----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:18:19]------------------------- 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: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.184654351147544 0.000000000000000 0.000000000000000 b 0.000000000000000 7.352757089999999 0.000000000000000 c -0.001519687906969 0.000000000000000 9.536644261044474 Atomic positions (fractional): *1 Ca 0.59127011020825 0.50000000000000 0.67959693593992 40.078 2 Ca 0.40872988979175 0.50000000000000 0.32040306406008 40.078 *3 Ca 0.40881898379629 0.00000000000000 0.17958130666898 40.078 4 Ca 0.59118101620371 0.00000000000000 0.82041869333102 40.078 *5 C 0.50000000000000 0.10565950230095 0.50000000000000 12.011 *6 C 0.50000000000000 0.60565815428904 0.00000000000000 12.011 *7 C 0.06632092561472 0.50000000000000 0.56934965169422 12.011 8 C 0.50000000000000 0.89434049769905 0.50000000000000 12.011 9 C 0.50000000000000 0.39434184571096 0.00000000000000 12.011 *10 C 0.93372251908735 0.00000000000000 0.06935233857633 12.011 11 C 0.93367907438528 0.50000000000000 0.43065034830578 12.011 12 C 0.06627748091265 0.00000000000000 0.93064766142367 12.011 *13 O 0.44970053353095 0.81767178084394 0.38604066786661 15.999 14 O 0.55029946646905 0.81767178084394 0.61395933213339 15.999 15 O 0.55029946646905 0.18232821915606 0.61395933213339 15.999 *16 O 0.44968008430761 0.31767323592879 0.11394557915532 15.999 *17 O 0.27063411212674 0.50000000000000 0.55404402501780 15.999 18 O 0.44968008430761 0.68232676407121 0.11394557915532 15.999 *19 O 0.96550570547300 0.50000000000000 0.68321722586328 15.999 *20 O 0.96539465347548 0.00000000000000 0.81678565827238 15.999 21 O 0.55031991569239 0.68232676407121 0.88605442084468 15.999 22 O 0.55031991569239 0.31767323592879 0.88605442084468 15.999 23 O 0.03460534652452 0.00000000000000 0.18321434172762 15.999 24 O 0.03449429452700 0.50000000000000 0.31678277413672 15.999 25 O 0.72936588787326 0.50000000000000 0.44595597498220 15.999 *26 O 0.27060005023543 0.00000000000000 0.94594354680575 15.999 27 O 0.72939994976457 0.00000000000000 0.05405645319425 15.999 28 O 0.44970053353095 0.18232821915606 0.38604066786661 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.184654351147544 0.000000000000000 0.000000000000000 b 0.000000000000000 7.352757089999999 0.000000000000000 c -0.001519687906969 0.000000000000000 9.536644261044474 Atomic positions (fractional): *1 Ca 0.59127011020825 0.50000000000000 0.67959693593992 40.078 > 1 2 Ca 0.40872988979175 0.50000000000000 0.32040306406008 40.078 > 2 *3 Ca 0.40881898379629 0.00000000000000 0.17958130666898 40.078 > 3 4 Ca 0.59118101620371 0.00000000000000 0.82041869333102 40.078 > 4 *5 C 0.50000000000000 0.10565950230095 0.50000000000000 12.011 > 5 *6 C 0.50000000000000 0.60565815428904 0.00000000000000 12.011 > 6 *7 C 0.06632092561472 0.50000000000000 0.56934965169422 12.011 > 7 8 C 0.50000000000000 0.89434049769905 0.50000000000000 12.011 > 8 9 C 0.50000000000000 0.39434184571096 0.00000000000000 12.011 > 9 *10 C 0.93372251908735 0.00000000000000 0.06935233857633 12.011 > 10 11 C 0.93367907438528 0.50000000000000 0.43065034830578 12.011 > 11 12 C 0.06627748091265 0.00000000000000 0.93064766142367 12.011 > 12 *13 O 0.44970053353095 0.81767178084394 