7.337 6.149 ( 2.259 -3.973 0.380) 4.586 6.226 ( -0.179 -0.180 -2.477) 2.490 6.355 ( 0.310 1.470 0.317) 1.535 6.550 ( -7.308 1.047 -2.599) 7.827 6.666 ( 0.728 0.651 -5.697) 5.780 6.796 ( 0.415 -8.342 -3.637) 9.110 6.896 ( 4.688 -5.063 2.495) 7.337 7.008 ( 4.182 0.873 8.539) 9.548 7.139 ( 5.157 3.499 6.661) 9.122 7.334 ( -1.793 1.435 2.207) 3.185 7.444 ( -3.638 1.406 2.311) 4.534 7.534 ( 2.340 3.948 -0.201) 4.594 7.579 ( -2.060 4.528 -0.371) 4.989 7.813 ( 5.107 5.095 -1.905) 7.461 7.973 ( 1.319 4.285 -3.997) 6.007 8.917 ( -3.082 -7.304 11.468) 13.942 8.937 ( -1.050 -1.636 2.516) 3.180 9.210 ( -0.713 2.891 0.531) 3.025 9.493 ( -8.078 4.017 -10.456) 13.810 9.788 ( 0.798 1.320 -3.516) 3.840 9.948 ( -1.078 2.403 -2.919) 3.931 10.078 ( -8.452 5.212 9.565) 13.788 10.304 ( 34.858 3.091 3.006) 35.123 10.630 ( 3.927 1.184 0.603) 4.145 10.639 ( -0.181 -0.382 4.698) 4.717 10.821 ( -4.525 -7.918 5.058) 10.428 11.020 ( 0.090 -3.345 0.469) 3.379 11.183 ( -0.954 -2.921 3.394) 4.579 11.624 ( 7.884 -1.039 -3.674) 8.760 12.296 ( -1.539 -7.527 8.303) 11.312 12.612 ( 1.252 -0.964 4.358) 4.636 12.829 ( 30.089 -0.175 -0.163) 30.090 13.213 ( -7.489 0.338 -7.725) 10.765 13.249 ( -7.383 -0.229 -12.446) 14.473 13.648 ( -16.628 -1.563 4.673) 17.342 14.145 ( -2.912 -4.538 -1.639) 5.635 14.403 ( -11.045 -16.246 2.682) 19.827 14.523 ( 6.659 -1.882 -0.400) 6.931 14.573 ( -6.947 0.647 -0.190) 6.980 14.772 ( 1.106 -3.254 -1.295) 3.672 14.916 ( -6.622 -3.061 3.104) 7.928 15.131 ( 1.471 -6.784 9.220) 11.541 15.284 ( -3.032 -5.340 0.421) 6.155 15.504 ( -2.541 3.960 2.931) 5.543 15.603 ( 1.876 1.646 -3.175) 4.038 15.690 ( -2.539 3.288 1.302) 4.354 16.067 ( 2.405 8.969 -15.823) 18.347 24.639 ( -0.669 1.005 1.158) 1.673 24.763 ( 0.290 0.165 -1.768) 1.800 24.857 ( -0.102 -0.802 1.270) 1.506 24.909 ( 0.505 0.708 0.127) 0.878 25.155 ( -2.378 -9.181 9.282) 13.271 25.449 ( -0.700 -0.255 -1.526) 1.698 25.515 ( -1.805 1.821 0.681) 2.653 25.562 ( 3.797 1.497 4.116) 5.796 25.855 ( -1.876 -6.390 1.412) 6.807 26.219 ( -3.711 -1.224 1.747) 4.280 26.859 ( 6.695 1.066 2.583) 7.255 27.137 ( 28.673 -0.449 6.855) 29.485 27.426 ( 25.438 14.990 1.783) 29.580 27.537 ( 18.772 6.425 1.236) 19.879 28.069 ( -57.081 1.862 -31.406) 65.177 28.301 ( -13.333 -3.088 4.433) 14.386 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 10.812 -0.000 21.256) 23.848 0.990 ( 10.333 -0.000 21.685) 24.021 1.023 ( 5.088 -0.000 16.059) 16.846 1.486 ( -3.796 0.000 -12.631) 13.189 1.899 ( 8.265 -0.000 -0.668) 8.292 2.147 ( -1.106 0.000 3.609) 3.775 2.159 ( 15.636 -0.000 -12.010) 19.716 2.346 ( -9.668 0.000 11.470) 15.001 2.349 ( 5.376 -0.000 25.414) 25.976 2.584 ( -1.693 0.000 9.437) 9.587 2.858 ( -3.845 0.000 -15.952) 16.408 2.950 ( 7.497 -0.000 3.399) 8.232 3.219 ( -3.430 0.000 -8.593) 9.252 3.220 ( -3.993 0.000 -7.020) 8.076 3.532 ( -3.687 0.000 10.056) 10.710 3.615 ( -6.634 0.000 -7.097) 9.715 3.779 ( -7.008 0.000 -0.008) 7.008 3.994 ( -7.085 0.000 -1.047) 7.162 4.099 ( 6.850 -0.000 -1.580) 7.030 4.248 ( -8.863 0.000 -1.300) 8.958 4.380 ( 0.321 -0.000 7.787) 7.793 4.583 ( 10.993 -0.000 11.148) 15.656 4.637 ( 5.182 -0.000 1.909) 5.522 4.910 ( -1.760 0.000 -15.083) 15.186 5.042 ( -1.091 0.000 -4.224) 4.363 5.142 ( 2.989 -0.000 -3.855) 4.878 5.241 ( -0.017 0.000 2.982) 2.982 5.357 ( -0.382 0.000 -10.995) 11.001 5.397 ( 12.976 -0.000 -5.553) 14.114 5.446 ( 1.788 -0.000 0.507) 1.858 5.545 ( 1.586 -0.000 0.689) 1.729 5.595 ( 6.116 -0.000 1.678) 6.342 6.072 ( -8.255 0.000 1.638) 8.416 6.105 ( -1.483 0.000 4.147) 4.405 6.196 ( -0.195 0.000 -0.980) 0.999 6.300 ( -4.746 0.000 0.732) 4.802 6.306 ( -3.067 0.000 -4.978) 5.847 6.669 ( 4.545 -0.000 -6.369) 7.825 6.794 ( -5.573 0.000 4.081) 6.907 6.941 ( -2.242 0.000 -0.605) 2.322 7.056 ( -5.133 0.000 3.940) 6.471 7.263 ( -5.769 0.000 2.018) 6.112 7.331 ( 0.851 -0.000 0.919) 1.252 7.441 ( 0.049 -0.000 -2.903) 2.903 7.514 ( 1.708 -0.000 0.944) 1.951 7.623 ( 2.628 -0.000 -1.080) 2.841 7.804 ( -6.406 0.000 -2.492) 6.874 7.805 ( 4.449 -0.000 -3.309) 5.545 8.926 ( -10.360 0.000 3.265) 10.862 8.991 ( -0.894 0.000 3.661) 3.768 9.255 ( 4.298 -0.000 -1.806) 4.662 9.264 ( 6.745 -0.000 3.803) 7.743 9.828 ( 5.026 -0.000 -1.267) 5.183 9.854 ( -0.715 0.000 -3.703) 3.771 9.997 ( -3.620 0.000 3.621) 5.120 10.402 ( -22.749 0.000 16.652) 28.192 10.535 ( -0.317 0.000 -3.161) 3.177 10.634 ( -1.119 0.000 0.887) 1.428 10.837 ( -8.153 0.000 4.304) 9.219 11.026 ( -7.163 0.000 0.312) 7.170 11.408 ( -3.461 0.000 2.872) 4.498 11.779 ( 9.066 -0.000 -7.109) 11.521 12.195 ( -14.952 0.000 -2.203) 15.113 12.313 ( -11.718 0.000 10.020) 15.417 12.709 ( 8.819 -0.000 3.952) 9.664 13.321 ( -5.168 0.000 -6.334) 8.175 13.559 ( 15.166 -0.000 11.705) 19.158 13.635 ( 21.825 -0.000 -19.051) 28.970 14.222 ( -9.461 0.000 6.407) 11.427 14.334 ( 8.395 -0.000 -0.103) 8.396 14.381 ( -6.050 0.000 -5.078) 7.898 14.741 ( 1.369 0.000 0.153) 1.378 14.741 ( 3.296 0.000 0.779) 3.387 14.823 ( 3.970 -0.000 -2.221) 4.549 15.225 ( -5.783 0.000 1.234) 5.913 15.269 ( -4.143 0.000 8.233) 9.217 15.567 ( -5.642 0.000 -0.970) 5.725 15.626 ( 3.747 -0.000 -1.556) 4.057 15.725 ( 0.876 -0.000 -2.727) 2.864 15.978 ( 11.889 -0.000 -6.623) 13.609 24.644 ( 0.306 -0.000 1.430) 1.462 24.746 ( 0.873 -0.000 -2.113) 2.286 24.872 ( -1.149 0.000 1.286) 1.725 24.908 ( -0.163 0.000 0.260) 0.306 25.247 ( -8.003 0.000 2.201) 8.300 25.422 ( 6.471 -0.000 2.498) 6.936 25.473 ( -5.840 0.000 2.285) 6.271 25.550 ( 0.472 -0.000 2.413) 2.459 26.038 ( -2.311 0.000 -2.962) 3.757 26.099 ( 1.812 -0.000 -2.665) 3.223 26.391 ( -24.828 0.000 16.409) 29.760 26.988 ( -5.523 0.000 6.274) 8.358 27.255 ( -1.505 0.000 1.745) 2.305 27.437 ( 0.308 -0.000 -2.979) 2.995 28.053 ( -3.196 0.000 -6.658) 7.386 29.228 ( 44.856 -0.000 -22.104) 50.006 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 13.687 -4.048 15.512) 21.080 1.263 ( 0.724 -10.868 11.608) 15.918 1.309 ( 2.777 -14.649 2.873) 15.184 1.628 ( 5.446 -18.346 2.420) 19.290 1.979 ( 4.928 -8.403 -15.143) 18.006 2.210 ( 3.139 -5.873 2.944) 7.282 2.266 ( 4.378 -8.845 -5.914) 11.505 2.377 ( -12.481 -6.318 11.075) 17.842 2.621 ( -3.384 -3.077 8.191) 9.381 2.712 ( 5.932 -7.934 17.360) 19.987 2.797 ( 0.616 -4.945 -8.850) 10.156 3.047 ( 5.697 -2.289 0.549) 6.164 3.100 ( -5.331 3.937 -5.168) 8.404 3.221 ( 4.303 -2.429 -0.658) 4.984 3.460 ( -6.294 2.965 -6.007) 9.192 3.613 ( -0.727 -6.351 10.684) 12.451 3.748 ( -4.884 2.291 -0.594) 5.427 3.876 ( -7.439 0.951 -2.003) 7.762 4.079 ( -5.393 2.237 -5.404) 7.955 4.199 ( -2.567 -0.757 2.723) 3.818 4.451 ( 7.143 0.340 5.261) 8.878 4.628 ( 3.166 4.066 -2.460) 5.710 4.685 ( 0.678 0.653 0.078) 0.945 4.874 ( 0.501 -4.773 -6.553) 8.122 5.041 ( 2.140 -0.307 -0.277) 2.180 5.149 ( 1.384 0.163 -4.397) 4.613 5.234 ( -0.016 1.539 -3.558) 3.876 5.324 ( 1.259 -4.844 -3.853) 6.316 5.400 ( -0.057 4.967 -3.534) 6.096 5.474 ( 8.357 2.068 -5.254) 10.086 5.548 ( 3.939 -1.805 4.116) 5.976 5.750 ( 8.166 -5.372 -0.639) 9.796 6.004 ( -6.353 3.539 2.619) 7.729 6.024 ( -3.809 3.713 2.585) 5.914 6.179 ( 0.114 0.982 1.458) 1.762 6.251 ( -1.721 0.232 -1.798) 2.500 6.388 ( -3.432 -5.355 0.764) 6.407 6.549 ( -3.835 7.718 -4.404) 9.679 6.716 ( -0.587 6.979 3.206) 7.702 6.886 ( -2.252 1.343 0.037) 2.622 7.053 ( -4.307 -2.807 0.991) 5.235 7.291 ( -5.172 -5.164 0.195) 7.311 7.376 ( 1.616 -1.682 0.789) 2.462 7.471 ( -2.297 -5.981 -1.858) 6.671 7.500 ( 0.273 0.328 3.105) 3.134 7.641 ( -5.523 -1.914 -0.213) 5.850 7.751 ( -3.654 -2.935 1.097) 4.814 7.903 ( 8.106 -4.592 -5.396) 10.766 8.785 ( -8.163 5.680 6.398) 11.825 8.999 ( -1.679 0.128 4.578) 4.877 9.264 ( 3.926 -0.454 0.027) 3.952 9.462 ( 7.606 -7.135 -1.203) 10.498 9.803 ( -1.197 2.230 -2.395) 3.484 9.901 ( 0.654 -4.773 -3.556) 5.988 10.031 ( 4.157 -4.457 -2.011) 6.418 10.343 ( -14.552 -2.239 12.516) 19.324 10.505 ( -1.666 0.133 -1.266) 2.096 10.723 ( 0.261 -8.536 2.250) 8.832 10.779 ( -7.245 2.093 4.732) 8.903 10.979 ( -4.093 0.371 -0.429) 4.132 11.341 ( -0.929 5.035 2.233) 5.586 11.776 ( 3.978 2.534 -9.893) 10.960 12.065 ( -15.356 0.960 2.728) 15.626 12.268 ( -12.263 -0.426 6.544) 13.907 12.776 ( 9.607 4.090 4.202) 11.255 13.271 ( -2.091 -1.796 -7.405) 7.901 13.593 ( 16.464 9.115 -10.223) 21.416 13.806 ( 15.413 -2.408 4.567) 16.255 14.134 ( -4.911 5.778 4.544) 8.841 14.282 ( -3.048 1.295 -0.801) 3.407 14.326 ( 1.117 5.264 -0.983) 5.470 14.650 ( 1.516 5.560 2.093) 6.131 14.819 ( 2.363 2.887 -0.568) 3.774 14.898 ( 3.187 -4.610 1.830) 5.896 15.162 ( -1.374 0.117 -2.850) 3.166 15.243 ( -3.927 7.323 5.520) 9.976 15.498 ( 1.413 2.798 1.101) 3.323 15.561 ( -2.596 -2.119 -1.066) 3.517 15.820 ( 0.030 -4.236 -0.682) 4.290 16.032 ( 4.938 -0.781 -8.113) 9.530 24.663 ( 0.452 -0.859 1.350) 1.663 24.743 ( 1.052 0.103 -2.022) 2.282 24.865 ( -1.230 0.148 1.448) 1.906 24.912 ( -0.373 -0.403 -0.082) 0.555 25.180 ( -4.619 2.364 4.384) 6.792 25.415 ( -3.609 1.096 1.072) 3.921 25.512 ( 5.307 -1.563 2.486) 6.065 25.570 ( -1.811 -1.009 -0.953) 2.282 25.951 ( -1.490 6.667 3.313) 7.592 26.045 ( 3.498 -0.556 2.586) 4.386 26.556 ( -14.589 -16.772 2.486) 22.368 26.932 ( -14.225 -1.325 1.145) 14.332 27.300 ( -2.261 -6.317 1.168) 6.810 27.488 ( 1.113 -5.736 -1.675) 6.078 28.013 ( 3.865 0.826 -4.347) 5.875 29.249 ( 29.860 18.590 -13.836) 37.798 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -0.107 -6.597 7.352) 9.878 1.510 ( 7.413 -10.161 5.854) 13.873 1.641 ( 3.672 -11.494 1.610) 12.173 2.001 ( 1.389 -14.633 0.009) 14.699 2.164 ( 6.593 -13.387 -4.326) 15.537 2.321 ( 5.780 -4.805 -6.017) 9.628 2.419 ( -8.622 -6.711 4.839) 11.950 2.515 ( -5.057 -10.962 6.158) 13.552 2.631 ( -4.072 -2.466 -2.909) 5.579 2.860 ( -5.678 -6.504 2.198) 8.909 2.928 ( 3.574 -4.392 -2.361) 6.135 3.015 ( 0.475 0.358 3.006) 3.064 3.097 ( -1.421 -0.314 -1.085) 1.815 3.237 ( -0.068 1.815 0.099) 1.819 3.471 ( -4.576 -6.622 2.222) 8.350 3.560 ( -4.764 5.577 -1.707) 7.531 3.833 ( -3.023 0.050 -1.186) 3.248 3.902 ( 6.472 -6.451 -0.734) 9.168 3.989 ( 0.146 -2.785 9.165) 9.580 4.229 ( -0.035 -1.595 1.111) 1.944 4.508 ( 9.887 4.129 2.253) 10.949 4.552 ( -1.274 -2.614 -12.663) 12.993 4.646 ( -2.881 0.101 -0.903) 3.021 4.963 ( 4.861 -2.088 1.323) 5.453 5.016 ( -2.623 4.508 2.489) 5.779 5.132 ( 2.664 1.003 -2.885) 4.052 5.215 ( 7.241 1.187 -4.904) 8.825 5.322 ( -3.052 -0.835 -2.241) 3.877 5.425 ( 0.943 1.555 -0.871) 2.016 5.484 ( 0.825 -7.993 -6.035) 10.050 5.625 ( -0.180 -2.523 3.427) 4.260 5.811 ( 2.458 4.984 -2.302) 6.015 5.958 ( 1.950 -1.910 -0.514) 2.777 5.964 ( -5.904 -0.038 3.416) 6.821 6.142 ( 0.281 4.588 -0.802) 4.666 6.213 ( -2.444 0.918 2.706) 3.760 6.322 ( -4.702 5.150 2.509) 7.411 6.485 ( 2.854 1.016 2.478) 3.914 6.633 ( -2.291 -0.004 -0.486) 2.342 6.860 ( -0.579 1.862 1.082) 2.230 7.096 ( -3.813 -5.200 -0.454) 6.464 7.306 ( -7.249 -2.262 1.484) 7.738 7.407 ( 0.823 -1.655 -2.431) 3.054 7.532 ( -3.366 -4.700 -0.199) 5.785 7.594 ( -2.655 -4.282 -0.580) 5.072 7.643 ( 0.661 -5.782 1.046) 5.913 7.833 ( -2.562 -6.238 1.677) 6.949 8.030 ( 8.081 -4.121 -2.800) 9.493 8.684 ( -7.638 1.900 6.023) 9.911 9.013 ( -1.469 -0.532 4.611) 4.868 9.327 ( 4.242 -2.529 -0.320) 4.949 9.595 ( 3.586 -3.141 -0.694) 4.817 9.768 ( 0.717 0.057 0.700) 1.004 9.900 ( -4.531 -1.235 -7.947) 9.231 10.214 ( 8.208 -7.595 -4.191) 11.942 10.354 ( -0.904 -1.843 8.270) 8.521 10.507 ( -1.729 -2.144 0.016) 2.755 10.690 ( -4.318 3.836 3.367) 6.686 10.904 ( 6.164 1.688 1.398) 6.542 10.944 ( -6.230 -10.103 -2.342) 12.098 11.259 ( 2.397 6.193 3.178) 7.362 11.637 ( -1.329 7.613 -10.888) 13.352 11.928 ( -18.169 2.352 8.272) 20.102 12.173 ( -10.902 2.032 0.343) 11.095 12.795 ( 9.401 3.414 1.624) 10.132 13.259 ( 0.275 -0.780 -4.952) 5.020 13.479 ( 12.208 10.824 -7.054) 17.775 13.861 ( 3.409 6.439 -1.164) 7.378 14.124 ( 6.876 -1.316 6.313) 9.427 14.216 ( -1.098 5.207 -1.430) 5.510 14.262 ( -2.849 -0.138 3.773) 4.730 14.582 ( -0.451 4.771 3.464) 5.913 14.751 ( -0.709 4.686 1.232) 4.897 14.914 ( -6.149 3.066 1.835) 7.112 15.083 ( 5.653 5.558 -1.158) 8.011 15.232 ( 4.187 -3.359 0.224) 5.372 15.516 ( 0.098 -1.673 1.569) 2.295 15.569 ( -1.883 -0.659 -2.984) 3.589 15.879 ( -1.415 -3.554 0.642) 3.879 16.006 ( 0.808 1.559 -5.936) 6.191 24.694 ( 0.496 -1.398 0.904) 1.737 24.738 ( 0.810 0.306 -1.329) 1.587 24.868 ( -0.782 -0.619 1.413) 1.729 24.907 ( -0.616 0.404 -0.598) 0.949 25.131 ( -2.585 2.412 3.823) 5.207 25.378 ( -2.794 0.269 0.688) 2.890 25.561 ( 0.653 -0.989 -2.166) 2.469 25.585 ( 0.921 -0.458 1.569) 1.876 25.903 ( 1.348 -0.089 1.432) 1.968 26.095 ( 3.838 2.690 5.850) 7.496 26.674 ( -8.698 -8.214 0.662) 11.981 26.854 ( -13.548 -4.927 -4.133) 14.997 27.446 ( -4.149 -11.797 -1.026) 12.547 27.593 ( -2.038 -7.004 -3.456) 8.072 28.055 ( 6.769 -0.795 2.516) 7.265 29.019 ( 20.796 23.741 -6.768) 32.279 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.411 1.627 6.054) 6.717 1.706 ( 1.052 -1.066 -1.917) 2.432 1.793 ( -1.020 -9.437 2.147) 9.731 2.194 ( 4.784 -5.371 1.741) 7.400 2.398 ( 2.881 -4.938 -3.804) 6.867 2.458 ( -0.263 -8.292 -4.674) 9.522 2.479 ( -3.832 -4.686 4.978) 7.837 2.596 ( 0.886 -1.069 5.118) 5.303 2.648 ( -3.637 -3.695 -7.878) 9.430 2.893 ( -4.845 -1.386 -2.216) 5.505 2.985 ( -1.425 -3.145 -0.419) 3.478 3.023 ( -0.459 -1.844 -0.412) 1.945 3.119 ( -0.023 -3.783 8.056) 8.900 3.271 ( 2.845 0.308 0.887) 2.996 3.397 ( -6.585 -0.419 4.760) 8.136 3.570 ( -8.111 -3.574 -6.483) 10.981 3.844 ( 1.771 -1.222 -3.257) 3.904 3.883 ( 2.738 1.492 1.819) 3.610 4.161 ( 2.837 -0.853 3.340) 4.464 4.258 ( 4.392 0.560 -0.349) 4.441 4.471 ( 3.408 0.682 -5.208) 6.261 4.604 ( -0.501 2.690 -3.892) 4.758 4.671 ( 5.543 -0.017 7.643) 9.442 4.911 ( 0.389 2.139 -4.252) 4.775 5.053 ( 3.622 -2.164 1.604) 4.514 5.148 ( 4.039 -2.796 1.934) 5.279 5.243 ( 0.749 -1.417 -6.469) 6.664 5.307 ( -2.367 -1.620 -3.234) 4.323 5.353 ( -1.587 1.879 -3.458) 4.243 5.596 ( 0.362 -0.529 3.338) 3.399 5.635 ( -6.152 -2.582 -0.685) 6.707 5.778 ( 0.857 -2.345 1.449) 2.887 5.932 ( -5.053 0.365 5.369) 7.382 5.998 ( 0.139 -0.032 -3.145) 3.149 6.093 ( 5.448 0.117 -2.638) 6.054 6.206 ( -3.588 0.728 3.280) 4.916 6.278 ( -0.529 -2.196 6.268) 6.663 6.523 ( 4.532 0.172 1.331) 4.726 6.644 ( -0.431 -1.919 -0.250) 1.983 6.796 ( -3.032 4.005 0.953) 5.112 7.157 ( -1.713 -4.950 -1.071) 5.346 7.284 ( -7.085 -1.189 1.797) 7.406 7.420 ( 0.797 -0.244 -2.971) 3.086 7.567 ( -3.066 -2.067 -0.391) 3.719 7.640 ( 0.585 -3.305 -0.073) 3.357 7.770 ( 1.955 -4.393 -1.883) 5.164 7.926 ( -1.465 -5.618 1.264) 5.942 8.140 ( 5.616 -2.239 -1.263) 6.177 8.649 ( -5.971 -0.878 6.920) 9.183 9.031 ( -1.624 0.001 3.597) 3.947 9.406 ( 3.164 -2.217 0.029) 3.864 9.648 ( -0.585 -3.252 -2.986) 4.453 9.768 ( -7.522 1.351 2.767) 8.127 9.879 ( 6.508 -2.370 -3.457) 7.741 10.292 ( -1.673 -2.219 2.867) 3.993 10.431 ( 4.772 3.619 -1.664) 6.216 10.574 ( 8.451 -1.073 -2.717) 8.942 10.666 ( -1.653 -5.380 3.233) 6.490 10.805 ( -0.818 6.533 -2.909) 7.198 11.161 ( 2.197 -12.734 -3.184) 13.308 11.187 ( 2.999 7.916 5.736) 10.225 11.424 ( -2.440 8.146 -7.154) 11.113 11.761 ( -15.456 1.747 5.334) 16.444 12.033 ( -7.048 3.359 -3.534) 8.570 12.843 ( 4.814 -0.081 3.592) 6.007 13.231 ( 4.497 3.060 -6.908) 8.793 13.383 ( 5.588 5.682 -0.985) 8.030 13.754 ( -0.622 4.735 -2.020) 5.186 14.109 ( 1.262 4.402 -2.799) 5.367 14.242 ( -2.061 -3.297 3.963) 5.551 14.277 ( 0.146 -0.189 6.000) 6.005 14.494 ( 0.812 5.691 3.063) 6.514 14.686 ( -3.766 0.292 0.971) 3.900 14.816 ( -1.625 2.969 -0.709) 3.458 15.054 ( 3.834 3.848 1.691) 5.689 15.335 ( 4.945 -1.273 1.576) 5.344 15.514 ( -1.170 0.611 -2.246) 2.605 15.573 ( -0.008 -3.502 -2.307) 4.193 15.888 ( -0.821 1.607 -4.270) 4.636 15.993 ( -1.393 -2.836 1.828) 3.650 24.729 ( 0.455 -1.546 0.108) 1.615 24.731 ( 0.332 0.375 -0.196) 0.538 24.875 ( -0.349 1.240 0.085) 1.291 24.892 ( -0.489 -0.904 0.006) 1.028 25.085 ( -2.168 2.246 2.233) 3.838 25.379 ( -0.805 -1.308 2.428) 2.873 25.549 ( 1.178 2.283 -2.260) 3.422 25.598 ( -1.681 -1.903 -0.452) 2.579 25.952 ( 2.653 -0.797 -2.371) 3.647 26.082 ( 1.545 2.800 8.040) 8.653 26.754 ( -3.177 -5.828 -1.198) 6.745 26.845 ( -6.095 -5.269 -0.775) 8.094 27.572 ( -3.601 -6.204 -5.406) 8.983 27.693 ( -4.313 -10.269 -2.569) 11.431 28.149 ( 3.257 -1.403 5.034) 6.158 28.716 ( 13.270 22.645 -2.939) 26.411 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -6.493 7.599 4.915) 11.139 1.648 ( -1.196 4.457 -1.111) 4.747 1.935 ( -2.742 -4.182 8.376) 9.755 2.290 ( 3.482 3.485 -2.257) 5.419 2.314 ( 3.629 10.931 -5.092) 12.593 2.421 ( 1.218 5.812 -1.458) 6.115 2.514 ( -3.927 -1.083 -3.132) 5.138 2.594 ( -1.715 -1.710 0.216) 2.431 2.804 ( -1.238 -2.255 2.855) 3.843 2.864 ( -1.127 -9.882 -3.110) 10.421 3.018 ( -1.722 0.575 -0.456) 1.872 3.078 ( 1.797 -1.873 5.958) 6.499 3.207 ( 0.793 2.710 2.968) 4.097 3.331 ( 6.256 -5.831 4.042) 9.460 3.461 ( -5.363 -8.602 1.588) 10.260 3.536 ( -5.841 -5.170 -4.775) 9.146 3.765 ( -1.710 3.982 -0.564) 4.370 3.933 ( 4.009 1.700 -1.638) 4.652 4.178 ( -2.367 -1.961 -4.918) 5.800 4.256 ( 7.717 7.090 5.800) 11.977 4.455 ( -1.364 8.369 -6.955) 10.967 4.486 ( 1.569 0.347 0.031) 1.607 4.594 ( -0.279 9.909 4.512) 10.892 4.917 ( 5.252 0.600 -4.475) 6.926 5.089 ( 1.766 0.528 0.330) 1.873 5.201 ( -2.327 -1.180 -4.360) 5.081 5.304 ( 3.715 -4.194 -0.986) 5.689 5.334 ( 2.667 -2.028 -4.187) 5.363 5.351 ( -4.248 -5.025 2.424) 7.012 5.546 ( -0.886 -0.316 0.827) 1.252 5.717 ( -0.039 -4.039 1.652) 4.364 5.811 ( -4.368 -1.059 0.629) 4.539 5.894 ( -6.750 2.913 8.306) 11.092 6.009 ( 4.032 -1.399 -2.143) 4.776 6.124 ( 2.294 -1.876 -6.394) 7.048 6.235 ( 0.845 -4.540 1.998) 5.032 6.399 ( -0.251 -6.614 6.486) 9.267 6.536 ( 2.384 1.981 -1.327) 3.372 6.644 ( -2.499 3.070 2.290) 4.573 6.726 ( -0.430 -0.262 -2.086) 2.146 7.225 ( -0.782 -0.843 0.218) 1.170 7.261 ( -1.832 -2.576 1.500) 3.499 7.387 ( -0.000 2.648 -1.090) 2.863 7.554 ( -1.315 1.569 1.543) 2.564 7.692 ( 1.537 -0.794 -0.867) 1.935 7.810 ( 2.567 0.119 -2.118) 3.330 8.007 ( 0.413 -2.736 -0.295) 2.783 8.172 ( 1.722 1.427 -1.526) 2.708 8.689 ( -3.160 -3.016 8.594) 9.640 9.010 ( -2.243 2.250 2.687) 4.161 9.438 ( 0.396 0.662 -0.432) 0.884 9.625 ( -7.481 0.060 -5.200) 9.111 9.738 ( -1.165 -1.729 4.911) 5.335 9.985 ( 6.621 -2.055 1.022) 7.007 10.334 ( -5.389 -1.191 4.491) 7.115 10.392 ( 10.981 2.101 -7.023) 13.203 10.551 ( 7.971 7.247 0.681) 10.795 10.675 ( -3.657 3.445 -2.358) 5.550 10.811 ( -0.929 -6.289 -1.137) 6.458 11.045 ( -2.201 10.443 5.970) 12.229 11.224 ( -3.725 6.434 -7.993) 10.916 11.373 ( -1.783 -10.888 -5.133) 12.168 11.787 ( -2.290 -10.278 5.151) 11.722 11.963 ( 4.833 -0.911 -0.538) 4.947 12.895 ( -1.743 -1.780 3.886) 4.616 13.174 ( 6.121 4.469 -4.658) 8.896 13.332 ( 1.138 3.333 -1.382) 3.783 13.666 ( -2.942 2.445 -1.819) 4.236 14.046 ( 0.413 2.231 -1.392) 2.662 14.210 ( -7.932 2.475 1.278) 8.407 14.336 ( -0.236 -5.372 2.136) 5.786 14.503 ( 2.765 -0.614 5.890) 6.536 14.703 ( 1.323 -3.387 -0.499) 3.670 14.764 ( 0.211 2.451 -0.389) 2.490 15.018 ( -1.102 2.659 3.593) 4.604 15.318 ( 1.041 3.810 -2.844) 4.867 15.538 ( 0.794 -1.996 1.524) 2.634 15.635 ( 1.293 -4.053 -4.415) 6.131 15.821 ( 0.490 3.044 -1.060) 3.261 16.049 ( -1.444 -3.446 0.296) 3.748 24.718 ( -0.161 0.984 0.285) 1.037 24.762 ( 0.337 -1.482 -0.845) 1.739 24.841 ( -0.242 1.537 0.154) 1.564 24.911 ( 0.151 -0.876 0.153) 0.902 25.043 ( -2.225 1.468 2.452) 3.622 25.432 ( 0.931 -2.510 3.460) 4.375 25.504 ( -0.080 1.262 -3.048) 3.300 25.611 ( -0.342 -0.393 0.121) 0.535 25.916 ( -0.194 2.415 -3.080) 3.919 26.135 ( 0.958 -1.374 5.108) 5.375 26.801 ( 1.210 -2.889 -2.699) 4.135 26.931 ( 0.870 -4.238 5.003) 6.614 27.584 ( -0.850 -1.944 -5.901) 6.271 27.828 ( -3.669 -8.934 -2.571) 9.994 28.157 ( -0.983 5.064 1.549) 5.386 28.448 ( 3.934 13.174 0.013) 13.749 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -7.150 11.278 7.786) 15.457 1.531 ( 1.065 12.379 14.101) 18.794 1.921 ( -2.814 14.189 -4.054) 15.022 2.045 ( -2.866 2.018 -1.013) 3.649 2.161 ( 2.539 17.256 1.307) 17.491 2.313 ( 6.226 11.646 2.737) 13.487 2.454 ( -1.049 2.958 -5.802) 6.596 2.630 ( -2.936 -3.190 -0.573) 4.373 2.726 ( 0.703 3.833 -0.944) 4.010 2.970 ( 0.977 6.416 2.521) 6.962 3.002 ( -1.241 -0.352 4.531) 4.711 3.136 ( -0.110 3.662 2.001) 4.175 3.250 ( 1.543 -6.743 -0.691) 6.952 3.397 ( 1.371 -3.152 3.754) 5.090 3.545 ( -4.392 0.270 -2.901) 5.271 3.633 ( 1.299 -8.139 -4.234) 9.266 3.791 ( -0.469 -7.209 5.659) 9.177 3.880 ( -1.485 3.818 -3.517) 5.400 4.098 ( -5.241 3.194 -6.724) 9.104 4.175 ( 4.729 7.685 5.801) 10.727 4.289 ( -2.309 3.721 -7.871) 9.008 4.442 ( 5.475 5.756 0.275) 7.949 4.539 ( 4.578 2.571 8.265) 9.791 4.934 ( 4.212 -1.334 -3.629) 5.717 5.081 ( -0.179 1.550 2.579) 3.015 5.213 ( -0.684 -2.617 -2.900) 3.966 5.323 ( 1.123 -1.305 -10.279) 10.423 5.339 ( -1.185 1.862 5.427) 5.859 5.436 ( 1.290 -5.191 -4.901) 7.255 5.585 ( -2.906 -0.584 -1.190) 3.194 5.735 ( -5.826 1.687 -2.480) 6.553 5.779 ( 1.865 3.959 2.762) 5.175 5.815 ( -3.874 -0.383 4.468) 5.926 6.061 ( 7.046 -0.173 -1.085) 7.131 6.170 ( 0.171 -3.757 -4.535) 5.891 6.339 ( -0.733 -5.234 -0.992) 5.377 6.485 ( -3.599 0.603 -1.703) 4.027 6.555 ( -1.289 -7.736 0.671) 7.871 6.594 ( -1.854 0.134 2.997) 3.527 6.720 ( 1.079 -0.260 -3.750) 3.910 7.192 ( 0.314 4.327 5.553) 7.047 7.282 ( 2.236 3.431 0.956) 4.206 7.391 ( 0.884 -2.833 3.097) 4.290 7.510 ( -0.603 3.759 3.206) 4.978 7.672 ( 2.207 3.524 -1.982) 4.606 7.792 ( 2.440 4.223 0.084) 4.878 8.015 ( 1.134 1.987 -1.549) 2.763 8.109 ( -0.630 4.042 -4.197) 5.860 8.771 ( -4.120 -3.593 9.559) 11.012 8.958 ( -1.667 2.402 2.179) 3.646 9.378 ( -3.560 3.676 -1.500) 5.332 9.546 ( -2.986 1.572 -1.400) 3.653 9.784 ( 0.452 -1.120 1.103) 1.636 10.042 ( 3.569 1.288 -0.700) 3.858 10.284 ( -4.402 4.746 6.134) 8.918 10.420 ( 14.067 1.107 -7.898) 16.170 10.565 ( -0.010 1.155 3.127) 3.334 10.611 ( 2.887 -1.603 0.918) 3.427 10.788 ( -7.313 3.133 -0.991) 8.017 10.944 ( 1.082 1.748 1.489) 2.538 11.090 ( -6.589 -0.819 -6.738) 9.460 11.471 ( -0.341 -5.922 -0.800) 5.986 12.015 ( 1.580 -11.539 -0.523) 11.659 12.216 ( 14.214 -13.799 6.988) 21.007 12.913 ( -8.834 -3.909 0.498) 9.673 13.091 ( 2.439 8.884 0.838) 9.251 13.307 ( 5.832 -0.977 -5.266) 7.918 13.593 ( -6.042 0.811 -1.186) 6.211 14.017 ( -1.432 0.318 0.126) 1.473 14.135 ( -4.963 -1.328 -0.325) 5.148 14.462 ( 3.438 -4.773 0.517) 5.905 14.565 ( -2.533 -3.701 5.325) 6.962 14.694 ( -1.611 3.916 -0.656) 4.285 14.816 ( 2.229 -5.531 0.351) 5.974 14.999 ( -3.734 -0.629 4.824) 6.132 15.251 ( 1.625 2.316 -3.799) 4.736 15.566 ( -0.647 -0.209 0.497) 0.843 15.655 ( 1.342 0.181 -4.663) 4.856 15.797 ( 1.896 1.967 2.663) 3.815 16.087 ( -0.292 -2.575 -3.848) 4.639 24.695 ( -0.390 1.610 0.697) 1.797 24.769 ( 0.063 -0.138 -2.216) 2.221 24.832 ( 0.066 -0.116 1.496) 1.502 24.923 ( 0.393 -0.170 -0.088) 0.437 25.029 ( -2.238 -0.265 4.492) 5.025 25.472 ( 0.889 0.830 -1.927) 2.279 25.504 ( -0.807 -2.817 1.711) 3.394 25.613 ( 2.175 1.220 2.359) 3.433 25.858 ( -1.095 1.916 -3.194) 3.882 26.158 ( -3.976 -1.429 -0.748) 4.291 26.875 ( 5.731 -1.398 3.652) 6.938 27.038 ( 3.089 -3.213 4.206) 6.128 27.610 ( 8.476 -1.497 -1.951) 8.825 27.848 ( 2.961 7.126 -5.536) 9.497 28.038 ( -8.684 -0.654 0.002) 8.709 28.288 ( -6.717 5.290 -2.000) 8.781 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -5.587 12.358 15.129) 20.318 1.320 ( -0.482 23.927 14.924) 28.204 1.582 ( 6.781 19.433 10.847) 23.265 1.807 ( 4.150 24.816 7.703) 26.314 1.952 ( -6.410 7.277 -4.498) 10.690 2.196 ( 10.896 8.826 1.684) 14.123 2.330 ( -1.073 5.367 -7.629) 9.389 2.588 ( -4.198 2.925 1.209) 5.257 2.726 ( 4.270 7.661 2.269) 9.060 2.775 ( -3.332 10.980 4.027) 12.161 2.966 ( 1.350 9.739 1.411) 9.932 3.033 ( -3.459 3.333 2.968) 5.647 3.249 ( -5.935 -3.983 -6.267) 9.506 3.441 ( -6.260 2.047 -5.663) 8.686 3.556 ( 2.962 2.022 5.648) 6.690 3.745 ( 1.273 -6.154 -6.905) 9.336 3.793 ( 3.873 -0.300 -0.437) 3.909 3.827 ( -10.478 -2.390 -4.651) 11.711 4.115 ( -1.155 -8.243 5.263) 9.848 4.191 ( 2.822 2.175 -1.720) 3.956 4.218 ( 5.824 -2.141 0.156) 6.207 4.410 ( 7.386 4.712 0.944) 8.812 4.583 ( 1.237 1.466 8.946) 9.149 5.013 ( 5.266 -3.138 -2.882) 6.774 5.067 ( -0.865 -1.608 0.513) 1.897 5.223 ( -0.054 -0.501 -6.222) 6.242 5.273 ( 0.469 3.212 -3.341) 4.658 5.345 ( -3.352 -1.880 1.998) 4.331 5.448 ( -2.805 5.569 -9.087) 11.021 5.486 ( 1.795 -0.766 -4.947) 5.318 5.600 ( -4.184 6.312 -1.854) 7.796 5.713 ( 2.980 5.460 -1.308) 6.356 5.892 ( 1.220 -4.895 2.262) 5.529 6.126 ( 4.238 -1.598 -0.443) 4.551 6.189 ( -1.604 -1.201 -1.846) 2.724 6.351 ( -1.687 -0.537 -1.412) 2.265 6.477 ( -9.056 -0.459 -3.619) 9.763 6.569 ( -4.507 -8.976 -5.549) 11.475 6.650 ( 0.670 -2.187 -2.483) 3.376 6.811 ( 1.174 -6.229 3.902) 7.444 7.122 ( 0.375 5.701 6.833) 8.907 7.281 ( 5.868 2.138 3.665) 7.241 7.414 ( 1.175 5.053 3.189) 6.090 7.471 ( -1.116 1.268 3.320) 3.725 7.621 ( 3.154 2.607 0.263) 4.100 7.689 ( -0.554 8.164 0.537) 8.200 7.932 ( -0.199 6.394 -2.597) 6.904 8.009 ( -0.977 2.956 -5.309) 6.154 8.822 ( -9.857 -3.044 9.673) 14.142 8.942 ( 0.388 -0.092 2.367) 2.400 9.269 ( -1.903 3.987 -0.904) 4.509 9.484 ( 0.968 3.638 -3.342) 5.034 9.800 ( 1.952 -0.108 -1.587) 2.518 9.990 ( 2.252 4.644 -5.046) 7.218 10.162 ( -6.488 6.511 5.828) 10.884 10.489 ( 9.598 1.026 -4.413) 10.614 10.619 ( -11.894 -2.622 0.739) 12.202 10.664 ( 3.913 -1.185 1.852) 4.488 10.752 ( 10.614 -3.644 11.954) 16.396 10.953 ( -2.574 -2.929 -0.471) 3.928 11.067 ( -4.314 -4.542 -3.368) 7.112 11.618 ( 8.111 -6.101 0.296) 10.154 12.194 ( -2.354 -7.791 1.978) 8.376 12.574 ( 0.769 -7.836 5.760) 9.755 12.857 ( -18.501 -2.330 -2.583) 18.826 13.020 ( 15.970 -0.267 -5.248) 16.812 13.392 ( 12.480 -0.610 -1.232) 12.556 13.516 ( -8.948 0.315 -0.971) 9.006 14.028 ( -2.042 -4.016 0.646) 4.552 14.183 ( -1.786 -6.085 1.878) 6.613 14.506 ( -4.676 -0.370 -0.758) 4.751 14.597 ( -0.376 3.667 1.392) 3.940 14.684 ( 0.355 -7.055 0.607) 7.090 14.900 ( 0.423 -0.578 -0.464) 0.853 15.034 ( -3.843 -5.636 6.570) 9.471 15.228 ( -0.178 -0.172 -2.839) 2.850 15.538 ( -1.760 2.293 0.770) 2.991 15.639 ( 2.052 0.762 -1.997) 2.963 15.775 ( 2.318 3.854 2.732) 5.263 16.090 ( 2.568 -0.032 -8.992) 9.352 24.666 ( -0.311 1.677 0.971) 1.962 24.758 ( 0.262 0.083 -2.080) 2.098 24.849 ( -0.242 -0.660 1.693) 1.834 24.924 ( 0.279 0.368 -0.095) 0.472 25.072 ( -2.403 -3.514 7.665) 8.768 25.452 ( 0.308 0.881 -2.567) 2.731 25.522 ( -2.098 0.390 0.753) 2.263 25.647 ( 4.400 1.045 5.436) 7.071 25.792 ( -1.947 0.880 -3.392) 4.009 26.130 ( -7.135 -2.184 -2.844) 7.985 26.944 ( 2.245 0.771 5.259) 5.770 27.123 ( -4.542 -3.379 2.318) 6.117 27.651 ( 2.147 11.637 -4.543) 12.676 27.790 ( -5.391 3.700 4.155) 7.747 27.933 ( 17.535 -1.414 -9.396) 19.944 28.182 ( -0.965 -2.337 -1.246) 2.818 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -2.660 0.000 -6.377) 6.909 1.214 ( 1.123 -0.000 7.642) 7.724 1.403 ( 19.663 -0.000 12.284) 23.185 1.524 ( 11.991 -0.000 8.181) 14.516 1.881 ( 8.717 -0.000 -11.509) 14.437 2.021 ( -13.239 0.000 5.246) 14.240 2.192 ( -6.139 0.000 -9.346) 11.182 2.322 ( -1.305 0.000 6.903) 7.025 2.578 ( 2.582 -0.000 -9.282) 9.634 2.776 ( 4.162 -0.000 6.727) 7.910 2.781 ( -0.706 0.000 11.666) 11.687 3.050 ( 3.133 -0.000 0.363) 3.154 3.085 ( -2.796 0.000 -6.709) 7.269 3.265 ( 6.118 -0.000 11.095) 12.670 3.468 ( -0.196 0.000 -8.314) 8.316 3.595 ( -1.081 0.000 13.880) 13.922 3.603 ( -11.393 0.000 -3.928) 12.051 3.881 ( -3.896 0.000 1.411) 4.144 4.006 ( -8.029 0.000 -3.676) 8.831 4.200 ( 0.629 -0.000 2.786) 2.856 4.461 ( -2.240 0.000 -7.715) 8.034 4.660 ( -0.037 0.000 -4.732) 4.732 4.745 ( 3.474 -0.000 -3.926) 5.242 4.825 ( 3.793 -0.000 8.334) 9.156 5.060 ( 4.908 -0.000 0.406) 4.925 5.133 ( 0.514 -0.000 -4.896) 4.923 5.221 ( 2.123 -0.000 -10.755) 10.963 5.273 ( 1.912 -0.000 -1.189) 2.252 5.436 ( 0.683 -0.000 -4.764) 4.813 5.488 ( 0.440 -0.000 -0.294) 0.529 5.708 ( 2.511 -0.000 4.674) 5.306 5.718 ( 13.989 -0.000 1.187) 14.040 5.980 ( -5.778 0.000 4.708) 7.453 6.125 ( -2.241 0.000 6.520) 6.894 6.203 ( -2.092 0.000 0.284) 2.111 6.240 ( -0.223 0.000 -2.684) 2.693 6.262 ( 2.528 -0.000 1.736) 3.066 6.557 ( -6.911 0.000 -4.616) 8.311 6.810 ( -10.581 0.000 -2.169) 10.801 6.817 ( 1.125 -0.000 1.498) 1.873 7.028 ( -1.390 0.000 -0.171) 1.400 7.192 ( -2.505 0.000 -1.160) 2.761 7.371 ( -1.668 0.000 5.807) 6.042 7.379 ( -4.828 0.000 -2.163) 5.290 7.551 ( 2.198 -0.000 0.477) 2.249 7.552 ( -9.803 0.000 5.664) 11.322 7.696 ( -3.114 0.000 -1.281) 3.367 7.910 ( 13.441 -0.000 -8.562) 15.936 8.804 ( -8.858 0.000 2.176) 9.122 9.003 ( -2.731 0.000 4.539) 5.297 9.308 ( 3.638 -0.000 -2.322) 4.316 9.435 ( 6.711 -0.000 5.035) 8.390 9.813 ( -0.273 0.000 -2.110) 2.128 9.843 ( -1.904 0.000 -1.906) 2.694 9.997 ( 3.991 -0.000 -3.108) 5.059 10.249 ( -12.985 0.000 14.247) 19.277 10.487 ( -1.532 0.000 -2.149) 2.640 10.628 ( -0.188 0.000 0.125) 0.226 10.789 ( -4.642 0.000 8.502) 9.687 10.968 ( -1.002 0.000 -0.156) 1.014 11.313 ( -9.488 0.000 -2.119) 9.722 11.781 ( 3.311 -0.000 -11.142) 11.623 12.009 ( -7.825 0.000 4.062) 8.816 12.199 ( -11.149 0.000 5.376) 12.377 12.948 ( 10.060 -0.000 8.007) 12.857 13.189 ( 0.352 -0.000 -11.069) 11.074 13.737 ( 13.149 -0.000 -14.683) 19.710 13.943 ( 10.777 -0.000 13.546) 17.310 14.157 ( -5.120 0.000 3.971) 6.480 14.244 ( -2.044 0.000 -3.373) 3.944 14.424 ( 3.074 -0.000 -0.921) 3.209 14.789 ( -2.702 0.000 3.988) 4.817 14.822 ( 8.136 -0.000 0.340) 8.143 14.888 ( 4.187 -0.000 -0.816) 4.266 15.120 ( -4.306 0.000 -4.021) 5.892 15.294 ( -1.907 0.000 6.736) 7.000 15.474 ( -2.681 0.000 -1.494) 3.069 15.672 ( 2.140 -0.000 0.311) 2.162 15.691 ( -2.155 0.000 -1.790) 2.801 16.030 ( 3.572 -0.000 -6.336) 7.274 24.667 ( 0.408 -0.000 1.488) 1.543 24.743 ( 1.414 -0.000 -2.042) 2.484 24.861 ( -1.521 0.000 1.159) 1.913 24.904 ( -0.451 0.000 -0.034) 0.452 25.168 ( -3.937 0.000 0.925) 4.044 25.395 ( -5.627 0.000 2.478) 6.148 25.558 ( 3.014 -0.000 0.974) 3.168 25.585 ( 3.831 -0.000 2.996) 4.863 26.003 ( 0.031 -0.000 -0.983) 0.984 26.132 ( 3.385 -0.000 0.863) 3.493 26.256 ( -10.787 0.000 11.080) 15.464 26.777 ( -18.288 0.000 -4.060) 18.733 27.243 ( -1.987 0.000 1.726) 2.632 27.444 ( 2.177 -0.000 -2.202) 3.097 28.055 ( 7.429 -0.000 -0.110) 7.430 29.552 ( 21.225 -0.000 -16.280) 26.749 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -1.798 -10.795 -7.301) 13.155 1.499 ( 0.954 -14.984 9.048) 17.530 1.634 ( 17.495 -0.865 6.236) 18.593 1.723 ( 6.319 -10.723 -0.597) 12.460 1.992 ( 6.107 -8.791 -3.532) 11.271 2.090 ( -10.447 -8.867 -3.538) 14.152 2.158 ( -6.055 -14.003 -7.499) 17.000 2.377 ( -4.759 -4.861 11.378) 13.257 2.612 ( 7.271 -0.570 -5.215) 8.967 2.763 ( -5.598 -1.170 -0.631) 5.753 2.881 ( 2.590 -3.685 6.562) 7.959 3.032 ( 0.374 0.629 -1.569) 1.731 3.092 ( 0.488 -0.034 1.308) 1.397 3.302 ( -4.955 6.717 -3.039) 8.883 3.350 ( -1.465 -2.837 3.942) 5.073 3.612 ( -5.176 -2.288 -0.045) 5.659 3.716 ( -5.137 -4.855 2.731) 7.577 3.883 ( 3.696 0.659 -0.941) 3.870 3.954 ( 2.194 -4.964 8.263) 9.886 4.204 ( -3.671 0.581 -0.707) 3.784 4.407 ( 0.902 -3.421 -8.945) 9.619 4.624 ( -0.594 0.503 -4.269) 4.339 4.704 ( 6.293 5.618 -1.880) 8.643 4.939 ( -0.040 -4.989 1.196) 5.131 5.063 ( -0.756 2.794 -0.178) 2.900 5.157 ( 3.571 -1.503 0.704) 3.938 5.228 ( 5.556 -2.136 -2.414) 6.424 5.311 ( 1.179 -4.298 -7.387) 8.628 5.365 ( 1.070 5.339 -0.451) 5.464 5.460 ( -2.717 2.097 -2.682) 4.355 5.693 ( 3.003 4.059 7.637) 9.155 5.868 ( 7.468 -0.786 -4.113) 8.561 5.954 ( -2.686 0.485 6.700) 7.234 6.027 ( 0.196 6.556 1.981) 6.851 6.188 ( -1.435 1.583 3.497) 4.099 6.266 ( 0.470 2.909 -2.239) 3.701 6.312 ( -2.987 -2.305 2.732) 4.658 6.460 ( -4.538 -1.298 0.857) 4.797 6.707 ( -2.954 5.774 -0.686) 6.522 6.813 ( -3.998 -3.192 -0.890) 5.193 7.019 ( 0.360 -1.538 -1.075) 1.911 7.198 ( -4.159 -2.515 -1.883) 5.212 7.377 ( -3.195 -3.752 0.823) 4.996 7.403 ( -5.681 -2.703 1.472) 6.462 7.509 ( -3.523 -2.687 3.881) 5.890 7.579 ( 0.935 -1.522 0.469) 1.847 7.722 ( -1.848 -4.838 1.461) 5.381 8.020 ( 11.927 -3.485 -6.527) 14.035 8.688 ( -8.804 3.672 2.507) 9.863 9.006 ( -3.182 -0.631 4.640) 5.661 9.315 ( 1.621 -0.833 -1.053) 2.105 9.564 ( 4.162 -4.145 -2.551) 6.404 9.797 ( 1.936 0.696 2.774) 3.453 9.829 ( -1.528 -0.725 -3.990) 4.333 10.111 ( 7.414 -8.605 -4.271) 12.135 10.299 ( -5.723 -6.034 11.270) 14.007 10.473 ( -0.149 -0.703 -0.861) 1.122 10.687 ( -3.237 -6.690 -0.653) 7.461 10.762 ( -3.132 3.398 4.707) 6.596 10.971 ( 1.001 -0.747 2.071) 2.418 11.233 ( -9.920 -2.255 -2.500) 10.476 11.695 ( 0.608 5.364 -11.083) 12.328 11.926 ( -7.418 5.199 6.361) 11.069 12.124 ( -9.712 1.132 0.832) 9.813 12.992 ( 10.227 5.949 2.292) 12.051 13.197 ( 1.804 -3.456 -5.280) 6.563 13.704 ( 10.820 7.189 -10.037) 16.416 13.978 ( -3.725 5.344 1.704) 6.733 14.143 ( -2.060 -0.970 3.967) 4.574 14.282 ( 8.551 1.042 1.569) 8.756 14.363 ( 0.570 6.110 5.289) 8.101 14.700 ( -1.129 5.766 3.047) 6.619 14.847 ( 1.346 3.869 -0.725) 4.160 14.910 ( -4.344 2.488 -0.217) 5.011 15.115 ( 5.183 -3.612 -5.902) 8.645 15.280 ( 1.955 2.965 4.926) 6.073 15.503 ( -1.313 -3.505 -0.100) 3.745 15.562 ( 0.882 4.160 2.411) 4.888 15.784 ( -2.808 -5.025 -0.684) 5.797 16.009 ( 1.248 1.224 -5.452) 5.725 24.683 ( 0.223 -0.711 1.156) 1.375 24.745 ( 1.421 0.176 -1.604) 2.150 24.855 ( -1.407 -0.280 1.095) 1.805 24.902 ( -0.470 -0.164 -0.456) 0.675 25.141 ( -2.789 0.269 0.141) 2.806 25.363 ( -4.227 0.217 3.461) 5.468 25.539 ( -0.798 1.475 -0.751) 1.838 25.650 ( 6.105 0.231 2.168) 6.482 25.939 ( 0.015 3.970 -1.590) 4.276 26.174 ( 2.330 -1.274 8.476) 8.882 26.411 ( -6.302 -13.115 2.698) 14.799 26.615 ( -15.244 -3.357 -7.533) 17.332 27.275 ( -2.207 -4.795 1.299) 5.436 27.477 ( 0.569 -3.329 -3.710) 5.017 28.133 ( 7.087 0.251 5.841) 9.188 29.486 ( 16.067 15.075 -12.003) 25.090 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.261 -14.308 3.535) 14.741 1.620 ( -8.895 -1.816 0.371) 9.086 1.774 ( 10.900 -0.572 0.166) 10.917 2.031 ( 6.722 -15.194 -4.095) 17.112 2.153 ( -5.319 -12.418 -5.426) 14.558 2.228 ( 0.248 -12.353 -2.166) 12.544 2.359 ( -1.235 -10.269 0.279) 10.347 2.517 ( -4.398 -5.821 8.088) 10.893 2.625 ( 0.832 -3.243 -2.224) 4.019 2.806 ( -0.558 -4.321 1.381) 4.571 2.950 ( 1.916 1.333 -2.475) 3.402 3.008 ( -2.153 1.968 -4.058) 4.997 3.122 ( 0.094 -2.822 7.370) 7.892 3.207 ( -2.541 -4.350 -0.504) 5.063 3.403 ( -5.059 -3.571 0.675) 6.229 3.488 ( -3.897 8.605 4.250) 10.358 3.820 ( -1.748 -1.487 -7.940) 8.265 3.872 ( 4.672 -6.525 4.344) 9.125 4.127 ( -7.125 -0.628 -3.013) 7.762 4.197 ( 3.499 -7.729 6.039) 10.414 4.528 ( 8.312 0.094 -9.481) 12.609 4.621 ( 0.646 -0.398 -1.118) 1.351 4.667 ( 8.575 -4.836 0.066) 9.845 4.962 ( -1.935 5.853 -4.604) 7.694 5.023 ( -0.831 -3.544 -0.613) 3.692 5.171 ( 0.413 0.528 -1.844) 1.962 5.268 ( 0.952 2.900 -0.056) 3.053 5.279 ( 1.564 1.577 1.242) 2.545 5.372 ( -0.711 2.511 -1.856) 3.203 5.440 ( -0.533 -8.056 0.953) 8.130 5.671 ( 0.468 4.230 6.862) 8.075 5.823 ( 0.242 4.018 -1.291) 4.227 5.961 ( 0.319 2.426 1.355) 2.797 6.002 ( 2.580 -0.073 3.462) 4.318 6.125 ( -1.034 1.921 -1.512) 2.654 6.223 ( -1.618 2.096 3.288) 4.222 6.299 ( -3.226 1.291 5.955) 6.895 6.512 ( -1.182 -4.293 -0.013) 4.453 6.618 ( 1.956 1.514 -1.028) 2.679 6.807 ( -5.584 0.551 -0.116) 5.612 7.074 ( 1.051 -3.720 0.153) 3.869 7.197 ( -5.022 -2.296 -0.523) 5.547 7.374 ( -1.718 -2.414 -1.972) 3.559 7.468 ( -2.650 -5.936 0.270) 6.507 7.587 ( 0.660 -3.972 0.839) 4.113 7.682 ( 2.341 -6.931 1.539) 7.476 7.807 ( -3.329 -5.572 2.133) 6.832 8.140 ( 8.223 -2.910 -4.224) 9.692 8.601 ( -7.598 -0.478 3.716) 8.471 9.021 ( -2.914 -1.175 4.022) 5.103 9.355 ( -0.160 -3.399 -2.217) 4.062 9.604 ( 2.596 -0.945 -6.142) 6.735 9.773 ( -2.543 2.016 1.891) 3.756 9.885 ( 5.432 -2.549 3.229) 6.814 10.266 ( 0.639 -2.814 2.941) 4.120 10.469 ( 4.758 -5.243 -1.058) 7.159 10.511 ( 2.909 -5.652 1.125) 6.455 10.679 ( 0.358 3.473 -0.629) 3.547 10.781 ( -4.366 -7.206 -3.809) 9.246 11.036 ( 5.308 -1.643 1.279) 5.701 11.210 ( -10.445 -5.319 0.662) 11.739 11.508 ( -2.354 7.909 -6.025) 10.217 11.753 ( -9.515 9.657 3.317) 13.957 12.009 ( -5.762 2.105 -3.369) 6.999 12.991 ( 10.245 5.362 2.780) 11.893 13.238 ( 2.569 -1.416 -4.326) 5.227 13.574 ( 5.450 10.165 -3.851) 12.160 13.835 ( -2.100 6.150 -1.977) 6.792 14.156 ( -3.380 -1.046 0.859) 3.641 14.209 ( -0.096 5.169 0.994) 5.265 14.387 ( 3.817 4.758 6.969) 9.262 14.621 ( -1.722 3.230 3.238) 4.887 14.712 ( -1.000 7.562 -0.936) 7.685 14.809 ( -4.058 1.539 -3.449) 5.544 15.166 ( 5.298 2.488 -1.705) 6.096 15.354 ( 6.916 -3.522 4.873) 9.164 15.504 ( -2.890 1.257 -0.734) 3.236 15.548 ( 0.784 0.298 0.986) 1.295 15.841 ( -2.128 -4.142 -0.968) 4.756 15.968 ( -0.152 1.093 -1.299) 1.705 24.707 ( 0.030 -1.263 0.488) 1.354 24.743 ( 0.933 0.493 -0.599) 1.213 24.864 ( -0.937 -1.256 0.594) 1.676 24.891 ( -0.306 0.688 -0.810) 1.106 25.106 ( -2.292 1.292 -0.184) 2.637 25.359 ( -2.664 -0.711 4.655) 5.410 25.526 ( -0.498 -1.394 -1.665) 2.228 25.650 ( 2.982 4.290 -0.260) 5.231 25.926 ( 1.423 -2.313 -2.552) 3.727 26.173 ( -3.097 4.292 3.922) 6.587 26.577 ( -2.899 -9.873 -1.575) 10.410 26.656 ( -3.898 -10.779 2.117) 11.656 27.385 ( -2.516 -8.690 0.032) 9.047 27.522 ( -0.636 -4.607 -4.717) 6.624 28.208 ( 3.329 0.785 7.938) 8.644 29.207 ( 11.357 22.379 -8.047) 26.354 ======================= Grid point 90 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -6.695 4.965 6.427) 10.525 1.628 ( 0.237 -4.483 -3.275) 5.557 1.896 ( 2.219 -5.283 6.356) 8.558 2.241 ( 0.910 -5.770 -10.058) 11.632 2.299 ( -2.112 -9.142 -4.644) 10.469 2.409 ( 1.515 -7.567 1.842) 7.934 2.491 ( -1.564 -4.722 -1.015) 5.077 2.539 ( -0.822 3.385 -3.553) 4.976 2.701 ( 4.692 -6.070 -0.104) 7.673 2.813 ( -4.848 0.703 3.028) 5.759 2.986 ( 1.463 -4.947 1.798) 5.463 3.034 ( -0.926 -6.295 2.813) 6.957 3.190 ( -2.263 -2.424 7.459) 8.163 3.323 ( -2.228 -2.655 -4.071) 5.347 3.372 ( -2.753 -1.926 6.202) 7.054 3.407 ( 2.760 0.438 -0.654) 2.870 3.786 ( 1.077 0.221 -5.154) 5.270 4.020 ( 3.315 -1.943 0.212) 3.849 4.077 ( -6.153 1.214 1.625) 6.479 4.376 ( 3.483 -7.007 -0.032) 7.825 4.456 ( 3.741 4.777 -7.048) 9.300 4.563 ( -1.272 4.087 -3.876) 5.774 4.744 ( -1.727 8.019 -0.987) 8.262 4.936 ( 5.067 -4.085 -1.091) 6.600 5.048 ( 2.554 -5.467 -13.311) 14.615 5.149 ( -2.242 1.038 0.777) 2.591 5.238 ( -3.066 -0.943 1.108) 3.394 5.307 ( 3.419 0.788 -4.438) 5.657 5.364 ( 2.947 -1.781 13.358) 13.795 5.554 ( -2.521 -2.650 2.243) 4.291 5.638 ( 1.311 1.367 1.642) 2.507 5.778 ( -1.406 0.479 3.363) 3.677 5.937 ( -0.905 1.295 1.924) 2.489 6.037 ( 4.493 0.187 3.286) 5.570 6.110 ( -0.892 1.808 -2.622) 3.308 6.181 ( -3.294 -2.266 3.649) 5.413 6.328 ( -1.271 -2.668 4.237) 5.166 6.555 ( -0.015 -1.028 -2.706) 2.894 6.654 ( 2.527 -2.205 -0.895) 3.471 6.708 ( -6.287 3.180 -0.873) 7.100 7.166 ( 0.349 -5.391 0.797) 5.460 7.190 ( -3.454 -1.713 1.017) 3.987 7.419 ( 2.718 -1.772 -1.938) 3.779 7.541 ( -0.808 -3.071 1.677) 3.591 7.671 ( 2.073 -3.258 0.443) 3.887 7.794 ( 1.993 -2.446 0.193) 3.161 7.907 ( -2.205 -7.358 0.993) 7.745 8.196 ( 2.868 0.130 -2.843) 4.041 8.617 ( -5.760 -4.322 5.887) 9.301 9.030 ( -2.575 0.068 3.286) 4.176 9.387 ( -2.228 -2.606 -4.183) 5.409 9.601 ( 2.738 0.623 -3.978) 4.869 9.749 ( -0.467 0.686 4.493) 4.569 9.994 ( 4.119 -2.939 2.322) 5.568 10.290 ( -4.084 -0.635 5.880) 7.188 10.501 ( 7.026 2.338 -1.382) 7.533 10.623 ( -2.416 -2.013 -1.933) 3.691 10.671 ( -0.585 -2.817 -4.235) 5.119 10.827 ( 11.236 4.618 -2.309) 12.365 11.124 ( -2.301 -6.660 -8.296) 10.884 11.157 ( -7.214 3.479 2.769) 8.475 11.388 ( 4.077 10.299 -2.954) 11.464 11.549 ( -13.560 -7.322 1.947) 15.533 11.969 ( 1.830 -1.536 0.140) 2.394 12.981 ( 5.171 5.757 4.511) 8.958 13.241 ( 4.542 1.080 -5.682) 7.354 13.428 ( -1.311 7.115 0.688) 7.268 13.715 ( 0.640 5.355 -2.840) 6.095 14.103 ( 1.038 3.582 -1.897) 4.184 14.207 ( -2.799 -2.385 2.679) 4.550 14.267 ( -5.832 5.486 1.547) 8.155 14.583 ( -0.140 2.813 4.352) 5.184 14.671 ( 3.082 -0.723 -0.483) 3.202 14.746 ( -3.507 -0.429 -3.632) 5.067 15.119 ( 1.159 5.369 1.971) 5.836 15.396 ( 0.532 5.035 -2.037) 5.458 15.523 ( 2.563 -2.599 4.080) 5.474 15.566 ( 1.049 -2.793 -1.400) 3.295 15.865 ( 2.323 0.376 -1.631) 2.863 15.975 ( -2.425 -2.509 1.758) 3.908 24.731 ( -0.027 -0.921 -0.335) 0.980 24.738 ( 0.300 0.201 0.243) 0.436 24.866 ( -0.129 1.234 -0.572) 1.366 24.887 ( -0.352 -1.550 0.105) 1.593 25.062 ( -2.020 1.461 0.829) 2.627 25.388 ( -1.794 -2.099 2.921) 4.019 25.532 ( 0.880 0.662 -2.726) 2.940 25.614 ( 1.506 0.729 2.140) 2.716 25.938 ( 0.413 0.914 -4.829) 4.932 26.101 ( -5.033 -0.191 -0.032) 5.036 26.728 ( 2.541 -7.079 1.872) 7.751 26.845 ( -0.193 -8.560 5.867) 10.380 27.499 ( 0.786 -5.247 -2.304) 5.784 27.614 ( -1.217 -9.217 -3.273) 9.856 28.226 ( -1.043 2.673 5.452) 6.161 28.828 ( 5.465 23.199 -5.482) 24.457 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -4.547 7.560 6.949) 11.231 1.703 ( 5.132 -1.696 3.857) 6.640 1.998 ( -1.541 0.081 7.323) 7.484 2.123 ( -4.111 8.643 -8.926) 13.087 2.370 ( 2.281 2.553 -4.398) 5.573 2.402 ( 1.161 -0.336 -9.412) 9.490 2.518 ( 3.561 0.591 2.869) 4.611 2.545 ( -4.396 -1.834 2.595) 5.424 2.768 ( -1.419 1.405 1.321) 2.394 2.964 ( 5.596 -9.794 4.272) 12.061 3.006 ( 0.505 0.486 1.944) 2.066 3.155 ( -1.494 -4.182 4.059) 6.016 3.238 ( -0.607 1.020 4.159) 4.325 3.338 ( -6.788 -0.019 -0.908) 6.848 3.407 ( -2.527 -10.462 3.577) 11.342 3.535 ( 7.483 -2.906 -0.038) 8.027 3.765 ( 1.831 0.953 -0.863) 2.237 3.974 ( 2.153 5.448 1.083) 5.957 4.019 ( -4.974 -0.244 -8.641) 9.973 4.287 ( -3.763 4.272 -13.086) 14.270 4.425 ( -1.233 9.440 3.615) 10.184 4.519 ( 5.290 -1.057 2.100) 5.789 4.652 ( 1.871 3.301 4.002) 5.515 4.933 ( -2.087 -0.647 -2.862) 3.601 5.118 ( -0.635 1.200 1.954) 2.380 5.142 ( 5.549 -2.962 -7.579) 9.850 5.242 ( -1.474 0.710 -5.419) 5.660 5.316 ( 2.235 -5.902 -5.869) 8.618 5.480 ( 3.651 4.465 11.149) 12.552 5.539 ( -1.359 -1.452 0.227) 2.002 5.664 ( -3.239 -2.773 -0.867) 4.351 5.799 ( -2.291 -0.674 6.894) 7.296 5.881 ( -2.228 4.855 3.379) 6.321 6.089 ( 1.485 -2.892 -3.652) 4.890 6.113 ( 6.356 -1.389 0.793) 6.554 6.248 ( -1.304 -3.829 1.774) 4.417 6.391 ( -5.947 -5.556 0.163) 8.141 6.492 ( -2.486 4.071 -5.137) 7.011 6.606 ( -2.794 1.882 -0.523) 3.409 6.707 ( 1.643 -1.377 -1.298) 2.506 7.212 ( -1.482 -2.567 1.940) 3.543 7.290 ( 1.715 -5.979 1.473) 6.392 7.432 ( 2.412 3.334 3.818) 5.614 7.581 ( 1.415 0.480 3.508) 3.813 7.714 ( 1.485 0.383 -0.937) 1.797 7.837 ( 1.747 -0.780 -0.928) 2.126 7.995 ( -0.469 -2.894 -1.062) 3.118 8.156 ( -0.557 3.490 -3.307) 4.840 8.687 ( -7.608 -4.984 8.082) 12.167 9.004 ( -1.845 2.295 2.825) 4.081 9.361 ( -2.281 0.511 -4.214) 4.819 9.593 ( 3.506 1.962 -0.646) 4.069 9.778 ( 0.620 -0.949 2.800) 3.020 10.075 ( 4.480 -1.617 -0.790) 4.828 10.310 ( -4.183 -1.125 7.454) 8.621 10.493 ( 0.772 2.477 -2.035) 3.297 10.607 ( 2.701 2.768 -2.389) 4.546 10.643 ( -3.003 -0.328 -2.970) 4.236 10.787 ( 5.361 5.599 0.490) 7.768 10.978 ( -9.782 2.777 -4.124) 10.973 11.092 ( 2.103 7.723 -3.451) 8.717 11.355 ( 7.305 -6.854 -6.387) 11.879 11.736 ( -8.047 -15.742 4.099) 18.148 12.129 ( 8.075 -9.980 4.592) 13.634 12.911 ( -1.176 5.854 2.154) 6.347 13.240 ( 1.192 3.384 2.263) 4.242 13.296 ( -0.715 2.550 -4.402) 5.137 13.621 ( 2.056 4.597 -2.832) 5.778 14.049 ( 1.703 3.114 -1.367) 3.803 14.107 ( -3.365 2.850 -1.475) 4.650 14.346 ( -0.863 -8.574 3.110) 9.161 14.545 ( -4.762 1.692 3.871) 6.366 14.723 ( 1.924 0.073 -1.290) 2.318 14.733 ( -1.648 -4.488 -1.896) 5.143 15.035 ( -2.067 4.663 4.142) 6.571 15.300 ( 0.707 4.082 -2.511) 4.845 15.555 ( 0.096 -0.898 -0.960) 1.318 15.639 ( 2.364 -1.613 -0.407) 2.890 15.875 ( 4.883 2.063 1.767) 5.588 16.008 ( -2.539 -3.326 -1.468) 4.434 24.722 ( 0.154 1.182 0.465) 1.279 24.750 ( -0.270 -0.828 -1.173) 1.461 24.847 ( 0.239 0.732 0.717) 1.052 24.910 ( -0.226 -1.213 -0.286) 1.266 25.036 ( -1.721 0.564 2.892) 3.412 25.416 ( -1.212 -2.222 -3.310) 4.167 25.519 ( 0.501 0.642 2.860) 2.974 25.655 ( 2.798 -0.757 3.754) 4.743 25.876 ( -0.372 2.566 -4.284) 5.007 26.067 ( -6.072 -1.664 -4.027) 7.474 26.874 ( 1.840 -4.624 3.833) 6.281 26.996 ( -0.632 -5.017 6.277) 8.060 27.621 ( 10.598 -5.627 -0.005) 11.999 27.754 ( -0.561 -8.373 -4.417) 9.483 28.133 ( -3.658 7.830 1.119) 8.714 28.448 ( -1.290 17.856 -3.823) 18.306 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.448 9.465 9.451) 13.383 1.728 ( -1.969 13.003 9.502) 16.225 1.872 ( 7.958 4.557 -4.229) 10.099 1.984 ( -4.723 7.412 4.857) 10.042 2.224 ( 6.720 13.221 -2.872) 15.106 2.346 ( -0.757 3.508 -7.347) 8.177 2.503 ( 4.024 7.281 9.348) 12.514 2.561 ( -4.174 -1.945 1.829) 4.955 2.768 ( 1.371 0.246 3.557) 3.820 2.981 ( -0.465 1.189 0.947) 1.589 3.071 ( 0.166 5.748 5.716) 8.108 3.114 ( -6.072 3.638 -5.684) 9.078 3.191 ( -2.153 6.312 4.634) 8.121 3.384 ( -4.217 -4.189 -5.023) 7.783 3.544 ( 2.573 -3.063 -5.121) 6.498 3.588 ( 0.138 -8.977 4.690) 10.129 3.773 ( -1.215 3.796 -3.497) 5.302 3.889 ( 2.898 6.374 -1.965) 7.272 3.985 ( -2.370 -4.486 -0.377) 5.088 4.206 ( 2.202 -1.505 -3.390) 4.314 4.282 ( 1.073 5.134 2.404) 5.770 4.548 ( 3.851 2.706 2.600) 5.377 4.663 ( 0.502 1.291 8.145) 8.262 4.955 ( 1.553 -4.629 -2.891) 5.674 5.087 ( -1.179 2.817 0.957) 3.200 5.157 ( -0.194 -0.206 -11.628) 11.631 5.198 ( 0.008 -1.462 -5.882) 6.060 5.387 ( -0.191 -1.652 -2.074) 2.659 5.441 ( 4.396 3.556 -2.587) 6.218 5.545 ( -0.431 3.065 3.551) 4.711 5.624 ( -2.884 2.304 -0.298) 3.703 5.796 ( -2.093 0.393 1.565) 2.643 5.878 ( 3.927 -0.235 4.104) 5.685 6.139 ( -1.244 -2.361 -0.628) 2.742 6.161 ( 3.928 1.642 -1.657) 4.569 6.295 ( -2.550 -2.264 -4.242) 5.443 6.352 ( -7.861 -2.401 -1.009) 8.281 6.401 ( -5.040 -0.158 -6.665) 8.358 6.609 ( 1.111 -2.589 1.738) 3.310 6.760 ( 1.651 -3.205 1.572) 3.933 7.236 ( -1.626 1.744 4.237) 4.861 7.365 ( 3.632 3.100 1.615) 5.040 7.439 ( -2.308 -3.798 5.114) 6.775 7.571 ( 3.200 5.458 3.975) 7.472 7.683 ( 0.553 2.475 -1.336) 2.867 7.807 ( -0.409 4.768 -2.038) 5.201 7.990 ( -1.206 1.831 -1.870) 2.882 8.044 ( -0.414 5.233 -4.122) 6.675 8.732 ( -10.386 -3.209 9.408) 14.377 8.970 ( -0.022 1.541 2.915) 3.298 9.305 ( 0.386 2.397 -2.785) 3.695 9.573 ( 3.743 3.670 -0.373) 5.256 9.797 ( 0.083 -0.187 -0.959) 0.981 10.102 ( 8.986 4.029 -4.599) 10.869 10.247 ( -6.547 6.518 2.253) 9.509 10.447 ( -12.549 -3.634 3.308) 13.477 10.578 ( 3.373 3.015 -2.008) 4.949 10.672 ( 5.683 -2.483 1.791) 6.455 10.786 ( 1.169 -4.793 2.065) 5.348 10.865 ( -4.609 0.475 -1.901) 5.008 11.040 ( 6.047 2.184 -0.568) 6.454 11.545 ( 9.883 -9.006 -6.633) 14.926 11.956 ( -9.982 -13.833 6.264) 18.172 12.419 ( -0.572 -11.814 4.459) 12.641 12.778 ( -6.011 5.735 -0.444) 8.320 13.133 ( 5.197 4.100 -1.696) 6.834 13.344 ( -1.032 -4.350 -1.548) 4.731 13.580 ( 8.986 2.630 -1.795) 9.534 14.002 ( -0.028 1.675 0.636) 1.792 14.101 ( 1.587 -3.319 -1.872) 4.127 14.456 ( -6.097 -0.073 0.394) 6.110 14.536 ( -4.304 -7.120 4.044) 9.250 14.681 ( 1.363 3.548 -0.754) 3.875 14.843 ( 1.159 -7.201 0.491) 7.310 14.977 ( -4.368 1.221 4.234) 6.204 15.242 ( 1.638 2.338 -2.792) 3.993 15.558 ( -0.173 0.321 -0.393) 0.536 15.649 ( 0.865 0.678 -2.413) 2.652 15.876 ( 3.027 3.222 3.410) 5.583 16.038 ( 0.573 -2.872 -5.766) 6.467 24.700 ( 0.151 1.691 0.689) 1.832 24.748 ( 0.013 -0.186 -1.759) 1.768 24.851 ( 0.059 -0.082 1.788) 1.791 24.922 ( -0.279 -0.510 -0.426) 0.720 25.049 ( -1.642 -1.292 5.529) 5.911 25.421 ( 0.110 -1.762 -5.373) 5.656 25.529 ( -1.318 0.631 3.981) 4.241 25.719 ( 3.564 -0.093 4.996) 6.137 25.797 ( -1.477 2.758 -3.619) 4.784 26.025 ( -4.528 -1.628 -3.786) 6.123 26.933 ( -5.508 -1.654 2.223) 6.165 27.073 ( -3.020 -1.711 5.700) 6.674 27.800 ( 0.990 1.401 -8.840) 9.005 27.884 ( 2.780 2.966 8.591) 9.504 27.945 ( 8.117 1.654 -2.545) 8.666 28.180 ( 2.882 2.935 -5.813) 7.121 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 3.520 -0.000 -12.984) 13.453 1.230 ( 2.677 -0.000 -7.328) 7.802 1.763 ( 4.001 -0.000 -0.462) 4.027 1.780 ( 1.971 -0.000 -1.009) 2.214 1.873 ( 1.991 -0.000 10.595) 10.781 1.905 ( -7.340 0.000 -7.804) 10.714 2.021 ( 8.155 -0.000 5.062) 9.598 2.336 ( -3.040 0.000 5.883) 6.622 2.647 ( -11.439 0.000 -4.912) 12.449 2.683 ( 10.410 -0.000 -0.026) 10.410 2.906 ( 0.754 -0.000 4.312) 4.377 3.064 ( 4.762 -0.000 4.101) 6.285 3.102 ( -0.188 0.000 -0.238) 0.303 3.325 ( -3.594 0.000 0.673) 3.656 3.347 ( -12.273 0.000 -5.124) 13.300 3.415 ( 0.374 -0.000 -3.814) 3.832 3.701 ( -5.354 0.000 12.124) 13.254 3.860 ( -4.259 0.000 -3.956) 5.813 4.035 ( 11.811 -0.000 4.144) 12.517 4.156 ( -4.519 0.000 -6.756) 8.128 4.366 ( 3.655 -0.000 -0.055) 3.656 4.607 ( -0.490 0.000 -1.125) 1.227 4.781 ( 3.320 -0.000 -8.356) 8.992 4.826 ( -6.280 0.000 -2.604) 6.799 5.087 ( 1.087 -0.000 -2.597) 2.816 5.186 ( 0.211 -0.000 3.114) 3.121 5.229 ( 5.894 -0.000 -3.356) 6.782 5.305 ( 6.953 -0.000 3.039) 7.588 5.408 ( -0.833 0.000 0.063) 0.835 5.469 ( -0.608 0.000 -1.288) 1.424 5.779 ( -0.612 0.000 6.100) 6.130 5.912 ( 8.341 -0.000 -5.674) 10.088 5.976 ( -3.352 0.000 9.838) 10.393 6.136 ( -3.465 0.000 -1.967) 3.985 6.186 ( 2.231 -0.000 5.772) 6.188 6.264 ( 3.672 -0.000 3.977) 5.413 6.361 ( -1.082 0.000 4.874) 4.993 6.431 ( 1.026 -0.000 -2.705) 2.893 6.575 ( -12.339 0.000 -4.204) 13.035 6.829 ( 0.303 -0.000 -1.219) 1.256 6.994 ( 0.119 -0.000 -3.423) 3.425 7.155 ( -0.128 0.000 -1.930) 1.935 7.270 ( -5.960 0.000 1.444) 6.132 7.364 ( -5.568 0.000 4.201) 6.975 7.459 ( -8.326 0.000 6.703) 10.689 7.601 ( 3.155 -0.000 0.151) 3.159 7.662 ( -0.624 0.000 -0.375) 0.729 8.054 ( 13.125 -0.000 -8.861) 15.836 8.664 ( -8.550 0.000 0.510) 8.565 8.992 ( -4.067 0.000 4.427) 6.011 9.316 ( 0.090 -0.000 -1.882) 1.884 9.483 ( -1.141 0.000 -8.709) 8.783 9.810 ( 1.591 -0.000 -0.606) 1.703 9.845 ( 2.866 -0.000 5.500) 6.202 10.056 ( 4.917 -0.000 0.358) 4.930 10.258 ( -2.731 0.000 10.604) 10.950 10.469 ( 2.678 -0.000 -0.794) 2.794 10.622 ( -0.673 0.000 -0.772) 1.024 10.820 ( -3.422 0.000 6.885) 7.689 10.903 ( -9.431 0.000 0.401) 9.440 11.135 ( -3.240 0.000 -4.709) 5.715 11.703 ( 3.290 -0.000 -12.111) 12.550 11.959 ( -6.204 0.000 4.727) 7.799 12.059 ( -7.367 0.000 -1.398) 7.498 13.133 ( 5.654 -0.000 -7.487) 9.382 13.164 ( 6.072 -0.000 5.765) 8.373 13.806 ( 10.112 -0.000 -9.632) 13.965 13.974 ( -9.661 0.000 0.372) 9.668 14.126 ( -2.204 0.000 2.158) 3.085 14.412 ( 10.828 -0.000 7.518) 13.181 14.460 ( 0.877 -0.000 2.643) 2.785 14.690 ( -11.675 0.000 -0.171) 11.676 14.917 ( 0.571 -0.000 -0.690) 0.895 14.943 ( 5.839 -0.000 -1.979) 6.165 15.093 ( 5.925 -0.000 -0.160) 5.927 15.352 ( 1.182 -0.000 5.188) 5.320 15.455 ( 0.388 -0.000 0.896) 0.977 15.630 ( -3.464 0.000 0.018) 3.464 15.685 ( -2.060 0.000 0.549) 2.132 16.010 ( 2.445 -0.000 -4.791) 5.378 24.683 ( -0.196 0.000 1.007) 1.026 24.751 ( 1.757 -0.000 -1.694) 2.441 24.846 ( -1.528 0.000 0.999) 1.826 24.893 ( -0.423 0.000 -0.542) 0.688 25.116 ( -2.361 0.000 -1.106) 2.607 25.351 ( -3.238 0.000 3.769) 4.969 25.552 ( -0.783 0.000 -1.653) 1.829 25.697 ( 3.772 -0.000 0.207) 3.777 26.000 ( -0.000 0.000 -0.302) 0.302 26.220 ( 2.791 -0.000 2.424) 3.696 26.221 ( -6.282 0.000 9.294) 11.218 26.429 ( -9.952 0.000 -8.243) 12.923 27.227 ( -1.795 0.000 1.453) 2.310 27.437 ( 1.461 -0.000 -4.493) 4.724 28.233 ( 4.660 -0.000 10.783) 11.747 29.677 ( 12.652 -0.000 -12.868) 18.046 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 6.671 -14.805 -7.389) 17.840 1.449 ( -8.366 -12.020 -3.640) 15.090 1.693 ( 2.208 -7.908 -9.176) 12.313 1.897 ( -2.957 -12.603 -5.445) 14.044 1.936 ( 0.406 -3.421 0.832) 3.544 2.021 ( 5.378 -4.607 4.371) 8.322 2.190 ( 3.150 -9.304 7.346) 12.266 2.422 ( -1.876 -7.498 7.689) 10.902 2.522 ( -5.797 -0.196 -5.706) 8.136 2.793 ( 4.935 -1.579 1.803) 5.487 2.972 ( 1.795 -5.056 4.864) 7.242 3.000 ( -1.329 6.548 -6.261) 9.157 3.089 ( -6.359 3.846 -1.961) 7.686 3.190 ( 1.261 0.455 3.112) 3.388 3.324 ( -3.336 -2.958 -0.497) 4.486 3.552 ( -1.918 -7.599 -2.290) 8.165 3.704 ( -1.984 0.358 5.831) 6.170 3.819 ( -2.272 -1.769 -1.725) 3.357 4.065 ( 0.626 0.283 -3.164) 3.238 4.156 ( 1.005 -3.004 2.047) 3.772 4.487 ( 7.244 -6.811 -3.444) 10.523 4.610 ( 1.408 -0.408 0.854) 1.696 4.678 ( -0.080 3.128 -7.194) 7.845 4.848 ( -4.123 -5.742 -7.194) 10.086 5.060 ( 0.088 3.565 -1.485) 3.863 5.164 ( -1.958 0.552 -3.897) 4.396 5.289 ( 4.068 -1.380 2.572) 5.007 5.362 ( 2.045 2.844 3.947) 5.277 5.392 ( -1.928 3.239 0.159) 3.773 5.453 ( 7.197 -0.009 5.425) 9.013 5.787 ( -0.775 1.646 7.892) 8.099 5.894 ( 3.190 3.858 -4.394) 6.661 6.007 ( -2.815 -0.396 6.600) 7.186 6.071 ( 1.812 3.674 1.492) 4.359 6.157 ( -3.643 6.354 -3.205) 7.995 6.268 ( 2.191 3.046 4.658) 5.981 6.337 ( -2.321 2.320 4.997) 5.978 6.415 ( -1.678 -4.693 1.368) 5.168 6.639 ( 0.189 -4.813 -3.723) 6.088 6.766 ( -2.301 3.009 0.024) 3.789 7.021 ( 1.146 -3.153 -1.764) 3.790 7.138 ( -0.037 -0.806 -1.990) 2.147 7.315 ( -4.582 -1.353 1.248) 4.938 7.333 ( -2.789 -5.515 0.911) 6.247 7.490 ( -4.063 -6.262 5.083) 9.031 7.632 ( 2.753 -1.396 0.948) 3.229 7.703 ( -1.896 -4.384 0.910) 4.862 8.130 ( 8.694 -2.507 -8.233) 12.234 8.567 ( -6.704 2.331 1.863) 7.338 8.989 ( -4.006 -1.135 3.755) 5.607 9.294 ( -0.712 -0.824 -3.211) 3.391 9.516 ( 0.550 -7.227 -10.783) 12.993 9.808 ( 1.063 1.686 0.754) 2.131 9.915 ( 3.507 -1.052 5.418) 6.539 10.192 ( 3.513 -7.896 2.751) 9.070 10.342 ( -3.383 -6.078 8.630) 11.085 10.520 ( 5.791 -0.605 1.286) 5.963 10.635 ( -0.408 -3.342 -1.714) 3.778 10.735 ( -2.097 3.166 -0.618) 3.847 10.930 ( -12.519 -8.427 3.620) 15.519 11.097 ( 1.172 0.646 -4.549) 4.742 11.617 ( 3.348 6.828 -8.307) 11.263 11.863 ( -6.193 6.338 0.608) 8.883 11.979 ( -3.722 1.419 -4.860) 6.284 13.157 ( 9.632 1.696 -0.493) 9.792 13.223 ( 1.983 -0.215 1.075) 2.266 13.746 ( -0.304 8.042 -3.642) 8.833 13.884 ( -0.986 1.907 -4.538) 5.020 14.124 ( -1.614 -0.131 1.525) 2.225 14.366 ( 0.216 9.550 3.134) 10.054 14.521 ( 4.172 0.705 5.249) 6.741 14.589 ( -9.435 0.964 -1.664) 9.629 14.843 ( -0.055 6.163 -1.469) 6.336 14.882 ( 2.475 8.180 -1.367) 8.655 15.203 ( 6.696 -1.978 0.697) 7.017 15.396 ( 3.880 -1.394 6.661) 7.834 15.490 ( -1.241 -1.176 1.719) 2.424 15.572 ( -2.065 1.852 0.623) 2.843 15.720 ( -3.943 -5.269 -0.806) 6.630 16.002 ( 3.780 1.508 -2.102) 4.580 24.690 ( -0.568 -0.667 0.452) 0.986 24.757 ( 1.642 0.215 -1.122) 2.001 24.841 ( -1.400 -0.420 0.724) 1.631 24.889 ( -0.152 -0.123 -0.852) 0.874 25.091 ( -2.304 0.021 -1.104) 2.555 25.355 ( -1.903 -0.535 4.699) 5.097 25.515 ( -0.395 1.255 -2.098) 2.476 25.711 ( 0.165 0.370 -2.680) 2.710 25.920 ( -0.249 4.081 -1.731) 4.440 26.204 ( -6.144 2.011 -0.662) 6.498 26.361 ( -0.687 -11.842 1.962) 12.023 26.468 ( 2.094 -9.211 4.187) 10.332 27.255 ( -1.469 -4.134 1.039) 4.508 27.444 ( 1.327 -2.098 -4.960) 5.546 28.305 ( 0.644 1.678 12.744) 12.870 29.580 ( 9.887 14.044 -11.151) 20.477 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -11.495 -3.500 2.925) 12.367 1.489 ( 5.861 -17.184 0.212) 18.157 1.800 ( -1.715 -1.027 -5.412) 5.769 2.021 ( -0.285 -12.054 -11.584) 16.721 2.138 ( 3.521 -12.850 3.024) 13.663 2.226 ( -2.100 -11.605 3.554) 12.318 2.419 ( 3.335 -8.108 4.357) 9.790 2.439 ( -3.674 -2.392 -8.609) 9.661 2.652 ( 2.204 -7.920 4.224) 9.243 2.795 ( -3.553 2.215 1.566) 4.470 2.892 ( -1.578 -1.330 -3.635) 4.180 2.992 ( 0.714 -0.049 -0.069) 0.719 3.121 ( -1.536 -8.089 1.028) 8.298 3.242 ( 2.454 0.384 4.250) 4.922 3.369 ( 0.144 -3.727 0.335) 3.744 3.525 ( 1.903 6.361 5.406) 8.562 3.733 ( -0.812 -3.855 -5.093) 6.439 3.883 ( -3.765 -6.097 -1.917) 7.419 4.130 ( 3.570 -3.258 3.081) 5.732 4.228 ( -3.209 -4.883 0.500) 5.864 4.508 ( 1.308 2.245 -9.055) 9.421 4.584 ( 0.162 2.173 -3.575) 4.187 4.778 ( -2.703 -5.719 -0.041) 6.325 4.846 ( 5.307 -4.923 -12.942) 14.829 4.954 ( -2.231 3.677 -1.597) 4.588 5.124 ( -0.987 -1.424 -3.867) 4.237 5.269 ( -0.209 5.400 1.458) 5.597 5.343 ( 0.201 1.779 -0.554) 1.874 5.420 ( 2.089 -1.989 13.011) 13.327 5.539 ( 5.012 -0.047 4.557) 6.774 5.789 ( 1.689 5.046 7.401) 9.116 5.836 ( 3.996 4.240 2.926) 6.520 5.954 ( -0.053 2.344 -3.041) 3.840 6.061 ( -4.136 -0.749 -1.589) 4.494 6.095 ( 0.639 -1.985 6.145) 6.489 6.199 ( -4.134 4.606 3.215) 6.974 6.336 ( -0.678 1.799 6.010) 6.310 6.485 ( -0.367 -3.938 -2.070) 4.464 6.649 ( 3.038 0.468 -1.994) 3.664 6.703 ( -4.881 1.832 -1.409) 5.401 7.075 ( -1.033 -3.541 -1.311) 3.914 7.159 ( 0.645 -1.444 0.243) 1.600 7.351 ( 1.971 -5.604 -1.787) 6.204 7.454 ( 0.468 -6.487 0.215) 6.507 7.614 ( 0.064 -5.925 3.472) 6.868 7.739 ( -0.485 -8.135 2.362) 8.485 7.763 ( -2.035 -3.414 1.092) 4.122 8.185 ( 2.888 -1.878 -5.816) 6.760 8.533 ( -4.893 -2.116 4.417) 6.923 9.002 ( -3.450 -1.771 2.999) 4.902 9.306 ( -0.097 -2.568 -3.996) 4.752 9.588 ( 3.742 -3.653 -6.744) 8.534 9.794 ( 1.225 1.673 2.724) 3.424 9.980 ( 1.839 -1.927 0.767) 2.772 10.297 ( -5.296 -0.451 11.364) 12.546 10.472 ( -2.494 -6.755 -2.581) 7.649 10.546 ( -2.021 -0.852 0.001) 2.193 10.688 ( 7.900 1.554 -3.902) 8.947 10.807 ( 5.220 -9.328 -2.023) 10.879 11.008 ( -8.237 -9.644 0.528) 12.694 11.096 ( 1.323 -1.364 -0.555) 1.979 11.442 ( -3.116 9.329 -1.129) 9.900 11.642 ( 0.441 12.669 -5.460) 13.803 11.939 ( 1.029 -1.751 -4.559) 4.991 13.161 ( 1.860 5.821 4.602) 7.650 13.256 ( 5.762 -0.352 -2.658) 6.356 13.541 ( -5.992 8.526 -1.780) 10.572 13.822 ( 5.120 4.968 -4.265) 8.312 14.121 ( -1.944 -0.489 1.726) 2.645 14.224 ( -0.946 6.415 3.554) 7.394 14.413 ( -2.927 11.168 -1.088) 11.597 14.546 ( -4.414 -2.924 -0.869) 5.365 14.723 ( -2.943 5.380 -1.392) 6.289 14.779 ( 5.387 4.932 -0.540) 7.324 15.214 ( 0.705 3.637 0.948) 3.825 15.456 ( -2.834 2.723 -0.367) 3.947 15.535 ( -0.839 -1.584 4.361) 4.715 15.543 ( 4.870 -1.527 4.055) 6.518 15.790 ( -2.417 -6.009 -1.888) 6.747 16.005 ( 4.803 2.200 1.116) 5.400 24.702 ( -0.725 -1.277 -0.100) 1.472 24.757 ( 1.126 0.702 0.049) 1.328 24.848 ( -1.117 -1.325 -0.143) 1.739 24.883 ( 0.344 0.354 -0.767) 0.912 25.063 ( -2.335 0.495 0.004) 2.387 25.375 ( -0.869 -0.114 3.319) 3.433 25.509 ( 0.795 -1.679 -2.050) 2.766 25.665 ( -0.655 2.064 -0.512) 2.225 25.881 ( -2.083 -1.530 -4.274) 4.995 26.095 ( -3.144 3.528 -3.507) 5.885 26.605 ( 2.234 -11.045 5.123) 12.379 26.704 ( 2.199 -10.754 5.672) 12.356 27.364 ( 0.084 -8.392 0.035) 8.392 27.488 ( 2.483 -4.160 -4.669) 6.728 28.308 ( -3.070 3.742 10.683) 11.729 29.253 ( 4.928 22.787 -9.251) 25.082 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -6.443 0.081 6.593) 9.219 1.712 ( 6.300 -1.698 2.926) 7.150 1.891 ( -4.237 -13.211 -0.215) 13.876 2.090 ( -4.685 -2.430 -12.005) 13.114 2.318 ( -2.692 -6.666 -2.759) 7.700 2.361 ( 5.411 -2.183 -2.944) 6.535 2.463 ( -0.279 -5.922 -3.070) 6.676 2.543 ( -0.300 -0.298 2.110) 2.152 2.779 ( 1.546 -1.349 4.884) 5.297 2.815 ( 3.951 -10.077 2.755) 11.169 3.006 ( -3.366 -10.242 0.588) 10.797 3.030 ( -0.323 -1.120 -1.207) 1.678 3.223 ( -1.466 -2.920 4.379) 5.464 3.295 ( 1.152 -2.755 5.320) 6.100 3.362 ( -0.143 2.958 4.782) 5.625 3.582 ( 9.703 -2.330 2.576) 10.306 3.761 ( 0.712 -1.394 -4.872) 5.117 3.924 ( -3.167 -2.915 -3.333) 5.444 4.113 ( 0.043 6.763 1.616) 6.953 4.227 ( -4.493 0.314 -13.426) 14.161 4.406 ( -7.462 -0.478 -5.888) 9.517 4.593 ( 5.256 -1.041 1.718) 5.626 4.703 ( -5.697 1.062 -0.807) 5.851 4.884 ( -0.019 1.783 -2.416) 3.003 5.054 ( 7.212 -8.524 -3.038) 11.572 5.165 ( 3.311 -1.360 -5.226) 6.334 5.212 ( -0.526 -0.921 -0.452) 1.153 5.286 ( 0.579 4.031 -0.063) 4.073 5.488 ( -2.241 -0.468 4.999) 5.498 5.634 ( 2.843 -1.684 6.447) 7.244 5.697 ( 2.614 8.616 6.018) 10.830 5.821 ( -1.896 0.682 5.872) 6.208 5.956 ( 0.743 2.761 1.107) 3.066 6.035 ( 0.234 -1.651 -3.924) 4.263 6.121 ( -2.672 -0.147 1.277) 2.965 6.202 ( 2.184 -3.667 6.263) 7.579 6.317 ( -3.346 0.956 4.273) 5.511 6.498 ( -2.217 0.905 -4.254) 4.881 6.606 ( -3.030 1.888 -1.570) 3.901 6.686 ( 2.950 -1.448 -2.534) 4.149 7.133 ( 0.145 -4.821 -1.555) 5.068 7.215 ( 0.439 -3.712 1.632) 4.079 7.465 ( 3.073 -3.650 -0.060) 4.772 7.561 ( 1.546 -4.631 -0.105) 4.883 7.714 ( 0.093 -1.997 3.378) 3.926 7.800 ( -2.016 -3.278 -0.193) 3.853 7.900 ( 0.517 -7.234 1.105) 7.336 8.181 ( 0.014 1.040 -3.485) 3.637 8.578 ( -6.372 -4.066 7.379) 10.564 9.015 ( -2.546 -0.696 2.416) 3.578 9.328 ( 0.798 -1.392 -3.326) 3.693 9.638 ( 4.690 -0.469 -2.174) 5.191 9.798 ( 1.618 0.755 1.702) 2.467 10.038 ( 2.149 -4.108 -2.786) 5.410 10.306 ( -4.840 0.246 12.410) 13.323 10.470 ( -10.896 -1.150 -6.748) 12.867 10.542 ( -0.558 -0.610 -0.260) 0.866 10.697 ( 5.071 1.425 -0.471) 5.288 10.909 ( -2.244 -1.462 -6.475) 7.007 11.051 ( 7.517 12.317 1.816) 14.544 11.137 ( 2.304 -2.111 -4.101) 5.156 11.325 ( -4.337 -5.563 -4.862) 8.567 11.500 ( 5.032 0.721 3.716) 6.297 12.026 ( 3.779 -7.895 -3.035) 9.264 13.049 ( -4.358 7.738 5.186) 10.284 13.269 ( 2.830 1.266 -1.611) 3.494 13.358 ( -3.403 6.241 -2.554) 7.554 13.740 ( 5.000 6.556 -3.482) 8.950 14.096 ( -0.814 2.418 -0.210) 2.560 14.199 ( -0.083 7.546 -1.472) 7.689 14.232 ( 0.279 -3.740 5.547) 6.696 14.566 ( -5.383 1.884 3.195) 6.537 14.602 ( -3.218 -2.652 -4.933) 6.459 14.761 ( 3.499 1.991 -1.498) 4.296 15.130 ( -3.041 5.346 3.306) 6.982 15.371 ( -1.302 3.978 -0.622) 4.231 15.527 ( -0.820 -0.678 -0.676) 1.261 15.655 ( 3.822 -0.626 3.979) 5.553 15.871 ( -1.274 -5.919 -2.450) 6.532 16.003 ( 4.348 3.403 1.811) 5.811 24.719 ( -0.648 -1.286 -0.418) 1.500 24.752 ( 0.699 1.023 0.742) 1.444 24.856 ( -0.691 -0.362 -0.433) 0.893 24.885 ( 0.490 -0.735 -0.312) 0.937 25.041 ( -2.046 0.241 1.903) 2.805 25.375 ( 0.298 -0.147 -2.514) 2.536 25.538 ( 0.128 -0.432 1.717) 1.775 25.672 ( 1.509 -1.702 3.725) 4.364 25.858 ( -3.063 -0.725 -5.593) 6.418 26.007 ( -1.707 1.765 -3.300) 4.114 26.800 ( -0.275 -6.340 4.664) 7.876 26.915 ( 0.862 -7.596 5.066) 9.171 27.560 ( 5.837 -11.141 -0.648) 12.594 27.595 ( 5.423 -6.682 -4.367) 9.650 28.228 ( -5.684 6.147 6.580) 10.648 28.797 ( -1.279 23.942 -6.861) 24.938 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.183 3.468 6.401) 7.282 1.837 ( 3.165 -2.014 4.781) 6.077 1.916 ( -3.961 3.586 -7.580) 9.274 2.063 ( -2.000 -3.776 1.741) 4.614 2.359 ( 3.063 3.193 -2.962) 5.324 2.392 ( 3.718 -1.718 -4.556) 6.126 2.515 ( -1.429 1.107 4.743) 5.076 2.561 ( -0.910 -3.718 2.344) 4.488 2.825 ( 1.964 0.931 5.494) 5.908 2.999 ( -0.614 0.561 -3.359) 3.460 3.063 ( -1.027 -5.560 0.270) 5.660 3.110 ( -2.069 -3.412 1.129) 4.147 3.235 ( -5.173 3.355 5.435) 8.220 3.289 ( -1.057 -3.295 -1.546) 3.790 3.450 ( -1.010 -0.049 5.484) 5.577 3.630 ( 7.517 2.934 -1.753) 8.257 3.791 ( 2.661 -3.495 -1.058) 4.518 3.884 ( 0.715 1.134 -8.970) 9.070 4.034 ( -0.826 4.233 3.293) 5.426 4.154 ( 2.567 -3.263 -4.501) 6.123 4.331 ( -5.951 0.267 -1.395) 6.119 4.618 ( 0.004 1.730 0.710) 1.870 4.693 ( -2.280 -2.279 2.006) 3.796 4.872 ( 2.028 -1.068 -2.975) 3.755 5.108 ( -0.371 3.406 -4.823) 5.917 5.187 ( 3.053 2.405 1.950) 4.348 5.202 ( 4.274 0.824 -4.292) 6.113 5.310 ( 2.670 -4.533 -3.247) 6.182 5.499 ( -4.640 -1.231 0.284) 4.809 5.558 ( 2.178 4.464 -0.516) 4.993 5.727 ( 0.174 4.162 9.291) 10.182 5.777 ( -4.255 0.950 2.486) 5.019 5.939 ( 4.483 0.592 3.227) 5.555 6.070 ( -2.944 -2.735 -1.417) 4.261 6.149 ( -0.286 -2.911 -0.344) 2.945 6.228 ( -6.909 0.695 -2.374) 7.339 6.324 ( 2.768 2.227 1.665) 3.923 6.399 ( -0.743 3.251 -1.384) 3.610 6.589 ( 1.087 -1.421 -0.259) 1.808 6.724 ( 0.932 -2.498 -0.290) 2.682 7.215 ( 0.857 -3.181 -0.559) 3.342 7.318 ( -0.844 -6.780 1.754) 7.054 7.488 ( -1.152 3.611 3.348) 5.057 7.641 ( 1.346 -2.295 0.491) 2.705 7.710 ( -1.988 1.613 0.269) 2.574 7.827 ( 0.424 -0.039 -3.250) 3.277 7.984 ( -0.120 -1.386 -0.362) 1.437 8.119 ( 1.034 4.001 -2.308) 4.733 8.635 ( -8.363 -3.918 10.595) 14.055 9.009 ( -0.822 0.872 2.464) 2.740 9.334 ( 2.566 0.600 -2.115) 3.379 9.655 ( 3.262 2.049 1.120) 4.012 9.799 ( 1.213 0.844 -1.420) 2.049 10.150 ( 6.030 -5.633 -3.609) 9.007 10.279 ( -11.243 5.466 -9.110) 15.469 10.335 ( -5.389 -0.614 10.496) 11.814 10.563 ( -2.355 -3.585 -1.399) 4.512 10.730 ( 5.737 0.381 1.007) 5.837 10.808 ( -3.059 8.781 2.226) 9.561 10.870 ( 0.978 2.386 -1.805) 3.147 11.173 ( 9.582 4.341 -0.991) 10.567 11.418 ( 8.189 -7.240 -11.377) 15.777 11.674 ( -4.956 -12.289 8.792) 15.902 12.208 ( -2.823 -10.928 -1.675) 11.410 12.889 ( -4.263 8.305 4.861) 10.525 13.222 ( 0.458 4.596 -4.724) 6.607 13.276 ( 0.086 -1.405 -0.449) 1.477 13.679 ( 5.758 2.679 -1.957) 6.645 14.067 ( 1.370 -0.366 -2.635) 2.993 14.093 ( 3.804 5.439 1.287) 6.761 14.380 ( -0.466 -6.451 4.920) 8.127 14.450 ( -8.196 2.208 1.939) 8.707 14.697 ( -0.653 -8.119 -1.006) 8.208 14.735 ( 1.076 2.129 -1.229) 2.684 15.027 ( -3.576 4.471 3.900) 6.927 15.299 ( 0.949 3.340 -0.494) 3.507 15.538 ( -0.046 -1.331 -1.659) 2.127 15.672 ( 1.207 1.876 -0.473) 2.281 15.939 ( -1.887 -4.467 -3.991) 6.280 15.982 ( 4.142 3.471 2.210) 5.839 24.728 ( -0.041 -0.136 -0.370) 0.396 24.740 ( 0.254 0.970 0.275) 1.040 24.857 ( -0.198 -0.343 0.780) 0.874 24.902 ( -0.064 -0.848 -0.441) 0.958 25.044 ( -1.702 -0.718 3.943) 4.354 25.371 ( 1.324 -0.973 -4.750) 5.027 25.546 ( -1.653 0.299 3.845) 4.195 25.742 ( 0.204 -1.052 0.040) 1.072 25.815 ( 0.454 0.448 0.977) 1.166 25.968 ( -0.465 -0.233 -3.121) 3.164 26.870 ( -4.466 -1.684 3.246) 5.772 27.026 ( -3.063 -3.406 2.694) 5.314 27.715 ( 3.533 -5.539 -7.369) 9.872 27.892 ( 16.540 -14.358 -0.109) 21.903 28.061 ( -6.814 9.534 3.639) 12.271 28.356 ( -3.876 18.228 -2.813) 18.847 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 6.859 -0.000 -11.113) 13.059 1.143 ( -2.945 0.000 -13.395) 13.715 1.650 ( 2.727 -0.000 -7.549) 8.027 1.671 ( -2.723 0.000 2.097) 3.437 1.876 ( -5.306 0.000 2.865) 6.030 2.007 ( -10.401 0.000 0.204) 10.403 2.195 ( 3.372 -0.000 11.001) 11.506 2.356 ( 0.741 -0.000 0.807) 1.096 2.484 ( 4.317 -0.000 -6.480) 7.786 2.859 ( 5.841 -0.000 9.067) 10.785 2.931 ( -4.675 0.000 -0.048) 4.675 3.060 ( -1.373 0.000 -2.759) 3.082 3.085 ( -4.407 0.000 -0.855) 4.489 3.186 ( -8.865 0.000 -5.599) 10.486 3.276 ( 10.102 -0.000 0.518) 10.115 3.393 ( -1.046 0.000 -1.572) 1.888 3.764 ( -0.967 0.000 10.496) 10.540 3.765 ( -3.282 0.000 -2.662) 4.226 4.074 ( -5.291 0.000 -4.057) 6.668 4.117 ( 6.176 -0.000 -2.582) 6.694 4.452 ( 2.595 -0.000 2.466) 3.580 4.613 ( -0.441 0.000 -2.102) 2.148 4.708 ( 0.173 -0.000 -4.125) 4.128 4.722 ( 2.904 -0.000 -8.124) 8.628 5.094 ( 2.735 -0.000 -4.448) 5.222 5.118 ( -3.705 0.000 -4.866) 6.116 5.355 ( -4.184 0.000 1.604) 4.481 5.357 ( 6.515 -0.000 7.720) 10.101 5.456 ( 0.349 -0.000 -0.856) 0.924 5.557 ( 7.753 -0.000 9.539) 12.293 5.807 ( -3.748 0.000 6.267) 7.302 5.931 ( 3.427 -0.000 -4.982) 6.047 5.994 ( -7.197 0.000 9.137) 11.630 6.072 ( 0.878 -0.000 -4.938) 5.015 6.311 ( -5.920 0.000 4.083) 7.191 6.316 ( -7.464 0.000 0.791) 7.506 6.323 ( 0.402 -0.000 3.803) 3.824 6.442 ( 9.603 -0.000 3.595) 10.254 6.512 ( 5.294 -0.000 -0.760) 5.348 6.798 ( -1.689 0.000 -2.886) 3.344 6.988 ( 2.355 -0.000 -2.201) 3.223 7.141 ( 1.601 -0.000 -3.662) 3.997 7.239 ( 0.372 -0.000 3.116) 3.138 7.286 ( -5.768 0.000 0.999) 5.853 7.414 ( -5.283 0.000 6.892) 8.684 7.638 ( -0.962 0.000 0.897) 1.316 7.661 ( 1.601 -0.000 -0.069) 1.602 8.115 ( 5.322 -0.000 -10.916) 12.144 8.574 ( -2.365 0.000 1.791) 2.967 8.960 ( -3.905 0.000 2.558) 4.668 9.286 ( -1.121 0.000 -1.680) 2.019 9.317 ( -1.681 0.000 -14.048) 14.148 9.844 ( 2.276 -0.000 0.172) 2.282 9.957 ( 2.155 -0.000 4.685) 5.157 10.173 ( 1.881 -0.000 7.692) 7.919 10.294 ( -6.827 0.000 9.734) 11.889 10.590 ( -0.633 0.000 -1.462) 1.593 10.604 ( 5.401 -0.000 7.636) 9.353 10.741 ( -0.886 0.000 -3.475) 3.586 10.757 ( -7.768 0.000 -0.658) 7.795 11.087 ( 1.623 -0.000 -5.315) 5.557 11.684 ( 7.122 -0.000 -8.789) 11.312 11.854 ( -7.783 0.000 -1.678) 7.962 11.949 ( 0.736 -0.000 -6.524) 6.566 13.239 ( 10.729 -0.000 0.123) 10.730 13.248 ( -2.873 0.000 3.821) 4.781 13.771 ( -9.897 0.000 -6.392) 11.782 13.866 ( 5.035 -0.000 -4.577) 6.804 14.142 ( 1.944 -0.000 2.111) 2.870 14.430 ( -9.692 0.000 -3.747) 10.391 14.521 ( 1.300 -0.000 5.917) 6.058 14.627 ( 3.188 -0.000 3.976) 5.096 14.906 ( -0.222 0.000 -1.229) 1.249 14.973 ( 1.205 -0.000 -3.196) 3.416 15.274 ( 7.177 -0.000 8.537) 11.153 15.402 ( -3.148 0.000 4.136) 5.197 15.488 ( 0.501 -0.000 3.179) 3.219 15.591 ( -0.753 0.000 0.735) 1.052 15.608 ( -3.710 0.000 -2.856) 4.682 16.047 ( 5.975 -0.000 -2.194) 6.365 24.678 ( -1.070 0.000 0.086) 1.073 24.766 ( 1.961 -0.000 -1.628) 2.548 24.832 ( -1.420 0.000 1.062) 1.773 24.881 ( 0.006 -0.000 -0.822) 0.822 25.067 ( -2.294 0.000 -0.382) 2.325 25.360 ( -0.873 0.000 4.238) 4.327 25.509 ( -0.641 0.000 -4.350) 4.398 25.669 ( -3.479 0.000 -5.492) 6.501 25.988 ( -1.202 0.000 -0.378) 1.260 26.158 ( -1.333 0.000 -4.754) 4.937 26.226 ( -4.267 0.000 8.458) 9.473 26.452 ( 7.786 -0.000 3.447) 8.515 27.216 ( -1.026 0.000 1.146) 1.538 27.412 ( 1.681 -0.000 -4.956) 5.234 28.390 ( -3.036 0.000 16.019) 16.304 29.733 ( 9.615 -0.000 -11.982) 15.363 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 3.192 -18.351 -6.543) 19.742 1.212 ( -10.326 -11.033 -6.975) 16.643 1.728 ( 9.229 -8.682 -4.200) 13.349 1.809 ( -15.440 0.624 -0.111) 15.453 1.882 ( 0.546 -16.262 4.194) 16.803 1.987 ( -7.819 -11.351 -2.221) 13.961 2.306 ( 1.663 -3.554 4.130) 5.696 2.388 ( -0.602 -1.337 -9.017) 9.136 2.522 ( 2.163 -7.027 2.322) 7.711 2.843 ( -7.377 1.739 -0.366) 7.588 2.944 ( 2.432 4.889 -0.587) 5.492 2.960 ( 3.152 -0.409 6.808) 7.513 3.073 ( 2.100 0.491 -0.731) 2.277 3.237 ( -2.711 -9.055 -1.665) 9.598 3.332 ( 7.790 2.803 2.552) 8.663 3.466 ( -1.332 -8.916 -6.277) 10.985 3.743 ( -1.353 1.550 1.179) 2.371 3.788 ( 0.592 0.215 5.186) 5.225 4.030 ( -5.983 -4.196 0.034) 7.308 4.198 ( 3.708 -2.883 0.220) 4.702 4.487 ( -1.352 -0.338 -3.766) 4.016 4.578 ( -0.458 0.375 -7.793) 7.815 4.691 ( 1.333 -0.653 -1.360) 2.013 4.764 ( 5.872 -2.841 -3.747) 7.523 5.015 ( -0.735 3.578 -3.644) 5.160 5.092 ( 0.499 0.579 -5.315) 5.370 5.319 ( -3.140 0.920 0.161) 3.276 5.408 ( 1.923 4.078 -0.638) 4.553 5.475 ( 2.963 -1.336 10.891) 11.365 5.630 ( 3.219 1.895 6.724) 7.692 5.833 ( -3.403 -1.559 5.945) 7.025 5.921 ( 3.297 0.553 -0.929) 3.470 6.004 ( -4.542 -1.348 7.196) 8.616 6.050 ( -0.818 2.427 -2.951) 3.907 6.105 ( -3.047 5.824 -2.743) 7.122 6.252 ( -3.416 2.871 4.311) 6.205 6.430 ( 2.491 -1.361 5.934) 6.578 6.449 ( 2.352 4.864 4.639) 7.121 6.652 ( 5.689 -3.931 -4.161) 8.070 6.714 ( -2.672 4.317 -1.572) 5.315 7.007 ( -1.114 -2.062 -1.875) 3.002 7.152 ( 4.320 -1.181 -2.770) 5.266 7.261 ( -2.432 -3.490 -0.803) 4.329 7.356 ( 4.572 -5.929 1.629) 7.662 7.487 ( -2.819 -7.536 6.108) 10.102 7.645 ( -3.493 -2.125 2.054) 4.576 7.699 ( 1.195 -3.002 -0.106) 3.233 8.117 ( 1.533 -2.979 -9.424) 10.001 8.530 ( -1.506 2.786 3.716) 4.883 8.955 ( -3.081 -1.483 1.857) 3.891 9.254 ( 0.241 -1.633 -2.591) 3.072 9.417 ( 2.240 -12.517 -11.382) 17.066 9.847 ( 1.854 1.547 0.786) 2.540 9.983 ( 0.242 0.670 2.585) 2.681 10.246 ( -5.644 -4.421 5.455) 9.008 10.338 ( -7.616 -5.862 8.836) 13.055 10.533 ( -2.447 2.785 1.735) 4.093 10.687 ( -2.930 -2.770 -2.394) 4.689 10.718 ( -4.134 -4.769 0.756) 6.357 10.848 ( 13.858 -4.452 3.807) 15.045 11.082 ( 2.943 -0.741 -5.783) 6.531 11.606 ( 0.826 9.192 -5.805) 10.903 11.778 ( 1.743 1.824 -5.093) 5.683 11.913 ( 4.169 2.582 -6.702) 8.305 13.199 ( -9.253 1.571 3.695) 10.087 13.343 ( 10.635 0.339 2.267) 10.879 13.591 ( -6.908 5.716 -8.606) 12.428 13.885 ( 3.250 -0.008 -4.635) 5.661 14.145 ( 0.948 2.604 4.130) 4.974 14.354 ( -3.893 0.948 -1.035) 4.138 14.464 ( -2.045 8.023 5.254) 9.806 14.609 ( 1.621 6.391 0.213) 6.597 14.829 ( -0.036 6.777 -0.749) 6.818 14.899 ( 1.100 5.265 -2.371) 5.878 15.287 ( -1.898 3.623 3.263) 5.233 15.459 ( -4.112 1.090 2.335) 4.852 15.509 ( -2.153 -3.494 5.299) 6.702 15.543 ( -0.615 -2.508 2.123) 3.343 15.680 ( 3.607 -3.868 -1.796) 5.586 16.088 ( 7.092 0.675 -0.708) 7.159 24.674 ( -1.248 -0.798 -0.208) 1.495 24.775 ( 1.912 -0.033 -1.220) 2.268 24.825 ( -1.377 -0.088 0.884) 1.638 24.882 ( 0.365 -0.253 -0.788) 0.905 25.048 ( -2.580 0.069 0.898) 2.732 25.386 ( -0.039 -0.492 3.604) 3.637 25.478 ( 0.189 -0.563 -4.744) 4.781 25.622 ( -3.770 -1.900 -4.549) 6.206 25.895 ( -1.530 5.373 -0.043) 5.586 26.101 ( -2.269 1.972 -3.388) 4.530 26.421 ( 0.999 -14.289 5.921) 15.500 26.599 ( 6.602 -6.605 3.306) 9.906 27.250 ( -0.158 -4.185 0.744) 4.254 27.426 ( 2.396 -2.531 -4.539) 5.723 28.406 ( -5.961 3.270 15.550) 16.972 29.599 ( 6.567 15.877 -11.958) 20.934 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -5.482 -7.188 5.171) 10.414 1.514 ( -5.050 -22.216 -2.454) 22.914 1.721 ( -6.213 -4.705 3.230) 8.437 1.884 ( -7.352 -6.487 -9.738) 13.819 2.062 ( -0.786 -11.526 -7.921) 14.007 2.245 ( -1.942 -14.664 0.956) 14.823 2.366 ( 5.579 -4.920 -4.192) 8.538 2.481 ( 0.996 -7.860 -0.279) 7.928 2.729 ( -1.418 -11.121 2.915) 11.584 2.776 ( -0.038 2.231 2.017) 3.008 2.902 ( 3.791 0.845 3.895) 5.501 3.015 ( 2.346 1.219 0.758) 2.750 3.129 ( -1.046 -6.076 2.105) 6.515 3.321 ( -0.524 -2.232 3.480) 4.167 3.400 ( 7.335 -1.947 -1.573) 7.750 3.606 ( 3.565 -7.853 -2.647) 9.021 3.713 ( 1.769 1.779 3.997) 4.719 3.839 ( 0.083 -3.376 -0.764) 3.462 4.069 ( -5.879 -3.665 -0.672) 6.960 4.228 ( -0.473 2.293 0.302) 2.361 4.360 ( -6.137 5.385 -6.731) 10.581 4.555 ( 0.564 -3.202 -7.630) 8.294 4.637 ( -6.598 1.595 -5.389) 8.667 4.902 ( 6.342 -2.958 -0.739) 7.036 5.022 ( 5.313 -3.825 1.084) 6.636 5.075 ( 4.830 -1.161 -4.053) 6.411 5.270 ( -0.570 2.560 -0.115) 2.625 5.349 ( 1.054 2.704 -1.391) 3.219 5.524 ( -2.672 2.077 8.765) 9.396 5.677 ( 1.608 -0.940 6.965) 7.210 5.812 ( -5.832 0.136 1.737) 6.087 5.869 ( -0.921 7.063 -0.666) 7.154 6.003 ( -0.542 1.027 -0.900) 1.469 6.017 ( 3.675 -0.572 -0.264) 3.729 6.106 ( -1.185 -1.869 6.219) 6.601 6.226 ( 1.350 1.892 5.164) 5.663 6.377 ( -1.266 3.774 5.801) 7.035 6.469 ( -0.900 0.410 1.684) 1.953 6.624 ( -1.261 3.112 -0.184) 3.362 6.693 ( 5.136 0.364 -5.160) 7.289 7.044 ( -0.307 -4.273 -1.918) 4.694 7.190 ( 3.016 -0.782 -0.316) 3.132 7.372 ( 2.335 -8.203 -3.787) 9.332 7.489 ( 3.661 -4.317 0.104) 5.661 7.652 ( -0.934 -8.163 3.835) 9.067 7.679 ( -5.705 -4.075 2.164) 7.337 7.789 ( 0.862 -6.280 0.250) 6.344 8.141 ( -0.292 -2.873 -4.738) 5.548 8.533 ( -2.147 -1.285 7.464) 7.873 8.974 ( -2.690 -2.035 1.759) 3.804 9.289 ( 0.675 -2.424 -1.069) 2.734 9.606 ( 7.852 -7.678 -7.041) 13.045 9.836 ( 1.632 1.344 -0.672) 2.219 9.981 ( -1.994 -0.984 1.902) 2.926 10.262 ( -9.436 -4.205 -4.418) 11.236 10.385 ( -5.042 1.570 9.787) 11.120 10.533 ( 0.141 -2.343 2.198) 3.216 10.642 ( -8.206 -3.732 -2.833) 9.449 10.855 ( 4.199 -4.435 -2.291) 6.523 11.086 ( -0.471 -9.636 10.301) 14.113 11.112 ( 7.063 -0.890 -6.683) 9.764 11.368 ( 6.016 13.420 -5.475) 15.693 11.736 ( 10.994 8.925 0.912) 14.190 11.896 ( 2.555 -3.943 -10.508) 11.511 13.090 ( -12.755 2.082 4.671) 13.742 13.359 ( 0.304 5.410 0.917) 5.495 13.425 ( 3.397 5.124 -8.503) 10.493 13.858 ( 3.047 3.660 -5.037) 6.932 14.150 ( -0.658 1.751 8.602) 8.803 14.228 ( -1.587 6.685 1.392) 7.011 14.359 ( -2.940 4.633 2.052) 5.858 14.511 ( 2.664 1.990 -1.932) 3.846 14.669 ( -2.181 9.330 -0.815) 9.616 14.825 ( 1.780 3.321 -2.160) 4.343 15.201 ( -5.364 4.324 3.594) 7.771 15.377 ( -3.837 1.057 -2.939) 4.947 15.533 ( -1.871 0.447 4.810) 5.181 15.677 ( -0.839 -6.050 5.318) 8.098 15.745 ( 2.974 -1.900 -3.502) 4.972 16.116 ( 6.560 2.882 -0.374) 7.175 24.685 ( -1.093 -1.530 0.040) 1.880 24.782 ( 1.482 0.778 0.187) 1.685 24.825 ( -1.218 -1.019 -0.275) 1.612 24.886 ( 0.858 -0.141 -0.528) 1.017 25.033 ( -2.661 -0.017 2.417) 3.594 25.381 ( 1.310 1.104 -3.141) 3.578 25.518 ( 0.646 -2.983 1.427) 3.369 25.636 ( -1.298 -3.693 -0.867) 4.010 25.816 ( -1.783 1.714 0.586) 2.542 26.024 ( -0.928 2.547 -4.166) 4.970 26.695 ( 1.829 -9.666 5.103) 11.082 26.799 ( 3.247 -8.617 1.608) 9.348 27.390 ( 3.225 -10.323 -0.619) 10.833 27.507 ( 4.901 -6.087 -3.952) 8.757 28.335 ( -7.501 6.275 12.340) 15.745 29.180 ( -1.589 25.054 -10.939) 27.384 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -6.130 -2.743 5.613) 8.753 1.748 ( -5.142 -13.715 2.882) 14.928 1.826 ( -9.316 -3.634 -7.715) 12.630 1.936 ( 6.118 -8.979 2.605) 11.173 2.251 ( 3.124 -10.803 -6.769) 13.126 2.373 ( 0.616 -3.274 -9.916) 10.460 2.472 ( -3.215 -6.060 8.465) 10.896 2.567 ( 2.396 0.818 0.578) 2.597 2.810 ( -2.311 -5.740 4.247) 7.505 2.933 ( 1.306 -5.465 -1.303) 5.768 2.989 ( 1.596 -6.179 1.727) 6.611 3.010 ( 2.031 -0.457 3.249) 3.858 3.211 ( -2.422 -2.425 -2.094) 4.016 3.352 ( -0.120 3.605 2.465) 4.369 3.494 ( 5.414 -1.389 6.439) 8.526 3.697 ( -0.614 1.625 -4.149) 4.498 3.767 ( 10.989 -3.730 -0.989) 11.647 3.866 ( -0.325 -0.167 -4.520) 4.535 4.024 ( -7.051 0.549 -1.766) 7.290 4.153 ( 2.159 0.282 3.759) 4.344 4.279 ( -2.251 0.454 0.767) 2.421 4.534 ( -8.239 -2.659 -4.770) 9.884 4.597 ( -1.202 -5.093 -7.636) 9.257 4.928 ( 3.643 2.655 -0.183) 4.511 5.079 ( -1.189 -3.243 -6.625) 7.471 5.227 ( 6.727 -1.050 -2.285) 7.182 5.243 ( 4.943 -0.912 5.397) 7.376 5.314 ( 1.437 1.989 -0.418) 2.489 5.502 ( -0.588 2.948 5.160) 5.972 5.634 ( -4.303 3.903 -1.338) 5.961 5.752 ( -6.454 3.327 -0.513) 7.280 5.834 ( 1.001 -0.731 7.705) 7.804 5.981 ( 1.047 0.213 -0.686) 1.269 6.014 ( -1.556 -0.509 -1.743) 2.392 6.144 ( 0.153 1.613 2.273) 2.791 6.219 ( 2.220 2.591 4.646) 5.765 6.392 ( -1.131 2.783 -0.352) 3.025 6.450 ( 2.291 -1.055 8.079) 8.464 6.580 ( 0.421 1.072 -1.713) 2.064 6.698 ( 2.329 -0.258 -2.679) 3.559 7.138 ( 2.111 -6.362 -2.353) 7.104 7.236 ( 0.945 -2.155 1.273) 2.676 7.497 ( 1.377 -4.223 -1.329) 4.636 7.566 ( -1.758 -2.969 -2.312) 4.154 7.687 ( -3.152 -1.648 0.284) 3.568 7.775 ( -1.276 -4.900 -0.446) 5.083 7.924 ( 1.600 -6.065 0.539) 6.295 8.152 ( 0.248 -0.180 -1.953) 1.977 8.590 ( -3.286 -1.662 11.399) 11.979 8.996 ( -2.187 -1.827 1.610) 3.273 9.337 ( 2.026 -2.026 -0.291) 2.880 9.715 ( 3.562 0.263 3.118) 4.741 9.829 ( 4.692 0.635 -4.453) 6.500 10.017 ( -6.552 -4.803 -0.592) 8.145 10.207 ( -2.124 -1.864 -12.065) 12.391 10.367 ( -2.356 1.440 9.605) 9.994 10.516 ( -2.157 1.878 -1.867) 3.415 10.712 ( -3.228 -6.593 2.682) 7.815 10.887 ( 0.431 0.923 1.635) 1.926 10.965 ( -6.203 9.085 -3.203) 11.458 11.250 ( 2.577 -6.674 -5.886) 9.265 11.379 ( 14.347 2.839 5.081) 15.483 11.682 ( 12.152 6.774 1.902) 14.042 11.975 ( -2.493 -8.978 -8.889) 12.877 12.983 ( -7.933 2.963 6.719) 10.810 13.267 ( -0.996 5.710 -4.107) 7.104 13.299 ( 0.613 3.295 -4.457) 5.576 13.763 ( 1.012 4.931 -3.195) 5.962 14.071 ( -1.701 2.259 -0.072) 2.829 14.249 ( 4.282 4.913 2.903) 7.135 14.320 ( 0.346 -3.405 8.275) 8.955 14.469 ( -6.860 5.158 1.203) 8.667 14.580 ( 5.220 -3.267 -2.840) 6.781 14.773 ( 0.463 2.418 -1.806) 3.054 15.090 ( -6.027 4.494 4.153) 8.588 15.330 ( -1.759 0.301 -2.215) 2.845 15.531 ( 0.309 0.847 1.860) 2.067 15.727 ( 1.349 2.502 1.222) 3.094 15.804 ( -1.854 -6.236 -3.653) 7.461 16.092 ( 4.028 4.139 -0.398) 5.789 24.706 ( -0.768 -1.407 0.195) 1.614 24.774 ( 1.025 1.417 0.542) 1.831 24.834 ( -1.047 -1.282 -0.574) 1.752 24.897 ( 0.975 -0.268 -0.051) 1.012 25.032 ( -2.441 -0.684 3.511) 4.330 25.365 ( 3.047 0.429 -3.945) 5.003 25.553 ( -1.723 -0.023 3.222) 3.654 25.687 ( -1.880 -2.608 -3.756) 4.944 25.835 ( 3.144 -1.933 6.598) 7.560 25.965 ( 0.466 1.355 -3.450) 3.735 26.833 ( -0.319 -2.743 4.112) 4.953 26.933 ( -1.508 -5.013 -1.175) 5.365 27.597 ( 4.747 -8.118 -5.502) 10.895 27.730 ( 10.245 -14.135 -3.027) 17.718 28.193 ( -7.549 8.291 9.052) 14.410 28.653 ( -7.336 22.025 -6.114) 24.006 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -9.682 0.000 -14.719) 17.618 0.963 ( -1.075 0.000 -8.959) 9.023 1.601 ( -24.599 0.000 -3.104) 24.794 1.747 ( 3.056 -0.000 6.551) 7.229 1.774 ( 3.015 -0.000 0.638) 3.082 1.784 ( -0.817 0.000 -1.430) 1.647 2.275 ( -11.099 0.000 -10.698) 15.415 2.373 ( 2.589 -0.000 -1.545) 3.015 2.412 ( -4.835 0.000 6.971) 8.484 2.726 ( -11.206 0.000 -3.618) 11.776 3.030 ( 0.881 -0.000 -0.145) 0.893 3.071 ( 9.305 -0.000 -5.101) 10.611 3.112 ( 7.074 -0.000 2.250) 7.423 3.140 ( 3.919 -0.000 14.460) 14.982 3.346 ( -0.819 0.000 -2.567) 2.694 3.480 ( 11.099 -0.000 2.192) 11.313 3.714 ( 1.101 -0.000 -2.523) 2.753 3.860 ( 0.082 -0.000 8.256) 8.256 3.918 ( -7.798 0.000 -1.875) 8.020 4.177 ( 2.602 -0.000 -5.280) 5.886 4.471 ( -1.437 0.000 1.147) 1.839 4.524 ( -2.151 0.000 -8.733) 8.994 4.692 ( -0.593 0.000 -3.974) 4.018 4.814 ( 11.272 -0.000 1.475) 11.368 4.999 ( -2.135 0.000 -6.091) 6.454 5.101 ( 3.877 -0.000 -2.521) 4.624 5.298 ( -4.022 0.000 1.524) 4.301 5.445 ( 0.098 -0.000 -3.032) 3.033 5.542 ( 4.116 -0.000 7.378) 8.448 5.694 ( -0.947 0.000 2.535) 2.706 5.803 ( -5.426 0.000 8.834) 10.367 5.935 ( -2.830 0.000 3.563) 4.550 5.997 ( -0.186 0.000 4.739) 4.742 6.052 ( 2.156 -0.000 -5.800) 6.188 6.065 ( -11.535 0.000 -2.205) 11.744 6.265 ( -3.603 0.000 3.139) 4.778 6.537 ( 6.055 -0.000 13.727) 15.003 6.584 ( 4.657 -0.000 -0.583) 4.693 6.628 ( 9.465 -0.000 -0.089) 9.465 6.718 ( -1.093 0.000 -6.146) 6.242 6.979 ( -1.620 0.000 -1.581) 2.264 7.097 ( -0.910 0.000 -6.939) 6.999 7.250 ( 1.259 -0.000 0.918) 1.558 7.366 ( 8.951 -0.000 4.050) 9.825 7.428 ( -1.417 0.000 6.684) 6.833 7.606 ( -3.498 0.000 0.936) 3.622 7.687 ( 1.138 -0.000 0.121) 1.144 8.034 ( 0.594 -0.000 -12.130) 12.144 8.608 ( 1.040 -0.000 5.796) 5.888 8.922 ( -1.548 0.000 -0.475) 1.619 9.175 ( 0.014 -0.000 -10.073) 10.073 9.249 ( -1.434 0.000 -1.122) 1.820 9.880 ( 1.731 -0.000 -0.220) 1.745 10.022 ( 0.470 -0.000 4.229) 4.255 10.153 ( -9.706 0.000 0.054) 9.706 10.226 ( -13.026 0.000 9.628) 16.198 10.598 ( -5.681 0.000 -3.331) 6.586 10.603 ( -3.411 0.000 3.532) 4.910 10.646 ( 4.557 -0.000 4.643) 6.506 10.962 ( 8.017 -0.000 7.245) 10.805 11.088 ( 11.273 -0.000 -7.640) 13.618 11.696 ( 6.246 -0.000 -12.155) 13.666 11.710 ( -1.521 0.000 -6.440) 6.617 12.005 ( 10.146 -0.000 -0.780) 10.176 13.125 ( -16.745 0.000 5.336) 17.575 13.452 ( 11.186 -0.000 2.771) 11.524 13.522 ( -5.973 0.000 -15.406) 16.523 13.870 ( -0.872 0.000 -0.995) 1.323 14.232 ( 3.412 -0.000 5.133) 6.164 14.297 ( -1.826 0.000 -0.706) 1.958 14.634 ( 3.401 -0.000 8.451) 9.110 14.683 ( 1.161 -0.000 0.016) 1.161 14.891 ( -0.635 0.000 -0.609) 0.880 14.917 ( -3.670 0.000 -4.243) 5.610 15.285 ( -12.004 0.000 1.949) 12.162 15.418 ( -0.704 0.000 7.946) 7.977 15.505 ( -2.538 0.000 3.333) 4.189 15.573 ( 2.508 -0.000 -3.620) 4.404 15.663 ( 6.493 -0.000 2.145) 6.838 16.140 ( 7.361 -0.000 -2.743) 7.856 24.653 ( -1.466 0.000 -0.266) 1.490 24.778 ( 1.568 -0.000 -2.139) 2.653 24.826 ( -0.727 0.000 1.654) 1.807 24.878 ( 0.420 -0.000 -0.456) 0.619 25.036 ( -2.888 0.000 3.185) 4.300 25.402 ( 0.567 -0.000 4.150) 4.188 25.432 ( -1.173 0.000 -7.851) 7.938 25.548 ( -2.971 0.000 -3.636) 4.695 25.948 ( -2.691 0.000 -1.010) 2.874 26.136 ( 1.351 -0.000 -1.835) 2.278 26.243 ( -3.453 0.000 6.808) 7.633 26.619 ( 8.641 -0.000 0.184) 8.643 27.217 ( -0.136 0.000 0.997) 1.006 27.399 ( 2.272 -0.000 -3.770) 4.402 28.464 ( -8.448 0.000 17.319) 19.270 29.756 ( 8.984 -0.000 -14.430) 16.999 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -3.920 -23.330 -6.394) 24.506 1.060 ( -7.506 -18.015 -2.808) 19.717 1.433 ( -24.721 -9.439 -2.532) 26.583 1.678 ( -14.634 1.881 -7.206) 16.420 1.918 ( 5.445 -11.551 -1.056) 12.814 1.945 ( -4.462 -10.398 1.700) 11.442 2.216 ( 1.657 -13.017 -2.814) 13.421 2.411 ( 2.525 -0.818 1.782) 3.197 2.527 ( -3.249 -8.567 2.491) 9.495 2.698 ( -7.424 -8.359 0.304) 11.184 2.978 ( 2.373 4.325 -2.858) 5.701 3.113 ( 2.870 2.958 0.486) 4.150 3.162 ( 8.314 3.574 5.293) 10.484 3.246 ( 1.914 -2.484 4.592) 5.560 3.448 ( 2.311 -8.432 3.752) 9.514 3.514 ( 11.330 4.222 0.965) 12.129 3.739 ( 2.291 -2.337 -4.342) 5.437 3.859 ( 0.822 2.408 4.486) 5.157 3.965 ( -1.603 -6.931 3.347) 7.862 4.189 ( 0.238 -2.731 -6.266) 6.839 4.400 ( -4.634 5.927 -4.212) 8.622 4.469 ( -3.089 -0.850 -4.640) 5.638 4.616 ( -3.876 3.095 -5.642) 7.512 4.916 ( 5.238 -1.951 -2.263) 6.030 4.994 ( 6.517 -0.390 -1.407) 6.679 5.131 ( 6.483 -0.379 1.284) 6.620 5.278 ( -1.953 -0.150 0.905) 2.158 5.390 ( -1.840 2.951 -3.394) 4.860 5.583 ( -0.212 1.653 4.360) 4.668 5.687 ( -2.464 -1.307 3.471) 4.452 5.763 ( -7.411 2.211 1.116) 7.814 5.911 ( -9.533 -1.108 1.175) 9.669 5.989 ( 1.197 2.339 -0.296) 2.644 6.025 ( 1.378 -0.986 -2.862) 3.326 6.093 ( 0.302 -3.937 9.157) 9.972 6.274 ( 0.396 -1.363 3.294) 3.587 6.499 ( 1.738 7.789 -0.348) 7.988 6.587 ( 4.156 7.162 8.970) 12.208 6.675 ( 0.257 1.875 0.710) 2.021 6.728 ( 7.525 0.171 -3.997) 8.522 6.957 ( -1.572 -2.756 -1.731) 3.614 7.166 ( 1.758 -8.936 -7.600) 11.862 7.255 ( 2.746 0.840 1.501) 3.240 7.481 ( 5.204 -2.173 2.346) 6.108 7.524 ( 0.435 -5.919 4.416) 7.398 7.601 ( -2.612 -2.266 1.129) 3.637 7.703 ( -0.551 -2.118 -0.775) 2.322 8.033 ( 0.980 -5.350 -9.342) 10.810 8.582 ( -0.773 3.590 10.865) 11.469 8.932 ( -1.503 -1.387 1.178) 2.361 9.245 ( -0.695 -2.066 0.091) 2.182 9.385 ( 8.600 -19.412 -10.040) 23.486 9.869 ( 0.427 1.843 -0.826) 2.064 9.991 ( -6.616 2.859 7.109) 10.123 10.085 ( -7.899 -3.025 -6.470) 10.649 10.285 ( -10.062 -10.585 8.190) 16.744 10.532 ( -1.705 1.574 -2.038) 3.088 10.563 ( -1.401 1.833 1.868) 2.968 10.782 ( 2.921 -5.445 4.355) 7.560 11.029 ( -0.382 -2.542 4.353) 5.055 11.167 ( 7.235 1.597 -2.397) 7.788 11.612 ( 15.093 6.807 -6.279) 17.708 11.743 ( 3.271 -3.239 -11.044) 11.965 12.038 ( 11.472 6.884 2.265) 13.569 12.996 ( -18.142 -0.116 5.118) 18.850 13.371 ( -4.205 1.991 -12.721) 13.545 13.536 ( 9.206 2.618 -1.711) 9.723 13.860 ( -2.664 -0.539 -0.551) 2.773 14.239 ( 2.995 2.452 7.009) 8.007 14.333 ( 1.145 -1.048 1.623) 2.246 14.475 ( -4.556 16.351 2.570) 17.167 14.653 ( 2.297 7.705 4.018) 8.988 14.818 ( -0.628 6.521 -0.830) 6.603 14.868 ( -0.573 1.064 -3.720) 3.912 15.199 ( -8.438 0.293 1.505) 8.576 15.387 ( -4.826 6.259 -0.534) 7.922 15.523 ( -3.470 -1.776 4.799) 6.183 15.560 ( 1.889 -4.379 1.479) 4.993 15.767 ( 4.137 -1.445 0.696) 4.437 16.193 ( 7.109 0.093 -3.831) 8.076 24.651 ( -1.330 -1.102 0.300) 1.753 24.785 ( 1.053 -0.748 -2.078) 2.447 24.824 ( -0.192 0.740 1.783) 1.940 24.885 ( 0.693 -0.403 -0.319) 0.863 25.030 ( -3.100 0.442 5.664) 6.472 25.382 ( 0.731 -0.004 -5.578) 5.626 25.469 ( 0.704 -3.719 3.009) 4.835 25.546 ( -1.107 -3.281 -2.248) 4.128 25.872 ( -2.194 3.804 2.223) 4.921 26.043 ( -1.125 3.672 -2.329) 4.491 26.493 ( 1.902 -17.186 2.864) 17.527 26.722 ( 6.236 -4.164 -1.220) 7.597 27.266 ( 1.137 -5.234 0.617) 5.391 27.434 ( 3.409 -3.550 -3.133) 5.834 28.435 ( -9.628 4.283 15.621) 18.843 29.532 ( 1.792 21.460 -17.212) 27.569 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -15.119 -7.095 6.010) 17.749 1.332 ( -12.839 -20.578 -3.441) 24.498 1.583 ( -5.013 -17.943 -4.619) 19.194 1.684 ( -2.645 -21.356 2.154) 21.627 2.068 ( -4.664 -8.550 -1.913) 9.926 2.168 ( 2.766 -11.044 -2.304) 11.616 2.416 ( -1.049 -1.329 -0.272) 1.715 2.528 ( 6.992 -10.894 -1.958) 13.092 2.668 ( -2.549 -9.197 -1.266) 9.628 2.850 ( 0.396 -4.172 6.590) 7.810 2.938 ( -2.811 -5.300 -1.474) 6.178 3.058 ( -0.101 2.818 2.093) 3.512 3.193 ( 5.923 2.618 4.882) 8.109 3.334 ( 1.290 -3.765 1.116) 4.134 3.558 ( 10.843 -0.443 -2.943) 11.244 3.656 ( 0.958 -7.873 3.040) 8.493 3.761 ( 2.812 1.465 -3.837) 4.978 3.875 ( 0.537 0.159 6.667) 6.690 