0.38604066786661 15.999 > 13 14 O 0.55029946646905 0.81767178084394 0.61395933213339 15.999 > 14 15 O 0.55029946646905 0.18232821915606 0.61395933213339 15.999 > 15 *16 O 0.44968008430761 0.31767323592879 0.11394557915532 15.999 > 16 *17 O 0.27063411212674 0.50000000000000 0.55404402501780 15.999 > 17 18 O 0.44968008430761 0.68232676407121 0.11394557915532 15.999 > 18 *19 O 0.96550570547300 0.50000000000000 0.68321722586328 15.999 > 19 *20 O 0.96539465347548 0.00000000000000 0.81678565827238 15.999 > 20 21 O 0.55031991569239 0.68232676407121 0.88605442084468 15.999 > 21 22 O 0.55031991569239 0.31767323592879 0.88605442084468 15.999 > 22 23 O 0.03460534652452 0.00000000000000 0.18321434172762 15.999 > 23 24 O 0.03449429452700 0.50000000000000 0.31678277413672 15.999 > 24 25 O 0.72936588787326 0.50000000000000 0.44595597498220 15.999 > 25 *26 O 0.27060005023543 0.00000000000000 0.94594354680575 15.999 > 26 27 O 0.72939994976457 0.00000000000000 0.05405645319425 15.999 > 27 28 O 0.44970053353095 0.18232821915606 0.38604066786661 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.369308702295088 0.000000000000000 0.000000000000000 b 0.000000000000000 14.705514179999998 0.000000000000000 c -0.001519687906969 0.000000000000000 9.536644261044474 Atomic positions (fractional): *1 Ca 0.29563505510412 0.25000000000000 0.67959693593992 40.078 > 1 2 Ca 0.79563505510412 0.25000000000000 0.67959693593992 40.078 > 1 3 Ca 0.29563505510412 0.75000000000000 0.67959693593992 40.078 > 1 4 Ca 0.79563505510412 0.75000000000000 0.67959693593992 40.078 > 1 5 Ca 0.20436494489588 0.25000000000000 0.32040306406008 40.078 > 2 6 Ca 0.70436494489588 0.25000000000000 0.32040306406008 40.078 > 2 7 Ca 0.20436494489588 0.75000000000000 0.32040306406008 40.078 > 2 8 Ca 0.70436494489588 0.75000000000000 0.32040306406008 40.078 > 2 *9 Ca 0.20440949189814 0.00000000000000 0.17958130666898 40.078 > 3 10 Ca 0.70440949189814 0.00000000000000 0.17958130666898 40.078 > 3 11 Ca 0.20440949189814 0.50000000000000 0.17958130666898 40.078 > 3 12 Ca 0.70440949189814 0.50000000000000 0.17958130666898 40.078 > 3 13 Ca 0.29559050810186 0.00000000000000 0.82041869333102 40.078 > 4 14 Ca 0.79559050810186 0.00000000000000 0.82041869333102 40.078 > 4 15 Ca 0.29559050810186 0.50000000000000 0.82041869333102 40.078 > 4 16 Ca 0.79559050810186 0.50000000000000 0.82041869333102 40.078 > 4 *17 C 0.25000000000000 0.05282975115048 0.50000000000000 12.011 > 5 18 C 0.75000000000000 0.05282975115048 0.50000000000000 12.011 > 5 19 C 0.25000000000000 0.55282975115048 0.50000000000000 12.011 > 5 20 C 0.75000000000000 0.55282975115048 0.50000000000000 12.011 > 5 *21 C 0.25000000000000 0.30282907714452 0.00000000000000 12.011 > 6 22 C 0.75000000000000 0.30282907714452 0.00000000000000 12.011 > 6 23 C 0.25000000000000 0.80282907714452 0.00000000000000 12.011 > 6 24 C 0.75000000000000 0.80282907714452 0.00000000000000 12.011 > 6 *25 C 0.03316046280736 0.25000000000000 0.56934965169422 12.011 > 7 26 C 0.53316046280736 0.25000000000000 0.56934965169422 12.011 > 7 27 C 0.03316046280736 0.75000000000000 0.56934965169422 12.011 > 7 28 C 0.53316046280736 0.75000000000000 0.56934965169422 12.011 > 7 29 C 0.25000000000000 0.44717024884952 0.50000000000000 12.011 > 8 30 C 0.75000000000000 0.44717024884952 0.50000000000000 12.011 > 8 31 C 0.25000000000000 0.94717024884952 0.50000000000000 12.011 > 8 32 C 0.75000000000000 0.94717024884952 0.50000000000000 12.011 > 8 33 C 0.25000000000000 0.19717092285548 0.00000000000000 12.011 > 9 34 C 0.75000000000000 0.19717092285548 0.00000000000000 12.011 > 9 35 C 0.25000000000000 0.69717092285548 0.00000000000000 12.011 > 9 36 C 0.75000000000000 0.69717092285548 0.00000000000000 12.011 > 9 *37 C 0.46686125954368 0.00000000000000 0.06935233857633 12.011 > 10 38 C 0.96686125954367 0.00000000000000 0.06935233857633 12.011 > 10 39 C 0.46686125954368 0.50000000000000 0.06935233857633 12.011 > 10 40 C 0.96686125954367 0.50000000000000 0.06935233857633 12.011 > 10 41 C 0.46683953719264 0.25000000000000 0.43065034830578 12.011 > 11 42 C 0.96683953719264 0.25000000000000 0.43065034830578 12.011 > 11 43 C 0.46683953719264 0.75000000000000 0.43065034830578 12.011 > 11 44 C 0.96683953719264 0.75000000000000 0.43065034830578 12.011 > 11 45 C 0.03313874045632 0.00000000000000 0.93064766142367 12.011 > 12 46 C 0.53313874045633 0.00000000000000 0.93064766142367 12.011 > 12 47 C 0.03313874045632 0.50000000000000 0.93064766142367 12.011 > 12 48 C 0.53313874045633 0.50000000000000 0.93064766142367 12.011 > 12 *49 O 0.22485026676548 0.40883589042197 0.38604066786661 15.999 > 13 50 O 0.72485026676548 0.40883589042197 0.38604066786661 15.999 > 13 51 O 0.22485026676548 0.90883589042197 0.38604066786661 15.999 > 13 52 O 0.72485026676548 0.90883589042197 0.38604066786661 15.999 > 13 53 O 0.27514973323452 0.40883589042197 0.61395933213339 15.999 > 14 54 O 0.77514973323452 0.40883589042197 0.61395933213339 15.999 > 14 55 O 0.27514973323452 0.90883589042197 0.61395933213339 15.999 > 14 56 O 0.77514973323452 0.90883589042197 0.61395933213339 15.999 > 14 57 O 0.27514973323452 0.09116410957803 0.61395933213339 15.999 > 15 58 O 0.77514973323452 0.09116410957803 0.61395933213339 15.999 > 15 59 O 0.27514973323452 0.59116410957803 0.61395933213339 15.999 > 15 60 O 0.77514973323452 0.59116410957803 0.61395933213339 15.999 > 15 *61 O 0.22484004215381 0.15883661796440 0.11394557915532 15.999 > 16 62 O 0.72484004215381 0.15883661796440 0.11394557915532 15.999 > 16 63 O 0.22484004215381 0.65883661796440 0.11394557915532 15.999 > 16 64 O 0.72484004215381 0.65883661796440 0.11394557915532 15.999 > 16 *65 O 0.13531705606337 0.25000000000000 0.55404402501780 15.999 > 17 66 O 0.63531705606337 0.25000000000000 0.55404402501780 15.999 > 17 67 O 0.13531705606337 0.75000000000000 0.55404402501780 15.999 > 17 68 O 0.63531705606337 0.75000000000000 0.55404402501780 15.999 > 17 69 O 0.22484004215381 0.34116338203560 0.11394557915532 15.999 > 18 70 O 0.72484004215381 0.34116338203560 0.11394557915532 15.999 > 18 71 O 0.22484004215381 0.84116338203560 0.11394557915532 15.999 > 18 72 O 0.72484004215381 0.84116338203560 0.11394557915532 15.999 > 18 *73 O 0.48275285273650 0.25000000000000 0.68321722586328 15.999 > 19 74 O 0.98275285273650 0.25000000000000 0.68321722586328 15.999 > 19 75 O 0.48275285273650 0.75000000000000 0.68321722586328 15.999 > 19 76 O 0.98275285273650 0.75000000000000 0.68321722586328 15.999 > 19 *77 O 0.48269732673774 0.00000000000000 0.81678565827238 15.999 > 20 