4.055 ( 3.546 2.746 2.893) 5.337 4.203 ( -1.241 2.019 -0.627) 2.452 4.232 ( -3.807 -3.560 -2.853) 5.942 4.433 ( -5.153 -0.290 -5.615) 7.627 4.474 ( -3.084 2.710 -8.613) 9.542 4.981 ( 1.436 -2.173 -6.236) 6.758 5.003 ( 3.247 1.623 1.768) 4.038 5.242 ( 4.315 -0.960 -2.837) 5.253 5.303 ( 5.735 -1.557 1.952) 6.255 5.324 ( -0.774 -0.330 2.051) 2.217 5.563 ( -2.296 -0.232 0.712) 2.415 5.635 ( -5.116 4.531 2.607) 7.314 5.741 ( -4.743 -2.464 1.132) 5.464 5.843 ( -1.498 2.140 -3.545) 4.403 5.944 ( -6.034 -1.212 0.004) 6.154 6.009 ( 0.917 2.586 -1.355) 3.060 6.219 ( 4.789 0.269 5.088) 6.992 6.336 ( 3.069 -0.646 5.168) 6.045 6.453 ( 0.331 -1.971 4.743) 5.147 6.474 ( 2.994 9.241 2.012) 9.920 6.643 ( 0.742 4.278 2.607) 5.065 6.735 ( 4.640 2.091 -2.413) 5.633 7.024 ( -0.270 -5.717 -0.561) 5.750 7.245 ( 3.100 -0.793 -1.787) 3.665 7.346 ( 0.784 -8.651 -4.091) 9.601 7.539 ( -0.763 0.234 0.109) 0.805 7.614 ( -2.380 -3.437 0.233) 4.187 7.649 ( -0.836 -6.428 -0.460) 6.498 7.813 ( 2.786 -8.395 0.928) 8.894 8.100 ( 0.682 -4.115 -3.987) 5.771 8.627 ( 0.011 -0.261 13.784) 13.787 8.949 ( -2.146 -1.615 1.378) 3.019 9.291 ( -0.181 -3.766 0.587) 3.816 9.733 ( 12.460 -8.462 -1.702) 15.157 9.828 ( 0.725 0.223 -4.990) 5.047 9.904 ( -12.747 0.703 3.285) 13.182 10.087 ( 1.785 -4.672 -6.561) 8.249 10.406 ( -7.897 -4.908 5.562) 10.835 10.492 ( -0.974 0.286 -3.197) 3.354 10.568 ( 0.946 -2.503 1.828) 3.240 10.885 ( -0.078 -2.256 2.365) 3.269 11.048 ( -5.177 7.483 -3.414) 9.719 11.126 ( -0.238 -5.003 2.828) 5.752 11.660 ( 17.887 7.400 2.261) 19.489 11.781 ( 4.673 -5.957 -11.431) 13.711 11.992 ( 12.981 11.211 4.055) 17.625 12.923 ( -10.140 -3.346 4.456) 11.570 13.284 ( -0.091 -0.387 -7.320) 7.331 13.424 ( -0.319 12.401 -6.353) 13.938 13.813 ( -4.094 2.800 -1.078) 5.076 14.156 ( -5.691 11.115 3.055) 12.855 14.310 ( 2.496 -1.735 8.897) 9.402 14.344 ( -1.308 1.049 1.259) 2.097 14.527 ( -1.262 6.822 1.430) 7.084 14.690 ( 4.995 6.713 0.612) 8.390 14.819 ( 1.956 3.422 -2.623) 4.734 15.120 ( -7.694 2.805 3.554) 8.927 15.281 ( -3.512 -0.393 -3.081) 4.688 15.554 ( -1.125 -0.658 3.399) 3.641 15.667 ( -0.309 -5.761 -0.440) 5.786 15.781 ( 0.285 1.619 0.026) 1.644 16.183 ( 3.894 3.415 -4.747) 7.026 24.671 ( -1.048 -1.761 0.799) 2.199 24.794 ( 0.582 -0.572 -2.230) 2.375 24.817 ( -0.082 0.809 1.815) 1.989 24.899 ( 0.993 -0.459 -0.199) 1.112 25.026 ( -3.037 0.315 5.511) 6.300 25.380 ( 3.603 -0.063 -3.243) 4.848 25.543 ( -0.730 -1.952 2.897) 3.569 25.598 ( -0.959 -3.465 -3.340) 4.907 25.870 ( 1.617 -1.006 7.287) 7.531 25.984 ( 2.200 1.492 -1.478) 3.041 26.774 ( 3.767 -8.396 -0.568) 9.220 26.834 ( 2.428 -4.583 -0.975) 5.277 27.445 ( 4.661 -10.845 -2.493) 12.065 27.565 ( 5.928 -9.463 -2.873) 11.530 28.318 ( -9.544 7.398 11.878) 16.939 28.941 ( -12.355 25.305 -14.301) 31.583 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -0.077 0.000 -5.046) 5.047 0.749 ( -15.074 0.000 -4.891) 15.848 1.047 ( -29.742 0.000 -13.422) 32.630 1.490 ( -36.592 0.000 -1.580) 36.626 1.784 ( 2.371 -0.000 5.433) 5.927 1.893 ( 4.968 -0.000 -0.515) 4.995 2.072 ( 3.751 -0.000 2.903) 4.743 2.439 ( 4.680 -0.000 1.461) 4.903 2.504 ( -0.133 0.000 8.131) 8.132 2.505 ( -9.703 0.000 -4.070) 10.522 2.999 ( -3.991 0.000 -1.577) 4.291 3.134 ( 5.769 -0.000 -6.226) 8.488 3.285 ( 2.171 -0.000 1.386) 2.576 3.354 ( 2.148 -0.000 12.068) 12.258 3.435 ( 11.185 -0.000 8.381) 13.977 3.659 ( 3.452 -0.000 5.351) 6.367 3.777 ( 14.010 -0.000 -8.631) 16.455 3.798 ( 0.746 -0.000 -7.812) 7.848 3.940 ( 0.295 -0.000 8.124) 8.129 4.139 ( 1.618 -0.000 -3.707) 4.044 4.372 ( -5.417 0.000 -7.760) 9.464 4.444 ( -4.270 0.000 2.514) 4.955 4.576 ( -5.356 0.000 -6.453) 8.386 4.899 ( 2.702 -0.000 -4.574) 5.312 5.088 ( 10.602 -0.000 2.451) 10.882 5.185 ( 5.159 -0.000 1.914) 5.503 5.256 ( -3.208 0.000 2.056) 3.810 5.365 ( -3.829 0.000 -5.891) 7.027 5.603 ( -5.466 0.000 -6.075) 8.172 5.631 ( 0.611 -0.000 1.020) 1.189 5.780 ( -14.557 0.000 3.121) 14.887 5.798 ( -5.110 0.000 4.882) 7.067 5.993 ( 1.148 -0.000 2.322) 2.590 6.023 ( 0.322 -0.000 0.974) 1.026 6.105 ( 2.482 -0.000 5.472) 6.009 6.272 ( -0.359 0.000 4.042) 4.058 6.586 ( -0.020 0.000 -3.634) 3.634 6.690 ( -1.527 0.000 4.087) 4.362 6.744 ( 8.521 -0.000 -3.562) 9.236 6.820 ( 10.458 -0.000 4.529) 11.397 6.928 ( -2.298 0.000 1.281) 2.631 6.999 ( -0.904 0.000 -7.745) 7.797 7.311 ( 3.724 -0.000 0.705) 3.790 7.505 ( 4.108 -0.000 3.564) 5.439 7.518 ( 0.027 -0.000 1.591) 1.592 7.553 ( -1.989 0.000 1.333) 2.394 7.738 ( 6.751 -0.000 0.315) 6.758 7.888 ( -1.651 0.000 -15.326) 15.415 8.765 ( 3.382 -0.000 23.070) 23.316 8.906 ( 0.836 -0.000 -1.260) 1.512 9.106 ( 1.088 -0.000 -5.319) 5.429 9.216 ( -1.559 0.000 -0.302) 1.588 9.884 ( -0.957 0.000 -1.614) 1.877 9.945 ( -9.763 0.000 -3.823) 10.485 10.062 ( -3.009 0.000 6.817) 7.451 10.067 ( -13.872 0.000 4.980) 14.739 10.515 ( 1.194 -0.000 -3.110) 3.332 10.608 ( -0.492 0.000 2.714) 2.758 10.792 ( 3.812 -0.000 6.469) 7.509 11.021 ( 0.524 -0.000 2.613) 2.665 11.207 ( -1.086 0.000 -2.388) 2.623 11.661 ( 5.612 -0.000 -13.587) 14.701 11.845 ( 24.372 -0.000 -0.304) 24.374 12.213 ( 10.023 -0.000 5.051) 11.224 12.855 ( -19.204 0.000 5.001) 19.845 13.269 ( -4.247 0.000 -14.655) 15.258 13.625 ( 8.342 -0.000 -4.018) 9.259 13.826 ( -6.232 0.000 4.766) 7.846 14.326 ( -1.370 0.000 6.390) 6.535 14.339 ( 6.153 -0.000 -0.241) 6.158 14.677 ( 0.032 -0.000 -2.554) 2.555 14.755 ( -8.575 0.000 -3.281) 9.181 14.812 ( 4.836 -0.000 12.066) 12.999 14.863 ( -1.692 0.000 -1.079) 2.007 15.138 ( -5.264 0.000 -0.100) 5.265 15.431 ( -7.114 0.000 7.801) 10.558 15.518 ( 2.706 -0.000 0.167) 2.711 15.577 ( 2.275 -0.000 -3.764) 4.398 15.773 ( 2.717 -0.000 2.243) 3.523 16.207 ( 6.607 -0.000 -9.885) 11.890 24.632 ( -1.241 0.000 0.947) 1.561 24.775 ( 0.639 -0.000 -1.742) 1.856 24.840 ( 0.271 -0.000 1.409) 1.435 24.886 ( 0.657 -0.000 0.075) 0.661 25.068 ( -1.947 0.000 15.164) 15.289 25.333 ( -0.805 0.000 -6.454) 6.504 25.459 ( 0.873 -0.000 4.193) 4.283 25.498 ( -0.471 0.000 -1.383) 1.461 25.881 ( -3.705 0.000 -0.433) 3.730 26.141 ( 1.227 -0.000 -1.829) 2.203 26.244 ( -3.149 0.000 3.805) 4.939 26.733 ( 6.769 -0.000 -3.037) 7.419 27.230 ( 0.330 -0.000 1.037) 1.088 27.416 ( 3.437 -0.000 -2.316) 4.145 28.469 ( -11.174 0.000 15.491) 19.100 29.689 ( 6.365 -0.000 -29.380) 30.061 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -18.080 -18.780 -0.323) 26.071 0.926 ( -13.444 -18.249 8.849) 24.332 1.011 ( -4.710 -30.744 -11.575) 33.187 1.268 ( -28.326 -12.507 10.780) 32.787 1.914 ( 1.877 -6.135 3.966) 7.543 2.008 ( 3.319 -9.331 -3.964) 10.668 2.306 ( 5.409 -16.961 0.699) 17.816 2.381 ( -4.987 0.892 -2.237) 5.538 2.530 ( 2.040 -4.588 1.436) 5.222 2.650 ( -3.740 -10.836 5.239) 12.604 2.949 ( -2.366 0.825 -3.548) 4.344 3.100 ( -1.902 3.542 -0.590) 4.063 3.309 ( 2.226 -0.113 4.899) 5.382 3.349 ( 3.183 3.077 4.335) 6.196 3.597 ( 2.227 -2.659 8.053) 8.768 3.674 ( 9.615 5.312 -9.220) 14.341 3.753 ( 4.335 -3.389 4.439) 7.070 3.935 ( 4.120 -0.572 0.942) 4.265 4.015 ( 4.086 -6.966 -2.495) 8.452 4.178 ( 6.840 0.809 -2.338) 7.273 4.251 ( -6.325 3.825 -5.849) 9.426 4.394 ( -3.042 2.636 0.311) 4.037 4.482 ( -3.117 1.950 -4.421) 5.750 4.934 ( 3.590 -2.465 -1.520) 4.613 5.112 ( 3.371 5.565 0.439) 6.521 5.229 ( 1.105 -2.132 0.091) 2.403 5.284 ( -1.869 -0.533 -2.405) 3.092 5.326 ( 3.265 -3.825 0.274) 5.037 5.509 ( -4.600 1.332 -6.436) 8.022 5.621 ( -7.476 -2.793 0.064) 7.981 5.711 ( -1.984 2.443 2.396) 3.955 5.761 ( -7.955 -3.528 -2.034) 8.936 5.944 ( -0.348 4.088 -2.246) 4.677 6.093 ( 2.619 4.184 2.464) 5.517 6.207 ( 3.399 -6.642 3.094) 8.077 6.329 ( -0.254 -4.273 6.569) 7.841 6.521 ( 3.759 5.212 3.469) 7.303 6.667 ( 2.560 4.772 -3.165) 6.273 6.743 ( 0.049 2.723 4.288) 5.080 6.806 ( 5.931 4.413 -4.026) 8.418 6.961 ( -0.025 -1.858 6.243) 6.513 7.100 ( 0.441 -9.359 -6.830) 11.594 7.321 ( 1.941 1.108 1.296) 2.584 7.497 ( -3.900 -2.071 1.422) 4.639 7.553 ( -1.485 -2.003 -0.260) 2.508 7.608 ( 1.158 1.766 -2.578) 3.333 7.709 ( 5.028 -5.543 0.090) 7.484 7.979 ( 3.061 -7.908 -6.754) 10.841 8.752 ( 1.209 6.051 19.505) 20.457 8.927 ( -0.963 -0.246 1.914) 2.157 9.224 ( -1.345 -2.607 0.078) 2.934 9.564 ( 21.402 -24.362 -3.199) 32.586 9.814 ( -10.777 1.820 5.133) 12.075 9.849 ( -2.719 0.604 -3.787) 4.701 10.006 ( -2.077 -2.943 -0.403) 3.624 10.167 ( -9.604 -8.955 3.883) 13.693 10.536 ( 5.625 -0.301 -1.765) 5.903 10.595 ( -0.050 2.094 3.656) 4.214 10.860 ( 0.337 -1.150 2.926) 3.162 11.069 ( -0.801 -0.932 1.063) 1.625 11.121 ( -2.608 3.011 0.432) 4.007 11.651 ( 1.522 -1.298 -11.457) 11.630 12.021 ( 25.545 6.560 5.451) 26.932 12.280 ( 11.458 4.958 7.064) 14.345 12.774 ( -10.787 -4.573 2.612) 12.004 13.204 ( -0.307 -2.851 -9.316) 9.747 13.577 ( 1.444 7.685 -11.790) 14.147 13.796 ( -8.908 0.609 6.794) 11.219 14.285 ( -8.246 4.411 -1.221) 9.432 14.385 ( 7.310 0.669 0.827) 7.387 14.458 ( -2.252 14.697 8.858) 17.307 14.673 ( -4.017 9.681 -0.563) 10.496 14.793 ( -1.270 3.779 -1.313) 4.197 14.879 ( 2.295 0.106 5.943) 6.372 15.101 ( -3.752 -0.063 0.353) 3.769 15.309 ( -2.751 9.980 -0.612) 10.371 15.509 ( -2.566 -3.929 2.974) 5.556 15.609 ( 1.597 -1.901 0.978) 2.668 15.783 ( -3.219 0.465 -0.577) 3.303 16.206 ( 3.516 -0.559 -13.289) 13.758 24.640 ( -1.012 -1.145 1.359) 2.045 24.776 ( 0.349 -0.478 -1.679) 1.781 24.843 ( 0.397 0.706 1.067) 1.340 24.897 ( 0.791 -0.506 0.033) 0.940 25.079 ( -2.741 4.875 12.903) 14.063 25.383 ( 4.809 -2.731 -0.113) 5.532 25.508 ( 0.122 -2.161 0.851) 2.326 25.527 ( -0.229 -2.970 0.835) 3.094 25.873 ( -2.131 -0.898 3.456) 4.159 26.068 ( 6.290 2.243 5.443) 8.615 26.562 ( 8.640 -21.450 -2.006) 23.212 26.794 ( 5.256 -2.837 -1.795) 6.237 27.297 ( 1.758 -7.036 0.551) 7.274 27.472 ( 4.208 -4.302 -2.421) 6.487 28.403 ( -11.646 4.619 12.330) 17.578 29.177 ( -18.282 27.937 -34.638) 48.109 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -17.385 0.000 12.550) 21.441 0.489 ( -16.798 0.000 14.446) 22.155 0.755 ( 8.086 -0.000 2.398) 8.434 0.971 ( -36.388 0.000 28.610) 46.288 1.877 ( 2.969 -0.000 -6.913) 7.523 1.927 ( 4.022 -0.000 -0.918) 4.126 2.163 ( 1.896 -0.000 1.078) 2.181 2.345 ( -5.439 0.000 1.404) 5.618 2.526 ( 0.993 -0.000 3.873) 3.999 2.536 ( -1.149 0.000 -0.834) 1.420 2.881 ( -7.374 0.000 0.789) 7.416 3.123 ( 0.671 -0.000 -6.105) 6.142 3.353 ( 0.463 -0.000 8.853) 8.865 3.445 ( -1.363 0.000 3.140) 3.423 3.538 ( -1.167 0.000 -8.958) 9.034 3.733 ( 2.877 -0.000 3.476) 4.512 3.865 ( 9.444 -0.000 -0.689) 9.469 3.918 ( 9.259 -0.000 -7.930) 12.191 4.062 ( 3.779 -0.000 6.720) 7.710 4.187 ( 5.289 -0.000 -0.969) 5.377 4.198 ( -5.493 0.000 -5.556) 7.813 4.426 ( -0.063 0.000 4.238) 4.238 4.440 ( -2.851 0.000 -2.992) 4.133 4.941 ( 5.199 -0.000 -1.338) 5.369 5.169 ( -3.835 0.000 -0.240) 3.842 5.228 ( -2.920 0.000 2.439) 3.805 5.230 ( -3.345 0.000 -7.237) 7.972 5.280 ( 3.028 -0.000 2.846) 4.156 5.470 ( 1.832 -0.000 -11.079) 11.229 5.535 ( -9.821 0.000 -4.793) 10.929 5.610 ( -10.512 0.000 4.796) 11.554 5.712 ( -3.450 0.000 -3.851) 5.170 6.033 ( 0.978 -0.000 2.055) 2.275 6.169 ( 7.552 -0.000 6.662) 10.071 6.186 ( 1.738 -0.000 2.074) 2.706 6.295 ( 0.072 -0.000 3.505) 3.505 6.618 ( -6.604 0.000 -2.862) 7.198 6.682 ( 5.543 -0.000 2.086) 5.923 6.780 ( 7.975 -0.000 -2.430) 8.337 6.895 ( 1.430 -0.000 -0.538) 1.528 6.951 ( 0.956 -0.000 2.333) 2.521 7.041 ( 2.216 -0.000 9.345) 9.604 7.358 ( 1.443 -0.000 -0.635) 1.577 7.467 ( -2.336 0.000 -0.322) 2.358 7.526 ( -2.947 0.000 -0.425) 2.977 7.541 ( -5.388 0.000 -5.658) 7.813 7.748 ( 4.045 -0.000 -2.938) 4.999 7.879 ( 6.627 -0.000 -0.058) 6.627 8.922 ( 1.502 -0.000 0.358) 1.544 9.096 ( 2.418 -0.000 -2.259) 3.308 9.191 ( -0.903 0.000 -0.206) 0.926 9.354 ( 20.694 -0.000 23.410) 31.245 9.793 ( -3.465 0.000 -3.057) 4.620 9.835 ( 8.322 -0.000 19.045) 20.784 9.948 ( -2.515 0.000 -0.639) 2.595 10.054 ( -7.762 0.000 9.814) 12.512 10.574 ( 6.082 -0.000 -0.334) 6.091 10.632 ( -0.524 0.000 3.419) 3.459 10.891 ( 2.106 -0.000 3.094) 3.742 11.051 ( -2.957 0.000 2.243) 3.711 11.143 ( 1.154 -0.000 4.126) 4.284 11.611 ( 3.637 -0.000 -9.167) 9.862 12.386 ( -0.721 0.000 9.786) 9.813 12.418 ( 36.158 -0.000 11.208) 37.855 12.649 ( -6.212 0.000 -1.200) 6.327 13.127 ( 1.105 -0.000 -4.596) 4.727 13.552 ( -6.621 0.000 -19.889) 20.962 13.760 ( -13.552 0.000 9.915) 16.792 14.242 ( -8.098 0.000 -2.299) 8.418 14.461 ( 8.211 -0.000 -1.166) 8.293 14.638 ( -0.604 0.000 -4.090) 4.135 14.644 ( -4.344 0.000 -1.553) 4.613 14.819 ( -1.170 0.000 -1.983) 2.303 15.087 ( 2.242 -0.000 1.190) 2.538 15.124 ( 12.384 -0.000 16.221) 20.408 15.372 ( -7.567 0.000 5.585) 9.405 15.575 ( 2.548 -0.000 -4.138) 4.860 15.580 ( 4.020 -0.000 -0.159) 4.023 15.794 ( -2.005 0.000 1.001) 2.241 15.960 ( -19.231 0.000 -36.905) 41.615 24.631 ( -0.669 0.000 1.250) 1.418 24.767 ( 0.362 -0.000 -1.472) 1.516 24.859 ( 0.212 -0.000 1.256) 1.274 24.897 ( 0.503 -0.000 0.055) 0.506 25.286 ( 1.293 -0.000 -2.980) 3.249 25.426 ( 11.828 -0.000 19.122) 22.485 25.493 ( 0.596 -0.000 0.006) 0.596 25.510 ( -0.789 0.000 3.981) 4.058 26.044 ( 29.291 -0.000 46.833) 55.238 26.134 ( 0.911 -0.000 -2.940) 3.078 26.213 ( -2.620 0.000 0.422) 2.654 26.807 ( 5.665 -0.000 -1.486) 5.857 27.246 ( 0.105 -0.000 1.247) 1.252 27.454 ( 3.506 -0.000 -2.376) 4.235 28.400 ( -13.004 0.000 9.953) 16.376 28.998 ( -42.958 0.000 -75.556) 86.914 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 8.829 -0.000 14.658) 17.112 1.121 ( 3.086 -0.000 20.720) 20.948 1.223 ( -9.624 0.000 20.937) 23.043 1.451 ( -8.891 0.000 -11.848) 14.813 1.730 ( 14.599 -0.000 -15.728) 21.459 1.752 ( -5.159 0.000 -16.183) 16.986 2.247 ( 6.514 -0.000 21.154) 22.135 2.442 ( 5.083 -0.000 -1.454) 5.287 2.546 ( 2.114 -0.000 18.086) 18.209 2.743 ( -3.265 0.000 10.087) 10.603 2.913 ( -15.032 0.000 -4.060) 15.571 2.947 ( 0.384 -0.000 5.705) 5.718 3.111 ( 3.046 -0.000 -12.574) 12.938 3.168 ( -3.068 0.000 -10.562) 10.999 3.662 ( -4.561 0.000 0.290) 4.570 3.739 ( 7.196 -0.000 -7.897) 10.684 3.790 ( -9.826 0.000 9.951) 13.984 3.981 ( 5.531 -0.000 -1.753) 5.803 4.090 ( -4.669 0.000 0.786) 4.734 4.172 ( 4.151 -0.000 -6.838) 7.999 4.487 ( 14.173 -0.000 11.013) 17.948 4.532 ( -2.433 0.000 4.285) 4.927 4.582 ( 3.438 -0.000 3.018) 4.575 4.811 ( -8.664 0.000 -17.382) 19.421 4.999 ( -0.383 0.000 -1.009) 1.079 5.030 ( 3.067 -0.000 -3.425) 4.598 5.190 ( 6.488 -0.000 2.244) 6.865 5.321 ( -5.890 0.000 -6.923) 9.089 5.328 ( -3.069 0.000 4.428) 5.388 5.393 ( 2.807 -0.000 -3.250) 4.294 5.534 ( 2.538 -0.000 2.041) 3.257 5.571 ( -3.673 0.000 -0.756) 3.750 6.142 ( -0.867 0.000 1.096) 1.397 6.168 ( 1.303 -0.000 -1.993) 2.381 6.206 ( -2.687 0.000 5.901) 6.484 6.328 ( -0.281 0.000 -3.424) 3.436 6.413 ( -8.531 0.000 0.703) 8.560 6.488 ( 7.602 -0.000 -6.301) 9.874 6.898 ( -2.521 0.000 1.802) 3.099 6.927 ( 2.227 -0.000 -0.723) 2.342 7.205 ( -6.516 0.000 3.435) 7.366 7.247 ( 7.932 -0.000 -0.910) 7.984 7.390 ( -3.595 0.000 1.168) 3.780 7.422 ( 0.972 -0.000 -1.813) 2.057 7.484 ( 3.288 -0.000 1.216) 3.506 7.488 ( -0.159 0.000 0.346) 0.381 7.811 ( 1.883 -0.000 1.046) 2.154 7.855 ( -2.110 0.000 -2.634) 3.375 9.022 ( 2.153 -0.000 3.344) 3.978 9.082 ( -6.178 0.000 -2.074) 6.517 9.162 ( 6.388 -0.000 0.969) 6.461 9.196 ( -4.071 0.000 -2.467) 4.760 9.760 ( 1.920 -0.000 1.340) 2.341 9.821 ( -1.169 0.000 -3.949) 4.118 10.210 ( -11.237 0.000 8.183) 13.901 10.377 ( 13.325 -0.000 -7.279) 15.184 10.654 ( -1.439 0.000 1.217) 1.884 10.657 ( -0.099 0.000 0.688) 0.695 10.996 ( -2.786 0.000 5.186) 5.887 11.086 ( 1.733 -0.000 -2.265) 2.852 11.458 ( -0.435 0.000 4.065) 4.088 11.559 ( 7.327 -0.000 -4.769) 8.743 12.519 ( 15.916 -0.000 -1.013) 15.948 12.571 ( -28.748 0.000 -5.757) 29.319 12.705 ( -17.569 0.000 14.981) 23.089 13.013 ( 25.705 -0.000 -13.162) 28.878 13.394 ( 16.010 -0.000 7.161) 17.538 13.516 ( -19.233 0.000 -3.524) 19.553 14.261 ( 4.503 -0.000 5.211) 6.887 14.399 ( -4.094 0.000 -6.803) 7.940 14.482 ( -12.546 0.000 3.623) 13.059 14.559 ( 11.277 -0.000 -3.447) 11.792 14.768 ( 2.090 -0.000 -0.621) 2.181 14.783 ( -5.084 0.000 -2.158) 5.523 15.397 ( -8.010 0.000 4.977) 9.430 15.467 ( -6.803 0.000 7.446) 10.086 15.502 ( 5.409 -0.000 -4.404) 6.975 15.592 ( 4.196 -0.000 -3.698) 5.593 15.718 ( 14.153 -0.000 0.456) 14.161 15.727 ( -7.823 0.000 -0.581) 7.844 24.664 ( -0.398 0.000 1.959) 1.999 24.711 ( 0.387 -0.000 -2.289) 2.321 24.897 ( -0.437 0.000 0.916) 1.015 24.908 ( 0.343 -0.000 -0.073) 0.351 25.332 ( 6.296 -0.000 1.155) 6.401 25.364 ( -7.211 0.000 -1.744) 7.419 25.551 ( 2.097 -0.000 1.399) 2.521 25.558 ( -2.111 0.000 0.865) 2.281 26.041 ( 1.637 -0.000 -2.159) 2.709 26.047 ( -3.083 0.000 -2.796) 4.163 26.991 ( 13.328 -0.000 3.277) 13.725 27.035 ( -29.400 0.000 -0.723) 29.409 27.307 ( -1.092 0.000 3.242) 3.421 27.388 ( 1.321 -0.000 -4.072) 4.280 28.232 ( 47.384 -0.000 1.558) 47.409 28.249 ( -26.400 0.000 0.004) 26.400 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 1.208 -2.573 14.110) 14.394 1.290 ( 3.222 -10.270 4.440) 11.644 1.403 ( -8.445 -14.435 0.390) 16.728 1.573 ( 8.999 -16.594 5.733) 19.728 1.760 ( -0.460 -12.083 -12.315) 17.259 1.864 ( 12.451 -8.085 -9.822) 17.801 2.413 ( -3.271 -10.440 9.113) 14.238 2.543 ( 0.341 -8.165 -6.212) 10.265 2.757 ( -10.820 -5.231 -4.207) 12.733 2.792 ( 5.463 -3.705 14.447) 15.883 2.845 ( -2.941 -5.302 11.571) 13.063 3.006 ( 3.249 -2.864 3.680) 5.684 3.092 ( -1.751 0.490 -9.383) 9.557 3.098 ( 4.376 -0.646 -2.420) 5.042 3.554 ( -9.832 3.457 -0.750) 10.449 3.718 ( 2.910 2.078 -2.780) 4.530 3.815 ( -2.133 -1.484 11.060) 11.361 3.946 ( -0.796 2.228 -3.795) 4.472 4.083 ( -3.641 -0.700 1.028) 3.847 4.204 ( 3.201 -0.055 -5.104) 6.025 4.406 ( 0.437 7.132 1.147) 7.236 4.484 ( 4.674 7.594 -6.851) 11.245 4.721 ( -4.715 -5.797 -0.964) 7.535 4.788 ( 3.551 -6.262 -0.813) 7.244 5.010 ( 1.156 -1.385 0.856) 1.997 5.054 ( 2.799 -0.149 -4.160) 5.016 5.240 ( -3.414 1.817 -2.763) 4.753 5.282 ( 3.236 -1.702 -1.477) 3.943 5.326 ( -0.031 -2.368 4.454) 5.044 5.408 ( 0.809 -0.713 -3.057) 3.241 5.532 ( 1.724 -0.786 3.724) 4.178 5.607 ( 6.076 -1.447 -2.180) 6.615 6.097 ( -2.196 5.957 3.415) 7.209 6.121 ( -1.895 1.651 0.018) 2.513 6.219 ( -1.216 0.217 3.008) 3.251 6.261 ( -2.050 1.004 -2.800) 3.613 6.440 ( -2.014 -3.356 -0.150) 3.917 6.489 ( 3.043 3.799 -2.494) 5.469 6.806 ( -3.618 6.527 3.724) 8.340 6.882 ( 1.095 4.329 -2.140) 4.951 7.163 ( -6.669 -2.009 1.026) 7.040 7.287 ( 5.387 -0.536 -2.213) 5.848 7.420 ( -4.140 -4.518 3.987) 7.311 7.466 ( -1.488 -5.909 -3.003) 6.793 7.524 ( 0.513 -3.853 2.845) 4.817 7.604 ( 5.057 -4.189 -2.359) 6.978 7.826 ( -2.910 -2.119 0.410) 3.623 7.847 ( -1.701 -2.890 -1.032) 3.508 8.962 ( -6.668 3.346 2.560) 7.887 9.049 ( 1.704 1.040 1.165) 2.312 9.203 ( -0.867 -2.987 0.317) 3.126 9.313 ( 8.451 -6.973 -1.142) 11.016 9.783 ( -0.055 0.861 -1.631) 1.845 9.809 ( 3.969 -1.776 -1.299) 4.537 10.155 ( -13.414 -1.084 4.717) 14.261 10.431 ( 7.739 -0.711 -6.028) 9.835 10.611 ( -6.608 1.407 2.701) 7.276 10.700 ( 3.367 -2.671 0.115) 4.300 10.960 ( -6.780 2.902 4.203) 8.488 11.055 ( -1.240 1.152 -1.722) 2.414 11.374 ( -1.006 8.599 6.352) 10.738 11.553 ( 6.728 4.194 -11.682) 14.118 12.393 ( -19.967 -5.096 3.627) 20.924 12.588 ( -13.016 3.620 6.533) 15.007 12.700 ( 6.568 -2.176 6.196) 9.288 13.080 ( 21.716 6.343 -15.068) 27.182 13.347 ( -12.986 -0.246 -4.102) 13.621 13.574 ( 18.454 0.804 5.762) 19.349 14.227 ( -2.322 8.067 1.625) 8.550 14.281 ( 2.468 5.706 -0.739) 6.261 14.427 ( -10.294 -1.998 2.990) 10.904 14.614 ( 6.908 1.204 -0.519) 7.032 14.769 ( -0.442 0.262 -0.831) 0.977 14.822 ( 4.436 -3.625 -0.535) 5.754 15.260 ( -5.936 6.134 3.532) 9.237 15.350 ( 0.700 12.194 1.560) 12.313 15.519 ( -3.966 -3.114 3.054) 5.895 15.597 ( -1.897 0.208 -1.698) 2.554 15.775 ( 1.255 -6.563 -1.954) 6.962 15.849 ( 7.461 -3.159 -3.714) 8.913 24.678 ( -0.073 -0.567 1.846) 1.933 24.705 ( 0.637 -0.231 -2.054) 2.163 24.896 ( -0.719 0.082 1.064) 1.287 24.911 ( 0.093 -0.178 -0.549) 0.585 25.290 ( -5.573 1.451 0.617) 5.792 25.389 ( 5.831 1.302 0.453) 5.992 25.533 ( -1.853 -0.635 2.753) 3.379 25.573 ( -0.433 -0.787 -2.200) 2.376 25.993 ( -3.312 4.019 -2.742) 5.886 26.017 ( 4.308 1.217 4.242) 6.167 26.922 ( -21.362 -8.344 1.307) 22.971 27.123 ( 1.120 -1.679 4.614) 5.037 27.368 ( -2.737 -6.628 3.430) 7.949 27.437 ( 1.528 -7.666 -2.980) 8.365 28.010 ( -15.426 2.425 -5.859) 16.678 28.503 ( 39.532 10.177 -5.126) 41.142 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 3.830 -2.579 6.623) 8.073 1.519 ( 2.720 -14.652 -6.995) 16.462 1.659 ( -2.451 -12.756 6.629) 14.583 1.949 ( -0.828 -13.757 -9.038) 16.481 1.989 ( 12.053 -16.370 1.571) 20.389 2.103 ( 9.278 -9.043 1.171) 13.008 2.568 ( -5.503 -7.941 -9.027) 13.222 2.651 ( -5.790 -8.270 -0.284) 10.099 2.732 ( -9.868 -2.403 1.999) 10.351 2.892 ( 1.306 -0.177 2.838) 3.129 2.953 ( -3.584 -6.912 -2.543) 8.190 3.015 ( -2.608 -1.833 -3.418) 4.674 3.170 ( 0.468 -6.462 10.846) 12.634 3.226 ( 4.218 -2.003 4.083) 6.203 3.491 ( -0.558 -4.147 0.837) 4.267 3.646 ( 0.575 7.320 2.639) 7.802 3.854 ( -3.676 2.041 -2.729) 5.013 3.904 ( -2.341 -1.580 1.571) 3.232 4.099 ( 0.492 0.930 10.462) 10.515 4.149 ( 4.066 1.355 -4.490) 6.207 4.341 ( 3.528 5.185 -7.009) 9.405 4.385 ( 3.580 -3.713 -10.479) 11.679 4.734 ( -7.613 -3.682 -2.991) 8.970 4.910 ( 2.674 -2.928 1.601) 4.277 5.045 ( 2.119 1.476 -3.864) 4.647 5.074 ( 4.747 -1.107 0.370) 4.889 5.115 ( -2.958 5.387 4.722) 7.750 5.268 ( 3.579 3.180 -1.910) 5.155 5.435 ( -3.497 -3.387 1.243) 5.025 5.504 ( -1.611 -11.526 4.566) 12.502 5.611 ( 4.928 -2.307 0.904) 5.516 5.692 ( 6.205 -3.559 -5.182) 8.833 5.998 ( -3.138 4.178 4.454) 6.866 6.056 ( -0.901 2.755 -2.360) 3.738 6.162 ( -3.897 2.794 -1.597) 5.054 6.280 ( 0.371 -0.356 5.708) 5.731 6.364 ( -0.555 3.720 -2.175) 4.345 6.470 ( 3.178 5.148 5.234) 8.000 6.696 ( -4.470 2.396 1.097) 5.189 6.832 ( 3.095 2.739 -1.264) 4.322 7.184 ( -6.878 -5.859 -1.350) 9.135 7.350 ( 2.601 -3.126 -1.712) 4.412 7.459 ( -7.232 -3.129 2.886) 8.391 7.548 ( -0.489 -5.048 -3.568) 6.201 7.624 ( -0.077 -1.061 -3.012) 3.194 7.644 ( -0.519 -4.656 2.848) 5.483 7.893 ( -1.514 -4.241 1.946) 4.906 7.907 ( 2.037 -6.024 -1.991) 6.663 8.891 ( -7.755 0.006 5.112) 9.288 9.054 ( 1.937 0.231 -0.004) 1.950 9.270 ( 0.458 -3.193 3.958) 5.106 9.506 ( 9.688 -5.958 -0.619) 11.391 9.750 ( -1.215 0.569 -1.147) 1.765 9.908 ( 6.371 -4.193 -2.959) 8.181 10.070 ( -11.992 -1.592 -1.336) 12.170 10.483 ( 2.229 -2.190 -2.127) 3.780 10.549 ( -5.260 0.553 3.426) 6.302 10.789 ( 7.676 -0.591 0.322) 7.705 10.839 ( -6.917 5.175 3.823) 9.447 11.027 ( -3.484 -1.511 -2.089) 4.334 11.231 ( 2.376 10.215 3.302) 10.995 11.424 ( 6.408 7.875 -13.079) 16.557 12.329 ( -16.247 7.833 9.219) 20.256 12.407 ( -15.167 -1.171 -1.893) 15.330 12.776 ( 0.852 -0.138 8.685) 8.728 13.045 ( 15.505 5.173 -13.344) 21.100 13.284 ( -2.653 -1.126 -3.527) 4.555 13.700 ( 14.774 4.016 1.684) 15.402 14.098 ( 0.334 4.056 0.632) 4.118 14.192 ( 4.482 7.346 2.255) 8.896 14.399 ( -8.237 -1.492 2.773) 8.818 14.651 ( 0.894 -1.147 2.137) 2.585 14.728 ( 0.509 4.023 1.614) 4.365 14.919 ( 7.875 -0.715 -2.816) 8.394 15.109 ( -8.421 7.752 2.851) 11.796 15.209 ( 1.356 1.782 1.358) 2.619 15.541 ( -1.587 -1.672 -0.073) 2.306 15.567 ( -0.936 1.671 -0.839) 2.091 15.864 ( 0.348 -3.165 -4.308) 5.357 15.930 ( 3.384 -2.944 0.699) 4.540 24.700 ( 0.183 -0.917 1.323) 1.620 24.709 ( 0.769 -0.511 -1.288) 1.585 24.896 ( -0.734 -0.178 1.221) 1.436 24.905 ( -0.271 0.406 -1.225) 1.318 25.216 ( -4.322 2.294 0.369) 4.907 25.381 ( 4.284 3.627 1.483) 5.806 25.563 ( -2.355 -1.900 0.603) 3.085 25.598 ( -0.844 -3.157 -0.164) 3.272 25.887 ( -1.490 1.701 -4.058) 4.646 26.074 ( 7.403 2.962 7.528) 10.966 26.908 ( -14.145 -5.228 3.420) 15.464 27.062 ( -13.881 0.446 -3.500) 14.322 27.506 ( -4.829 -9.434 0.210) 10.600 27.594 ( -3.430 -9.763 -3.856) 11.043 27.959 ( 6.646 -3.467 0.852) 7.544 28.520 ( 27.689 15.577 -4.264) 32.055 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 3.224 -0.814 -1.971) 3.865 1.730 ( 3.826 -4.695 1.486) 6.236 1.878 ( -5.144 -12.402 6.891) 15.092 2.103 ( 3.185 -6.894 -7.715) 10.825 2.279 ( 6.074 -2.430 -0.276) 6.547 2.326 ( 10.638 -5.894 1.199) 12.221 2.581 ( -5.768 -5.650 -11.782) 14.283 2.642 ( -7.327 -2.728 -1.141) 7.901 2.692 ( -5.347 -1.017 -0.359) 5.454 2.933 ( -0.374 -1.887 3.013) 3.575 3.035 ( -3.311 -4.578 0.294) 5.658 3.072 ( -2.658 -5.281 2.459) 6.403 3.210 ( -2.028 1.901 4.475) 5.268 3.312 ( -3.328 -1.875 7.721) 8.614 3.471 ( -3.424 4.305 -5.532) 7.801 3.669 ( -1.152 -5.739 3.436) 6.787 3.760 ( 3.589 2.682 -1.621) 4.765 3.887 ( -2.339 3.417 0.683) 4.197 4.108 ( 5.577 2.786 0.005) 6.234 4.160 ( 6.215 2.300 0.871) 6.684 4.339 ( 2.806 -5.483 -5.133) 8.018 4.520 ( 5.793 -6.785 -4.975) 10.215 4.689 ( -4.458 0.500 -2.211) 5.001 4.887 ( -3.520 6.820 -1.904) 7.907 4.997 ( 2.670 -0.627 -1.728) 3.241 5.105 ( 2.669 -2.828 0.928) 3.998 5.195 ( 2.049 -4.044 1.710) 4.845 5.249 ( 2.607 0.641 2.813) 3.888 5.452 ( -5.312 -1.849 0.648) 5.661 5.619 ( 0.892 -1.324 3.066) 3.457 5.704 ( -0.715 1.893 -1.551) 2.549 5.768 ( -0.166 -8.718 0.627) 8.742 5.971 ( -0.364 -1.690 -0.656) 1.849 6.016 ( 0.564 1.465 -2.715) 3.137 6.078 ( -4.291 0.871 3.333) 5.502 6.290 ( -0.531 4.385 3.040) 5.362 6.325 ( 0.144 -1.765 3.067) 3.542 6.467 ( 5.228 1.643 5.007) 7.423 6.651 ( -1.248 0.389 -0.180) 1.320 6.802 ( 2.852 2.992 -0.986) 4.249 7.202 ( -5.341 -2.381 -1.556) 6.051 7.390 ( -0.839 -1.260 -2.763) 3.151 7.437 ( -7.540 -0.495 2.366) 7.918 7.575 ( -0.976 -0.977 -4.578) 4.782 7.642 ( 1.487 -3.344 -0.754) 3.737 7.732 ( -1.241 -3.253 -0.069) 3.483 7.964 ( -0.766 -3.871 2.261) 4.548 8.029 ( 3.543 -4.643 -1.940) 6.155 8.872 ( -7.866 -1.287 7.450) 10.911 9.070 ( 1.033 -0.200 0.283) 1.089 9.354 ( 2.234 -2.163 3.924) 5.007 9.666 ( 7.457 -3.886 -1.797) 8.598 9.747 ( -1.187 -1.532 1.295) 2.331 9.929 ( -8.937 -1.795 0.434) 9.126 10.072 ( 7.944 -0.834 -9.165) 12.157 10.497 ( -1.935 0.642 6.777) 7.077 10.556 ( -3.229 -1.658 -1.054) 3.780 10.755 ( -2.520 0.877 1.118) 2.892 10.784 ( 0.211 3.391 0.869) 3.507 11.075 ( 1.464 -8.011 -6.433) 10.379 11.136 ( 10.440 6.951 1.140) 12.594 11.275 ( 3.998 8.409 -5.239) 10.684 12.025 ( -12.630 11.168 1.602) 16.935 12.240 ( -13.015 6.685 -0.148) 14.632 12.878 ( -1.000 -5.663 6.212) 8.465 13.030 ( 7.342 1.351 -6.632) 9.986 13.269 ( 1.975 0.845 -3.507) 4.112 13.704 ( 5.334 3.853 -1.043) 6.662 14.057 ( 1.719 2.851 -1.336) 3.587 14.199 ( 10.229 0.160 5.075) 11.420 14.366 ( -6.194 -0.904 1.302) 6.393 14.629 ( -6.605 3.240 6.051) 9.525 14.710 ( 2.656 0.400 -0.274) 2.700 14.835 ( -0.891 8.954 -3.351) 9.602 15.044 ( -1.645 -2.544 3.493) 4.624 15.256 ( 4.865 -1.389 -1.090) 5.175 15.522 ( -1.165 0.757 -0.303) 1.422 15.553 ( -0.753 -1.052 -1.129) 1.716 15.856 ( -0.972 0.606 -3.870) 4.036 16.015 ( 1.305 -2.862 2.262) 3.874 24.719 ( 0.467 -0.411 -0.405) 0.743 24.726 ( 0.399 -1.124 0.635) 1.351 24.878 ( -0.636 1.257 -1.206) 1.854 24.903 ( -0.345 -0.454 0.736) 0.931 25.148 ( -2.897 1.838 -0.078) 3.432 25.376 ( 4.811 2.536 3.504) 6.470 25.558 ( -4.544 -0.858 -1.630) 4.903 25.620 ( -2.122 -1.573 -1.106) 2.863 25.879 ( 2.597 -0.665 -2.746) 3.838 26.108 ( 6.052 3.221 7.991) 10.528 26.877 ( -12.684 -1.261 -1.178) 12.801 26.955 ( -7.517 -3.117 -0.878) 8.185 27.551 ( -1.879 -1.842 -4.923) 5.582 27.744 ( -4.429 -11.782 -2.957) 12.930 28.123 ( 6.756 -2.888 4.044) 8.387 28.426 ( 16.173 12.369 -0.628) 20.370 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.889 2.356 -1.607) 2.987 1.786 ( -5.697 -1.559 7.454) 9.510 2.037 ( -1.101 -2.849 3.101) 4.353 2.121 ( 4.787 5.903 -9.316) 12.023 2.276 ( 6.079 5.115 8.373) 11.543 2.369 ( 1.336 3.486 -2.226) 4.346 2.547 ( -5.476 -1.018 -8.260) 9.963 2.653 ( -2.041 -0.022 1.638) 2.617 2.813 ( 1.205 -11.668 1.356) 11.808 2.878 ( -3.999 6.283 -3.638) 8.289 3.026 ( 0.047 1.620 1.388) 2.134 3.153 ( -0.659 -2.251 5.847) 6.300 3.226 ( -0.454 4.400 1.960) 4.838 3.278 ( 0.912 -3.086 0.887) 3.338 3.448 ( -0.485 -3.814 -5.373) 6.607 3.697 ( -8.058 -2.545 4.455) 9.553 3.779 ( 9.753 3.613 -2.948) 10.810 3.822 ( -3.311 -1.770 -0.048) 3.755 4.107 ( 3.435 1.237 -4.158) 5.534 4.207 ( 4.976 0.711 5.189) 7.224 4.419 ( 1.818 0.182 0.303) 1.852 4.504 ( -3.296 3.861 -0.420) 5.093 4.678 ( -4.763 9.782 4.418) 11.743 4.745 ( 5.482 -2.863 -7.764) 9.926 5.023 ( 1.870 -2.076 -2.813) 3.965 5.170 ( 2.062 -0.052 -2.189) 3.008 5.217 ( -1.556 -3.005 -3.285) 4.716 5.361 ( 3.325 -1.973 5.786) 6.959 5.464 ( -5.334 -5.504 1.806) 7.875 5.566 ( -2.881 3.039 -3.034) 5.171 5.718 ( 3.122 0.144 3.491) 4.685 5.875 ( -0.743 -3.322 -1.164) 3.598 5.941 ( -2.011 1.680 -1.137) 2.857 6.020 ( 1.577 -1.052 -3.047) 3.588 6.090 ( -3.923 -1.389 4.606) 6.208 6.246 ( 0.015 -0.411 1.149) 1.221 6.388 ( 1.984 -3.321 -3.259) 5.058 6.518 ( 3.318 0.296 6.298) 7.125 6.653 ( 1.321 0.292 -0.372) 1.403 6.760 ( -1.135 2.135 0.892) 2.577 7.184 ( 0.746 0.674 -0.727) 1.240 7.363 ( -1.660 1.951 2.739) 3.751 7.395 ( -4.575 -0.865 -3.057) 5.569 7.555 ( 1.580 