78 O 0.98269732673774 0.00000000000000 0.81678565827238 15.999 > 20 79 O 0.48269732673774 0.50000000000000 0.81678565827238 15.999 > 20 80 O 0.98269732673774 0.50000000000000 0.81678565827238 15.999 > 20 81 O 0.27515995784619 0.34116338203560 0.88605442084468 15.999 > 21 82 O 0.77515995784619 0.34116338203560 0.88605442084468 15.999 > 21 83 O 0.27515995784619 0.84116338203560 0.88605442084468 15.999 > 21 84 O 0.77515995784619 0.84116338203560 0.88605442084468 15.999 > 21 85 O 0.27515995784619 0.15883661796440 0.88605442084468 15.999 > 22 86 O 0.77515995784619 0.15883661796440 0.88605442084468 15.999 > 22 87 O 0.27515995784619 0.65883661796440 0.88605442084468 15.999 > 22 88 O 0.77515995784619 0.65883661796440 0.88605442084468 15.999 > 22 89 O 0.01730267326226 0.00000000000000 0.18321434172762 15.999 > 23 90 O 0.51730267326226 0.00000000000000 0.18321434172762 15.999 > 23 91 O 0.01730267326226 0.50000000000000 0.18321434172762 15.999 > 23 92 O 0.51730267326226 0.50000000000000 0.18321434172762 15.999 > 23 93 O 0.01724714726350 0.25000000000000 0.31678277413672 15.999 > 24 94 O 0.51724714726350 0.25000000000000 0.31678277413672 15.999 > 24 95 O 0.01724714726350 0.75000000000000 0.31678277413672 15.999 > 24 96 O 0.51724714726350 0.75000000000000 0.31678277413672 15.999 > 24 97 O 0.36468294393663 0.25000000000000 0.44595597498220 15.999 > 25 98 O 0.86468294393663 0.25000000000000 0.44595597498220 15.999 > 25 99 O 0.36468294393663 0.75000000000000 0.44595597498220 15.999 > 25 100 O 0.86468294393663 0.75000000000000 0.44595597498220 15.999 > 25 *101 O 0.13530002511771 0.00000000000000 0.94594354680575 15.999 > 26 102 O 0.63530002511771 0.00000000000000 0.94594354680575 15.999 > 26 103 O 0.13530002511771 0.50000000000000 0.94594354680575 15.999 > 26 104 O 0.63530002511771 0.50000000000000 0.94594354680575 15.999 > 26 105 O 0.36469997488229 0.00000000000000 0.05405645319425 15.999 > 27 106 O 0.86469997488229 0.00000000000000 0.05405645319425 15.999 > 27 107 O 0.36469997488229 0.50000000000000 0.05405645319425 15.999 > 27 108 O 0.86469997488229 0.50000000000000 0.05405645319425 15.999 > 27 109 O 0.22485026676548 0.09116410957803 0.38604066786661 15.999 > 28 110 O 0.72485026676548 0.09116410957803 0.38604066786661 15.999 > 28 111 O 0.22485026676548 0.59116410957803 0.38604066786661 15.999 > 28 112 O 0.72485026676548 0.59116410957803 0.38604066786661 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3394356 0.0000000 -0.0001010 0.0000000 2.1150258 0.0000000 -0.0000996 0.0000000 2.5500047 -------------------------- Born effective charges -------------------------- 1 Ca 2.5513190 0.0000000 -0.1077908 -0.0000000 2.2425427 0.0000000 -0.2358617 0.0000000 2.6930447 2 Ca 2.5513190 0.0000000 -0.1077908 -0.0000000 2.2425427 0.0000000 -0.2358617 0.0000000 2.6930447 3 Ca 2.5512297 0.0000000 0.1073065 -0.0000000 2.2425043 0.0000000 0.2355086 0.0000000 2.6930744 4 Ca 2.5512297 0.0000000 0.1073065 -0.0000000 2.2425043 0.0000000 0.2355086 0.0000000 2.6930744 5 C 0.5277385 0.0000000 0.5749420 -0.0000000 1.2654562 0.0000000 0.6583327 0.0000000 2.7233585 6 C 0.5282973 0.0000000 -0.5757597 -0.0000000 1.2654769 0.0000000 -0.6592789 0.0000000 2.7228385 7 C 2.6668419 0.0000000 -0.9235160 -0.0000000 0.3050111 0.0000000 -0.6643960 0.0000000 1.4524896 8 C 0.5277385 0.0000000 0.5749420 -0.0000000 1.2654562 0.0000000 0.6583327 0.0000000 2.7233585 9 C 0.5282973 0.0000000 -0.5757597 -0.0000000 1.2654769 0.0000000 -0.6592789 0.0000000 2.7228385 10 C 2.6670624 0.0000000 0.9234731 -0.0000000 0.3050318 0.0000000 0.6643499 0.0000000 1.4523763 11 C 2.6668419 0.0000000 -0.9235160 -0.0000000 0.3050111 0.0000000 -0.6643960 0.0000000 1.4524896 12 C 2.6670624 0.0000000 0.9234731 -0.0000000 0.3050318 0.0000000 0.6643499 0.0000000 1.4523763 13 O -0.6393659 -0.1551672 -0.3630905 -0.0988648 -1.3600801 -0.2482129 -0.3939524 -0.5552830 -2.1737573 14 O -0.6393659 0.1551672 -0.3630905 0.0988648 -1.3600801 0.2482129 -0.3939524 0.5552830 -2.1737573 15 O -0.6393659 -0.1551672 -0.3630905 -0.0988648 -1.3600801 -0.2482129 -0.3939524 -0.5552830 -2.1737573 16 O -0.6396503 -0.1554135 0.3636569 -0.0988632 -1.3600730 0.2481800 0.3946142 0.5552979 -2.1734048 17 O -2.6738818 0.0000000 0.0124524 -0.0000000 -0.6069979 0.0000000 0.3889628 0.0000000 -1.0664064 18 O -0.6396503 0.1554135 0.3636569 0.0988632 -1.3600730 -0.2481800 0.3946142 -0.5552979 -2.1734048 19 O -1.7931773 0.0000000 0.9098957 -0.0000000 -0.4858641 0.0000000 0.4532250 0.0000000 -1.4550576 20 O -1.7932905 0.0000000 -0.9098742 -0.0000000 -0.4858614 0.0000000 -0.4532695 0.0000000 -1.4549914 21 O -0.6396503 -0.1554135 0.3636569 -0.0988632 -1.3600730 0.2481800 0.3946142 0.5552979 -2.1734048 22 O -0.6396503 0.1554135 0.3636569 0.0988632 -1.3600730 -0.2481800 0.3946142 -0.5552979 -2.1734048 23 O -1.7932905 0.0000000 -0.9098742 -0.0000000 -0.4858614 0.0000000 -0.4532695 0.0000000 -1.4549914 24 O -1.7931773 0.0000000 0.9098957 -0.0000000 -0.4858641 0.0000000 0.4532250 0.0000000 -1.4550576 25 O -2.6738818 0.0000000 0.0124524 -0.0000000 -0.6069979 0.0000000 0.3889628 0.0000000 -1.0664064 26 O -2.6741068 0.0000000 -0.0122616 -0.0000000 -0.6069933 0.0000000 -0.3888965 0.0000000 -1.0664024 27 O -2.6741068 0.0000000 -0.0122616 -0.0000000 -0.6069933 0.0000000 -0.3888965 0.0000000 -1.0664024 28 O -0.6393659 0.1551672 -0.3630905 0.0988648 -1.3600801 0.2482129 -0.3939524 0.5552830 -2.1737573 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3768 Number of blocks in projector: 3768 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: 928 Use submatrix version of eigh solver. (1) Block: 500 / 928 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 928 / 928 (1) 409 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Block: 640 / 640 (1) 136 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Block: 640 / 640 (1) 136 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 238 eigenvectors found. (2) Block: 520 / 520 (2) 259 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 238 eigenvectors found. (2) Block: 520 / 520 (2) 259 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 238 eigenvectors found. (2) Block: 520 / 520 (2) 259 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (3768, 3701), data: False |-- (520, 508), data: False |-- (520, 508), data: False |-- (520, 11), data: (520, 23) @ (23, 11) |-- (270, 259), data: True |-- (250, 238), data: True |-- (520, 508), data: False |-- (520, 508), data: False |-- (520, 11), data: (520, 23) @ (23, 11) |-- (270, 259), data: True |-- (250, 238), data: True |-- (520, 508), data: False |-- (520, 508), data: False |-- (520, 11), data: (520, 23) @ (23, 11) |-- (270, 259), data: True |-- (250, 238), data: True |-- (640, 636), data: False |-- (640, 4), data: (640, 8) @ (8, 4) |-- (140, 136), data: True |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (640, 636), data: False |-- (640, 4), data: (640, 8) @ (8, 4) |-- (140, 136), data: True |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (928, 905), data: False |-- (928, 19), data: (928, 42) @ (42, 19) |-- (428, 409), data: True |-- (500, 477), data: False |-- (500, 17), data: (500, 40) @ (40, 17) |-- (250, 227), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.922 Solver_block: 200 / 880 - Time: 0.832 Solver_block: 300 / 880 - Time: 0.825 Solver_block: 400 / 880 - Time: 0.831 Solver_block: 500 / 880 - Time: 0.831 Solver_block: 600 / 880 - Time: 0.817 Solver_block: 700 / 880 - Time: 0.828 Solver_block: 800 / 880 - Time: 0.823 Solver_block: 880 / 880 - Time: 0.684 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.581 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3768 Number of blocks in projector: 3768 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: 928 Use submatrix version of eigh solver. (1) Block: 500 / 928 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 928 / 928 (1) 409 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Block: 640 / 640 (1) 136 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 246 eigenvectors found. (2) Block: 500 / 500 (2) 246 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 496 eigenvectors found. (1) Block: 640 / 640 (1) 136 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 238 eigenvectors found. (2) Block: 520 / 520 (2) 259 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 238 eigenvectors found. (2) Block: 520 / 520 (2) 259 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 238 eigenvectors found. (2) Block: 520 / 520 (2) 259 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (3768, 3701), data: False |-- (520, 508), data: False |-- (520, 508), data: False |-- (520, 11), data: (520, 23) @ (23, 11) |-- (270, 259), data: True |-- (250, 238), data: True |-- (520, 508), data: False |-- (520, 508), data: False |-- (520, 11), data: (520, 23) @ (23, 11) |-- (270, 259), data: True |-- (250, 238), data: True |-- (520, 508), data: False |-- (520, 508), data: False |-- (520, 11), data: (520, 23) @ (23, 11) |-- (270, 259), data: True |-- (250, 238), data: True |-- (640, 636), data: False |-- (640, 4), data: (640, 8) @ (8, 4) |-- (140, 136), data: True |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (640, 636), data: False |-- (640, 4), data: (640, 8) @ (8, 4) |-- (140, 136), data: True |-- (500, 496), data: False |-- (500, 4), data: (500, 8) @ (8, 4) |-- (250, 246), data: True |-- (250, 246), data: True |-- (928, 905), data: False |-- (928, 19), data: (928, 42) @ (42, 19) |-- (428, 409), data: True |-- (500, 477), data: False |-- (500, 17), data: (500, 40) @ (40, 17) |-- (250, 227), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:19:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:19:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.184654351147544 0.000000000000000 0.000000000000000 b 0.000000000000000 