1.970 -0.652) 2.609 7.701 ( -0.655 -1.440 0.124) 1.587 7.739 ( -0.233 0.193 -2.142) 2.163 8.018 ( -0.928 -0.942 1.985) 2.385 8.088 ( 3.400 0.141 -3.362) 4.783 8.879 ( -4.899 -1.083 8.294) 9.693 9.067 ( -1.029 1.294 1.372) 2.149 9.411 ( 2.177 -0.178 1.636) 2.729 9.706 ( -0.328 -0.384 -7.143) 7.161 9.786 ( -3.752 -2.735 2.839) 5.442 9.941 ( 1.241 -0.259 5.900) 6.035 10.066 ( 8.280 1.849 -9.946) 13.073 10.503 ( -5.021 0.770 2.912) 5.855 10.507 ( 0.011 1.861 6.297) 6.566 10.685 ( -1.515 1.378 -5.091) 5.488 10.860 ( -2.815 -6.531 2.621) 7.579 11.075 ( 3.195 9.290 -8.021) 12.683 11.131 ( 5.317 4.957 3.934) 8.266 11.279 ( 2.757 -11.856 -6.152) 13.638 11.836 ( -1.418 2.561 1.134) 3.139 12.046 ( -4.809 4.279 5.387) 8.394 12.944 ( -0.913 -2.540 -5.566) 6.186 13.082 ( -0.577 -3.188 6.395) 7.169 13.233 ( 3.391 3.537 -5.880) 7.654 13.682 ( 0.245 0.290 -0.808) 0.893 14.029 ( 0.314 0.320 -0.654) 0.793 14.319 ( 4.810 -0.750 2.049) 5.282 14.366 ( -4.049 -2.034 1.323) 4.720 14.543 ( -2.821 0.166 4.039) 4.930 14.689 ( 0.190 1.996 -0.439) 2.053 14.741 ( 2.208 1.888 0.501) 2.948 15.094 ( -2.500 -2.058 3.524) 4.786 15.259 ( 1.311 2.077 -3.467) 4.249 15.549 ( 0.157 -1.799 1.726) 2.498 15.559 ( 0.562 -2.202 -4.299) 4.862 15.810 ( -0.871 1.396 -1.391) 2.155 16.066 ( 0.398 -0.994 0.610) 1.233 24.723 ( -0.104 0.123 0.069) 0.176 24.749 ( 0.326 -0.646 -0.300) 0.784 24.847 ( -0.413 0.863 -0.200) 0.978 24.911 ( 0.177 -0.133 0.284) 0.360 25.107 ( -2.023 0.499 1.025) 2.322 25.406 ( 5.447 1.424 3.872) 6.833 25.522 ( -4.788 -1.595 -2.953) 5.847 25.617 ( -0.818 0.067 -0.622) 1.029 25.881 ( 0.791 0.564 -2.046) 2.265 26.160 ( 4.456 0.696 6.612) 8.004 26.788 ( -4.891 -0.042 -4.240) 6.473 26.977 ( -1.080 -1.045 2.958) 3.318 27.530 ( 0.311 0.518 -4.188) 4.231 27.841 ( 0.189 -0.785 -2.808) 2.922 28.169 ( -0.123 -0.552 0.671) 0.878 28.402 ( 2.234 0.447 1.785) 2.894 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -4.757 5.178 4.755) 8.489 1.777 ( -7.538 4.280 16.482) 18.623 1.877 ( -2.291 12.625 -8.883) 15.606 2.002 ( 4.057 11.422 -3.125) 12.517 2.268 ( 3.629 8.949 3.509) 10.274 2.276 ( -2.639 7.107 12.201) 14.364 2.435 ( -6.548 3.315 -6.313) 9.681 2.649 ( 4.351 1.729 0.279) 4.690 2.674 ( -0.611 6.486 -3.478) 7.385 2.985 ( 1.734 1.431 2.406) 3.293 3.011 ( 1.943 0.871 -0.454) 2.177 3.140 ( -1.164 2.677 -2.969) 4.164 3.250 ( 1.440 -3.018 6.216) 7.058 3.338 ( 6.922 -1.536 -0.143) 7.092 3.488 ( 6.312 -1.699 -6.840) 9.461 3.693 ( -10.362 -2.419 3.547) 11.216 3.781 ( 5.406 0.998 -2.998) 6.261 3.908 ( -0.002 -7.836 -0.906) 7.888 4.063 ( -3.292 1.664 -2.852) 4.663 4.216 ( 0.716 3.260 0.173) 3.342 4.328 ( -7.397 7.319 7.049) 12.569 4.369 ( -0.552 9.507 -3.771) 10.243 4.545 ( 4.574 3.003 9.144) 10.656 4.846 ( 5.495 -3.744 0.749) 6.691 5.056 ( 0.624 -1.574 -3.745) 4.110 5.148 ( 0.295 1.286 -3.545) 3.782 5.239 ( -2.257 -3.381 -5.556) 6.884 5.409 ( 1.428 0.255 2.433) 2.832 5.434 ( -5.684 -0.162 -5.740) 8.080 5.606 ( 0.437 -3.932 2.441) 4.649 5.711 ( 4.993 5.777 -0.891) 7.688 5.814 ( -5.601 4.166 -3.715) 7.907 5.952 ( 0.205 0.430 1.942) 1.999 5.970 ( -1.954 0.484 1.225) 2.357 6.136 ( -0.041 -3.949 -2.167) 4.505 6.318 ( 0.570 -5.070 -0.829) 5.169 6.436 ( 1.585 -4.043 -6.755) 8.031 6.564 ( 1.333 -0.356 0.613) 1.510 6.630 ( 1.226 2.334 -0.130) 2.640 6.747 ( -3.634 -2.127 3.830) 5.691 7.181 ( 4.071 2.992 0.961) 5.143 7.315 ( -1.168 3.345 3.248) 4.807 7.408 ( 2.125 -1.446 3.809) 4.595 7.525 ( 2.682 3.300 0.515) 4.284 7.644 ( -3.990 3.095 -1.655) 5.314 7.735 ( 3.511 2.704 -0.121) 4.433 7.992 ( -0.047 4.065 1.039) 4.196 8.047 ( 1.625 3.963 -4.923) 6.526 8.913 ( 0.070 -0.633 5.580) 5.616 9.026 ( -3.185 1.972 3.070) 4.843 9.406 ( 0.601 2.761 0.496) 2.869 9.647 ( -8.240 -0.228 -3.542) 8.972 9.784 ( -0.237 1.592 -0.266) 1.631 9.968 ( 8.010 2.051 0.039) 8.268 10.048 ( 3.972 2.277 -7.929) 9.156 10.506 ( -1.465 2.360 5.084) 5.793 10.558 ( -0.051 -3.320 9.930) 10.470 10.611 ( -0.564 0.568 -0.987) 1.271 10.899 ( 0.918 -0.797 -5.454) 5.588 10.915 ( -5.662 4.257 2.022) 7.366 11.124 ( -0.932 -1.186 -0.135) 1.515 11.407 ( -2.369 -6.099 -11.021) 12.817 11.955 ( 13.872 -7.769 6.482) 17.170 12.140 ( 5.834 -7.458 10.834) 14.388 12.943 ( -2.365 -2.466 -6.396) 7.252 13.102 ( -1.768 4.821 -2.207) 5.589 13.180 ( 1.186 -0.971 0.150) 1.540 13.693 ( -4.485 -3.698 -0.013) 5.813 14.044 ( -1.413 -2.405 0.100) 2.791 14.275 ( -11.603 -0.884 -1.730) 11.765 14.384 ( 5.160 -1.397 -0.225) 5.351 14.666 ( -0.846 -2.406 6.333) 6.828 14.715 ( 4.784 -0.981 0.287) 4.892 14.739 ( 3.028 -4.269 0.898) 5.310 15.098 ( -1.675 0.043 0.115) 1.679 15.215 ( -3.121 0.827 0.085) 3.230 15.563 ( -0.547 -1.975 -2.707) 3.395 15.582 ( 1.411 -0.113 -3.624) 3.890 15.797 ( 0.322 0.323 1.646) 1.708 16.060 ( -0.161 1.348 -2.213) 2.596 24.712 ( -0.709 0.946 0.481) 1.276 24.747 ( 0.118 0.322 -1.439) 1.480 24.847 ( 0.080 -0.559 1.389) 1.499 24.914 ( 0.644 0.284 -0.128) 0.716 25.110 ( -1.283 -1.281 2.848) 3.376 25.441 ( 1.480 0.022 0.982) 1.776 25.519 ( 0.205 -1.760 -0.887) 1.982 25.601 ( 0.755 1.497 0.645) 1.797 25.858 ( -1.754 0.830 -1.162) 2.261 26.206 ( -0.540 -1.437 1.204) 1.951 26.780 ( 7.769 0.981 2.253) 8.148 26.985 ( 4.775 2.858 0.471) 5.585 27.502 ( 2.378 2.085 -1.264) 3.406 27.738 ( 4.793 11.143 -2.465) 12.378 28.206 ( -10.984 -6.896 -2.449) 13.199 28.406 ( -8.447 -3.328 0.389) 9.088 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -6.058 5.145 13.673) 15.815 1.461 ( -3.924 25.621 1.196) 25.948 1.664 ( 1.391 18.228 13.696) 22.843 1.804 ( -3.901 5.196 -2.339) 6.906 2.070 ( -10.352 10.604 -3.112) 15.142 2.135 ( 7.343 17.979 19.257) 27.350 2.237 ( -1.613 8.077 -9.924) 12.897 2.650 ( 1.523 0.236 4.987) 5.220 2.664 ( 7.633 7.531 2.283) 10.963 2.883 ( -2.464 3.636 3.994) 5.936 2.939 ( 1.018 11.219 -2.144) 11.467 3.081 ( -0.948 -0.404 -4.190) 4.315 3.278 ( -2.885 1.625 -1.299) 3.557 3.393 ( 2.381 1.054 -8.387) 8.782 3.590 ( 8.098 -3.102 -2.528) 9.033 3.653 ( -5.825 -1.104 4.919) 7.704 3.786 ( -1.641 -2.199 -5.284) 5.954 3.944 ( -4.778 2.494 -0.239) 5.395 4.057 ( 8.464 -2.114 1.225) 8.810 4.163 ( -3.139 -1.287 -0.298) 3.406 4.240 ( -4.761 -3.179 6.668) 8.789 4.281 ( 6.941 5.227 0.584) 8.709 4.604 ( 6.152 2.586 8.412) 10.738 4.960 ( 0.392 -3.067 2.105) 3.740 5.041 ( 2.282 -0.715 -9.302) 9.604 5.099 ( -1.767 0.549 -3.018) 3.540 5.236 ( -1.521 -1.089 -5.454) 5.766 5.379 ( -0.896 1.941 -5.179) 5.603 5.413 ( -0.887 -0.467 0.330) 1.055 5.573 ( -1.132 8.177 0.407) 8.265 5.631 ( -4.274 5.874 -2.439) 7.663 5.654 ( -3.862 0.592 -3.441) 5.206 5.954 ( -2.631 -3.675 6.006) 7.517 6.057 ( 3.962 -4.620 -0.193) 6.089 6.172 ( 0.488 -1.331 -2.356) 2.750 6.357 ( -0.985 -0.703 -1.939) 2.285 6.476 ( -1.058 -1.347 -11.801) 11.924 6.566 ( -2.609 -5.471 -2.478) 6.548 6.663 ( 2.878 -2.162 3.711) 5.169 6.809 ( 0.481 -4.150 1.864) 4.575 7.135 ( 4.068 5.666 2.474) 7.401 7.279 ( 0.941 3.984 5.398) 6.775 7.448 ( 0.395 3.507 4.818) 5.973 7.514 ( 4.514 -0.120 0.178) 4.519 7.556 ( -1.314 3.172 0.605) 3.487 7.683 ( 1.672 5.553 -0.296) 5.807 7.887 ( 1.445 7.932 -0.276) 8.067 7.959 ( 0.829 3.373 -4.352) 5.568 8.944 ( 3.414 0.738 1.050) 3.647 9.003 ( -3.691 -1.060 3.951) 5.510 9.330 ( -1.201 5.457 0.890) 5.658 9.522 ( -11.175 3.158 -3.805) 12.220 9.751 ( 0.473 0.909 -1.595) 1.896 9.939 ( -3.322 2.409 -5.075) 6.526 10.078 ( 20.601 1.115 -2.200) 20.748 10.403 ( -7.448 5.170 5.902) 10.818 10.593 ( 4.819 -0.366 -0.800) 4.899 10.792 ( -0.821 5.972 6.340) 8.749 10.806 ( 0.630 -8.158 9.204) 12.316 10.937 ( 0.157 -5.110 -3.095) 5.977 11.154 ( -6.177 -5.782 1.448) 8.584 11.439 ( 4.389 -3.391 -7.118) 9.023 12.284 ( 10.764 -8.593 9.129) 16.524 12.428 ( 15.365 -9.525 3.949) 18.504 12.866 ( -5.535 6.161 -0.210) 8.285 13.009 ( -4.539 -3.504 -11.754) 13.078 13.213 ( 3.010 0.729 2.142) 3.766 13.723 ( -11.809 -6.329 0.039) 13.398 14.080 ( -3.170 -3.824 0.436) 4.986 14.262 ( -6.583 -7.828 -2.132) 10.448 14.447 ( 6.459 -0.125 -1.434) 6.617 14.674 ( -5.536 0.486 -0.459) 5.576 14.722 ( 0.661 -0.789 4.285) 4.407 14.891 ( -1.854 -4.323 -1.216) 4.858 15.138 ( 5.725 -4.004 1.839) 7.225 15.191 ( -2.659 -2.430 1.096) 3.765 15.560 ( -1.459 0.135 -3.320) 3.629 15.588 ( 0.787 -1.012 -0.600) 1.415 15.783 ( -0.273 2.919 2.184) 3.656 15.991 ( -0.256 4.174 -4.907) 6.447 24.687 ( -0.930 1.273 0.924) 1.827 24.733 ( 0.120 0.288 -1.797) 1.824 24.870 ( 0.094 -0.738 1.825) 1.970 24.912 ( 0.819 0.398 -0.328) 0.968 25.163 ( 0.292 -3.189 4.042) 5.157 25.437 ( -2.179 -0.685 -1.803) 2.910 25.553 ( 0.043 -0.167 0.444) 0.477 25.601 ( 4.586 1.459 1.898) 5.173 25.816 ( -2.539 -0.059 0.198) 2.548 26.213 ( -6.539 -3.142 -3.728) 8.157 26.895 ( 11.961 2.442 7.006) 14.075 27.000 ( 18.707 2.100 -0.274) 18.826 27.495 ( 9.327 4.234 2.400) 10.521 27.556 ( 3.806 10.754 -2.652) 11.712 28.086 ( -19.727 2.351 -11.188) 22.801 28.421 ( -18.116 -8.623 5.069) 20.694 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 2.491 18.967 14.454) 23.976 1.222 ( -9.113 2.026 19.160) 21.313 1.344 ( 1.522 23.805 13.009) 27.170 1.698 ( -5.716 9.471 -8.149) 13.739 1.741 ( -0.266 5.265 -10.387) 11.648 1.985 ( -2.246 11.729 -0.987) 11.983 2.100 ( 10.142 7.811 17.714) 21.855 2.509 ( 6.169 11.924 3.840) 13.964 2.628 ( -3.430 9.894 1.547) 10.586 2.730 ( -1.751 3.593 9.764) 10.550 2.915 ( -1.315 -1.054 5.616) 5.863 3.047 ( -7.375 0.131 -1.738) 7.578 3.168 ( -1.890 1.949 -10.687) 11.027 3.282 ( -3.770 2.160 -12.977) 13.685 3.662 ( 6.514 -2.230 -5.913) 9.076 3.692 ( 2.065 0.829 5.097) 5.562 3.775 ( -7.453 -4.624 -0.740) 8.802 3.945 ( 1.071 -1.029 2.381) 2.806 4.129 ( -0.234 -0.037 -0.150) 0.281 4.198 ( 3.423 0.915 -0.113) 3.545 4.278 ( 9.882 -0.932 1.251) 10.004 4.400 ( 0.851 -9.293 6.517) 11.383 4.614 ( 4.387 5.327 5.192) 8.636 4.954 ( 0.207 0.551 -8.222) 8.243 5.011 ( -0.468 0.504 -4.557) 4.608 5.086 ( -2.540 1.525 -5.710) 6.433 5.193 ( 2.233 3.570 -1.492) 4.467 5.304 ( -4.107 0.005 4.698) 6.239 5.390 ( -0.353 2.066 -2.203) 3.041 5.442 ( -0.611 2.475 -8.901) 9.259 5.521 ( -6.111 0.003 4.123) 7.372 5.610 ( -3.452 -0.102 -2.252) 4.123 6.072 ( -0.433 -5.914 5.026) 7.773 6.145 ( -0.064 -2.348 -0.656) 2.438 6.190 ( 1.481 -1.148 -0.439) 1.925 6.360 ( 2.341 0.993 0.140) 2.547 6.405 ( -3.287 -1.937 -7.815) 8.696 6.564 ( -1.768 2.697 -4.333) 5.401 6.803 ( -0.155 -8.460 2.883) 8.939 6.884 ( 1.671 -2.871 -1.895) 3.825 7.146 ( 8.796 0.145 3.032) 9.305 7.238 ( -2.446 1.642 2.891) 4.127 7.397 ( -0.063 2.954 3.330) 4.452 7.492 ( 2.854 4.918 -1.171) 5.806 7.534 ( -0.799 2.487 2.098) 3.351 7.562 ( -2.931 6.532 -0.488) 7.177 7.797 ( 3.866 3.249 0.655) 5.093 7.898 ( 0.824 2.332 -3.277) 4.105 8.975 ( 2.817 -0.657 1.753) 3.382 9.037 ( -1.560 -3.658 1.087) 4.123 9.225 ( -0.103 5.428 0.183) 5.432 9.329 ( -9.181 5.277 -4.077) 11.347 9.746 ( 0.743 0.019 0.073) 0.747 9.860 ( -2.302 0.793 -4.196) 4.851 10.238 ( 12.035 -0.608 0.236) 12.053 10.301 ( -1.071 2.871 3.338) 4.532 10.638 ( 4.401 -0.185 -0.157) 4.408 10.688 ( -3.962 2.654 1.093) 4.893 10.965 ( 2.415 -1.214 5.096) 5.768 11.036 ( 2.279 -4.234 -0.325) 4.820 11.294 ( -2.184 -10.774 9.057) 14.244 11.518 ( 8.300 -1.815 -5.453) 10.096 12.447 ( 7.749 0.724 -0.090) 7.783 12.732 ( -8.721 0.627 5.221) 10.184 12.755 ( 15.812 -6.715 -0.233) 17.181 12.915 ( -14.115 0.066 -10.838) 17.797 13.256 ( 11.975 1.738 3.602) 12.625 13.674 ( -19.689 -3.413 -2.423) 20.129 14.158 ( 1.496 -4.610 3.150) 5.781 14.369 ( -4.614 -9.114 -4.416) 11.130 14.488 ( 8.057 0.543 -2.232) 8.378 14.590 ( -9.809 1.459 1.249) 9.995 14.755 ( 1.491 -0.365 0.013) 1.536 14.866 ( -5.064 0.616 -4.052) 6.515 15.299 ( 0.489 -10.498 3.659) 11.129 15.317 ( -0.267 -8.205 1.403) 8.328 15.535 ( -0.315 0.523 0.666) 0.903 15.588 ( 2.140 2.346 0.830) 3.282 15.717 ( 1.551 5.498 1.372) 5.875 15.860 ( -1.343 6.692 -4.173) 8.000 24.667 ( -0.758 0.787 1.519) 1.871 24.721 ( 0.213 0.117 -2.098) 2.112 24.889 ( -0.109 -0.424 1.415) 1.482 24.909 ( 0.604 0.430 -0.226) 0.775 25.257 ( 3.485 -2.775 2.627) 5.172 25.420 ( -4.482 -1.143 -1.513) 4.867 25.532 ( -1.277 1.201 1.125) 2.083 25.591 ( 1.883 2.368 -1.376) 3.324 25.898 ( 1.518 -7.775 3.419) 8.628 26.155 ( -6.835 0.395 -6.058) 9.142 26.918 ( 11.690 4.879 1.817) 12.797 27.199 ( 7.302 -3.734 -1.122) 8.278 27.387 ( -0.213 8.631 -1.327) 8.735 27.502 ( 5.843 10.229 -6.731) 13.568 27.860 ( 7.071 -0.660 6.371) 9.540 28.404 ( -24.326 -5.728 4.597) 25.411 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -6.472 0.000 -15.138) 16.463 1.254 ( 1.413 -0.000 -2.610) 2.968 1.385 ( 0.193 -0.000 17.975) 17.976 1.476 ( 9.008 -0.000 9.889) 13.377 1.595 ( 10.383 -0.000 -6.220) 12.104 1.869 ( 15.015 -0.000 -10.065) 18.077 2.273 ( -9.368 0.000 5.037) 10.636 2.398 ( -2.655 0.000 -19.282) 19.464 2.584 ( -7.744 0.000 -0.273) 7.749 2.857 ( 1.543 -0.000 -0.845) 1.759 2.867 ( -0.818 0.000 15.073) 15.095 3.042 ( -1.250 0.000 -6.938) 7.049 3.051 ( 5.764 -0.000 12.593) 13.849 3.169 ( 10.892 -0.000 3.155) 11.340 3.513 ( -9.725 0.000 0.526) 9.739 3.695 ( -4.133 0.000 -4.235) 5.917 3.800 ( -4.558 0.000 13.384) 14.139 4.006 ( 0.969 -0.000 -7.066) 7.132 4.022 ( -6.737 0.000 4.148) 7.912 4.207 ( 5.536 -0.000 -1.521) 5.741 4.382 ( -10.466 0.000 -13.918) 17.414 4.598 ( 0.968 -0.000 -4.382) 4.488 4.625 ( 2.972 -0.000 -5.367) 6.135 4.802 ( 8.272 -0.000 9.709) 12.755 5.008 ( 3.122 -0.000 1.744) 3.576 5.053 ( 2.153 -0.000 -4.659) 5.133 5.156 ( -3.445 0.000 -4.744) 5.863 5.282 ( -2.020 0.000 4.604) 5.027 5.378 ( 4.427 -0.000 1.543) 4.688 5.436 ( 3.919 -0.000 -2.439) 4.616 5.564 ( 4.907 -0.000 0.212) 4.911 5.651 ( 7.381 -0.000 2.468) 7.783 6.113 ( -3.172 0.000 2.205) 3.863 6.178 ( 2.322 -0.000 -0.703) 2.426 6.254 ( -0.929 0.000 7.618) 7.675 6.275 ( -1.748 0.000 -3.397) 3.821 6.293 ( -7.802 0.000 3.752) 8.658 6.540 ( 3.399 -0.000 -3.285) 4.727 6.861 ( -3.493 0.000 1.613) 3.848 6.913 ( -3.624 0.000 -1.949) 4.115 7.098 ( -7.582 0.000 -0.056) 7.582 7.267 ( -4.733 0.000 -0.404) 4.751 7.391 ( 4.228 -0.000 3.259) 5.338 7.393 ( -1.094 0.000 -1.608) 1.945 7.529 ( 2.719 -0.000 0.485) 2.762 7.583 ( 7.448 -0.000 -3.430) 8.200 7.753 ( -5.707 0.000 -2.195) 6.115 7.797 ( -5.118 0.000 2.194) 5.569 8.953 ( -7.494 0.000 0.114) 7.495 9.080 ( -0.039 0.000 4.342) 4.342 9.171 ( 3.971 -0.000 -4.636) 6.104 9.326 ( 10.219 -0.000 2.173) 10.448 9.782 ( 0.922 -0.000 -2.547) 2.708 9.833 ( 3.963 -0.000 1.850) 4.373 10.054 ( -13.563 0.000 2.138) 13.731 10.442 ( 4.103 -0.000 -5.698) 7.022 10.600 ( -8.743 0.000 2.944) 9.226 10.645 ( -1.232 0.000 0.409) 1.298 10.971 ( -5.367 0.000 6.850) 8.702 11.006 ( -5.420 0.000 -2.514) 5.975 11.439 ( -5.227 0.000 0.903) 5.305 11.582 ( 4.033 -0.000 -10.786) 11.515 12.201 ( -13.218 0.000 4.391) 13.928 12.517 ( -18.543 0.000 7.462) 19.988 12.856 ( 15.036 -0.000 10.121) 18.125 13.186 ( -4.193 0.000 -11.114) 11.879 13.249 ( 12.972 -0.000 -12.775) 18.206 13.789 ( 20.001 -0.000 9.185) 22.009 14.257 ( -4.129 0.000 -5.874) 7.180 14.338 ( -9.467 0.000 4.332) 10.411 14.389 ( 3.399 -0.000 5.063) 6.099 14.717 ( 10.809 -0.000 -3.353) 11.317 14.748 ( 1.661 -0.000 0.971) 1.924 14.825 ( 2.732 -0.000 3.184) 4.196 15.300 ( -11.146 0.000 4.948) 12.195 15.435 ( -5.260 0.000 6.663) 8.490 15.533 ( -7.548 0.000 -2.163) 7.852 15.575 ( 6.765 -0.000 -3.087) 7.437 15.649 ( 3.580 -0.000 -4.226) 5.538 15.882 ( 7.270 -0.000 -3.284) 7.977 24.683 ( 0.037 -0.000 2.116) 2.116 24.699 ( 1.039 -0.000 -2.131) 2.371 24.893 ( -1.001 0.000 0.607) 1.171 24.907 ( -0.166 0.000 -0.432) 0.462 25.243 ( -5.361 0.000 -0.877) 5.433 25.468 ( 7.464 -0.000 1.939) 7.712 25.503 ( -4.389 0.000 0.385) 4.406 25.581 ( 0.345 -0.000 -0.053) 0.349 26.005 ( -0.758 0.000 0.505) 0.911 26.082 ( 3.815 -0.000 1.622) 4.146 26.655 ( -20.101 0.000 8.368) 21.773 27.089 ( -17.291 0.000 1.421) 17.350 27.310 ( -2.515 0.000 3.267) 4.123 27.367 ( 2.844 -0.000 -3.190) 4.274 27.929 ( 2.400 -0.000 -3.700) 4.410 28.876 ( 35.098 -0.000 -12.864) 37.381 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -5.202 -17.984 -12.397) 22.454 1.449 ( 9.945 1.644 2.433) 10.370 1.503 ( 1.638 -19.944 -5.575) 20.773 1.652 ( 4.949 -7.730 3.635) 9.873 1.832 ( 11.782 -12.460 3.190) 17.443 1.990 ( 2.798 -7.866 -4.258) 9.372 2.310 ( -0.476 -8.914 -10.421) 13.722 2.375 ( -5.383 -9.623 -7.019) 13.071 2.618 ( -4.174 -5.814 7.210) 10.159 2.819 ( -3.880 -1.123 -7.949) 8.916 2.939 ( -0.742 0.600 8.550) 8.603 2.992 ( 0.982 0.887 -1.849) 2.274 3.172 ( 0.568 -1.786 12.416) 12.557 3.281 ( 7.703 0.229 0.615) 7.731 3.434 ( -6.081 -0.565 4.611) 7.653 3.691 ( -4.943 -5.144 -1.344) 7.260 3.832 ( -1.779 2.774 -0.211) 3.302 3.903 ( -3.781 4.332 4.482) 7.291 4.033 ( -3.929 -6.409 3.798) 8.422 4.200 ( -3.851 2.065 -7.835) 8.972 4.273 ( 2.684 -1.146 -8.057) 8.569 4.531 ( 7.279 7.965 -6.280) 12.485 4.603 ( -2.379 -2.123 -3.975) 5.096 4.906 ( 3.259 -0.959 2.595) 4.275 5.040 ( 1.302 -0.209 -3.625) 3.858 5.111 ( 7.139 -3.002 5.026) 9.232 5.173 ( -0.909 -1.768 -0.366) 2.022 5.302 ( -3.534 -3.481 5.348) 7.295 5.362 ( 0.501 2.951 0.222) 3.001 5.429 ( 2.457 1.273 -1.453) 3.126 5.647 ( 7.710 -0.708 2.621) 8.174 5.719 ( 7.513 0.219 -1.323) 7.632 6.080 ( -2.124 4.618 2.138) 5.515 6.091 ( -3.807 4.300 4.179) 7.102 6.191 ( 0.418 3.123 -3.053) 4.387 6.293 ( -0.655 -0.748 6.596) 6.670 6.367 ( -1.911 -3.210 -0.329) 3.751 6.541 ( -1.272 -0.683 3.129) 3.446 6.763 ( -3.941 8.058 0.717) 8.999 6.858 ( -2.694 -0.605 -2.222) 3.544 7.040 ( -5.139 -2.543 -1.611) 5.956 7.274 ( -4.999 -3.587 -1.851) 6.425 7.400 ( -0.204 -1.820 0.075) 1.833 7.450 ( 1.648 -1.675 1.028) 2.564 7.557 ( -0.606 -3.726 1.824) 4.193 7.609 ( -1.280 1.454 -2.643) 3.277 7.786 ( 2.201 -7.452 -2.267) 8.094 7.817 ( -2.601 -4.534 1.274) 5.380 8.863 ( -8.102 1.766 2.349) 8.619 9.082 ( 0.744 1.181 1.248) 1.872 9.230 ( 3.258 -3.853 -0.723) 5.097 9.473 ( 6.902 -5.299 0.649) 8.726 9.770 ( 1.753 1.301 -0.512) 2.242 9.883 ( -0.962 -1.275 2.177) 2.700 9.965 ( -3.251 -1.363 -3.209) 4.767 10.455 ( 1.547 -1.592 -2.467) 3.319 10.524 ( -7.441 0.072 2.884) 7.980 10.729 ( -1.455 -8.538 -1.834) 8.853 10.906 ( -5.057 5.046 4.659) 8.529 10.965 ( -2.429 1.709 0.705) 3.053 11.365 ( -5.032 2.043 0.809) 5.491 11.503 ( 3.196 4.334 -14.123) 15.114 12.177 ( -12.491 -3.453 7.732) 15.090 12.356 ( -17.551 3.800 0.552) 17.967 12.927 ( 4.290 6.572 9.060) 11.987 13.128 ( 2.616 -1.254 -7.271) 7.829 13.291 ( 15.388 2.149 -12.301) 19.818 13.938 ( 13.577 6.334 3.963) 15.497 14.170 ( 0.876 3.003 -0.338) 3.146 14.304 ( -7.433 -0.548 3.194) 8.108 14.392 ( 3.834 4.294 6.071) 8.366 14.703 ( 2.852 4.203 2.476) 5.650 14.786 ( 3.499 0.997 -3.020) 4.728 14.929 ( 6.526 -3.988 2.124) 7.937 15.152 ( -13.421 5.632 0.958) 14.586 15.313 ( -1.619 7.604 -0.145) 7.775 15.519 ( 0.523 -1.089 1.239) 1.731 15.581 ( 0.504 0.397 3.839) 3.892 15.764 ( 1.752 -6.400 -4.253) 7.882 15.918 ( 3.489 -1.032 -2.847) 4.620 24.697 ( 0.061 -0.381 1.634) 1.679 24.703 ( 1.285 -0.391 -1.520) 2.028 24.888 ( -1.175 -0.204 0.657) 1.361 24.901 ( -0.354 0.091 -0.920) 0.990 25.199 ( -4.269 0.245 -0.582) 4.316 25.458 ( -1.349 1.166 1.333) 2.226 25.543 ( -0.531 0.315 0.603) 0.863 25.572 ( 4.015 -0.429 0.896) 4.136 25.916 ( -0.490 5.358 -2.823) 6.076 26.190 ( 6.080 -2.093 7.749) 10.069 26.653 ( -14.768 -9.384 5.417) 18.317 26.862 ( -25.251 -0.657 -8.633) 26.694 27.343 ( -3.146 -4.861 2.637) 6.363 27.423 ( -0.351 -5.293 -4.419) 6.904 28.036 ( 14.784 -0.792 8.166) 16.908 28.963 ( 26.873 11.196 -13.019) 31.891 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -0.207 -12.995 -4.652) 13.804 1.563 ( 10.171 -11.194 -1.244) 15.176 1.733 ( -1.275 -5.575 1.273) 5.858 1.880 ( 4.064 -13.497 -5.616) 15.173 2.135 ( -4.287 -12.430 -7.158) 14.971 2.200 ( 6.703 -14.896 4.247) 16.877 2.421 ( 10.660 -4.719 -11.756) 16.556 2.493 ( -9.716 -9.422 3.424) 13.961 2.641 ( -5.683 1.759 -2.819) 6.583 2.860 ( -2.135 -6.972 4.359) 8.495 2.934 ( -0.704 -2.286 -1.720) 2.946 3.027 ( -0.210 -1.826 3.828) 4.246 3.250 ( -2.375 -0.285 10.019) 10.300 3.267 ( -2.753 -0.578 1.843) 3.363 3.451 ( -6.587 -0.737 -4.275) 7.887 3.661 ( -5.541 5.764 7.166) 10.736 3.815 ( 5.970 -1.829 0.503) 6.264 3.855 ( -5.978 -2.685 1.689) 6.767 4.111 ( -0.188 -3.670 -9.502) 10.188 4.207 ( 0.836 -4.863 1.882) 5.281 4.285 ( 6.797 -0.237 -6.324) 9.287 4.464 ( 9.478 0.734 -7.244) 11.952 4.604 ( -2.111 -2.492 -4.708) 5.729 4.948 ( -1.053 3.287 0.545) 3.495 5.005 ( 1.260 0.465 -2.318) 2.679 5.132 ( 2.353 2.169 -0.692) 3.274 5.231 ( 5.355 0.537 5.878) 7.970 5.319 ( -0.202 0.146 6.572) 6.577 5.395 ( -1.550 1.358 1.951) 2.838 5.486 ( -3.760 -11.159 0.192) 11.777 5.694 ( 2.538 2.120 1.710) 3.723 5.764 ( 5.908 -0.157 -1.322) 6.056 5.981 ( -2.188 3.611 1.667) 4.540 6.052 ( 1.606 1.305 1.414) 2.506 6.102 ( -2.361 3.632 0.961) 4.437 6.323 ( -1.705 0.114 6.381) 6.605 6.385 ( -0.549 2.368 3.404) 4.183 6.551 ( -1.027 0.521 2.346) 2.614 6.612 ( -3.278 2.045 -1.252) 4.062 6.848 ( 0.028 0.574 -2.022) 2.102 7.085 ( -2.256 -4.933 0.395) 5.439 7.279 ( -6.681 -5.049 -4.443) 9.479 7.411 ( -2.443 2.042 2.692) 4.169 7.484 ( -1.535 -4.687 -4.129) 6.432 7.599 ( -0.343 -3.008 0.757) 3.121 7.657 ( 1.226 -4.846 0.220) 5.004 7.887 ( -2.417 -4.777 3.132) 6.202 7.947 ( 6.160 -6.891 -4.380) 10.229 8.811 ( -8.339 -1.569 6.126) 10.466 9.081 ( 1.124 0.211 0.267) 1.174 9.331 ( 1.637 -4.317 1.668) 4.909 9.556 ( -5.224 -3.808 -3.569) 7.384 9.785 ( 4.000 0.526 0.420) 4.056 9.876 ( -1.163 -1.191 3.837) 4.182 10.068 ( 11.947 -4.356 -5.168) 13.726 10.498 ( 0.145 -2.232 0.849) 2.392 10.510 ( -1.938 -1.991 2.367) 3.650 10.763 ( -7.546 3.436 -1.615) 8.447 10.846 ( -6.954 -2.037 -0.841) 7.295 10.926 ( 7.277 -0.052 0.022) 7.277 11.302 ( 1.695 4.285 -3.570) 5.829 11.386 ( 1.908 3.132 -5.173) 6.342 12.074 ( -18.061 8.564 -0.755) 20.003 12.138 ( -15.306 -0.693 0.933) 15.350 12.922 ( 4.226 2.171 9.057) 10.228 13.115 ( 7.582 3.521 -7.880) 11.488 13.315 ( 10.512 2.114 -6.146) 12.359 13.847 ( 1.854 8.481 -0.774) 8.715 14.150 ( 4.496 5.426 -0.300) 7.053 14.261 ( -4.142 -1.311 3.234) 5.416 14.399 ( 6.389 4.291 6.654) 10.174 14.664 ( -2.210 2.955 3.685) 5.215 14.754 ( 0.395 3.024 -1.051) 3.226 14.893 ( -12.080 6.534 -6.338) 15.126 15.046 ( 5.847 -1.424 1.771) 6.273 15.282 ( 5.655 -0.468 1.251) 5.811 15.533 ( -1.115 0.137 0.589) 1.268 15.569 ( 0.692 3.253 3.933) 5.150 15.828 ( 0.508 -1.825 -3.434) 3.922 15.968 ( -0.036 -3.581 0.859) 3.683 24.715 ( 0.421 -0.812 0.279) 0.956 24.716 ( 0.764 -0.446 0.018) 0.885 24.884 ( -0.426 0.554 -1.321) 1.494 24.890 ( -1.072 -0.504 0.554) 1.308 25.152 ( -2.838 1.274 -0.256) 3.122 25.456 ( -0.204 0.171 4.344) 4.352 25.510 ( -2.402 0.485 -3.027) 3.894 25.599 ( 1.977 1.285 -0.209) 2.367 25.870 ( 2.108 -0.826 -2.039) 3.047 26.244 ( 1.664 4.049 4.535) 6.303 26.681 ( -14.347 -6.343 -3.983) 16.184 26.777 ( -7.697 -9.324 1.865) 12.233 27.437 ( -3.361 -6.044 -0.593) 6.941 27.497 ( -2.719 -8.476 -3.437) 9.542 28.211 ( 10.304 0.530 11.741) 15.630 28.836 ( 18.921 16.882 -10.090) 27.291 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 5.685 1.518 -3.378) 6.784 1.751 ( -7.145 -1.456 7.714) 10.615 1.916 ( 1.131 -13.169 4.916) 14.102 2.066 ( 5.065 -7.436 -12.778) 15.627 2.251 ( -4.579 -9.186 -10.628) 14.776 2.425 ( 1.433 -5.232 -0.564) 5.454 2.478 ( 1.036 6.999 -1.298) 7.193 2.595 ( -3.136 -5.282 2.478) 6.624 2.623 ( 3.452 -11.354 3.225) 12.297 2.917 ( -4.770 1.683 1.451) 5.262 2.997 ( -0.202 -6.685 1.181) 6.791 3.105 ( -0.187 -2.895 5.526) 6.242 3.260 ( -1.441 -1.557 -1.684) 2.709 3.312 ( 1.470 3.559 -4.291) 5.765 3.335 ( -3.016 -3.877 5.776) 7.583 3.597 ( -9.527 -1.036 5.597) 11.098 3.787 ( -3.625 1.483 1.134) 4.078 3.924 ( 6.982 2.161 -2.375) 7.685 4.128 ( -0.084 0.943 -3.042) 3.186 4.284 ( 6.474 1.387 -3.483) 7.481 4.339 ( -0.416 -7.667 -0.801) 7.720 4.524 ( 2.217 -0.291 -4.550) 5.070 4.666 ( 7.998 -7.765 -11.339) 15.901 4.775 ( -2.981 6.764 -1.071) 7.469 5.028 ( -1.041 1.397 0.112) 1.746 5.153 ( 2.052 -1.437 -0.704) 2.602 5.232 ( 1.878 3.468 2.828) 4.853 5.348 ( -5.836 -0.792 0.973) 5.970 5.427 ( 5.450 -1.681 11.785) 13.092 5.626 ( -3.553 -7.870 -0.420) 8.645 5.631 ( -0.131 5.455 -0.697) 5.501 5.827 ( -0.012 -2.709 3.165) 4.166 5.942 ( 1.554 -0.286 -1.056) 1.901 6.042 ( -0.774 2.666 2.034) 3.441 6.084 ( 2.243 0.220 2.859) 3.641 6.293 ( -3.926 4.101 4.407) 7.187 6.355 ( 1.120 -0.588 1.122) 1.691 6.545 ( -1.605 -0.510 -1.267) 2.107 6.621 ( 0.206 -2.788 -0.644) 2.869 6.792 ( -2.962 3.112 -1.312) 4.492 7.151 ( 0.632 -3.397 -0.055) 3.455 7.300 ( -7.339 -4.353 -1.037) 8.596 7.374 ( 0.344 -0.378 0.527) 0.734 7.542 ( 0.956 -3.224 -2.901) 4.441 7.664 ( -0.878 -2.551 1.947) 3.327 7.736 ( 4.341 -1.746 -0.245) 4.685 7.968 ( -2.268 -4.243 2.963) 5.650 8.070 ( 4.918 -3.626 -4.623) 7.662 8.836 ( -6.200 -3.377 8.916) 11.373 9.087 ( 0.331 0.504 0.842) 1.035 9.410 ( -0.278 -2.794 0.519) 2.855 9.536 ( -7.840 -3.749 -5.524) 10.297 9.805 ( 0.778 0.123 3.735) 3.817 9.951 ( 3.205 -2.856 1.099) 4.431 10.163 ( 13.058 2.599 -6.506) 14.819 10.509 ( -1.162 0.809 2.866) 3.196 10.586 ( 2.686 0.490 3.269) 4.260 10.681 ( -1.137 -2.874 -4.132) 5.160 10.756 ( -4.179 2.613 3.204) 5.878 11.054 ( 2.761 -8.264 -5.536) 10.323 11.180 ( -0.361 5.338 -9.763) 11.133 11.349 ( 1.643 8.412 6.616) 10.827 11.802 ( -11.931 0.851 -2.641) 12.249 12.023 ( -10.485 -0.136 0.172) 10.487 12.962 ( 3.443 3.500 5.095) 7.076 13.096 ( 5.531 0.108 -1.363) 5.698 13.318 ( 8.398 3.770 -5.170) 10.557 13.720 ( -1.608 4.926 -1.005) 5.278 14.068 ( 1.053 4.260 -0.931) 4.486 14.290 ( -3.941 -2.013 1.794) 4.775 14.416 ( 1.892 3.478 4.881) 6.285 14.547 ( -3.314 3.949 0.691) 5.201 14.691 ( -2.360 0.452 -0.441) 2.443 14.759 ( -2.594 0.397 -4.711) 5.392 15.105 ( 3.222 0.450 3.276) 4.617 15.321 ( 4.626 3.299 -2.978) 6.414 15.535 ( 0.311 -1.267 2.864) 3.147 15.547 ( 0.900 1.336 1.786) 2.405 15.821 ( 0.758 0.840 -1.822) 2.145 16.030 ( -1.744 -2.950 1.250) 3.648 24.726 ( 0.540 0.005 -0.023) 0.541 24.736 ( 0.040 -0.963 0.349) 1.025 24.859 ( -0.086 0.982 -0.959) 1.376 24.899 ( -0.739 -0.989 0.220) 1.254 25.112 ( -1.716 1.045 1.067) 2.275 25.444 ( -4.284 0.095 -4.937) 6.537 25.493 ( 3.182 0.496 4.627) 5.638 25.605 ( 1.124 -0.561 0.764) 1.470 25.888 ( 0.876 0.252 -2.360) 2.530 26.182 ( -4.863 0.642 -1.477) 5.123 26.719 ( 0.340 -4.604 1.719) 4.926 26.911 ( -1.508 -7.060 3.952) 8.230 27.477 ( -1.861 -2.982 -2.887) 4.549 27.644 ( -4.938 -11.375 -1.156) 12.455 28.280 ( 3.957 4.486 7.046) 9.243 28.614 ( 10.465 15.950 -6.438) 20.134 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.899 5.614 2.926) 6.609 1.764 ( -6.301 -1.823 6.649) 9.339 2.018 ( -0.704 3.659 -2.997) 4.782 2.115 ( 1.199 -0.785 -1.911) 2.389 2.290 ( -2.172 -3.047 -9.175) 9.909 2.329 ( -2.821 3.212 -2.513) 4.959 2.521 ( 3.506 0.491 8.246) 8.974 2.651 ( -1.811 -2.094 3.351) 4.347 2.794 ( -2.103 7.030 -0.720) 7.373 2.911 ( 5.388 -10.726 3.969) 12.642 3.023 ( -1.064 1.058 -0.195) 1.513 3.227 ( 0.170 -2.868 -0.189) 2.879 3.234 ( 3.020 0.010 4.793) 5.665 3.351 ( 6.707 -1.982 -2.602) 7.462 3.442 ( 1.575 -4.197 1.907) 4.871 3.566 ( -10.829 -2.183 1.788) 11.191 3.774 ( -2.012 -3.533 2.572) 4.811 3.869 ( 3.860 5.485 -3.927) 7.772 4.064 ( -2.494 1.875 -3.204) 4.472 4.208 ( -3.904 2.758 -9.407) 10.552 4.435 ( 1.685 -0.321 -3.902) 4.263 4.490 ( -0.528 5.338 5.659) 7.797 4.650 ( 2.196 2.915 4.233) 5.588 4.872 ( 10.567 -5.635 -5.230) 13.068 4.973 ( -3.435 0.210 -2.390) 4.190 5.162 ( -0.927 -0.235 -3.294) 3.430 5.198 ( 0.739 3.090 2.084) 3.800 5.321 ( -4.977 -1.790 -1.742) 5.569 5.525 ( 1.032 5.789 0.864) 5.944 5.572 ( 3.657 -2.624 7.949) 9.135 5.697 ( -3.396 -3.736 -2.943) 5.844 5.852 ( 0.596 1.133 1.990) 2.366 6.001 ( -0.384 2.827 -1.941) 3.451 6.021 ( 5.471 -2.870 1.827) 6.442 6.052 ( -4.504 2.440 4.866) 7.065 6.266 ( 0.473 -1.358 0.515) 1.527 6.377 ( 1.311 -0.907 -3.830) 4.148 6.519 ( -4.748 -0.684 -5.133) 7.025 6.651 ( 0.428 -0.649 -0.977) 1.249 6.711 ( -4.922 0.742 1.385) 5.167 7.229 ( 4.572 -2.725 -0.650) 5.362 7.308 ( -5.032 -3.145 2.649) 6.498 7.433 ( 3.893 -0.865 5.762) 7.007 7.578 ( 2.311 -0.666 -1.460) 2.813 7.670 ( -0.155 1.982 0.016) 1.988 7.789 ( 3.631 0.325 0.448) 3.673 8.010 ( -1.572 -0.798 1.131) 2.094 8.095 ( 1.830 1.457 -4.746) 5.291 8.907 ( -2.582 -3.050 8.924) 9.778 9.065 ( -1.103 2.411 1.815) 3.213 9.423 ( -4.499 -0.948 -0.345) 4.611 9.510 ( -4.555 -2.112 -4.952) 7.052 9.824 ( -1.012 0.788 4.604) 4.779 9.991 ( 1.252 -0.353 -5.474) 5.626 10.185 ( 17.085 4.061 -5.860) 18.513 10.536 ( -1.909 -2.019 9.964) 10.344 10.581 ( 0.583 0.101 -1.383) 1.504 10.627 ( 2.577 5.870 0.819) 6.463 10.814 ( -5.498 -5.293 3.691) 8.477 11.003 ( -3.142 6.596 -9.084) 11.658 11.136 ( -5.838 6.189 -2.213) 8.791 11.206 ( 0.839 -6.114 -4.694) 7.753 11.890 ( 1.564 -11.417 4.591) 12.405 12.054 ( 0.639 -8.122 3.314) 8.796 12.918 ( 0.976 3.932 0.747) 4.119 13.170 ( 3.461 -2.164 1.877) 4.493 13.248 ( 6.200 8.143 -4.363) 11.126 13.632 ( -5.122 1.433 -1.075) 5.426 14.024 ( 0.069 0.876 -0.464) 0.994 14.201 ( -9.410 4.044 -1.920) 10.421 14.389 ( 0.362 -2.451 2.449) 3.484 14.625 ( 2.973 -4.374 4.082) 6.681 14.689 ( -0.086 -1.182 -0.270) 1.216 14.719 ( -1.829 -1.433 -4.559) 5.117 15.116 ( -0.429 1.914 4.710) 5.102 15.248 ( 1.322 4.380 -2.614) 5.269 15.532 ( 0.263 0.142 -0.899) 0.948 15.589 ( 2.565 -0.326 -0.603) 2.655 15.822 ( 2.646 0.208 1.321) 2.965 16.047 ( -2.549 -0.763 -0.652) 2.740 24.724 ( 0.037 0.598 0.131) 0.614 24.745 ( -0.218 -0.011 -0.427) 0.479 24.849 ( 0.405 -0.052 0.643) 0.761 24.911 ( -0.249 -0.713 -0.302) 0.813 25.103 ( -1.072 -0.207 3.187) 3.369 25.390 ( -3.035 -1.084 -6.514) 7.268 25.545 ( 2.877 -0.159 5.488) 6.198 25.635 ( 2.754 -0.076 1.566) 3.169 25.857 ( -1.373 1.286 -1.581) 2.457 26.126 ( -6.949 -1.648 -5.586) 9.067 26.852 ( 7.889 -3.533 6.507) 10.819 27.023 ( 2.923 -2.929 1.946) 4.572 27.506 ( 1.263 -2.257 -0.616) 2.658 27.771 ( -5.142 -7.401 -1.607) 9.154 28.184 ( 0.377 9.676 1.293) 9.769 28.408 ( -0.385 9.067 -3.661) 9.786 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -2.290 6.201 9.698) 11.736 1.690 ( -2.346 7.010 -10.732) 13.031 1.909 ( -1.698 6.951 14.744) 16.389 2.046 ( 5.648 11.141 -3.320) 12.924 2.143 ( -7.744 9.101 0.816) 11.978 2.278 ( -2.130 3.536 -8.001) 9.003 2.546 ( 6.078 7.502 13.151) 16.315 2.670 ( -1.884 -0.313 4.823) 5.187 2.745 ( 5.252 -1.472 2.520) 6.008 2.981 ( -1.435 1.907 -4.683) 5.256 3.067 ( 1.985 1.086 1.027) 2.485 3.141 ( 4.273 10.391 3.299) 11.710 3.278 ( 0.352 -0.403 -0.105) 0.545 3.400 ( -5.124 3.958 -6.227) 8.983 3.509 ( -1.495 -5.015 -3.087) 6.076 3.581 ( 2.052 -7.976 3.550) 8.968 3.765 ( -0.884 4.243 -3.815) 5.774 3.887 ( -3.778 -4.967 3.269) 7.045 4.057 ( -1.488 -3.500 2.600) 4.607 4.092 ( -0.448 0.254 -7.710) 7.727 4.291 ( -1.098 8.500 1.411) 8.686 4.462 ( 5.528 5.381 1.400) 7.840 4.711 ( 4.126 -1.598 7.320) 8.554 4.940 ( 0.550 -0.034 3.134) 3.182 4.993 ( 2.342 -2.578 -9.180) 9.819 5.115 ( -0.197 1.586 -5.252) 5.490 5.162 ( -2.695 0.145 -0.264) 2.712 5.290 ( -0.419 0.007 -7.855) 7.866 5.480 ( -0.398 1.151 4.123) 4.299 5.614 ( -2.808 -0.318 -1.928) 3.421 5.661 ( -1.912 6.667 2.950) 7.537 5.810 ( 3.218 7.788 -0.495) 8.441 5.921 ( -3.895 0.334 5.464) 6.719 6.035 ( 4.439 -0.662 -2.960) 5.376 6.130 ( 2.179 -3.387 0.878) 4.122 6.305 ( -1.594 -2.795 -2.522) 4.089 6.374 ( -0.516 -1.345 -5.840) 6.015 6.442 ( -6.369 -1.424 -5.783) 8.720 6.663 ( -1.543 -1.585 3.087) 3.798 6.733 ( 0.061 -4.107 -0.045) 4.108 7.284 ( 5.443 2.777 2.467) 6.590 7.341 ( -2.048 -0.717 3.741) 4.325 7.514 ( 3.487 -0.587 7.521) 8.311 7.579 ( 0.453 3.825 2.376) 4.526 7.612 ( 2.751 2.591 -2.865) 4.742 7.774 ( 1.015 3.256 -2.426) 4.185 7.985 ( -0.508 2.399 -0.822) 2.586 8.012 ( -0.370 5.345 -3.488) 6.393 8.971 ( -1.483 -1.249 6.050) 6.353 9.012 ( -1.496 2.882 2.295) 3.977 9.370 ( -8.472 1.081 2.214) 8.824 9.472 ( 0.400 1.580 -5.918) 6.138 9.800 ( 0.493 2.826 1.818) 3.396 9.941 ( 0.392 2.769 -6.959) 7.501 10.269 ( 20.689 2.380 -3.400) 21.101 10.458 ( -9.490 6.159 3.908) 11.969 10.605 ( 3.120 -1.603 0.476) 3.540 10.667 ( -5.773 -4.467 2.934) 7.867 10.855 ( -1.945 -2.435 2.947) 4.289 10.929 ( 1.845 -4.296 2.677) 5.388 10.994 ( -6.630 1.634 -0.001) 6.828 11.323 ( 3.880 -7.789 -9.606) 12.962 12.179 ( -0.607 -13.798 9.793) 16.931 12.321 ( 9.030 -14.302 1.239) 16.959 12.856 ( -3.143 2.670 0.208) 4.129 13.058 ( 1.505 9.915 -8.289) 13.011 13.280 ( 8.311 -0.736 4.378) 9.422 13.560 ( -9.526 -0.801 -1.645) 9.700 14.022 ( -1.184 -0.955 0.703) 1.676 14.105 ( -4.784 -2.654 -2.417) 5.981 14.479 ( 5.419 -2.590 0.777) 6.056 14.628 ( -5.976 0.201 -0.519) 6.001 14.726 ( -2.674 -1.369 3.813) 4.854 14.790 ( 2.123 -5.320 -2.808) 6.379 15.111 ( -1.976 -0.915 4.279) 4.801 15.180 ( 0.965 2.182 -2.149) 3.211 15.536 ( 0.874 -0.462 -0.964) 1.381 15.596 ( 2.170 0.167 -2.604) 3.394 15.849 ( 2.901 1.580 2.957) 4.433 16.009 ( -2.363 1.463 -3.165) 4.212 24.708 ( -0.288 1.183 0.468) 1.304 24.732 ( -0.113 0.519 -1.223) 1.333 24.869 ( 0.312 -0.682 1.849) 1.995 24.916 ( 0.147 -0.245 -0.692) 0.748 25.139 ( -0.499 -2.168 5.553) 5.982 25.365 ( -2.054 -2.189 -6.433) 7.099 25.582 ( 0.903 1.132 3.730) 4.001 25.673 ( 5.000 0.825 0.893) 5.146 25.814 ( -1.969 0.984 1.389) 2.603 26.069 ( -7.246 -2.559 -6.516) 10.075 27.009 ( 4.622 -2.218 7.106) 8.762 27.096 ( 6.532 -1.170 -0.459) 6.652 27.609 ( 13.017 -3.542 1.626) 13.588 27.756 ( -1.045 5.908 -1.550) 6.197 28.018 ( -6.916 6.317 -0.393) 9.375 28.224 ( -10.144 3.355 -4.142) 11.459 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -6.131 5.537 13.818) 16.099 1.447 ( 3.942 14.204 -0.886) 14.768 1.793 ( -0.244 18.468 0.657) 18.481 1.822 ( -1.666 13.155 -5.848) 14.492 1.885 ( 5.299 10.980 7.654) 14.395 2.099 ( -1.345 9.432 -10.489) 14.170 2.508 ( 6.724 11.142 17.664) 21.940 2.692 ( -3.374 1.348 3.678) 5.170 2.801 ( 5.101 6.054 2.406) 8.274 2.884 ( -3.337 2.841 2.350) 4.972 2.970 ( 0.924 9.304 5.130) 10.664 3.047 ( 2.916 5.272 0.099) 6.025 3.173 ( -5.563 7.440 -2.217) 9.550 3.214 ( -6.916 2.990 -11.588) 13.822 3.587 ( -1.701 -3.686 -4.958) 6.408 3.621 ( -0.275 -4.178 -7.384) 8.488 3.793 ( 0.055 1.621 13.157) 13.256 3.926 ( -0.488 -2.837 2.838) 4.042 4.070 ( -2.521 -3.682 -0.767) 4.528 4.185 ( 0.141 -5.913 -7.045) 9.199 4.250 ( 4.393 -1.289 5.693) 7.305 4.422 ( 7.648 2.788 -4.597) 9.349 4.779 ( 3.146 3.388 8.120) 9.344 4.920 ( -2.248 2.061 -8.984) 9.487 5.009 ( 1.774 -1.469 0.527) 2.362 5.047 ( -0.618 0.906 -2.070) 2.342 5.196 ( -2.057 -5.360 -2.827) 6.399 5.245 ( 0.792 -0.922 -7.785) 7.879 5.468 ( 0.163 8.159 5.174) 9.662 5.492 ( -6.155 3.873 3.000) 7.866 5.573 ( -1.110 3.537 -0.865) 3.807 5.635 ( 5.779 9.023 -5.341) 11.972 5.986 ( -1.782 -5.065 5.806) 7.908 6.094 ( 1.567 -3.218 -3.389) 4.929 6.192 ( 2.154 -0.914 2.343) 3.311 6.294 ( -5.204 -2.185 -6.980) 8.976 6.377 ( 2.142 -2.030 1.846) 3.481 6.460 ( -4.406 -6.149 -4.676) 8.893 6.717 ( -1.672 -3.313 4.996) 6.224 6.811 ( 1.527 -4.086 -3.034) 5.314 7.252 ( 0.532 5.214 4.333) 6.800 7.307 ( 1.770 4.202 -0.857) 4.639 7.493 ( -0.511 4.766 4.101) 6.308 7.573 ( 0.173 3.224 4.095) 5.215 7.587 ( 1.940 1.236 -2.013) 3.057 7.669 ( -0.470 5.932 -2.522) 6.463 7.895 ( 0.060 5.423 -0.174) 5.426 7.924 ( -0.436 2.998 -2.663) 4.034 8.964 ( -5.816 -0.313 3.915) 7.018 9.011 ( 2.424 -0.261 1.128) 2.686 9.279 ( -6.839 2.989 3.745) 8.350 9.396 ( 4.989 5.923 -5.120) 9.284 9.777 ( 1.433 1.168 0.758) 1.998 9.852 ( 1.269 3.143 -6.020) 6.908 10.281 ( -11.269 3.854 4.777) 12.832 10.385 ( 14.090 1.244 -5.065) 15.024 10.647 ( -9.051 -0.986 1.709) 9.264 10.675 ( 6.051 -0.626 -0.564) 6.109 10.951 ( -5.802 -3.126 0.862) 6.646 10.966 ( 3.016 -6.008 0.471) 6.739 11.137 ( 1.062 -9.614 14.361) 17.314 11.450 ( 7.136 -7.427 -12.798) 16.428 12.410 ( -7.169 -8.559 12.798) 16.983 12.634 ( 0.086 -10.232 -5.179) 11.468 12.747 ( -6.298 4.691 1.610) 8.016 12.900 ( 10.133 3.480 -7.755) 13.226 13.402 ( 14.046 -0.632 2.447) 14.271 13.470 ( -12.487 -0.813 -3.182) 12.912 14.080 ( -0.388 -5.560 3.953) 6.833 14.167 ( -1.184 -7.415 -3.200) 8.162 14.522 ( -5.606 0.734 2.161) 6.053 14.579 ( 3.650 1.475 -2.536) 4.683 14.744 ( -4.092 -2.247 4.488) 6.475 14.846 ( 3.655 -0.049 -4.431) 5.744 15.160 ( -3.330 -6.246 4.123) 8.191 15.201 ( -0.241 -3.570 -0.338) 3.594 15.549 ( 0.566 -0.002 1.162) 1.293 15.598 ( 0.427 -0.592 -2.514) 2.618 15.835 ( 2.852 4.290 3.288) 6.111 15.927 ( -0.148 3.675 -5.683) 6.769 24.687 ( -0.273 1.151 1.124) 1.632 24.717 ( 0.233 0.388 -1.689) 1.748 24.889 ( -0.224 -0.368 1.717) 1.770 24.916 ( 0.238 0.049 -0.775) 0.812 25.227 ( -0.422 -4.123 6.785) 7.950 25.361 ( -0.552 -1.925 -5.546) 5.897 25.562 ( -0.691 2.593 2.818) 3.891 25.637 ( 0.077 3.554 -3.961) 5.323 25.870 ( 3.943 -2.947 7.920) 9.325 26.029 ( -6.171 -2.879 -6.395) 9.341 27.060 ( -1.761 0.550 5.466) 5.769 27.150 ( 0.050 -0.408 -1.543) 1.597 27.574 ( -0.490 11.875 -0.187) 11.886 27.668 ( -2.574 12.861 -7.764) 15.242 27.996 ( 21.896 -7.608 7.280) 24.296 28.124 ( -12.220 -4.955 -4.364) 13.890 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -2.220 0.000 -16.560) 16.708 1.111 ( -0.540 0.000 -13.666) 13.677 1.574 ( 4.249 -0.000 -22.007) 22.414 1.641 ( 10.779 -0.000 9.291) 14.231 1.837 ( 10.804 -0.000 4.119) 11.562 1.931 ( 0.356 -0.000 6.586) 6.595 2.160 ( -8.839 0.000 7.929) 11.874 2.267 ( 12.250 -0.000 -16.442) 20.504 2.593 ( 2.879 -0.000 6.245) 6.877 2.719 ( -6.956 0.000 -10.574) 12.657 2.951 ( -2.743 0.000 1.740) 3.248 3.057 ( 3.582 -0.000 8.734) 9.441 3.212 ( -3.946 0.000 11.519) 12.176 3.326 ( 4.004 -0.000 -3.731) 5.473 3.418 ( -2.687 0.000 3.359) 4.301 3.533 ( -12.292 0.000 -0.012) 12.292 3.893 ( 3.637 -0.000 2.851) 4.621 3.905 ( -3.925 0.000 -2.766) 4.802 3.948 ( -7.950 0.000 6.097) 10.019 4.073 ( -4.499 0.000 -18.333) 18.877 4.313 ( 5.135 -0.000 3.781) 6.376 4.578 ( 1.745 -0.000 -1.408) 2.242 4.603 ( 3.721 -0.000 -11.485) 12.073 4.907 ( -3.790 0.000 -0.765) 3.867 5.047 ( 1.427 -0.000 0.423) 1.488 5.138 ( 3.234 -0.000 3.393) 4.687 5.172 ( 10.369 -0.000 2.890) 10.764 5.276 ( -3.164 0.000 5.046) 5.956 5.442 ( 0.161 -0.000 5.638) 5.640 5.442 ( 1.120 -0.000 -3.595) 3.765 5.708 ( 9.727 -0.000 -1.764) 9.885 5.787 ( 4.898 -0.000 1.965) 5.277 6.121 ( -0.115 0.000 6.150) 6.151 6.193 ( -3.592 0.000 -3.616) 5.097 6.230 ( -3.341 0.000 3.581) 4.897 6.252 ( 7.062 -0.000 -0.860) 7.114 6.330 ( -1.555 0.000 9.962) 10.083 6.532 ( -3.700 0.000 2.759) 4.615 6.728 ( -12.420 0.000 -5.447) 13.562 6.823 ( -1.566 0.000 -0.306) 1.595 6.985 ( -3.589 0.000 -3.158) 4.781 7.186 ( -4.021 0.000 -0.276) 4.030 7.355 ( -2.583 0.000 -0.585) 2.649 7.480 ( -0.682 0.000 4.188) 4.243 7.566 ( 1.151 -0.000 0.757) 1.378 7.649 ( -1.980 0.000 1.274) 2.355 7.668 ( -1.283 0.000 -0.952) 1.598 7.742 ( 5.803 -0.000 -5.094) 7.722 8.817 ( -8.827 0.000 0.280) 8.832 9.110 ( -2.295 0.000 4.948) 5.454 9.206 ( 5.842 -0.000 -5.864) 8.278 9.437 ( -2.073 0.000 -4.858) 5.281 9.800 ( 1.967 -0.000 0.944) 2.182 9.860 ( -1.904 0.000 2.359) 3.031 9.962 ( 6.392 -0.000 1.254) 6.514 10.411 ( -4.698 0.000 -1.597) 4.962 10.462 ( -3.791 0.000 0.310) 3.804 10.635 ( -0.935 0.000 0.562) 1.091 10.964 ( 1.492 -0.000 -0.226) 1.509 10.984 ( -4.049 0.000 8.973) 9.845 11.271 ( -14.208 0.000 0.129) 14.209 11.487 ( 2.819 -0.000 -15.551) 15.804 12.136 ( -6.393 0.000 7.727) 10.029 12.225 ( -17.285 0.000 -4.511) 17.864 13.006 ( -1.568 0.000 -5.787) 5.996 13.159 ( 6.381 -0.000 11.609) 13.247 13.391 ( 18.874 -0.000 -16.133) 24.829 14.073 ( -1.829 0.000 -2.670) 3.236 14.244 ( -6.700 0.000 3.674) 7.641 14.283 ( 14.533 -0.000 7.957) 16.569 14.479 ( 1.525 -0.000 5.066) 5.291 14.797 ( 1.512 -0.000 -5.212) 5.427 14.829 ( 5.563 -0.000 0.354) 5.574 14.928 ( 2.334 -0.000 7.150) 7.521 15.094 ( -11.847 0.000 0.062) 11.848 15.429 ( -2.846 0.000 5.315) 6.029 15.458 ( -0.278 0.000 0.392) 0.480 15.653 ( 5.259 -0.000 -2.228) 5.712 15.672 ( 0.595 -0.000 1.420) 1.540 15.914 ( 2.161 -0.000 -4.676) 5.151 24.702 ( 1.664 -0.000 -1.793) 2.446 24.703 ( -0.305 0.000 1.706) 1.733 24.879 ( -1.258 0.000 0.486) 1.349 24.893 ( -0.528 0.000 -0.925) 1.065 25.165 ( -3.671 0.000 0.500) 3.705 25.443 ( -3.520 0.000 1.675) 3.898 25.546 ( -1.095 0.000 -2.338) 2.582 25.616 ( 5.830 -0.000 0.296) 5.838 26.013 ( -0.367 0.000 2.029) 2.062 26.191 ( 4.625 -0.000 3.776) 5.971 26.489 ( -11.730 0.000 9.544) 15.122 26.565 ( -23.335 0.000 -16.534) 28.599 27.293 ( -3.118 0.000 2.818) 4.203 27.357 ( 1.270 -0.000 -4.942) 5.102 28.237 ( 15.178 -0.000 17.934) 23.494 29.197 ( 22.708 -0.000 -16.953) 28.338 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 1.635 -23.500 -5.700) 24.236 1.382 ( 1.912 -24.460 -13.175) 27.849 1.516 ( 4.431 -4.171 -19.046) 19.994 1.811 ( 8.962 -3.945 4.189) 10.650 1.969 ( -2.191 -2.511 3.947) 5.166 2.018 ( 4.979 -8.836 6.021) 11.795 2.246 ( -2.610 -9.369 1.679) 9.869 2.384 ( 10.200 -7.539 -6.449) 14.229 2.577 ( -8.468 0.223 -7.096) 11.050 2.738 ( 4.182 -6.679 3.960) 8.819 2.936 ( 1.393 1.935 -0.473) 2.430 3.047 ( -3.553 3.077 7.089) 8.505 3.252 ( -3.586 0.846 1.364) 3.929 3.270 ( -8.130 1.378 5.688) 10.017 3.368 ( -5.331 -0.336 -1.314) 5.501 3.594 ( -5.045 -9.963 0.815) 11.197 3.835 ( 0.043 2.711 5.473) 6.107 3.871 ( -4.080 3.252 4.441) 6.852 3.981 ( -0.180 -2.427 -12.085) 12.328 4.041 ( 2.894 -9.384 -7.768) 12.521 4.359 ( 5.266 1.844 2.330) 6.047 4.524 ( 3.871 2.891 -9.447) 10.611 4.591 ( 3.004 1.532 -2.670) 4.301 4.904 ( -5.302 -5.535 -1.406) 7.793 5.034 ( -0.914 2.276 -2.102) 3.230 5.191 ( -1.059 2.355 0.236) 2.593 5.264 ( 4.380 -4.196 6.718) 9.052 5.337 ( 4.347 -1.507 2.051) 5.037 5.371 ( 1.637 3.548 -1.128) 4.067 5.480 ( 1.371 1.341 11.004) 11.170 5.775 ( 5.337 0.054 -2.012) 5.704 5.814 ( 3.792 1.944 1.263) 4.444 6.075 ( -0.515 7.831 1.674) 8.025 6.126 ( 0.864 2.843 0.770) 3.069 6.146 ( -0.526 3.345 1.812) 3.840 6.350 ( -4.674 -1.563 6.411) 8.087 6.378 ( 2.683 -0.944 4.491) 5.316 6.498 ( -5.429 -0.520 1.321) 5.611 6.657 ( -6.973 0.448 -3.838) 7.972 6.790 ( -0.854 -1.685 -0.738) 2.029 6.996 ( -0.139 -4.635 -0.403) 4.655 7.152 ( -4.867 -0.473 -2.863) 5.666 7.368 ( -2.344 -4.144 -1.859) 5.111 7.454 ( -5.965 3.461 2.693) 7.404 7.561 ( 1.169 -0.770 1.323) 1.926 7.599 ( 1.419 -2.480 1.129) 3.072 7.774 ( -3.706 -6.912 3.003) 8.398 7.861 ( 10.143 -6.123 -7.622) 14.088 8.744 ( -8.989 -0.564 3.882) 9.807 9.098 ( -1.514 0.799 2.750) 3.239 9.255 ( 0.140 -3.569 -2.627) 4.434 9.405 ( -4.566 -5.099 -11.279) 13.193 9.820 ( 1.162 0.484 2.730) 3.006 9.888 ( 3.309 -0.544 1.694) 3.757 10.088 ( 11.701 -3.982 4.450) 13.136 10.424 ( -1.462 -4.973 -1.655) 5.441 10.467 ( 0.463 -1.585 0.407) 1.700 10.649 ( -2.851 -2.432 -2.182) 4.337 10.883 ( -6.948 5.883 7.706) 11.927 11.003 ( 2.838 0.941 -0.935) 3.133 11.218 ( -13.298 -6.151 2.591) 14.879 11.413 ( 5.197 3.053 -12.484) 13.863 12.026 ( -13.302 2.600 -10.274) 17.007 12.065 ( -12.091 4.430 5.031) 13.825 13.003 ( 5.271 -0.522 0.164) 5.299 13.221 ( 3.811 3.504 5.980) 7.909 13.442 ( 17.145 2.917 -11.901) 21.074 13.965 ( -5.112 5.576 -2.534) 7.978 14.214 ( -5.152 -0.527 3.337) 6.161 14.336 ( 7.207 8.398 3.478) 11.600 14.547 ( 4.005 0.075 8.481) 9.379 14.721 ( -5.810 3.124 -3.871) 7.648 14.798 ( 3.489 3.879 -0.907) 5.295 14.893 ( -10.081 8.030 -2.207) 13.076 15.086 ( 8.521 -1.870 3.224) 9.301 15.353 ( 4.440 2.791 1.603) 5.484 15.527 ( -0.617 -1.142 0.959) 1.614 15.658 ( -0.934 2.042 8.100) 8.405 15.750 ( 0.335 -5.486 -1.848) 5.799 15.917 ( 1.221 -1.580 -3.425) 3.964 24.708 ( -0.070 -0.338 0.419) 0.543 24.714 ( 1.140 -0.534 -0.628) 1.407 24.872 ( -1.331 -0.241 0.500) 1.442 24.883 ( -0.394 0.153 -1.137) 1.213 25.142 ( -2.936 0.183 1.367) 3.243 25.440 ( -2.375 -1.284 2.868) 3.939 25.499 ( -1.868 1.708 -3.999) 4.732 25.653 ( 3.198 0.490 -2.142) 3.880 25.909 ( 0.792 5.626 0.219) 5.686 26.296 ( -9.508 3.961 -8.462) 13.330 26.402 ( -1.485 -13.054 2.670) 13.406 26.554 ( -6.700 -9.525 5.252) 12.775 27.314 ( -3.229 -3.958 2.274) 5.592 27.370 ( 0.351 -3.035 -4.992) 5.853 28.420 ( 8.644 3.233 20.605) 22.577 29.179 ( 17.893 10.835 -16.347) 26.547 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 4.827 -18.101 2.152) 18.857 1.608 ( -1.999 -11.781 -4.873) 12.905 1.668 ( 0.663 -11.442 -6.012) 12.942 1.938 ( 3.095 -3.384 0.201) 4.590 2.039 ( 3.702 -6.608 -5.900) 9.601 2.276 ( 1.109 -12.021 0.663) 12.091 2.405 ( -2.768 -9.500 -5.972) 11.558 2.480 ( -6.750 -3.485 1.269) 7.702 2.591 ( 8.525 -4.711 0.496) 9.752 2.895 ( -2.647 -2.354 5.002) 6.130 2.903 ( -0.652 -1.014 1.595) 2.000 3.044 ( -1.052 -4.230 3.222) 5.421 3.159 ( -7.136 -2.422 -2.262) 7.868 3.285 ( -4.193 -1.974 2.532) 5.281 3.345 ( 1.789 -0.465 -0.911) 2.060 3.604 ( -6.241 3.101 2.840) 7.525 3.796 ( -4.465 1.437 7.034) 8.455 3.915 ( -0.298 -3.935 -1.520) 4.228 4.060 ( 4.787 -6.365 -5.190) 9.507 4.172 ( 0.951 -7.552 -9.470) 12.150 4.366 ( 6.085 2.397 0.145) 6.542 4.534 ( 1.711 -0.616 -8.833) 9.018 4.558 ( 9.402 -1.493 -3.024) 9.989 4.892 ( -4.094 6.900 -1.359) 8.138 4.975 ( -4.327 -4.392 -2.160) 6.533 5.136 ( -2.748 -0.188 -1.225) 3.014 5.297 ( -1.494 2.417 0.321) 2.859 5.338 ( 0.212 1.511 1.286) 1.996 5.482 ( 4.314 -6.114 4.980) 8.989 5.548 ( 4.125 2.245 13.787) 14.564 5.762 ( 5.314 4.927 1.427) 7.386 5.813 ( 1.303 -0.177 0.514) 1.412 5.961 ( -2.192 3.472 -0.297) 4.117 6.092 ( -1.293 1.486 0.328) 1.997 6.138 ( 3.900 1.197 4.362) 5.973 6.333 ( -6.121 2.264 6.312) 9.079 6.405 ( -0.264 2.105 4.748) 5.201 6.471 ( -2.723 -1.100 -3.826) 4.823 6.588 ( -0.014 -0.844 -2.865) 2.986 6.796 ( -4.339 1.071 -0.929) 4.565 7.094 ( -0.459 -4.623 1.594) 4.911 7.135 ( -2.711 -4.623 -5.087) 7.390 7.358 ( -2.739 -0.452 0.149) 2.780 7.452 ( -0.997 -5.054 -1.341) 5.323 7.626 ( 2.312 -3.193 2.734) 4.798 7.713 ( 3.314 -5.514 1.131) 6.532 7.869 ( -3.982 -5.579 3.789) 7.832 8.004 ( 6.904 -5.580 -7.465) 11.598 8.755 ( -7.499 -4.320 9.880) 13.135 9.095 ( -1.428 -0.243 1.894) 2.385 9.285 ( -5.997 -4.617 -3.192) 8.214 9.429 ( 2.239 -4.217 -10.051) 11.128 9.832 ( -0.515 0.540 4.743) 4.802 9.933 ( 3.006 -1.249 -1.959) 3.799 10.282 ( 14.507 -1.053 0.928) 14.575 10.511 ( -0.317 -3.201 0.138) 3.220 10.545 ( 4.002 -6.434 3.199) 8.225 10.610 ( -3.712 1.864 -3.242) 5.269 10.803 ( -5.715 0.368 6.262) 8.486 10.990 ( 1.369 0.773 -4.288) 4.567 11.203 ( -3.731 1.411 -4.737) 6.193 11.410 ( 1.526 -4.108 3.316) 5.496 11.743 ( -15.128 10.199 -6.983) 19.536 11.922 ( -8.247 0.144 -4.581) 9.435 13.089 ( 7.184 -0.301 4.685) 8.582 13.177 ( 3.737 5.951 0.723) 7.064 13.457 ( 12.868 4.582 -5.961) 14.903 13.795 ( -5.754 6.449 -1.807) 8.830 14.181 ( -1.615 4.624 1.726) 5.193 14.259 ( 1.210 2.466 3.640) 4.560 14.518 ( -8.605 9.067 3.066) 12.870 14.617 ( -6.474 -2.300 -5.975) 9.105 14.664 ( 4.952 7.592 -2.232) 9.336 14.749 ( -0.575 3.006 0.109) 3.063 15.172 ( 5.675 0.845 2.664) 6.326 15.397 ( 5.898 1.405 -1.789) 6.322 15.533 ( 0.558 -1.078 2.258) 2.564 15.627 ( -0.883 3.951 6.044) 7.274 15.821 ( 0.087 -2.127 0.597) 2.211 15.956 ( -0.719 -3.227 -0.665) 3.372 24.719 ( -0.635 -0.894 0.770) 1.340 24.731 ( 1.315 -0.367 -0.630) 1.503 24.867 ( -0.188 0.407 -0.829) 0.942 24.874 ( -1.077 -0.683 -0.027) 1.276 25.121 ( -2.080 0.697 2.401) 3.253 25.405 ( -3.058 2.006 -5.652) 6.733 25.496 ( 0.329 -2.960 2.593) 3.949 25.644 ( 2.244 1.103 -0.380) 2.529 25.875 ( -0.341 -0.045 -0.606) 0.697 26.120 ( -7.331 2.183 -8.162) 11.186 26.634 ( 2.369 -9.211 6.540) 11.542 26.749 ( -1.064 -11.696 4.344) 12.522 27.384 ( -1.790 -4.568 -0.811) 4.973 27.428 ( -1.905 -7.292 -2.291) 7.877 28.468 ( 2.253 6.909 15.821) 17.411 28.970 ( 12.125 17.296 -13.690) 25.171 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 5.962 4.969 4.116) 8.785 1.685 ( -8.274 -4.774 9.019) 13.137 1.921 ( -1.967 -15.081 -3.062) 15.514 1.999 ( 0.115 -3.898 -10.118) 10.843 2.157 ( 7.001 -5.037 -8.138) 11.858 2.333 ( -5.060 -0.522 -9.451) 10.733 2.494 ( -0.612 -7.667 5.921) 9.707 2.589 ( -1.419 -5.397 2.383) 6.068 2.792 ( 5.526 -9.431 6.135) 12.535 2.856 ( -3.414 2.167 6.614) 7.752 3.009 ( -0.881 -4.814 -2.092) 5.322 3.132 ( -3.808 -3.409 3.667) 6.290 3.196 ( 5.134 -6.192 -3.114) 8.625 3.330 ( -1.560 -4.954 0.868) 5.266 3.424 ( 3.839 -3.172 3.645) 6.171 3.513 ( -3.433 2.959 3.739) 5.875 3.776 ( -2.514 1.866 5.105) 5.989 3.928 ( -1.108 0.317 -5.454) 5.575 4.067 ( 1.285 2.985 -6.734) 7.477 4.153 ( -5.762 1.305 -11.462) 12.895 4.411 ( 3.074 -1.276 -0.439) 3.357 4.519 ( 2.125 -2.342 -2.945) 4.321 4.757 ( 3.073 1.111 3.676) 4.918 4.768 ( 8.022 -4.466 -6.674) 11.351 4.962 ( -4.313 -0.662 0.730) 4.424 5.139 ( -2.405 -1.984 -2.445) 3.962 5.247 ( -2.140 1.246 0.630) 2.555 5.291 ( -1.948 2.446 0.333) 3.145 5.556 ( -0.408 1.962 4.033) 4.503 5.621 ( 2.878 -0.089 1.016) 3.053 5.742 ( 5.544 4.778 9.606) 12.076 5.864 ( 3.091 -2.243 2.525) 4.579 5.941 ( -1.299 -3.381 0.708) 3.691 6.043 ( -2.699 2.381 -0.637) 3.655 6.168 ( 3.852 3.151 3.372) 6.012 6.258 ( -5.272 1.034 4.116) 6.769 6.380 ( 0.005 1.975 1.477) 2.466 6.451 ( -1.350 -0.067 -6.499) 6.638 6.616 ( 0.775 -2.196 -2.611) 3.499 6.697 ( -6.002 2.437 -1.045) 6.561 7.173 ( -2.295 -5.688 0.355) 6.144 7.186 ( -0.109 -4.754 -1.974) 5.149 7.429 ( 2.070 -5.370 3.039) 6.508 7.527 ( 0.461 -4.691 -2.643) 5.404 7.711 ( 3.993 -0.481 3.295) 5.199 7.816 ( 2.251 -1.618 1.420) 3.115 7.951 ( -3.445 -4.817 3.459) 6.858 8.078 ( 3.067 -1.921 -7.088) 7.958 8.853 ( -5.970 -5.354 13.448) 15.658 9.090 ( -2.059 0.276 0.992) 2.302 9.301 ( -4.765 -3.818 -1.949) 6.410 9.464 ( 4.353 -2.172 -9.896) 11.027 9.842 ( -1.964 0.206 5.191) 5.553 9.957 ( 2.231 -1.213 -5.346) 5.919 10.378 ( 15.792 3.573 0.242) 16.193 10.548 ( -0.789 -0.917 2.360) 2.652 10.552 ( -0.127 -0.585 -3.158) 3.214 10.656 ( -12.089 -1.817 6.735) 13.957 10.830 ( 8.698 0.156 0.542) 8.716 10.943 ( -3.574 0.935 -5.897) 6.958 11.125 ( 4.175 1.976 -4.592) 6.513 11.325 ( -8.650 15.215 -2.060) 17.623 11.641 ( -7.237 -14.476 7.058) 17.656 11.915 ( 0.926 -7.250 -7.306) 10.334 13.073 ( 3.433 7.885 3.983) 9.478 13.181 ( 4.097 -0.342 0.071) 4.112 13.424 ( 6.597 6.437 -0.731) 9.246 13.634 ( -4.760 4.665 -3.673) 7.610 14.087 ( 2.083 5.330 0.456) 5.741 14.236 ( -6.229 8.234 -1.623) 10.452 14.323 ( -4.340 -3.874 5.261) 7.844 14.597 ( -4.345 -4.357 -7.704) 9.860 14.655 ( 6.791 1.464 -0.073) 6.948 14.686 ( -3.108 1.966 1.726) 4.062 15.190 ( 1.393 2.635 4.588) 5.471 15.341 ( 1.879 4.982 -3.813) 6.549 15.554 ( -0.902 1.889 2.955) 3.621 15.615 ( 3.074 0.718 1.038) 3.323 15.858 ( 3.411 -0.684 1.521) 3.797 15.988 ( -2.963 -2.131 -0.733) 3.723 24.731 ( -0.520 -0.338 0.605) 0.866 24.741 ( 0.745 -0.022 -0.173) 0.766 24.857 ( 0.511 0.250 -0.174) 0.594 24.883 ( -0.965 -1.345 -0.422) 1.708 25.113 ( -1.438 0.292 4.119) 4.373 25.325 ( -1.724 0.464 -7.431) 7.642 25.571 ( 0.810 -2.114 4.755) 5.266 25.665 ( 3.029 -0.578 1.401) 3.387 25.856 ( -1.796 0.713 -1.472) 2.429 26.011 ( -5.497 -0.258 -6.891) 8.819 26.842 ( 3.620 -7.022 6.989) 10.548 26.951 ( 1.120 -8.239 2.442) 8.665 27.454 ( 2.359 -4.593 -0.888) 5.239 27.553 ( -3.709 -9.504 -2.053) 10.406 28.385 ( -1.567 9.791 9.154) 13.495 28.658 ( 5.402 18.086 -9.927) 21.327 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -3.957 6.824 9.862) 12.629 1.715 ( 4.565 2.194 -8.024) 9.489 1.980 ( -4.331 -0.740 4.852) 6.546 2.093 ( -0.110 -5.782 -3.162) 6.591 2.246 ( 5.440 -0.764 -4.407) 7.043 2.259 ( -1.535 1.461 -4.788) 5.236 2.638 ( -0.133 -3.783 6.256) 7.312 2.645 ( -2.777 -1.830 5.270) 6.232 2.821 ( 2.901 2.495 4.251) 5.720 2.961 ( -1.066 0.770 -6.624) 6.753 3.061 ( 3.535 -5.601 6.922) 9.581 3.213 ( -2.959 -6.085 -1.947) 7.040 3.309 ( -1.217 0.133 3.349) 3.566 3.415 ( -6.564 2.198 6.781) 9.690 3.431 ( 0.236 0.270 -7.107) 7.116 3.504 ( 8.455 -2.443 1.324) 8.900 3.781 ( -1.969 -3.623 2.604) 4.877 3.835 ( -1.709 4.319 -3.161) 5.619 4.024 ( 3.366 -0.610 -3.269) 4.731 4.043 ( -2.124 0.739 -7.086) 7.434 4.404 ( -2.571 2.368 2.814) 4.487 4.553 ( 3.474 0.912 -5.143) 6.273 4.740 ( 2.092 -0.061 4.077) 4.583 4.842 ( -2.934 -3.403 -5.797) 7.335 5.025 ( 5.913 0.058 2.509) 6.423 5.107 ( -1.314 1.506 -2.951) 3.564 5.214 ( -0.815 3.427 1.714) 3.917 5.258 ( -0.104 -1.077 -2.269) 2.513 5.529 ( 0.704 2.550 0.248) 2.657 5.561 ( -3.194 1.414 -2.490) 4.290 5.795 ( 3.624 2.471 9.488) 10.453 5.903 ( 0.660 2.239 -0.469) 2.381 5.947 ( -7.311 2.887 5.165) 9.406 6.030 ( 4.792 -3.339 -1.985) 6.169 6.162 ( 3.711 1.214 2.845) 4.831 6.236 ( -2.693 0.713 -2.835) 3.974 6.348 ( -2.685 0.262 -1.436) 3.056 6.375 ( -0.874 2.480 -4.804) 5.477 6.621 ( -3.736 -1.323 1.976) 4.429 6.676 ( 2.292 -2.754 -2.394) 4.309 7.256 ( -4.164 -5.912 2.492) 7.649 7.300 ( 4.188 -5.326 -0.921) 6.838 7.543 ( -0.663 -2.889 4.396) 5.302 7.601 ( 2.516 -3.300 -1.667) 4.472 7.721 ( 4.141 5.074 2.987) 7.199 7.802 ( -2.034 2.837 -2.640) 4.376 7.999 ( -1.268 -0.894 1.364) 2.065 8.059 ( 1.051 2.064 -4.331) 4.911 8.946 ( -7.772 -2.923 12.322) 14.859 9.060 ( -0.926 1.807 1.131) 2.324 9.311 ( -3.607 -1.084 1.581) 4.084 9.486 ( 7.733 -0.692 -9.886) 12.570 9.838 ( -3.157 0.951 4.155) 5.304 9.964 ( 5.129 0.397 -7.176) 8.830 10.458 ( 13.060 1.366 1.682) 13.238 10.478 ( -14.237 5.467 -0.263) 15.253 10.584 ( 1.489 -0.458 2.090) 2.606 10.598 ( -2.962 -3.541 -0.318) 4.627 10.850 ( 1.844 4.324 2.428) 5.291 10.860 ( -2.148 1.703 -2.020) 3.405 11.069 ( 0.752 4.627 0.571) 4.723 11.175 ( 3.437 -5.608 -8.112) 10.444 11.912 ( -7.504 -16.168 10.361) 20.617 12.116 ( 6.597 -14.392 -6.603) 17.154 12.976 ( 0.871 8.066 6.018) 10.101 13.149 ( 0.230 4.697 -8.430) 9.653 13.370 ( -1.775 2.444 7.725) 8.295 13.524 ( 2.497 2.970 -6.126) 7.251 14.039 ( 1.951 2.385 0.540) 3.128 14.067 ( -3.110 3.285 -1.916) 4.912 14.445 ( 1.099 -5.755 5.890) 8.308 14.569 ( -5.669 -0.395 -3.974) 6.934 14.682 ( -0.391 -3.238 0.557) 3.308 14.711 ( 1.680 -2.915 -1.180) 3.565 15.147 ( -3.189 3.904 5.772) 7.663 15.250 ( 2.608 4.717 -3.215) 6.276 15.537 ( -0.545 0.262 1.424) 1.547 15.610 ( 2.530 1.372 -3.630) 4.632 15.914 ( 4.394 0.045 2.719) 5.167 15.974 ( -3.610 -0.415 -2.210) 4.253 24.727 ( 0.085 0.674 0.269) 0.731 24.737 ( -0.084 0.653 -0.413) 0.777 24.870 ( 0.448 -0.628 1.371) 1.573 24.897 ( -0.452 -1.174 -1.003) 1.608 25.134 ( -1.412 -1.052 6.192) 6.437 25.286 ( 0.068 -1.192 -7.403) 7.498 25.620 ( -0.386 -0.109 5.100) 5.116 25.710 ( 2.666 -0.422 -1.762) 3.224 25.829 ( 0.043 0.400 3.058) 3.085 25.951 ( -4.069 -1.136 -6.309) 7.593 26.991 ( -1.627 -4.087 6.192) 7.595 27.078 ( 1.032 -4.432 -0.273) 4.558 27.608 ( 8.443 -7.213 0.256) 11.108 27.662 ( -1.470 -7.415 -3.907) 8.509 28.202 ( -2.576 12.164 5.378) 13.547 28.336 ( -0.615 15.275 -6.320) 16.542 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -3.946 5.760 8.717) 11.169 1.637 ( 9.218 6.480 -9.097) 14.481 1.932 ( -7.769 7.592 5.857) 12.341 2.110 ( 3.169 4.033 -1.499) 5.344 2.149 ( 6.622 9.623 1.815) 11.822 2.209 ( 3.430 7.881 -5.047) 9.967 2.664 ( -4.277 -1.049 4.759) 6.484 2.710 ( -0.072 0.307 6.225) 6.233 2.858 ( -1.107 0.494 -2.335) 2.630 2.868 ( 0.921 1.350 -4.161) 4.470 3.087 ( -3.618 5.203 5.147) 8.164 3.177 ( -7.661 6.413 -6.980) 12.188 3.229 ( -2.584 0.261 1.836) 3.181 3.302 ( -0.942 8.874 5.819) 10.653 3.478 ( 0.610 -6.626 -0.534) 6.676 3.588 ( 5.022 3.535 -5.129) 8.002 3.832 ( 0.447 -5.493 8.305) 9.967 3.849 ( -2.626 -3.301 -0.015) 4.218 4.015 ( 1.263 -1.029 0.577) 1.728 4.085 ( 5.528 -3.366 -7.727) 10.080 4.344 ( -0.166 4.846 5.920) 7.652 4.497 ( 5.009 4.536 -10.097) 12.150 4.803 ( -4.255 -2.680 3.337) 6.035 4.879 ( 1.294 -4.651 -2.974) 5.671 5.009 ( -1.560 1.010 1.697) 2.516 5.077 ( 2.434 2.527 -3.244) 4.779 5.136 ( -1.029 4.242 3.076) 5.340 5.240 ( 3.304 1.303 -7.274) 8.094 5.493 ( -2.153 1.312 3.522) 4.331 5.562 ( 1.694 -1.808 -1.411) 2.851 5.715 ( -2.351 11.016 5.920) 12.725 5.809 ( -1.064 5.107 -2.656) 5.854 5.945 ( 0.571 -0.550 3.470) 3.560 6.050 ( 2.915 1.194 -5.946) 6.729 6.170 ( -6.720 -2.252 -2.956) 7.679 6.221 ( 3.826 -1.360 4.171) 5.821 6.329 ( -3.321 -2.260 -0.664) 4.072 6.363 ( 1.926 -1.478 1.258) 2.734 6.661 ( -1.962 -3.347 2.873) 4.828 6.753 ( 3.795 -3.520 -2.093) 5.584 7.301 ( -4.826 -0.737 1.193) 5.025 7.384 ( 3.376 1.126 0.047) 3.559 7.534 ( -6.561 1.036 2.765) 7.195 7.634 ( 1.842 3.518 -2.469) 4.676 7.663 ( 0.032 1.880 2.051) 2.782 7.707 ( 0.822 3.749 -3.628) 5.281 7.968 ( -1.215 3.202 0.000) 3.425 7.996 ( 1.781 4.698 -0.848) 5.096 8.938 ( -8.622 0.652 7.121) 11.202 9.044 ( 1.066 1.029 1.765) 2.305 9.297 ( -2.289 1.441 4.526) 5.273 9.512 ( 10.468 2.285 -5.936) 12.249 9.791 ( -4.215 2.016 1.687) 4.968 9.947 ( 9.002 4.027 -7.146) 12.179 10.243 ( -16.569 3.967 -0.533) 17.046 10.508 ( 3.736 1.562 -1.776) 4.422 10.573 ( -2.544 1.587 3.078) 4.298 10.699 ( 6.824 -3.474 -0.104) 7.658 10.812 ( -6.403 -2.379 1.687) 7.036 10.909 ( 6.355 -6.251 3.619) 9.621 11.109 ( 1.262 -1.453 6.565) 6.841 11.281 ( 6.494 -8.658 -14.834) 18.362 12.167 ( -11.134 -14.828 9.927) 21.033 12.395 ( 0.608 -13.844 -6.162) 15.165 12.849 ( -3.466 8.776 7.833) 12.264 13.005 ( 4.463 4.951 -9.191) 11.353 13.343 ( -7.616 -0.843 -0.241) 7.666 13.545 ( 13.083 0.270 -0.776) 13.108 14.039 ( 1.389 -0.518 1.968) 2.464 14.058 ( 1.680 -3.476 -1.214) 4.047 14.478 ( -8.003 0.514 1.026) 8.085 14.606 ( 4.926 -4.131 1.573) 6.619 14.692 ( -4.442 0.314 2.951) 5.342 14.821 ( 4.491 -6.338 -2.581) 8.185 15.084 ( -6.055 0.822 4.749) 7.739 15.201 ( 3.286 2.144 -1.720) 4.285 15.545 ( -0.536 -1.092 0.372) 1.272 15.583 ( 0.463 0.957 -3.703) 3.853 15.927 ( -2.270 0.786 -4.040) 4.700 15.943 ( 3.712 2.395 2.864) 5.265 24.713 ( 0.241 1.251 0.653) 1.431 24.721 ( 0.128 0.567 -0.888) 1.062 24.890 ( -0.196 -0.477 1.512) 1.597 24.905 ( -0.194 -0.599 -1.114) 1.280 25.185 ( -3.036 -2.705 5.751) 7.043 25.298 ( 3.129 -2.515 -4.838) 6.286 25.615 ( -2.446 1.826 3.500) 4.644 25.673 ( -0.904 2.703 -3.842) 4.784 25.890 ( 0.396 -1.139 2.965) 3.201 25.934 ( 2.971 -2.673 -0.755) 4.067 27.017 ( -8.699 -0.600 5.112) 10.108 27.123 ( -3.336 -2.100 -2.042) 4.439 27.654 ( -5.327 0.088 -3.571) 6.413 27.824 ( 5.159 4.241 -6.516) 9.331 28.032 ( -0.243 6.189 0.825) 6.248 28.119 ( 12.646 0.836 3.343) 13.107 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 7.667 -0.000 -10.087) 12.670 1.015 ( 2.124 -0.000 -10.113) 10.334 1.432 ( 10.020 -0.000 -14.593) 17.701 1.747 ( -3.093 0.000 -1.305) 3.357 1.996 ( -4.451 0.000 4.246) 6.152 2.049 ( 10.575 -0.000 7.280) 12.838 2.234 ( 1.517 -0.000 9.058) 9.184 2.296 ( 6.897 -0.000 -7.849) 10.448 2.439 ( -9.877 0.000 -10.471) 14.394 2.758 ( 9.488 -0.000 -2.275) 9.757 2.987 ( 3.741 -0.000 6.478) 7.481 3.142 ( -2.037 0.000 2.523) 3.242 3.173 ( -8.323 0.000 4.912) 9.664 3.257 ( -6.151 0.000 -3.901) 7.284 3.291 ( -13.989 0.000 0.436) 13.996 3.440 ( -2.283 0.000 3.371) 4.071 3.834 ( -4.778 0.000 -2.036) 5.194 3.904 ( -4.311 0.000 6.905) 8.141 3.946 ( 6.777 -0.000 -9.814) 11.926 3.947 ( 7.199 -0.000 -4.575) 8.530 4.429 ( 2.733 -0.000 2.971) 4.037 4.557 ( 5.518 -0.000 -8.226) 9.906 4.610 ( 2.740 -0.000 -1.186) 2.986 4.752 ( -10.170 0.000 -2.122) 10.389 5.025 ( -1.053 0.000 -3.323) 3.485 5.172 ( -6.021 0.000 -1.733) 6.265 5.335 ( 7.740 -0.000 9.549) 12.292 5.369 ( 4.596 -0.000 -2.117) 5.060 5.439 ( 1.899 -0.000 0.448) 1.951 5.576 ( 3.197 -0.000 14.792) 15.134 5.797 ( 5.406 -0.000 -4.290) 6.901 5.859 ( 1.396 -0.000 2.745) 3.079 6.088 ( -4.052 0.000 -3.308) 5.230 6.222 ( -1.129 0.000 10.034) 10.097 6.241 ( 1.989 -0.000 -0.545) 2.063 6.355 ( 7.467 -0.000 -4.768) 8.859 6.397 ( -2.212 0.000 2.676) 3.471 6.479 ( -7.357 0.000 5.259) 9.043 6.482 ( -6.259 0.000 0.464) 6.276 6.805 ( -0.709 0.000 -0.531) 0.885 6.931 ( 1.222 -0.000 -1.211) 1.720 7.118 ( -2.211 0.000 -2.682) 3.476 7.296 ( -3.430 0.000 0.253) 3.439 7.433 ( -8.280 0.000 1.905) 8.497 7.577 ( -5.803 0.000 3.999) 7.048 7.605 ( 3.133 -0.000 -0.502) 3.173 7.673 ( 0.047 -0.000 2.319) 2.320 7.852 ( 11.123 -0.000 -9.058) 14.345 8.685 ( -7.390 0.000 2.878) 7.930 9.082 ( -7.095 0.000 1.034) 7.170 9.224 ( -4.528 0.000 -10.936) 11.837 9.229 ( 3.791 -0.000 -5.421) 6.615 9.851 ( 0.267 -0.000 4.199) 4.208 9.920 ( 3.728 -0.000 -0.035) 3.728 10.179 ( 10.137 -0.000 9.991) 14.233 10.380 ( 4.931 -0.000 -1.558) 5.171 10.467 ( 3.007 -0.000 0.883) 3.134 10.611 ( -2.350 0.000 0.151) 2.355 10.929 ( -11.020 0.000 1.866) 11.176 10.999 ( 1.547 -0.000 -5.925) 6.124 11.019 ( -16.795 0.000 10.292) 19.697 11.447 ( 8.799 -0.000 -9.251) 12.767 11.885 ( -8.809 0.000 -14.530) 16.991 12.031 ( -12.179 0.000 1.392) 12.259 13.057 ( 9.344 -0.000 1.481) 9.461 13.310 ( 0.135 -0.000 7.241) 7.242 13.558 ( 18.294 -0.000 -12.249) 22.016 13.929 ( -10.054 0.000 -3.110) 10.524 14.192 ( -3.403 0.000 3.482) 4.869 14.505 ( -1.139 0.000 -2.307) 2.573 14.560 ( 1.640 -0.000 5.660) 5.893 14.678 ( -4.227 0.000 2.473) 4.897 14.903 ( -2.663 0.000 -1.230) 2.933 14.903 ( 3.315 -0.000 -1.557) 3.663 15.185 ( 11.172 -0.000 6.503) 12.927 15.450 ( -0.107 0.000 3.318) 3.320 15.483 ( 1.268 -0.000 1.060) 1.653 15.670 ( -2.395 0.000 -1.742) 2.962 15.698 ( -3.529 0.000 8.228) 8.953 15.900 ( 4.262 -0.000 -5.867) 7.252 24.704 ( -1.243 0.000 0.966) 1.575 24.714 ( 1.853 -0.000 -1.840) 2.611 24.863 ( -1.182 0.000 0.598) 1.324 24.875 ( -0.292 0.000 -0.852) 0.901 25.131 ( -2.678 0.000 3.314) 4.261 25.424 ( -1.648 0.000 2.900) 3.335 25.473 ( -2.064 0.000 -6.178) 6.514 25.642 ( -0.861 0.000 -5.810) 5.873 26.022 ( -1.409 0.000 2.166) 2.584 26.117 ( -3.968 0.000 -10.293) 11.031 26.365 ( 6.020 -0.000 1.456) 6.194 26.428 ( -7.521 0.000 8.939) 11.682 27.268 ( -2.824 0.000 2.341) 3.668 27.328 ( 1.442 -0.000 -4.715) 4.931 28.628 ( 2.400 -0.000 25.392) 25.505 29.330 ( 16.112 -0.000 -19.130) 25.011 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 5.592 -24.379 -1.509) 25.058 1.252 ( -4.469 -22.203 -11.151) 25.245 1.538 ( 13.191 -4.477 0.446) 13.937 1.868 ( 2.287 -13.160 0.586) 13.370 2.020 ( -7.325 -0.425 4.758) 8.745 2.126 ( -0.110 -5.327 4.858) 7.210 2.203 ( 0.748 -0.484 -13.298) 13.328 2.329 ( -3.894 -3.208 -6.520) 8.244 2.515 ( 5.474 -9.443 6.022) 12.466 2.848 ( 3.177 -3.814 -4.153) 6.472 3.002 ( 0.753 5.802 0.752) 5.899 3.050 ( -9.831 1.846 3.717) 10.671 3.050 ( -2.122 2.952 5.173) 6.323 3.218 ( 0.666 -3.331 -1.689) 3.794 3.318 ( -2.572 -3.293 1.491) 4.437 3.491 ( -7.090 -6.662 -1.663) 9.870 3.816 ( -4.526 -2.583 0.788) 5.270 3.876 ( -2.125 3.565 7.964) 8.980 4.007 ( 2.639 -5.673 -7.459) 9.736 4.020 ( 10.044 -3.187 -7.703) 13.053 4.441 ( 3.264 0.939 2.257) 4.078 4.546 ( 5.515 2.801 -3.613) 7.163 4.618 ( 2.495 1.144 -0.594) 2.808 4.735 ( -9.664 -7.294 -3.556) 12.619 4.977 ( 0.643 2.929 -3.653) 4.726 5.098 ( -6.159 0.590 -2.532) 6.685 5.351 ( 0.719 2.765 -0.485) 2.898 5.377 ( 0.009 3.125 -1.372) 3.413 5.517 ( 7.839 -2.515 11.010) 13.747 5.671 ( 2.025 0.310 10.918) 11.109 5.822 ( 4.566 0.407 -1.093) 4.713 5.878 ( 2.483 1.121 2.108) 3.445 6.048 ( -4.001 -0.272 -2.085) 4.520 6.077 ( 0.455 10.247 -4.783) 11.318 6.223 ( -3.556 1.421 8.705) 9.510 6.339 ( -0.873 1.386 3.700) 4.046 6.426 ( -2.135 -0.354 -1.844) 2.843 6.497 ( 2.374 1.959 8.278) 8.832 6.521 ( -0.351 -4.778 -6.034) 7.705 6.767 ( -3.077 0.980 -0.739) 3.313 6.999 ( 0.661 -4.019 0.236) 4.080 7.080 ( -0.163 -0.000 -3.360) 3.364 7.317 ( -0.050 -2.912 -1.464) 3.260 7.358 ( -6.813 -0.910 1.396) 7.014 7.596 ( -1.536 -3.966 4.446) 6.153 7.649 ( 3.480 -3.057 -0.187) 4.636 7.747 ( -3.682 -5.678 4.013) 7.868 7.925 ( 7.053 -4.362 -9.897) 12.912 8.677 ( -5.929 -2.795 8.999) 11.133 9.036 ( -6.049 -2.910 -4.408) 8.031 9.184 ( 0.768 -1.976 -3.849) 4.394 9.289 ( 1.176 -5.893 -7.786) 9.835 9.864 ( -0.749 0.779 4.480) 4.609 9.943 ( 3.349 0.284 -1.773) 3.800 10.354 ( 6.466 -4.469 9.326) 12.197 10.455 ( 5.555 -3.004 -1.355) 6.459 10.536 ( 7.233 -1.420 1.065) 7.448 10.601 ( 0.033 -0.486 0.825) 0.958 10.777 ( -12.087 2.896 2.206) 12.623 10.926 ( -7.880 -2.475 -6.456) 10.483 11.086 ( -5.600 -5.853 9.085) 12.172 11.455 ( 7.425 2.087 -6.141) 9.859 11.741 ( -1.760 3.905 -12.761) 13.460 11.871 ( -11.927 4.636 -2.587) 13.055 13.164 ( 10.244 -0.466 3.013) 10.689 13.300 ( -0.820 3.528 3.720) 5.192 13.615 ( 13.922 3.666 -7.156) 16.078 13.792 ( -11.266 2.378 -3.119) 11.929 14.191 ( -1.389 0.026 4.384) 4.599 14.410 ( -4.169 3.580 -2.180) 5.912 14.523 ( -1.191 5.788 -0.093) 5.909 14.639 ( -3.784 6.233 3.324) 8.014 14.814 ( 0.916 6.404 -1.259) 6.591 14.847 ( 2.201 6.106 -1.330) 6.625 15.272 ( 7.396 2.896 4.515) 9.137 15.456 ( 3.142 2.030 -1.487) 4.026 15.520 ( 1.530 -2.737 1.818) 3.625 15.679 ( -3.372 -1.504 -0.542) 3.732 15.727 ( -6.520 -4.332 10.742) 13.292 15.930 ( 6.088 -1.276 -5.464) 8.279 24.701 ( -1.370 -0.596 0.906) 1.747 24.727 ( 1.711 -0.706 -1.693) 2.509 24.856 ( -1.210 0.003 0.709) 1.403 24.870 ( 0.135 0.092 -0.812) 0.828 25.129 ( -2.366 0.302 4.863) 5.417 25.393 ( -1.891 2.288 -7.814) 8.359 25.456 ( -0.164 -2.594 2.675) 3.729 25.612 ( -1.740 -2.230 -5.622) 6.293 25.930 ( -0.403 5.456 2.639) 6.075 26.074 ( -1.881 1.616 -7.195) 7.610 26.502 ( 0.004 -9.677 6.792) 11.823 26.554 ( 1.291 -11.086 2.795) 11.505 27.286 ( -2.433 -3.285 1.854) 4.489 27.338 ( 1.591 -2.252 -4.178) 5.006 28.696 ( -2.849 6.228 22.750) 23.759 29.251 ( 12.703 11.161 -18.986) 25.424 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -6.678 -15.637 2.336) 17.164 1.500 ( 0.345 -23.472 -0.214) 23.475 1.769 ( 12.667 -3.233 5.893) 14.340 1.904 ( -8.651 4.064 0.452) 9.569 2.102 ( -5.104 -7.827 -10.366) 13.956 2.132 ( 3.806 -4.476 -10.706) 12.212 2.319 ( -2.388 -12.536 5.106) 13.745 2.435 ( 1.418 -10.979 -3.685) 11.668 2.736 ( 4.829 -6.228 5.406) 9.557 2.837 ( -5.480 -3.850 -2.533) 7.160 2.974 ( -0.108 2.632 12.674) 12.944 3.050 ( -4.431 -3.170 3.222) 6.329 3.106 ( 4.027 -6.420 -1.900) 7.813 3.242 ( 2.868 -1.292 -7.276) 7.927 3.403 ( 1.001 -4.432 5.060) 6.800 3.518 ( -1.792 -3.615 -4.294) 5.893 3.813 ( -5.193 1.162 8.280) 9.843 3.877 ( -1.349 -0.890 4.218) 4.517 4.051 ( -0.770 -1.518 -7.627) 7.815 4.086 ( 6.975 -1.398 -14.156) 15.843 4.449 ( -3.246 4.309 2.566) 5.974 4.495 ( 1.802 0.645 -1.390) 2.366 4.713 ( 11.802 -6.354 -1.388) 13.475 4.742 ( -10.871 -4.770 -2.800) 12.197 4.954 ( 5.206 1.365 2.196) 5.813 5.032 ( -5.110 -1.327 -4.461) 6.911 5.290 ( -0.164 3.567 0.821) 3.664 5.316 ( -0.517 2.304 -1.638) 2.874 5.664 ( 3.777 3.089 6.078) 7.794 5.681 ( -0.253 -0.028 7.359) 7.364 5.855 ( 2.663 -0.055 1.169) 2.909 5.896 ( -3.134 3.121 -2.246) 4.961 5.922 ( 8.203 1.612 3.357) 9.009 6.008 ( -5.796 -0.340 -3.818) 6.949 6.240 ( 0.495 -0.066 6.567) 6.586 6.283 ( -4.552 4.229 4.397) 7.612 6.411 ( -0.419 -0.079 -1.812) 1.862 6.472 ( 2.465 3.564 -0.589) 4.374 6.586 ( 3.712 -1.513 1.157) 4.172 6.679 ( -6.452 2.728 -2.743) 7.523 7.055 ( -2.694 -3.698 0.430) 4.595 7.112 ( 3.358 -3.987 -4.053) 6.603 7.357 ( -1.087 -4.396 2.316) 5.086 7.419 ( 1.622 -5.444 -2.944) 6.398 7.706 ( 0.805 -5.337 4.124) 6.793 7.761 ( 1.232 -5.579 -0.775) 5.766 7.837 ( -5.465 -5.930 6.155) 10.145 8.010 ( 4.753 -4.694 -9.274) 11.429 8.770 ( -7.505 -5.492 16.109) 18.601 9.036 ( -2.118 -3.003 -3.462) 5.049 9.235 ( 2.996 -2.671 -0.834) 4.100 9.363 ( 3.276 -6.070 -11.985) 13.829 9.861 ( -1.657 0.931 4.141) 4.556 9.949 ( 3.004 0.321 -3.230) 4.423 10.449 ( -9.451 -3.571 3.357) 10.646 10.539 ( 0.531 -0.144 -2.157) 2.226 10.580 ( 11.770 3.074 3.643) 12.698 10.628 ( -3.342 1.308 2.516) 4.382 10.747 ( -0.602 -6.823 1.137) 6.943 10.918 ( 1.038 -4.119 -7.770) 8.855 11.210 ( 1.857 -3.489 9.565) 10.349 11.396 ( -9.942 5.560 -5.250) 12.542 11.571 ( 6.624 7.416 2.248) 10.195 11.753 ( -1.758 -3.645 -11.677) 12.358 13.218 ( -0.107 3.736 1.468) 4.016 13.248 ( 6.328 3.202 0.133) 7.093 13.545 ( -9.187 5.439 3.658) 11.286 13.683 ( 6.670 4.045 -7.753) 10.999 14.213 ( 2.078 1.805 5.771) 6.394 14.298 ( -5.075 5.308 0.850) 7.393 14.379 ( 1.947 9.588 0.236) 9.787 14.471 ( -4.483 1.436 -5.430) 7.186 14.728 ( -2.191 4.596 1.363) 5.271 14.758 ( 3.553 4.537 -1.242) 5.895 15.279 ( 1.885 3.262 4.445) 5.827 15.381 ( -2.031 2.475 -4.777) 5.751 15.601 ( 0.777 0.731 3.799) 3.946 15.666 ( 1.743 0.748 -0.477) 1.956 15.812 ( -5.439 -5.186 7.057) 10.309 15.968 ( 5.913 -0.067 -5.094) 7.805 24.713 ( -1.244 -1.153 1.265) 2.116 24.746 ( 1.570 -0.544 -1.317) 2.120 24.852 ( -1.327 -0.372 0.537) 1.479 24.867 ( 0.738 0.077 -0.740) 1.048 25.130 ( -2.294 0.521 6.233) 6.662 25.301 ( 0.172 1.804 -8.353) 8.547 25.542 ( 0.786 -4.032 4.313) 5.956 25.633 ( -0.992 -3.662 -3.461) 5.136 25.866 ( -1.282 2.694 3.434) 4.549 25.980 ( -0.872 2.899 -6.162) 6.866 26.735 ( 0.968 -10.834 5.344) 12.119 26.786 ( 0.865 -11.458 1.038) 11.538 27.364 ( -0.585 -6.484 0.286) 6.517 27.397 ( 2.216 -4.758 -3.083) 6.087 28.609 ( -5.319 10.539 16.627) 20.392 28.973 ( 6.718 17.921 -16.144) 25.039 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -10.061 1.892 7.620) 12.762 1.816 ( 9.760 1.476 2.639) 10.218 1.869 ( -4.226 -9.563 -4.216) 11.273 1.893 ( 0.143 -10.936 1.074) 10.989 2.132 ( -5.403 -8.052 -8.823) 13.110 2.229 ( 6.904 -4.104 -3.048) 8.590 2.552 ( 0.065 -8.377 3.655) 9.140 2.587 ( 0.384 -6.288 1.195) 6.412 2.857 ( -1.296 -2.637 1.356) 3.236 2.905 ( 1.494 -4.804 -1.249) 5.184 3.038 ( -1.369 -1.920 5.379) 5.873 3.073 ( -1.701 -4.392 6.224) 7.805 3.208 ( -4.243 -5.009 -4.803) 8.134 3.348 ( 6.481 -7.413 -4.898) 10.997 3.450 ( -2.451 0.368 4.160) 4.842 3.584 ( 7.390 -0.409 -3.136) 8.038 3.774 ( -4.769 2.352 7.149) 8.910 3.861 ( -0.795 3.096 -0.469) 3.231 4.001 ( -0.370 -0.344 -5.042) 5.068 4.077 ( 7.597 1.814 -4.565) 9.047 4.385 ( -6.019 0.027 4.645) 7.603 4.511 ( 1.323 -2.979 -6.820) 7.559 4.700 ( -10.399 -2.625 1.096) 10.781 4.845 ( 4.814 1.796 -1.940) 5.492 5.033 ( -2.147 -3.902 -6.219) 7.649 5.066 ( 9.418 -4.283 3.663) 10.976 5.245 ( -0.298 1.221 1.448) 1.917 5.281 ( 2.554 2.208 0.002) 3.376 5.584 ( -1.980 4.662 3.836) 6.353 5.639 ( -0.002 6.980 -2.998) 7.596 5.871 ( 0.710 -1.670 4.227) 4.600 5.894 ( -10.577 0.509 -1.748) 10.733 5.930 ( 3.152 -0.258 -1.165) 3.370 6.016 ( 4.543 -2.126 1.647) 5.280 6.189 ( -4.447 2.880 3.131) 6.154 6.275 ( 0.974 1.828 3.086) 3.717 6.384 ( 1.621 2.807 0.438) 3.271 6.416 ( 2.658 3.634 -3.637) 5.788 6.589 ( -3.393 0.405 -0.205) 3.423 6.650 ( 3.489 -1.745 1.167) 4.072 7.125 ( -2.287 -5.856 1.552) 6.476 7.216 ( 3.531 -5.835 -1.740) 7.039 7.461 ( -0.883 -6.403 0.220) 6.467 7.522 ( 2.792 -5.301 -2.536) 6.506 7.775 ( -5.506 0.272 -0.469) 5.532 7.812 ( -0.157 -2.030 1.477) 2.515 7.942 ( -1.526 -5.234 4.108) 6.826 8.061 ( 3.889 -1.267 -6.238) 7.459 8.870 ( -10.093 -4.274 14.951) 18.538 9.060 ( -0.715 -1.263 0.851) 1.682 9.300 ( 2.313 -1.368 2.076) 3.395 9.453 ( 10.997 -5.205 -13.539) 18.202 9.847 ( -2.837 0.931 4.118) 5.086 9.963 ( 4.743 -0.873 -4.928) 6.895 10.368 ( -19.628 0.072 -0.924) 19.650 10.510 ( -3.897 1.503 3.524) 5.465 10.544 ( -0.250 0.120 0.543) 0.610 10.716 ( 15.879 1.487 1.644) 16.033 10.846 ( -1.912 -2.789 1.480) 3.691 10.971 ( 5.941 -1.779 -8.210) 10.289 11.084 ( -10.676 9.853 -1.357) 14.591 11.274 ( 11.881 7.649 1.487) 14.208 11.672 ( -2.068 -9.000 11.220) 14.532 11.862 ( 3.633 -13.172 -10.527) 17.249 13.142 ( -0.803 5.047 3.301) 6.084 13.193 ( 0.905 5.490 -5.718) 7.979 13.380 ( -12.741 3.414 3.670) 13.692 13.636 ( 9.262 5.179 -4.293) 11.447 14.106 ( -3.598 6.473 -0.463) 7.420 14.186 ( 6.294 7.438 1.507) 9.859 14.396 ( 1.101 -3.854 8.252) 9.174 14.469 ( 0.842 -4.289 -6.045) 7.459 14.628 ( -6.678 1.489 2.196) 7.185 14.729 ( 2.890 1.826 -1.603) 3.776 15.227 ( -3.606 4.487 4.889) 7.552 15.308 ( 0.019 2.061 -4.449) 4.904 15.570 ( -1.306 2.754 3.563) 4.689 15.651 ( 3.034 2.409 -4.155) 5.681 15.873 ( -5.207 -3.298 1.810) 6.424 15.990 ( 5.779 0.486 -1.954) 6.120 24.726 ( -0.894 -0.556 0.869) 1.365 24.753 ( 1.059 0.494 -0.826) 1.431 24.854 ( -1.327 -0.985 0.215) 1.666 24.878 ( 1.203 -0.666 -0.151) 1.384 25.137 ( -3.095 -0.091 6.085) 6.827 25.257 ( 3.130 0.275 -5.858) 6.648 25.622 ( -1.097 -1.613 4.348) 4.766 25.671 ( -0.970 -2.859 -4.132) 5.118 25.861 ( 1.744 -0.056 5.915) 6.167 25.910 ( 0.279 1.334 -4.940) 5.124 26.913 ( -2.211 -6.123 4.560) 7.948 26.956 ( -1.694 -7.820 -1.749) 8.190 27.491 ( 0.443 -6.856 -3.791) 7.846 27.540 ( 7.889 -9.232 -1.054) 12.189 28.422 ( -6.153 12.432 10.600) 17.458 28.607 ( 1.288 17.736 -10.097) 20.449 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -4.774 2.893 1.647) 5.820 1.778 ( 4.634 5.204 -1.750) 7.185 1.989 ( -1.991 -1.175 8.133) 8.456 2.103 ( 3.685 -5.545 0.312) 6.665 2.183 ( 0.880 -5.886 -6.327) 8.687 2.321 ( 5.769 -0.410 -1.881) 6.082 2.625 ( -2.168 -2.156 2.125) 3.723 2.697 ( -1.598 -3.006 2.193) 4.050 2.845 ( -2.030 4.499 -5.200) 7.170 2.924 ( 1.960 0.986 2.259) 3.149 3.089 ( -4.072 -2.400 -8.115) 9.391 3.149 ( -3.804 -2.208 3.407) 5.563 3.213 ( -5.386 -2.459 6.817) 9.030 3.329 ( -7.419 3.620 1.627) 8.413 3.479 ( 4.547 0.896 -1.408) 4.844 3.654 ( 9.692 -2.157 -6.874) 12.076 3.760 ( -4.174 0.137 3.904) 5.717 3.819 ( 0.946 -0.872 3.148) 3.400 4.018 ( 3.010 -0.947 0.590) 3.210 4.106 ( 7.952 1.367 -1.896) 8.288 4.388 ( -2.919 -1.158 2.908) 4.280 4.544 ( 3.072 -1.499 -3.497) 4.890 4.690 ( -7.191 -3.761 0.844) 8.159 4.826 ( 0.882 -0.402 -2.341) 2.534 5.025 ( -0.236 0.594 -4.406) 4.452 5.142 ( 3.813 2.103 -0.394) 4.372 5.249 ( 1.721 1.835 -0.660) 2.601 5.259 ( 2.259 3.943 1.623) 4.825 5.507 ( -2.663 2.426 0.904) 3.714 5.586 ( 4.469 0.642 3.207) 5.538 5.746 ( -10.622 1.166 -3.529) 11.253 5.881 ( 0.710 3.238 0.652) 3.379 5.974 ( 2.113 -0.187 0.794) 2.265 6.066 ( -4.107 -1.828 0.008) 4.495 6.108 ( -1.928 3.849 -2.300) 4.881 6.247 ( -0.822 0.942 2.517) 2.811 6.348 ( 2.782 3.599 2.530) 5.205 6.392 ( 4.526 0.793 0.642) 4.640 6.612 ( 0.425 -2.506 2.249) 3.394 6.725 ( 3.748 -2.643 0.126) 4.588 7.212 ( -2.910 -4.695 0.524) 5.549 7.344 ( 1.629 -5.762 -0.018) 5.988 7.529 ( -3.277 0.681 1.213) 3.560 7.584 ( -3.410 -3.856 -6.020) 7.920 7.685 ( -0.496 2.338 -1.423) 2.781 7.802 ( -1.330 2.866 0.138) 3.162 8.001 ( -0.465 0.286 2.579) 2.636 8.064 ( 3.042 1.249 -2.761) 4.294 8.902 ( -8.955 -1.187 9.919) 13.415 9.068 ( -0.862 0.151 1.829) 2.027 9.341 ( 1.846 0.627 4.133) 4.570 9.582 ( 14.899 -2.549 -8.629) 17.405 9.815 ( -3.724 2.544 4.959) 6.703 10.003 ( 7.160 -0.961 -9.085) 11.607 10.149 ( -17.943 3.369 -1.466) 18.315 10.481 ( -4.345 -0.189 4.692) 6.398 10.585 ( -3.813 -3.731 1.682) 5.593 10.733 ( 2.436 4.304 -2.657) 5.615 10.854 ( -0.423 6.371 3.368) 7.219 10.919 ( 9.797 -2.204 4.424) 10.973 11.104 ( 4.934 -8.994 -9.583) 14.038 11.211 ( 7.760 7.810 -2.131) 11.214 11.879 ( -7.644 -11.704 8.256) 16.235 12.101 ( -0.414 -14.623 -5.461) 15.615 13.031 ( -2.447 9.214 0.946) 9.580 13.055 ( -0.994 3.928 -1.906) 4.478 13.279 ( -5.195 -0.379 -1.524) 5.427 13.633 ( 7.388 1.128 -1.426) 7.608 14.029 ( 0.273 0.478 -0.938) 1.087 14.142 ( 7.852 4.892 3.037) 9.737 14.432 ( -4.219 0.844 -1.073) 4.435 14.557 ( -1.446 -4.335 8.006) 9.218 14.671 ( 0.624 -7.789 -0.682) 7.844 14.714 ( 0.579 0.214 -1.329) 1.466 15.124 ( -5.029 4.804 4.114) 8.081 15.263 ( 2.483 1.772 -3.252) 4.459 15.538 ( -1.058 1.387 1.779) 2.492 15.599 ( 1.313 2.383 -4.898) 5.603 15.872 ( -3.624 -1.703 -2.613) 4.781 16.020 ( 3.590 1.151 1.604) 4.097 24.726 ( -0.262 0.199 0.033) 0.330 24.741 ( 0.658 1.139 -0.077) 1.318 24.865 ( -1.111 -1.409 -0.482) 1.858 24.900 ( 0.692 -0.394 0.511) 0.946 25.141 ( -3.441 -1.147 2.392) 4.345 25.287 ( 5.140 -1.324 -0.239) 5.313 25.617 ( -4.372 0.847 1.216) 4.616 25.664 ( -1.943 -0.263 -3.276) 3.818 25.883 ( 1.605 0.243 -3.678) 4.021 25.962 ( 6.302 -2.190 8.442) 10.760 26.956 ( -7.645 -1.736 2.156) 8.130 27.016 ( -4.998 -3.070 -2.089) 6.226 27.568 ( 0.606 -3.488 -5.581) 6.609 27.798 ( 9.866 -9.417 -4.367) 14.321 28.187 ( -4.201 11.344 3.240) 12.523 28.326 ( 2.789 10.606 1.684) 11.095 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 7.979 -0.000 -4.287) 9.058 0.878 ( -7.235 0.000 -9.287) 11.773 1.651 ( 14.519 -0.000 8.159) 16.654 1.749 ( 3.376 -0.000 4.389) 5.537 1.882 ( -5.779 0.000 -2.337) 6.234 1.940 ( -22.048 0.000 -8.920) 23.784 2.268 ( 4.279 -0.000 -1.561) 4.555 2.322 ( 1.106 -0.000 -3.312) 3.491 2.505 ( 5.514 -0.000 10.999) 12.304 2.764 ( -1.792 0.000 -12.734) 12.859 2.970 ( -4.655 0.000 2.293) 5.189 3.050 ( -2.332 0.000 -4.946) 5.469 3.138 ( -9.170 0.000 6.967) 11.516 3.239 ( 3.204 -0.000 10.920) 11.380 3.263 ( 11.895 -0.000 -2.244) 12.105 3.371 ( -4.955 0.000 -1.900) 5.307 3.762 ( -3.652 0.000 1.841) 4.090 3.910 ( 0.299 -0.000 -8.742) 8.747 3.938 ( 0.408 -0.000 3.993) 4.013 4.039 ( 5.287 -0.000 -4.357) 6.851 4.487 ( 2.596 -0.000 3.219) 4.135 4.566 ( -9.128 0.000 -0.919) 9.174 4.635 ( 1.567 -0.000 -3.098) 3.472 4.639 ( 8.194 -0.000 -1.156) 8.275 5.007 ( 3.749 -0.000 -2.141) 4.317 5.024 ( -6.681 0.000 -3.360) 7.478 5.376 ( -1.946 0.000 0.940) 2.161 5.410 ( 1.042 -0.000 -1.991) 2.247 5.589 ( 2.244 -0.000 9.703) 9.959 5.707 ( 1.103 -0.000 0.690) 1.300 5.880 ( 5.062 -0.000 2.438) 5.619 5.926 ( 3.480 -0.000 4.243) 5.488 6.001 ( -4.094 0.000 -0.550) 4.131 6.152 ( -5.122 0.000 -8.722) 10.115 6.213 ( -9.133 0.000 8.551) 12.511 6.384 ( -3.062 0.000 -1.056) 3.239 6.420 ( 3.598 -0.000 -3.870) 5.285 6.422 ( 8.241 -0.000 1.549) 8.385 6.604 ( 6.112 -0.000 8.537) 10.499 6.738 ( -5.398 0.000 -3.709) 6.550 6.988 ( 2.038 -0.000 2.338) 3.101 7.063 ( -1.094 0.000 -3.882) 4.033 7.286 ( 3.097 -0.000 1.221) 3.329 7.299 ( -6.052 0.000 -0.023) 6.052 7.550 ( -3.631 0.000 5.392) 6.501 7.636 ( 2.055 -0.000 -2.466) 3.210 7.704 ( -1.869 0.000 5.612) 5.915 7.877 ( 3.771 -0.000 -10.204) 10.878 8.670 ( -0.482 0.000 8.201) 8.215 8.904 ( -3.016 0.000 -10.995) 11.401 9.146 ( -2.801 0.000 1.666) 3.259 9.227 ( 1.859 -0.000 -3.857) 4.282 9.886 ( -0.961 0.000 3.645) 3.769 9.968 ( 3.787 -0.000 -2.762) 4.687 10.367 ( -5.078 0.000 8.180) 9.629 10.443 ( -0.726 0.000 2.844) 2.936 10.614 ( 3.393 -0.000 2.755) 4.370 10.628 ( 12.190 -0.000 -3.234) 12.612 10.708 ( -10.544 0.000 -1.452) 10.643 10.800 ( -4.263 0.000 -1.892) 4.664 11.063 ( -1.974 0.000 12.773) 12.925 11.450 ( 3.723 -0.000 -16.013) 16.440 11.784 ( 11.003 -0.000 -4.184) 11.772 11.797 ( -12.797 0.000 -3.099) 13.167 13.275 ( 11.200 -0.000 3.167) 11.639 13.319 ( -4.044 0.000 0.952) 4.154 13.664 ( -18.347 0.000 -1.335) 18.395 13.737 ( 13.574 -0.000 -6.349) 14.986 14.223 ( 2.506 -0.000 5.065) 5.651 14.336 ( -5.998 0.000 -5.048) 7.839 14.654 ( 2.893 -0.000 5.216) 5.965 14.694 ( -1.549 0.000 1.587) 2.218 14.883 ( 0.890 -0.000 -0.729) 1.151 14.904 ( -0.496 0.000 -2.707) 2.752 15.430 ( 6.501 -0.000 5.396) 8.448 15.480 ( -1.545 0.000 2.532) 2.966 15.520 ( 4.769 -0.000 -0.529) 4.798 15.532 ( -7.992 0.000 -3.863) 8.877 15.719 ( -5.686 0.000 10.721) 12.136 15.939 ( 7.873 -0.000 -8.213) 11.377 24.686 ( -1.786 0.000 1.100) 2.098 24.724 ( 1.838 -0.000 -2.121) 2.806 24.854 ( -0.796 0.000 0.925) 1.220 24.869 ( 0.262 -0.000 -0.471) 0.539 25.146 ( -1.999 0.000 7.660) 7.916 25.354 ( -1.189 0.000 -10.015) 10.085 25.445 ( -0.078 0.000 3.900) 3.901 25.539 ( -1.856 0.000 -5.298) 5.614 26.006 ( -3.034 0.000 1.928) 3.595 26.066 ( 2.980 -0.000 -3.638) 4.703 26.400 ( -5.911 0.000 6.723) 8.952 26.485 ( 7.010 -0.000 -0.997) 7.081 27.251 ( -1.855 0.000 2.181) 2.863 27.314 ( 2.231 -0.000 -3.818) 4.422 28.835 ( -7.910 0.000 24.267) 25.524 29.356 ( 12.369 -0.000 -22.524) 25.697 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -6.753 -24.160 -4.334) 25.458 1.094 ( 2.871 -22.395 1.323) 22.617 1.741 ( -21.705 -7.293 -13.732) 26.699 1.841 ( 7.729 -6.413 9.514) 13.834 1.882 ( -8.417 0.031 4.232) 9.421 2.013 ( 6.506 -15.156 6.471) 17.717 2.215 ( -2.060 1.186 -0.011) 2.377 2.293 ( 3.839 -0.965 -7.523) 8.500 2.647 ( -5.378 -6.029 2.056) 8.337 2.730 ( 1.516 -5.997 -2.434) 6.647 2.977 ( -2.834 -0.006 1.530) 3.221 3.061 ( 6.164 -1.171 0.343) 6.284 3.091 ( -1.677 1.316 5.879) 6.253 3.295 ( 9.575 4.561 -7.267) 12.857 3.326 ( -3.286 -2.771 4.447) 6.185 3.416 ( 5.604 -6.122 2.278) 8.607 3.772 ( -5.195 -2.542 5.795) 8.187 3.914 ( -1.734 -2.450 1.848) 3.524 3.960 ( 1.801 -2.369 -5.137) 5.937 4.049 ( 4.276 -0.401 -8.994) 9.967 4.492 ( -8.441 2.524 1.383) 8.918 4.524 ( -3.533 -1.132 4.064) 5.503 4.588 ( -0.437 1.878 -6.021) 6.322 4.724 ( 12.704 -2.893 -1.773) 13.150 4.962 ( -4.387 0.325 -2.147) 4.895 5.044 ( 6.479 0.501 1.776) 6.737 5.332 ( -2.479 2.611 1.104) 3.766 5.371 ( 0.521 2.974 -1.454) 3.351 5.660 ( -3.594 -1.828 3.082) 5.076 5.716 ( 0.656 -1.903 0.312) 2.037 5.898 ( -2.348 2.080 0.342) 3.156 5.933 ( 1.022 4.557 -1.246) 4.834 5.958 ( -0.055 0.561 -0.061) 0.567 6.025 ( -0.639 3.016 -1.714) 3.528 6.241 ( -4.447 -2.878 10.411) 11.682 6.333 ( -2.451 1.443 1.920) 3.431 6.425 ( 3.257 1.948 -2.260) 4.417 6.508 ( 8.537 -0.203 -5.474) 10.143 6.638 ( -4.364 2.873 -0.821) 5.289 6.691 ( 4.194 1.044 4.014) 5.898 6.995 ( -2.811 -0.813 1.127) 3.135 7.067 ( 2.663 -3.059 -3.594) 5.419 7.277 ( -3.021 -1.755 1.661) 3.869 7.374 ( 6.814 -2.836 -0.004) 7.381 7.604 ( -2.701 -5.448 4.034) 7.297 7.669 ( -0.468 -3.575 -2.107) 4.176 7.741 ( -3.748 -3.573 6.396) 8.229 7.898 ( 2.750 -5.467 -9.532) 11.327 8.730 ( -2.573 -1.598 12.998) 13.346 8.932 ( 3.812 -6.561 -6.596) 10.054 9.185 ( 0.591 -5.673 -1.177) 5.824 9.241 ( 0.960 -2.237 -3.701) 4.430 9.885 ( -1.297 0.910 2.862) 3.272 9.972 ( 3.464 0.801 -4.175) 5.484 10.326 ( -14.528 -0.853 5.580) 15.586 10.496 ( -2.659 -5.806 0.446) 6.402 10.581 ( -7.120 0.595 -2.913) 7.716 10.635 ( -5.848 -0.562 0.480) 5.895 10.742 ( 9.745 -1.544 6.433) 11.778 10.858 ( 13.007 -1.851 -6.508) 14.662 11.178 ( 0.213 -4.167 16.857) 17.366 11.400 ( 3.620 0.541 -14.236) 14.699 11.649 ( -7.352 2.436 -4.855) 9.141 11.825 ( 13.835 6.673 0.367) 15.365 13.257 ( -4.474 1.883 -1.486) 5.077 13.343 ( 5.394 2.951 -2.209) 6.533 13.491 ( -17.466 0.828 2.648) 17.685 13.793 ( 9.629 2.258 -3.122) 10.372 14.263 ( 0.337 0.562 3.361) 3.424 14.306 ( 2.844 -1.085 -0.201) 3.051 14.559 ( -4.190 11.647 0.166) 12.378 14.624 ( 5.191 9.292 2.888) 11.028 14.824 ( -0.634 6.252 0.048) 6.284 14.838 ( -0.488 3.469 -2.473) 4.288 15.348 ( -6.735 3.268 -0.251) 7.490 15.413 ( 1.071 5.538 -0.269) 5.646 15.563 ( -4.223 -5.735 -1.159) 7.216 15.637 ( 2.782 -2.778 1.868) 4.352 15.759 ( -2.648 -2.630 9.729) 10.420 15.979 ( 7.939 -1.582 -9.592) 12.551 24.687 ( -1.644 -0.967 1.542) 2.452 24.736 ( 1.710 -0.769 -2.061) 2.786 24.850 ( -0.678 0.356 1.165) 1.394 24.870 ( 0.660 -0.025 -0.533) 0.848 25.166 ( -2.021 1.281 9.391) 9.691 25.290 ( 0.956 0.852 -8.368) 8.466 25.501 ( 0.749 -3.349 4.523) 5.677 25.533 ( -1.148 -3.109 -3.840) 5.072 25.946 ( -1.847 3.826 4.225) 5.991 26.014 ( 0.342 4.316 -4.211) 6.039 26.531 ( -2.036 -13.075 3.234) 13.622 26.617 ( 4.458 -8.322 -1.885) 9.627 27.276 ( -0.937 -3.082 1.810) 3.695 27.339 ( 3.045 -2.595 -3.247) 5.152 28.809 ( -10.082 7.211 21.033) 24.413 29.210 ( 7.680 12.269 -23.153) 27.305 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -3.089 -18.923 4.447) 19.683 1.524 ( -9.156 -18.474 1.751) 20.693 1.663 ( -7.075 -11.280 -8.172) 15.623 1.835 ( -10.120 -6.840 8.159) 14.689 2.020 ( 6.133 2.114 2.283) 6.877 2.180 ( 0.744 -4.595 -3.467) 5.804 2.374 ( 3.311 -14.637 4.782) 15.750 2.445 ( 3.462 -9.499 -1.764) 10.263 2.693 ( -5.996 -7.566 -5.313) 11.020 2.882 ( 3.709 -3.586 4.854) 7.084 2.995 ( -3.027 -5.143 3.265) 6.802 3.061 ( -0.824 2.835 -2.431) 3.824 3.141 ( 4.014 -1.558 1.461) 4.547 3.290 ( 7.286 -1.682 -4.527) 8.741 3.380 ( 1.179 -3.346 -0.516) 3.585 3.603 ( 7.828 -4.226 2.212) 9.167 3.798 ( -6.005 -0.355 8.715) 10.589 3.930 ( 0.469 1.370 3.690) 3.964 3.976 ( 2.183 0.758 -6.246) 6.660 4.092 ( 6.523 -6.148 -6.931) 11.331 4.378 ( -7.597 1.396 5.112) 9.262 4.474 ( -4.325 5.157 -4.205) 7.936 4.524 ( -9.096 -3.982 -0.919) 9.972 4.890 ( 3.506 2.581 -2.713) 5.130 4.947 ( 5.028 -6.523 0.488) 8.250 5.109 ( 7.626 -0.563 1.650) 7.822 5.282 ( 0.250 1.900 1.001) 2.162 5.332 ( 1.123 1.192 0.365) 1.677 5.610 ( -5.297 0.301 -2.830) 6.013 5.754 ( -2.591 7.477 -1.013) 7.978 5.794 ( -5.911 -1.276 -2.988) 6.745 5.827 ( -2.867 -1.393 -2.346) 3.958 5.962 ( 3.228 1.829 -1.526) 4.012 6.040 ( 0.717 -0.839 3.991) 4.140 6.216 ( -2.646 3.041 -0.939) 4.140 6.354 ( 2.099 1.711 6.637) 7.168 6.441 ( 3.865 -0.089 3.624) 5.299 6.487 ( 2.983 4.613 -4.786) 7.286 6.550 ( -1.764 -0.330 -4.376) 4.729 6.723 ( 3.897 2.765 6.357) 7.953 7.036 ( -0.570 -4.008 2.182) 4.599 7.153 ( 4.898 -4.724 -3.095) 7.476 7.329 ( -1.821 -5.392 0.950) 5.770 7.470 ( 5.017 -2.721 -1.812) 5.988 7.684 ( -4.869 -3.843 -1.862) 6.476 7.716 ( -4.117 -5.608 1.092) 7.042 7.843 ( -2.358 -6.806 5.648) 9.153 7.997 ( 3.537 -5.783 -6.960) 9.716 8.808 ( -4.165 -2.953 10.967) 12.097 9.033 ( -0.930 -2.098 4.493) 5.045 9.291 ( 1.503 -3.122 1.499) 3.775 9.354 ( 13.281 -9.591 -11.713) 20.139 9.866 ( -2.024 1.150 3.115) 3.889 9.966 ( 3.464 -0.160 -6.179) 7.086 10.219 ( -17.066 0.616 4.668) 17.703 10.509 ( -2.997 0.341 -0.889) 3.145 10.569 ( 0.698 1.460 1.598) 2.274 10.628 ( -11.621 -9.666 -0.904) 15.142 10.876 ( 7.948 -1.291 2.942) 8.573 10.962 ( 11.138 -1.062 -4.658) 12.120 11.163 ( -8.386 7.658 -3.546) 11.897 11.467 ( 11.080 -1.959 14.440) 18.306 11.621 ( 1.154 -5.235 -12.247) 13.369 11.805 ( 14.316 7.889 5.151) 17.138 13.180 ( -5.386 2.370 1.050) 5.977 13.229 ( -7.263 1.915 -6.528) 9.951 13.376 ( -5.701 5.103 0.604) 7.675 13.782 ( 6.107 5.120 -1.331) 8.080 14.221 ( -1.552 8.386 -1.622) 8.681 14.333 ( -2.787 3.124 -0.051) 4.187 14.394 ( 6.464 -1.352 7.647) 10.103 14.526 ( 8.684 7.832 3.740) 12.278 14.657 ( -6.190 7.619 -0.867) 9.854 14.779 ( 0.756 2.583 -1.926) 3.309 15.248 ( -5.954 1.079 -2.491) 6.544 15.333 ( -2.895 3.538 2.243) 5.092 15.592 ( -2.154 -1.380 -1.456) 2.943 15.670 ( 0.234 0.194 -0.245) 0.391 15.817 ( -2.428 -0.604 4.631) 5.264 16.017 ( 6.615 -1.061 -7.274) 9.889 24.705 ( -1.365 -1.313 1.416) 2.365 24.753 ( 1.235 -0.632 -1.985) 2.421 24.843 ( -0.699 0.357 1.263) 1.487 24.878 ( 1.187 -0.393 -0.313) 1.289 25.151 ( -3.245 1.768 4.989) 6.209 25.278 ( 4.486 0.312 -1.467) 4.731 25.570 ( -1.122 -3.964 -3.010) 5.103 25.599 ( -0.176 -3.018 3.146) 4.363 25.919 ( -0.060 1.726 0.862) 1.931 25.934 ( 2.744 2.063 2.916) 4.504 26.754 ( -1.875 -10.457 -2.279) 10.866 26.794 ( 1.437 -9.191 -0.426) 9.312 27.370 ( 1.700 -6.308 -0.590) 6.560 27.438 ( 5.095 -6.946 -2.134) 8.874 28.643 ( -10.300 11.876 15.333) 21.959 28.853 ( -0.441 16.964 -17.965) 24.713 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -9.637 -1.051 -0.213) 9.696 1.783 ( -9.323 -9.291 10.181) 16.640 1.931 ( 1.422 -10.939 4.332) 11.851 1.988 ( 7.698 -5.289 -12.289) 15.435 2.042 ( 2.868 -9.785 6.723) 12.213 2.299 ( 0.167 -4.285 3.407) 5.477 2.560 ( -0.398 -3.901 -2.462) 4.631 2.604 ( -1.226 -7.230 2.030) 7.609 2.768 ( -3.060 -8.577 -5.986) 10.898 2.961 ( 1.321 1.000 1.437) 2.193 3.012 ( -1.204 -1.387 -5.007) 5.333 3.092 ( 1.624 -2.736 5.766) 6.586 3.173 ( 0.680 0.607 2.210) 2.391 3.330 ( -1.720 -0.327 -2.367) 2.944 3.468 ( 4.475 -3.340 -5.982) 8.184 3.678 ( 8.274 0.281 -2.916) 8.778 3.765 ( -5.266 1.944 6.217) 8.376 3.908 ( 2.680 5.098 0.445) 5.776 4.022 ( 3.459 -3.742 4.628) 6.884 4.211 ( 5.889 3.632 -0.185) 6.922 4.315 ( -4.259 -4.583 1.503) 6.434 4.455 ( -2.091 -6.155 1.290) 6.627 4.533 ( -11.336 -7.811 2.312) 13.960 4.812 ( 1.208 3.493 -6.878) 7.808 5.036 ( 2.979 0.158 0.212) 2.990 5.180 ( 1.855 0.075 -2.222) 2.896 5.283 ( 2.559 1.299 -0.336) 2.890 5.344 ( 2.748 0.891 0.982) 3.051 5.581 ( -0.989 5.703 