7.352757089999999 0.000000000000000 c -0.001519687906969 0.000000000000000 9.536644261044474 Atomic positions (fractional): 1 Ca 0.59127011020825 0.50000000000000 0.67959693593992 40.078 2 Ca 0.40872988979175 0.50000000000000 0.32040306406008 40.078 3 Ca 0.40881898379629 0.00000000000000 0.17958130666898 40.078 4 Ca 0.59118101620371 0.00000000000000 0.82041869333102 40.078 5 C 0.50000000000000 0.10565950230095 0.50000000000000 12.011 6 C 0.50000000000000 0.60565815428904 0.00000000000000 12.011 7 C 0.06632092561472 0.50000000000000 0.56934965169422 12.011 8 C 0.50000000000000 0.89434049769905 0.50000000000000 12.011 9 C 0.50000000000000 0.39434184571096 0.00000000000000 12.011 10 C 0.93372251908735 0.00000000000000 0.06935233857633 12.011 11 C 0.93367907438528 0.50000000000000 0.43065034830578 12.011 12 C 0.06627748091265 0.00000000000000 0.93064766142367 12.011 13 O 0.44970053353095 0.81767178084394 0.38604066786661 15.999 14 O 0.55029946646905 0.81767178084394 0.61395933213339 15.999 15 O 0.55029946646905 0.18232821915606 0.61395933213339 15.999 16 O 0.44968008430761 0.31767323592879 0.11394557915532 15.999 17 O 0.27063411212674 0.50000000000000 0.55404402501780 15.999 18 O 0.44968008430761 0.68232676407121 0.11394557915532 15.999 19 O 0.96550570547300 0.50000000000000 0.68321722586328 15.999 20 O 0.96539465347548 0.00000000000000 0.81678565827238 15.999 21 O 0.55031991569239 0.68232676407121 0.88605442084468 15.999 22 O 0.55031991569239 0.31767323592879 0.88605442084468 15.999 23 O 0.03460534652452 0.00000000000000 0.18321434172762 15.999 24 O 0.03449429452700 0.50000000000000 0.31678277413672 15.999 25 O 0.72936588787326 0.50000000000000 0.44595597498220 15.999 26 O 0.27060005023543 0.00000000000000 0.94594354680575 15.999 27 O 0.72939994976457 0.00000000000000 0.05405645319425 15.999 28 O 0.44970053353095 0.18232821915606 0.38604066786661 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.369308702295088 0.000000000000000 0.000000000000000 b 0.000000000000000 14.705514179999998 0.000000000000000 c -0.001519687906969 0.000000000000000 9.536644261044474 Atomic positions (fractional): 1 Ca 0.29563505510412 0.25000000000000 0.67959693593992 40.078 > 1 2 Ca 0.79563505510412 0.25000000000000 0.67959693593992 40.078 > 1 3 Ca 0.29563505510412 0.75000000000000 0.67959693593992 40.078 > 1 4 Ca 0.79563505510412 0.75000000000000 0.67959693593992 40.078 > 1 5 Ca 0.20436494489588 0.25000000000000 0.32040306406008 40.078 > 5 6 Ca 0.70436494489588 0.25000000000000 0.32040306406008 40.078 > 5 7 Ca 0.20436494489588 0.75000000000000 0.32040306406008 40.078 > 5 8 Ca 0.70436494489588 0.75000000000000 0.32040306406008 40.078 > 5 9 Ca 0.20440949189814 0.00000000000000 0.17958130666898 40.078 > 9 10 Ca 0.70440949189814 0.00000000000000 0.17958130666898 40.078 > 9 11 Ca 0.20440949189814 0.50000000000000 0.17958130666898 40.078 > 9 12 Ca 0.70440949189814 0.50000000000000 0.17958130666898 40.078 > 9 13 Ca 0.29559050810186 0.00000000000000 0.82041869333102 40.078 > 13 14 Ca 0.79559050810186 0.00000000000000 0.82041869333102 40.078 > 13 15 Ca 0.29559050810186 0.50000000000000 0.82041869333102 40.078 > 13 16 Ca 0.79559050810186 0.50000000000000 0.82041869333102 40.078 > 13 17 C 0.25000000000000 0.05282975115048 0.50000000000000 