1.303) 5.933 5.610 ( -0.467 -2.912 -0.126) 2.952 5.664 ( -7.211 2.892 -6.350) 10.034 5.894 ( 2.199 -1.864 -3.025) 4.178 5.948 ( -2.979 -1.866 0.179) 3.520 6.040 ( -3.656 0.678 1.695) 4.086 6.142 ( 0.357 3.253 -2.124) 3.901 6.318 ( -0.763 6.541 2.022) 6.889 6.437 ( 3.741 -0.567 6.285) 7.336 6.459 ( 5.049 4.023 -7.292) 9.739 6.594 ( 2.025 -3.187 2.987) 4.815 6.735 ( 1.067 0.857 4.212) 4.429 7.123 ( 0.666 -4.243 1.302) 4.488 7.274 ( 3.294 -4.652 1.668) 5.939 7.430 ( -1.781 -6.506 -3.457) 7.579 7.509 ( -1.143 -0.619 -1.755) 2.184 7.689 ( -0.192 -1.493 -0.310) 1.537 7.760 ( -5.349 -2.893 -1.363) 6.232 7.971 ( -0.787 -5.195 3.930) 6.561 8.062 ( 2.865 -2.196 -5.256) 6.376 8.868 ( -3.888 -1.516 8.692) 9.642 9.052 ( -3.461 -1.052 3.361) 4.938 9.368 ( 1.563 -1.930 3.310) 4.138 9.582 ( 17.148 -6.541 -10.314) 21.053 9.852 ( -2.489 0.745 5.168) 5.785 9.962 ( -0.645 -1.319 -9.681) 9.792 10.084 ( -9.733 2.752 4.385) 11.024 10.485 ( -2.628 0.445 3.749) 4.600 10.534 ( -3.911 1.316 2.921) 5.056 10.703 ( -6.184 -5.499 -3.382) 8.940 10.931 ( 0.053 -0.416 -0.870) 0.966 10.971 ( -1.409 2.379 -0.362) 2.789 11.040 ( 10.740 0.599 -3.270) 11.242 11.485 ( 8.170 12.498 -2.135) 15.083 11.730 ( 2.435 -7.359 1.864) 7.972 11.915 ( 7.140 -3.982 7.038) 10.788 13.059 ( -4.926 3.310 -4.543) 7.474 13.177 ( -0.640 4.087 0.532) 4.170 13.211 ( -7.193 1.325 -2.462) 7.717 13.716 ( 2.264 4.541 -0.808) 5.138 14.064 ( -1.099 4.386 -0.345) 4.535 14.306 ( 3.798 2.830 1.124) 4.868 14.474 ( -2.056 5.958 -0.968) 6.377 14.506 ( 0.541 -1.183 5.488) 5.640 14.581 ( 5.080 -3.486 5.561) 8.299 14.737 ( 0.514 1.511 -1.476) 2.174 15.166 ( -5.470 2.385 0.432) 5.983 15.267 ( -2.281 1.203 -0.675) 2.665 15.574 ( -0.729 1.298 0.480) 1.564 15.633 ( 1.025 2.768 -5.752) 6.465 15.807 ( -2.819 -0.705 0.374) 2.930 16.055 ( 3.292 -0.641 -1.724) 3.771 24.719 ( -0.878 -0.695 0.706) 1.324 24.756 ( 0.708 0.107 -1.487) 1.650 24.840 ( -0.670 -0.165 0.780) 1.042 24.899 ( 1.027 -0.664 0.154) 1.233 25.120 ( -2.720 0.598 2.001) 3.430 25.325 ( 5.540 -0.329 2.649) 6.149 25.595 ( -2.918 -0.155 -3.311) 4.416 25.613 ( -2.014 -1.318 0.267) 2.422 25.885 ( 0.501 0.498 -2.305) 2.411 26.035 ( 7.853 -1.568 9.764) 12.628 26.826 ( -5.414 -4.345 -5.673) 8.966 26.936 ( -0.119 -4.819 1.804) 5.147 27.485 ( 3.009 -4.872 -3.784) 6.863 27.658 ( 7.645 -11.786 -2.489) 14.267 28.379 ( -9.199 13.690 4.319) 17.050 28.513 ( -3.458 10.690 -3.338) 11.720 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -7.848 0.000 -2.441) 8.218 0.873 ( -1.753 0.000 1.689) 2.435 1.392 ( -26.535 0.000 -10.665) 28.598 1.746 ( 0.602 -0.000 -1.207) 1.348 1.917 ( 2.062 -0.000 10.605) 10.804 1.994 ( -1.725 0.000 13.392) 13.503 2.163 ( -14.184 0.000 2.101) 14.339 2.301 ( 7.871 -0.000 -5.704) 9.720 2.535 ( -5.722 0.000 -11.884) 13.190 2.620 ( -3.384 0.000 8.110) 8.788 3.046 ( -5.885 0.000 0.618) 5.918 3.052 ( 4.802 -0.000 6.271) 7.898 3.169 ( 14.489 -0.000 1.612) 14.578 3.333 ( 4.296 -0.000 -0.421) 4.316 3.376 ( 7.207 -0.000 0.752) 7.247 3.465 ( 10.425 -0.000 -2.386) 10.694 3.740 ( -3.920 0.000 6.755) 7.810 3.780 ( -5.821 0.000 -4.869) 7.589 3.977 ( 0.728 -0.000 0.524) 0.897 4.037 ( 2.997 -0.000 -6.263) 6.943 4.426 ( -6.140 0.000 -0.519) 6.161 4.542 ( -2.524 0.000 4.516) 5.173 4.571 ( -3.341 0.000 -5.944) 6.818 4.774 ( 8.867 -0.000 -3.830) 9.659 4.963 ( 3.036 -0.000 2.046) 3.661 5.114 ( 6.881 -0.000 3.014) 7.512 5.346 ( -3.530 0.000 2.691) 4.438 5.374 ( -3.055 0.000 -2.713) 4.086 5.626 ( -5.922 0.000 -8.816) 10.621 5.663 ( -0.458 0.000 4.492) 4.515 5.883 ( -4.639 0.000 -8.028) 9.272 5.937 ( -0.719 0.000 -3.893) 3.959 6.009 ( -2.747 0.000 2.762) 3.896 6.063 ( 0.862 -0.000 10.875) 10.909 6.201 ( -4.186 0.000 8.987) 9.914 6.329 ( -1.905 0.000 1.812) 2.629 6.485 ( 9.264 -0.000 -7.471) 11.901 6.576 ( 9.241 -0.000 -3.297) 9.811 6.590 ( -3.109 0.000 -5.802) 6.582 6.777 ( 4.249 -0.000 4.391) 6.110 6.970 ( -3.348 0.000 -4.518) 5.623 7.014 ( -1.100 0.000 5.605) 5.712 7.279 ( 1.683 -0.000 1.482) 2.243 7.433 ( 9.859 -0.000 1.856) 10.032 7.553 ( -2.286 0.000 4.374) 4.936 7.633 ( -0.031 0.000 -0.687) 0.688 7.701 ( -4.415 0.000 3.865) 5.867 7.793 ( -1.183 0.000 -8.892) 8.971 8.811 ( 3.995 -0.000 -8.180) 9.104 8.848 ( 7.603 -0.000 14.814) 16.651 9.120 ( -3.797 0.000 3.707) 5.307 9.215 ( 0.682 -0.000 -2.554) 2.644 9.894 ( -1.330 0.000 1.473) 1.985 9.973 ( 0.693 -0.000 -6.349) 6.387 10.248 ( -11.192 0.000 7.840) 13.665 10.340 ( -13.110 0.000 -1.646) 13.213 10.518 ( -4.275 0.000 -3.410) 5.469 10.625 ( 0.518 -0.000 -0.616) 0.805 10.815 ( 4.356 -0.000 9.229) 10.205 10.936 ( 11.713 -0.000 -3.006) 12.092 11.255 ( 1.887 -0.000 14.621) 14.743 11.361 ( 8.676 -0.000 -17.788) 19.791 11.625 ( 0.278 -0.000 2.349) 2.365 12.018 ( 15.038 -0.000 1.694) 15.133 13.197 ( -5.576 0.000 -8.988) 10.578 13.322 ( -23.551 0.000 7.570) 24.738 13.437 ( 7.208 -0.000 -3.845) 8.169 13.875 ( 5.983 -0.000 1.515) 6.172 14.261 ( 1.572 -0.000 -2.664) 3.094 14.371 ( 5.321 -0.000 7.544) 9.232 14.658 ( -1.404 0.000 -2.855) 3.181 14.765 ( 4.312 -0.000 -0.859) 4.397 14.844 ( -2.193 0.000 1.472) 2.641 14.883 ( -1.142 0.000 0.157) 1.153 15.290 ( -12.483 0.000 -2.341) 12.700 15.483 ( 0.825 -0.000 0.134) 0.836 15.509 ( 1.315 -0.000 -1.964) 2.364 15.614 ( -1.324 0.000 3.970) 4.185 15.757 ( 0.610 -0.000 6.725) 6.752 15.958 ( 6.505 -0.000 -13.148) 14.670 24.673 ( -1.633 0.000 1.835) 2.456 24.733 ( 1.616 -0.000 -1.865) 2.468 24.856 ( -0.213 0.000 1.113) 1.134 24.873 ( 0.706 -0.000 -0.317) 0.774 25.243 ( 0.925 -0.000 14.069) 14.099 25.254 ( 0.606 -0.000 -7.751) 7.775 25.482 ( -0.190 0.000 -2.746) 2.753 25.501 ( 0.882 -0.000 5.492) 5.563 25.967 ( -3.863 0.000 3.257) 5.053 26.081 ( 2.346 -0.000 -3.026) 3.829 26.356 ( -5.460 0.000 3.036) 6.247 26.575 ( 7.086 -0.000 -4.474) 8.380 27.252 ( -0.854 0.000 2.414) 2.561 27.325 ( 3.300 -0.000 -3.024) 4.476 28.888 ( -13.404 0.000 21.309) 25.174 29.252 ( 5.945 -0.000 -30.001) 30.584 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.035 -29.859 -1.522) 29.915 1.116 ( -8.478 -21.304 8.394) 24.417 1.257 ( -18.851 -13.062 -0.818) 22.949 1.792 ( -8.224 1.290 8.331) 11.777 1.955 ( -6.087 -9.908 6.972) 13.559 2.065 ( -10.792 -3.167 2.113) 11.443 2.191 ( 6.580 -10.378 -2.501) 12.540 2.384 ( 5.986 -2.849 1.426) 6.781 2.490 ( -1.931 -5.687 -4.128) 7.288 2.751 ( -3.313 -12.003 2.219) 12.648 2.948 ( -2.333 3.795 -0.575) 4.491 3.125 ( 1.456 1.620 3.135) 3.817 3.246 ( 11.375 3.058 -0.193) 11.780 3.329 ( 3.521 3.490 -0.892) 5.037 3.429 ( 10.425 1.853 -4.177) 11.382 3.587 ( 7.228 -6.156 5.713) 11.080 3.749 ( -4.553 -3.410 4.665) 7.357 3.876 ( -0.142 -10.732 -1.162) 10.796 3.963 ( 1.185 1.260 -0.562) 1.818 4.027 ( 4.418 1.475 -7.840) 9.119 4.364 ( -6.776 1.497 3.362) 7.711 4.448 ( -4.487 3.979 -4.349) 7.408 4.529 ( -4.922 2.410 1.525) 5.688 4.872 ( 4.248 -5.073 0.283) 6.622 5.002 ( 8.806 2.556 1.258) 9.256 5.177 ( 5.140 1.137 1.929) 5.607 5.312 ( -1.815 0.814 1.007) 2.229 5.332 ( -3.377 -0.299 0.074) 3.390 5.509 ( -6.782 -0.558 -10.486) 12.501 5.708 ( -2.745 -2.786 0.071) 3.912 5.768 ( -5.546 1.819 -6.034) 8.395 5.853 ( -4.647 4.758 -3.075) 7.328 5.998 ( -3.080 2.703 4.118) 5.810 6.069 ( 3.886 1.175 4.017) 5.711 6.232 ( -3.092 1.019 0.107) 3.257 6.395 ( 0.550 -5.962 5.824) 8.353 6.461 ( 4.694 3.253 -0.944) 5.789 6.542 ( 3.724 2.666 -7.078) 8.431 6.628 ( 7.987 3.599 -2.574) 9.130 6.781 ( -0.057 -0.387 0.951) 1.029 7.021 ( 3.395 -4.864 1.189) 6.050 7.047 ( -0.910 -2.123 2.548) 3.439 7.306 ( 2.076 -0.247 3.150) 3.780 7.502 ( 7.416 1.165 -0.875) 7.558 7.578 ( -3.646 -2.358 0.019) 4.342 7.613 ( -3.509 -1.533 -0.037) 3.829 7.725 ( -4.578 -5.705 4.214) 8.441 7.859 ( 2.933 -8.390 -5.706) 10.562 8.812 ( 3.478 -0.312 1.813) 3.935 9.035 ( -0.364 -0.474 10.087) 10.105 9.218 ( 9.017 -9.235 -0.880) 12.937 9.248 ( 3.486 -5.899 -0.882) 6.908 9.877 ( -2.275 0.854 0.816) 2.563 9.928 ( -2.876 -0.483 -6.535) 7.156 10.159 ( -11.217 1.916 4.734) 12.325 10.340 ( -8.207 -8.648 -0.138) 11.923 10.486 ( -2.004 -0.856 -1.221) 2.498 10.620 ( 1.267 1.549 1.609) 2.568 10.897 ( 0.937 -1.279 5.322) 5.553 11.025 ( 9.695 -0.756 -0.335) 9.731 11.210 ( -6.566 5.563 -0.000) 8.606 11.428 ( 7.181 -6.190 -10.827) 14.391 11.726 ( 17.006 2.357 13.474) 21.825 12.096 ( 15.340 5.961 1.931) 16.571 13.100 ( -9.600 -1.511 -8.204) 12.718 13.166 ( -14.855 2.194 7.909) 16.972 13.428 ( 2.085 3.145 -7.347) 8.259 13.900 ( 2.771 3.275 3.062) 5.270 14.278 ( 4.317 -0.449 -2.117) 4.829 14.398 ( -4.648 6.485 -0.358) 7.987 14.526 ( 2.908 5.318 6.440) 8.843 14.742 ( -5.231 5.967 -4.078) 8.922 14.801 ( 9.750 7.560 4.055) 12.986 14.810 ( -1.296 4.526 -0.128) 4.709 15.180 ( -7.900 -0.132 -3.726) 8.735 15.368 ( -5.029 5.359 -0.351) 7.358 15.539 ( 0.984 -1.245 -0.577) 1.688 15.661 ( -2.854 -2.524 4.512) 5.905 15.815 ( -0.339 -0.735 2.613) 2.736 15.973 ( 5.374 -3.881 -13.631) 15.157 24.678 ( -1.481 -0.989 1.705) 2.465 24.741 ( 1.190 -0.502 -1.802) 2.217 24.857 ( -0.073 0.489 1.320) 1.409 24.880 ( 1.026 -0.250 -0.273) 1.091 25.195 ( -0.543 2.965 -0.524) 3.059 25.335 ( 4.347 0.515 8.644) 9.689 25.492 ( 0.240 -2.280 -2.315) 3.258 25.567 ( 0.229 -2.479 4.973) 5.562 25.938 ( -2.374 2.702 -0.279) 3.608 26.040 ( 4.756 2.088 7.337) 8.989 26.500 ( -1.991 -14.451 -2.577) 14.813 26.666 ( 5.706 -6.035 -4.144) 9.282 27.292 ( 0.380 -3.728 2.193) 4.342 27.369 ( 4.073 -3.423 -2.845) 6.033 28.803 ( -14.691 7.479 17.762) 24.233 28.984 ( -3.864 12.097 -29.544) 32.158 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -12.054 -8.463 5.049) 15.570 1.515 ( 1.619 -25.923 8.045) 27.191 1.543 ( -9.213 -20.760 5.622) 23.398 1.891 ( -0.988 -13.833 14.337) 19.947 1.969 ( -4.634 0.559 -7.861) 9.142 2.175 ( -2.467 -10.327 3.344) 11.131 2.403 ( -5.950 -10.015 -2.910) 12.007 2.518 ( 6.280 -6.040 1.240) 8.801 2.591 ( 2.386 -5.211 -2.863) 6.406 2.902 ( -1.767 -2.291 -0.482) 2.933 2.956 ( -1.335 -9.504 -0.663) 9.620 3.093 ( 2.500 0.896 0.198) 2.663 3.283 ( 9.163 4.592 3.708) 10.899 3.313 ( 0.482 -0.177 -2.052) 2.115 3.466 ( 8.716 0.726 -4.598) 9.881 3.736 ( 2.835 -1.141 2.753) 4.113 3.779 ( -3.583 0.423 3.300) 4.890 3.976 ( 5.154 1.117 -6.080) 8.049 3.995 ( 2.660 -3.673 0.304) 4.545 4.111 ( -0.077 -12.804 1.895) 12.943 4.288 ( -7.397 4.820 -1.318) 8.926 4.344 ( -5.733 -2.004 0.903) 6.140 4.449 ( -0.796 2.627 6.631) 7.176 4.913 ( 2.444 5.255 1.231) 5.925 5.046 ( 3.040 -1.263 -0.232) 3.300 5.168 ( -0.219 0.471 -3.723) 3.759 5.315 ( 0.549 0.613 -0.425) 0.926 5.355 ( 1.417 -1.774 -0.569) 2.340 5.483 ( -2.713 -6.298 -3.752) 7.817 5.628 ( -2.137 1.577 -10.414) 10.747 5.694 ( -2.577 6.202 0.678) 6.750 5.775 ( -4.506 -5.564 -1.587) 7.334 5.964 ( -1.940 0.990 1.687) 2.755 6.032 ( -3.507 4.232 1.925) 5.824 6.190 ( 2.152 1.484 -4.212) 4.957 6.420 ( -2.631 3.040 -3.305) 5.205 6.503 ( 6.888 0.451 5.620) 8.902 6.536 ( 6.575 2.260 -8.447) 10.940 6.575 ( 2.390 1.977 3.705) 4.832 6.790 ( -1.544 1.453 3.174) 3.817 7.095 ( 1.509 -2.201 3.487) 4.391 7.181 ( 2.910 -8.244 0.070) 8.743 7.367 ( 2.257 -1.782 4.657) 5.474 7.491 ( 1.022 1.001 -3.566) 3.842 7.614 ( -2.886 -4.865 -0.429) 5.673 7.655 ( -1.517 -4.160 0.511) 4.457 7.859 ( -0.590 -8.257 3.217) 8.881 7.982 ( 2.433 -5.451 -5.478) 8.102 8.871 ( 2.350 -1.256 3.436) 4.348 9.029 ( -4.919 0.509 5.275) 7.231 9.326 ( -0.392 -4.787 2.676) 5.498 9.549 ( 16.914 -8.346 -6.324) 19.893 9.833 ( -6.317 0.275 -1.498) 6.498 9.895 ( 0.085 -0.821 -2.172) 2.324 10.072 ( -7.527 0.019 0.357) 7.535 10.448 ( -5.804 -6.951 4.578) 10.147 10.504 ( 1.527 -1.970 1.509) 2.914 10.614 ( 1.452 1.920 3.554) 4.293 10.914 ( -3.935 -0.506 0.751) 4.038 11.005 ( -1.303 6.099 -7.274) 9.582 11.127 ( 3.580 1.329 5.009) 6.299 11.505 ( 0.090 -3.189 -10.450) 10.926 11.889 ( 18.731 5.717 12.937) 23.472 12.123 ( 15.610 7.127 5.542) 18.033 13.002 ( -12.545 -1.422 2.367) 12.845 13.117 ( 0.868 -1.394 -7.221) 7.406 13.278 ( -4.881 7.404 -4.453) 9.923 13.823 ( -1.677 6.788 1.230) 7.099 14.161 ( -4.655 8.609 -0.939) 9.832 14.320 ( 3.641 -1.079 -2.120) 4.349 14.482 ( -10.023 6.994 0.203) 12.224 14.617 ( 3.826 0.339 9.096) 9.874 14.734 ( 1.635 4.296 1.680) 4.893 14.777 ( 9.506 6.138 0.068) 11.316 15.123 ( -3.673 -0.761 -3.769) 5.318 15.262 ( -6.728 1.699 1.907) 7.196 15.561 ( 0.955 -1.141 -1.822) 2.353 15.657 ( -2.063 2.393 -1.236) 3.393 15.795 ( -2.217 0.175 -0.062) 2.225 16.027 ( 2.879 -3.305 -6.172) 7.570 24.696 ( -1.252 -1.285 1.116) 2.113 24.747 ( 0.545 -0.385 -1.894) 2.008 24.852 ( -0.073 0.734 1.535) 1.703 24.897 ( 1.179 -0.578 -0.109) 1.318 25.141 ( -1.314 2.457 2.083) 3.479 25.394 ( 4.636 0.780 5.438) 7.188 25.531 ( 0.372 -2.618 -2.496) 3.637 25.595 ( -2.444 0.086 0.877) 2.598 25.874 ( -1.890 0.376 -2.432) 3.103 26.153 ( 8.992 0.877 11.569) 14.679 26.679 ( 1.752 -7.166 -4.825) 8.815 26.838 ( 5.429 -8.437 -1.379) 10.127 27.407 ( 2.902 -5.648 0.035) 6.350 27.505 ( 5.248 -9.397 -2.412) 11.030 28.522 ( -13.925 12.243 -9.261) 20.726 28.618 ( -12.285 9.753 2.743) 15.924 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.362 -0.000 2.788) 2.811 0.822 ( -8.840 0.000 10.643) 13.835 1.026 ( -14.355 0.000 19.324) 24.072 1.771 ( 1.180 -0.000 -2.948) 3.176 1.821 ( -28.111 0.000 22.427) 35.961 1.927 ( -6.368 0.000 -2.347) 6.787 2.106 ( 3.486 -0.000 -2.854) 4.505 2.349 ( -0.233 0.000 -8.964) 8.967 2.511 ( 8.289 -0.000 6.599) 10.595 2.594 ( -5.126 0.000 2.204) 5.580 2.966 ( -2.848 0.000 -1.259) 3.114 3.161 ( -2.358 0.000 7.827) 8.175 3.320 ( 5.857 -0.000 -8.723) 10.507 3.452 ( 2.710 -0.000 -4.914) 5.612 3.509 ( 6.810 -0.000 3.292) 7.564 3.552 ( 9.026 -0.000 -9.557) 13.146 3.727 ( 3.209 -0.000 8.344) 8.940 3.796 ( 2.197 -0.000 6.670) 7.022 3.978 ( 3.601 -0.000 -5.409) 6.498 4.060 ( 6.406 -0.000 -3.773) 7.434 4.353 ( -8.312 0.000 6.844) 10.767 4.440 ( -2.333 0.000 -5.269) 5.763 4.518 ( -3.899 0.000 4.162) 5.703 4.866 ( 4.667 -0.000 1.166) 4.811 5.097 ( 7.623 -0.000 -1.428) 7.755 5.238 ( -1.118 0.000 -2.871) 3.081 5.260 ( -1.266 0.000 1.967) 2.339 5.302 ( -3.800 0.000 -1.925) 4.260 5.404 ( -6.299 0.000 -7.255) 9.608 5.658 ( -4.915 0.000 1.627) 5.177 5.694 ( -4.520 0.000 -11.112) 11.996 5.812 ( -8.105 0.000 -0.501) 8.121 6.075 ( 0.839 -0.000 5.624) 5.686 6.157 ( 0.420 -0.000 4.063) 4.085 6.211 ( -2.579 0.000 3.700) 4.511 6.311 ( -0.952 0.000 -2.232) 2.427 6.565 ( 4.585 -0.000 -11.056) 11.969 6.599 ( 11.720 -0.000 5.047) 12.760 6.626 ( 1.376 -0.000 -4.889) 5.079 6.830 ( 2.798 -0.000 -1.215) 3.050 6.931 ( 2.242 -0.000 0.855) 2.400 7.115 ( 2.792 -0.000 7.769) 8.255 7.335 ( 2.003 -0.000 1.327) 2.403 7.542 ( 1.162 -0.000 -1.009) 1.539 7.563 ( -0.373 0.000 1.461) 1.508 7.578 ( -9.018 0.000 3.077) 9.528 7.689 ( -1.468 0.000 -3.901) 4.168 7.735 ( 8.308 -0.000 -0.622) 8.331 8.850 ( 6.489 -0.000 -2.973) 7.137 9.095 ( -3.355 0.000 3.584) 4.910 9.192 ( 1.321 -0.000 -2.022) 2.415 9.235 ( 15.273 -0.000 14.991) 21.400 9.852 ( -5.769 0.000 -3.750) 6.881 9.873 ( -1.288 0.000 0.238) 1.310 10.060 ( -12.435 0.000 -5.081) 13.433 10.261 ( -1.934 0.000 10.215) 10.397 10.470 ( 2.651 -0.000 -1.066) 2.858 10.647 ( 1.197 -0.000 0.097) 1.201 10.919 ( -0.476 0.000 4.547) 4.571 11.103 ( 7.762 -0.000 3.065) 8.345 11.209 ( -9.341 0.000 3.932) 10.135 11.386 ( 11.040 -0.000 -10.473) 15.217 12.006 ( 25.376 -0.000 13.399) 28.696 12.263 ( 12.288 -0.000 -1.884) 12.431 12.964 ( -12.353 0.000 -0.108) 12.354 13.110 ( -10.701 0.000 6.453) 12.496 13.421 ( 0.193 -0.000 -12.003) 12.005 13.969 ( -0.022 0.000 6.146) 6.146 14.310 ( 6.588 -0.000 -2.387) 7.007 14.406 ( -11.049 0.000 -0.988) 11.093 14.597 ( -0.872 0.000 -5.088) 5.162 14.704 ( -1.988 0.000 1.162) 2.303 14.841 ( -3.260 0.000 -0.829) 3.364 15.019 ( 12.347 -0.000 5.247) 13.415 15.099 ( -4.773 0.000 -3.924) 6.180 15.497 ( 0.693 -0.000 -3.188) 3.263 15.505 ( 2.805 -0.000 -1.786) 3.325 15.573 ( -7.407 0.000 5.256) 9.083 15.829 ( 0.414 -0.000 3.185) 3.212 15.848 ( -2.366 0.000 -16.248) 16.419 24.666 ( -1.474 0.000 1.679) 2.234 24.738 ( 0.941 -0.000 -1.627) 1.880 24.869 ( 0.277 -0.000 1.248) 1.278 24.885 ( 0.896 -0.000 -0.137) 0.906 25.215 ( 2.150 -0.000 -4.173) 4.695 25.444 ( 4.577 -0.000 9.245) 10.316 25.472 ( 1.288 -0.000 -1.160) 1.733 25.578 ( -0.883 0.000 5.240) 5.314 26.074 ( 11.066 -0.000 20.451) 23.253 26.077 ( 1.287 -0.000 -3.536) 3.763 26.280 ( -4.696 0.000 0.172) 4.699 26.648 ( 8.322 -0.000 -5.383) 9.911 27.270 ( -0.399 0.000 2.904) 2.931 27.357 ( 3.953 -0.000 -3.028) 4.980 28.827 ( -17.977 0.000 17.422) 25.034 28.847 ( -13.920 0.000 -38.807) 41.228 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.762 -27.736 3.165) 27.926 1.117 ( -6.486 -13.383 21.813) 26.401 1.215 ( -3.545 -20.106 17.230) 26.715 1.746 ( -14.341 -5.281 25.913) 30.084 1.821 ( -3.835 -5.898 -8.053) 10.694 1.959 ( -5.720 -10.388 -3.738) 12.434 2.176 ( -0.402 -6.507 -10.708) 12.536 2.393 ( 3.818 -9.592 0.466) 10.335 2.608 ( 3.899 -0.325 6.531) 7.613 2.700 ( -3.063 -13.183 0.315) 13.538 2.908 ( -1.813 2.776 1.075) 3.486 3.145 ( -3.835 2.714 1.987) 5.101 3.275 ( 1.055 -0.853 -7.974) 8.088 3.414 ( 3.548 1.471 -6.225) 7.314 3.556 ( 6.288 1.576 3.294) 7.271 3.650 ( 0.686 -5.123 -5.258) 7.373 3.815 ( 5.005 0.606 4.549) 6.790 3.898 ( 1.772 -4.202 0.268) 4.568 4.021 ( 7.403 -1.845 0.324) 7.636 4.067 ( 6.080 1.742 -1.224) 6.442 4.288 ( -7.246 1.659 1.155) 7.523 4.363 ( -2.038 5.783 3.503) 7.062 4.514 ( 0.148 0.282 4.893) 4.903 4.938 ( 2.068 -2.723 1.371) 3.684 5.093 ( 2.109 2.271 -5.404) 6.230 5.175 ( -3.089 2.515 -2.108) 4.506 5.274 ( -2.390 -3.860 -9.961) 10.946 5.315 ( -3.019 0.580 2.590) 4.020 5.350 ( 2.951 -5.404 0.985) 6.235 5.585 ( -2.275 2.288 -11.212) 11.667 5.637 ( -8.736 -2.950 1.027) 9.278 5.730 ( -7.252 1.625 -1.151) 7.520 6.020 ( -1.086 5.945 6.541) 8.906 6.133 ( 1.307 5.543 0.491) 5.716 6.186 ( 0.396 -0.518 -2.625) 2.705 6.363 ( -1.929 -3.298 -1.829) 4.236 6.527 ( 2.718 -0.005 -10.534) 10.879 6.595 ( 2.994 0.498 -0.676) 3.110 6.738 ( 5.657 4.806 2.493) 7.830 6.811 ( 5.052 1.502 2.023) 5.645 7.010 ( 1.239 -4.990 0.318) 5.151 7.184 ( 3.136 -0.587 7.441) 8.096 7.366 ( 1.024 -1.844 2.432) 3.219 7.497 ( -2.787 -1.106 -2.086) 3.653 7.552 ( -3.484 1.470 1.744) 4.164 7.585 ( 1.785 -3.028 -0.566) 3.560 7.725 ( 1.803 -7.226 1.646) 7.628 7.881 ( 4.362 -5.687 -3.284) 7.883 8.896 ( 5.151 -0.374 -0.149) 5.167 9.048 ( -3.161 2.716 3.748) 5.605 9.237 ( -1.105 -4.926 0.451) 5.069 9.488 ( 5.672 -7.428 -1.887) 9.535 9.784 ( -4.545 0.883 -1.885) 4.999 9.914 ( 10.312 -1.122 1.900) 10.545 9.968 ( -6.527 -1.401 -4.148) 7.859 10.329 ( -5.925 -4.605 9.902) 12.424 10.528 ( 7.636 -1.140 0.850) 7.767 10.667 ( 1.981 -1.184 2.687) 3.542 10.904 ( -2.245 2.620 1.850) 3.915 11.067 ( -2.648 5.107 -4.128) 7.080 11.212 ( 2.000 1.992 9.905) 10.299 11.445 ( 6.247 -1.236 -6.420) 9.043 12.226 ( 21.220 5.420 8.667) 23.554 12.356 ( 17.550 0.840 -1.904) 17.673 12.878 ( -15.328 -0.445 8.873) 17.717 13.087 ( 1.647 -0.566 -1.651) 2.400 13.295 ( -6.499 3.592 -11.936) 14.057 13.925 ( -6.754 6.019 4.322) 10.026 14.214 ( -8.948 4.971 -3.965) 10.977 14.367 ( 7.289 0.412 -2.231) 7.634 14.523 ( -6.358 5.647 -4.396) 9.572 14.687 ( -2.772 0.746 4.598) 5.421 14.754 ( -1.379 3.371 -1.906) 4.111 14.997 ( -3.254 5.042 -1.515) 6.189 15.111 ( 11.771 3.067 4.040) 12.817 15.300 ( -1.909 8.327 -0.060) 8.543 15.542 ( 0.159 -1.773 -0.534) 1.859 15.647 ( -4.977 -1.254 2.663) 5.783 15.745 ( -3.999 -1.998 -5.371) 6.988 15.916 ( 0.739 -6.735 -5.681) 8.842 24.670 ( -1.333 -0.907 1.375) 2.119 24.737 ( 0.467 -0.174 -1.828) 1.894 24.873 ( 0.187 0.553 1.477) 1.588 24.897 ( 1.024 -0.461 -0.093) 1.127 25.198 ( 1.778 2.462 -0.109) 3.039 25.460 ( -0.042 1.429 1.665) 2.194 25.522 ( 4.448 -0.788 2.633) 5.229 25.574 ( -3.393 -0.604 1.211) 3.653 25.892 ( -1.792 7.146 -0.437) 7.380 26.291 ( -1.143 0.931 3.354) 3.664 26.586 ( 27.256 -13.222 11.262) 32.319 26.750 ( 9.617 -6.052 -3.146) 11.790 27.332 ( 1.141 -5.302 3.062) 6.228 27.409 ( 4.188 -4.048 -3.226) 6.658 28.415 ( -25.547 5.172 -27.850) 38.145 28.685 ( -19.530 6.699 12.708) 24.245 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 8.286 -0.000 11.882) 14.485 0.881 ( -3.833 0.000 22.372) 22.698 1.182 ( -8.772 0.000 27.736) 29.090 1.692 ( -1.058 0.000 -10.343) 10.397 1.743 ( -10.372 0.000 36.994) 38.421 1.764 ( -3.251 0.000 -12.581) 12.994 2.042 ( -0.309 0.000 -12.597) 12.601 2.349 ( 6.056 -0.000 -1.767) 6.309 2.528 ( -5.285 0.000 3.312) 6.237 2.672 ( 0.575 -0.000 9.211) 9.229 2.924 ( -3.363 0.000 3.541) 4.884 3.121 ( -9.856 0.000 4.579) 10.867 3.225 ( 2.375 -0.000 -16.691) 16.859 3.349 ( -3.624 0.000 -10.743) 11.338 3.628 ( 0.148 -0.000 9.369) 9.371 3.641 ( 12.865 -0.000 -9.403) 15.935 3.866 ( -0.542 0.000 0.188) 0.574 3.904 ( 3.336 -0.000 3.261) 4.665 4.094 ( 10.487 -0.000 6.055) 12.109 4.146 ( 6.891 -0.000 -4.233) 8.087 4.231 ( -5.542 0.000 1.285) 5.689 4.470 ( 2.003 -0.000 7.163) 7.438 4.518 ( -1.370 0.000 3.594) 3.846 4.947 ( 2.972 -0.000 1.342) 3.261 5.086 ( -4.405 0.000 -5.328) 6.913 5.098 ( -1.636 0.000 -11.328) 11.445 5.160 ( -0.944 0.000 -7.295) 7.356 5.338 ( 2.499 -0.000 1.806) 3.083 5.341 ( -4.341 0.000 5.731) 7.189 5.512 ( -5.787 0.000 -6.787) 8.919 5.559 ( -4.174 0.000 -3.017) 5.150 5.672 ( -8.091 0.000 0.772) 8.128 6.120 ( -1.580 0.000 5.313) 5.543 6.167 ( 1.384 -0.000 -2.638) 2.979 6.209 ( -0.629 0.000 0.928) 1.121 6.322 ( 3.443 -0.000 -1.030) 3.594 6.487 ( 2.125 -0.000 -10.549) 10.761 6.546 ( -5.327 0.000 -2.674) 5.961 6.863 ( 7.186 -0.000 2.617) 7.648 6.879 ( 3.723 -0.000 -0.607) 3.772 7.054 ( 10.137 -0.000 4.158) 10.957 7.217 ( 0.299 -0.000 5.315) 5.323 7.364 ( 0.981 -0.000 1.139) 1.504 7.451 ( -4.406 0.000 -1.966) 4.825 7.520 ( -3.134 0.000 1.259) 3.378 7.527 ( -4.969 0.000 0.806) 5.034 7.725 ( 6.238 -0.000 0.132) 6.239 7.853 ( 5.506 -0.000 -2.230) 5.941 8.940 ( 4.789 -0.000 1.030) 4.899 9.093 ( 0.185 -0.000 2.078) 2.086 9.160 ( -0.953 0.000 -2.760) 2.920 9.381 ( -9.057 0.000 -3.355) 9.659 9.758 ( -2.525 0.000 -0.277) 2.540 9.895 ( -3.354 0.000 -3.323) 4.721 10.076 ( 23.973 -0.000 1.479) 24.018 10.279 ( -8.074 0.000 9.801) 12.699 10.592 ( 7.171 -0.000 1.850) 7.406 10.656 ( 0.337 -0.000 -0.533) 0.631 10.946 ( 1.363 -0.000 2.444) 2.799 11.080 ( -1.197 0.000 -2.278) 2.573 11.335 ( 4.577 -0.000 11.685) 12.549 11.476 ( 7.244 -0.000 -3.395) 8.000 12.370 ( 9.579 -0.000 -9.101) 13.213 12.579 ( 29.708 -0.000 2.347) 29.801 12.825 ( -16.391 0.000 16.446) 23.219 13.125 ( 7.680 -0.000 3.355) 8.381 13.148 ( -16.329 0.000 -16.821) 23.443 13.896 ( -19.611 0.000 1.107) 19.642 14.183 ( -2.026 0.000 -0.653) 2.129 14.416 ( 9.037 -0.000 -2.952) 9.507 14.520 ( -1.431 0.000 -6.475) 6.632 14.651 ( -8.866 0.000 2.245) 9.146 14.778 ( -1.737 0.000 -1.698) 2.430 14.946 ( -5.666 0.000 -8.108) 9.891 15.364 ( 17.479 -0.000 3.175) 17.765 15.481 ( -7.487 0.000 4.199) 8.584 15.490 ( 3.203 -0.000 -0.954) 3.342 15.552 ( 3.866 -0.000 -2.642) 4.682 15.598 ( -11.194 0.000 -2.054) 11.381 15.824 ( -4.320 0.000 2.065) 4.788 24.659 ( -1.155 0.000 1.572) 1.951 24.729 ( 0.305 -0.000 -2.007) 2.030 24.888 ( 0.196 -0.000 1.282) 1.297 24.898 ( 0.747 -0.000 0.008) 0.747 25.241 ( 4.142 -0.000 -1.003) 4.261 25.500 ( 2.335 -0.000 0.440) 2.376 25.509 ( -6.684 0.000 -1.857) 6.937 25.547 ( 0.971 -0.000 2.813) 2.976 26.055 ( 0.785 -0.000 -3.698) 3.781 26.154 ( -4.549 0.000 -4.037) 6.081 26.769 ( 11.761 -0.000 -2.868) 12.105 26.920 ( 46.519 -0.000 21.526) 51.258 27.295 ( -0.636 0.000 3.358) 3.417 27.387 ( 3.400 -0.000 -3.669) 5.002 28.040 ( -34.878 0.000 -19.022) 39.728 28.626 ( -23.827 0.000 11.052) 26.265 =================== 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 3/30720 10.0 240.578 159.746 270.310 -0.000 30.340 -0.000 3/30720 20.0 52.076 51.988 61.399 -0.000 6.070 -0.000 3/30720 30.0 25.297 27.998 29.876 -0.000 2.993 -0.000 3/30720 40.0 15.657 18.249 18.651 -0.000 1.833 -0.000 3/30720 50.0 10.956 13.146 13.151 -0.000 1.262 -0.000 3/30720 60.0 8.280 10.104 9.994 -0.000 0.937 -0.000 3/30720 70.0 6.599 8.131 7.994 -0.000 0.734 -0.000 3/30720 80.0 5.467 6.771 6.636 -0.000 0.597 -0.000 3/30720 90.0 4.663 5.787 5.663 -0.000 0.500 -0.000 3/30720 100.0 4.067 5.048 4.936 -0.000 0.428 -0.000 3/30720 110.0 3.611 4.475 4.376 -0.000 0.372 -0.000 3/30720 120.0 3.251 4.019 3.931 -0.000 0.328 -0.000 3/30720 130.0 2.960 3.649 3.570 -0.000 0.293 -0.000 3/30720 140.0 2.721 3.343 3.272 -0.000 0.264 -0.000 3/30720 150.0 2.521 3.087 3.022 -0.000 0.241 -0.000 3/30720 160.0 2.351 2.868 2.809 -0.000 0.221 -0.000 3/30720 170.0 2.205 2.680 2.625 -0.000 0.203 -0.000 3/30720 180.0 2.078 2.516 2.466 -0.000 0.189 -0.000 3/30720 190.0 1.967 2.372 2.326 -0.000 0.176 -0.000 3/30720 200.0 1.869 2.246 2.202 -0.000 0.165 -0.000 3/30720 210.0 1.781 2.132 2.092 -0.000 0.155 -0.000 3/30720 220.0 1.703 2.031 1.993 -0.000 0.147 -0.000 3/30720 230.0 1.633 1.940 1.904 -0.000 0.139 -0.000 3/30720 240.0 1.569 1.857 1.823 -0.000 0.132 -0.000 3/30720 250.0 1.510 1.782 1.749 -0.000 0.126 -0.000 3/30720 260.0 1.457 1.713 1.682 -0.000 0.120 -0.000 3/30720 270.0 1.408 1.650 1.620 -0.000 0.115 -0.000 3/30720 280.0 1.363 1.591 1.563 -0.000 0.111 -0.000 3/30720 290.0 1.321 1.537 1.510 -0.000 0.106 -0.000 3/30720 300.0 1.282 1.487 1.461 -0.000 0.102 -0.000 3/30720 310.0 1.245 1.441 1.415 -0.000 0.099 -0.000 3/30720 320.0 1.211 1.397 1.372 -0.000 0.095 -0.000 3/30720 330.0 1.179 1.356 1.332 -0.000 0.092 -0.000 3/30720 340.0 1.149 1.318 1.294 -0.000 0.089 -0.000 3/30720 350.0 1.121 1.282 1.259 -0.000 0.087 -0.000 3/30720 360.0 1.094 1.248 1.226 -0.000 0.084 -0.000 3/30720 370.0 1.068 1.216 1.194 -0.000 0.082 -0.000 3/30720 380.0 1.044 1.186 1.164 -0.000 0.080 -0.000 3/30720 390.0 1.021 1.157 1.136 -0.000 0.078 -0.000 3/30720 400.0 0.999 1.130 1.109 -0.000 0.076 -0.000 3/30720 410.0 0.978 1.104 1.084 -0.000 0.074 -0.000 3/30720 420.0 0.958 1.079 1.059 -0.000 0.072 -0.000 3/30720 430.0 0.939 1.055 1.036 -0.000 0.070 -0.000 3/30720 440.0 0.921 1.033 1.014 -0.000 0.069 -0.000 3/30720 450.0 0.903 1.011 0.992 -0.000 0.067 -0.000 3/30720 460.0 0.886 0.990 0.972 -0.000 0.066 -0.000 3/30720 470.0 0.870 0.971 0.953 -0.000 0.064 -0.000 3/30720 480.0 0.854 0.951 0.934 -0.000 0.063 -0.000 3/30720 490.0 0.839 0.933 0.916 -0.000 0.062 -0.000 3/30720 500.0 0.824 0.916 0.899 -0.000 0.060 -0.000 3/30720 510.0 0.810 0.899 0.882 -0.000 0.059 -0.000 3/30720 520.0 0.797 0.882 0.866 -0.000 0.058 -0.000 3/30720 530.0 0.784 0.867 0.851 -0.000 0.057 -0.000 3/30720 540.0 0.771 0.852 0.836 -0.000 0.056 -0.000 3/30720 550.0 0.759 0.837 0.821 -0.000 0.055 -0.000 3/30720 560.0 0.747 0.823 0.807 -0.000 0.054 -0.000 3/30720 570.0 0.735 0.809 0.794 -0.000 0.053 -0.000 3/30720 580.0 0.724 0.796 0.781 -0.000 0.052 -0.000 3/30720 590.0 0.713 0.783 0.769 -0.000 0.051 -0.000 3/30720 600.0 0.703 0.771 0.756 -0.000 0.050 -0.000 3/30720 610.0 0.692 0.759 0.745 -0.000 0.050 -0.000 3/30720 620.0 0.682 0.748 0.733 -0.000 0.049 -0.000 3/30720 630.0 0.673 0.736 0.722 -0.000 0.048 -0.000 3/30720 640.0 0.663 0.725 0.711 -0.000 0.047 -0.000 3/30720 650.0 0.654 0.715 0.701 -0.000 0.047 -0.000 3/30720 660.0 0.645 0.704 0.691 -0.000 0.046 -0.000 3/30720 670.0 0.637 0.694 0.681 -0.000 0.045 -0.000 3/30720 680.0 0.628 0.685 0.672 -0.000 0.045 -0.000 3/30720 690.0 0.620 0.675 0.662 -0.000 0.044 -0.000 3/30720 700.0 0.612 0.666 0.653 -0.000 0.043 -0.000 3/30720 710.0 0.604 0.657 0.644 -0.000 0.043 -0.000 3/30720 720.0 0.596 0.648 0.636 -0.000 0.042 -0.000 3/30720 730.0 0.589 0.640 0.628 -0.000 0.042 -0.000 3/30720 740.0 0.582 0.632 0.619 -0.000 0.041 -0.000 3/30720 750.0 0.575 0.624 0.612 -0.000 0.040 -0.000 3/30720 760.0 0.568 0.616 0.604 -0.000 0.040 -0.000 3/30720 770.0 0.561 0.608 0.596 -0.000 0.039 -0.000 3/30720 780.0 0.554 0.601 0.589 -0.000 0.039 -0.000 3/30720 790.0 0.548 0.593 0.582 -0.000 0.038 -0.000 3/30720 800.0 0.542 0.586 0.575 -0.000 0.038 -0.000 3/30720 810.0 0.535 0.579 0.568 -0.000 0.038 -0.000 3/30720 820.0 0.529 0.573 0.561 -0.000 0.037 -0.000 3/30720 830.0 0.524 0.566 0.555 -0.000 0.037 -0.000 3/30720 840.0 0.518 0.559 0.548 -0.000 0.036 -0.000 3/30720 850.0 0.512 0.553 0.542 -0.000 0.036 -0.000 3/30720 860.0 0.507 0.547 0.536 -0.000 0.035 -0.000 3/30720 870.0 0.501 0.541 0.530 -0.000 0.035 -0.000 3/30720 880.0 0.496 0.535 0.524 -0.000 0.035 -0.000 3/30720 890.0 0.491 0.529 0.519 -0.000 0.034 -0.000 3/30720 900.0 0.486 0.523 0.513 -0.000 0.034 -0.000 3/30720 910.0 0.481 0.518 0.508 -0.000 0.034 -0.000 3/30720 920.0 0.476 0.512 0.502 -0.000 0.033 -0.000 3/30720 930.0 0.471 0.507 0.497 -0.000 0.033 -0.000 3/30720 940.0 0.466 0.502 0.492 -0.000 0.032 -0.000 3/30720 950.0 0.462 0.497 0.487 -0.000 0.032 -0.000 3/30720 960.0 0.457 0.492 0.482 -0.000 0.032 -0.000 3/30720 970.0 0.453 0.487 0.477 -0.000 0.031 -0.000 3/30720 980.0 0.448 0.482 0.473 -0.000 0.031 -0.000 3/30720 990.0 0.444 0.477 0.468 -0.000 0.031 -0.000 3/30720 1000.0 0.440 0.473 0.463 -0.000 0.031 -0.000 3/30720 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:08:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|