12.011 > 17 18 C 0.75000000000000 0.05282975115048 0.50000000000000 12.011 > 17 19 C 0.25000000000000 0.55282975115048 0.50000000000000 12.011 > 17 20 C 0.75000000000000 0.55282975115048 0.50000000000000 12.011 > 17 21 C 0.25000000000000 0.30282907714452 0.00000000000000 12.011 > 21 22 C 0.75000000000000 0.30282907714452 0.00000000000000 12.011 > 21 23 C 0.25000000000000 0.80282907714452 0.00000000000000 12.011 > 21 24 C 0.75000000000000 0.80282907714452 0.00000000000000 12.011 > 21 25 C 0.03316046280736 0.25000000000000 0.56934965169422 12.011 > 25 26 C 0.53316046280736 0.25000000000000 0.56934965169422 12.011 > 25 27 C 0.03316046280736 0.75000000000000 0.56934965169422 12.011 > 25 28 C 0.53316046280736 0.75000000000000 0.56934965169422 12.011 > 25 29 C 0.25000000000000 0.44717024884952 0.50000000000000 12.011 > 29 30 C 0.75000000000000 0.44717024884952 0.50000000000000 12.011 > 29 31 C 0.25000000000000 0.94717024884952 0.50000000000000 12.011 > 29 32 C 0.75000000000000 0.94717024884952 0.50000000000000 12.011 > 29 33 C 0.25000000000000 0.19717092285548 0.00000000000000 12.011 > 33 34 C 0.75000000000000 0.19717092285548 0.00000000000000 12.011 > 33 35 C 0.25000000000000 0.69717092285548 0.00000000000000 12.011 > 33 36 C 0.75000000000000 0.69717092285548 0.00000000000000 12.011 > 33 37 C 0.46686125954368 0.00000000000000 0.06935233857633 12.011 > 37 38 C 0.96686125954367 0.00000000000000 0.06935233857633 12.011 > 37 39 C 0.46686125954368 0.50000000000000 0.06935233857633 12.011 > 37 40 C 0.96686125954367 0.50000000000000 0.06935233857633 12.011 > 37 41 C 0.46683953719264 0.25000000000000 0.43065034830578 12.011 > 41 42 C 0.96683953719264 0.25000000000000 0.43065034830578 12.011 > 41 43 C 0.46683953719264 0.75000000000000 0.43065034830578 12.011 > 41 44 C 0.96683953719264 0.75000000000000 0.43065034830578 12.011 > 41 45 C 0.03313874045632 0.00000000000000 0.93064766142367 12.011 > 45 46 C 0.53313874045633 0.00000000000000 0.93064766142367 12.011 > 45 47 C 0.03313874045632 0.50000000000000 0.93064766142367 12.011 > 45 48 C 0.53313874045633 0.50000000000000 0.93064766142367 12.011 > 45 49 O 0.22485026676548 0.40883589042197 0.38604066786661 15.999 > 49 50 O 0.72485026676548 0.40883589042197 0.38604066786661 15.999 > 49 51 O 0.22485026676548 0.90883589042197 0.38604066786661 15.999 > 49 52 O 0.72485026676548 0.90883589042197 0.38604066786661 15.999 > 49 53 O 0.27514973323452 0.40883589042197 0.61395933213339 15.999 > 53 54 O 0.77514973323452 0.40883589042197 0.61395933213339 15.999 > 53 55 O 0.27514973323452 0.90883589042197 0.61395933213339 15.999 > 53 56 O 0.77514973323452 0.90883589042197 0.61395933213339 15.999 > 53 57 O 0.27514973323452 0.09116410957803 0.61395933213339 15.999 > 57 58 O 0.77514973323452 0.09116410957803 0.61395933213339 15.999 > 57 59 O 0.27514973323452 0.59116410957803 0.61395933213339 15.999 > 57 60 O 0.77514973323452 0.59116410957803 0.61395933213339 15.999 > 57 61 O 0.22484004215381 0.15883661796440 0.11394557915532 15.999 > 61 62 O 0.72484004215381 0.15883661796440 0.11394557915532 15.999 > 61 63 O 0.22484004215381 0.65883661796440 0.11394557915532 15.999 > 61 64 O 0.72484004215381 0.65883661796440 0.11394557915532 15.999 > 61 65 O 0.13531705606337 0.25000000000000 0.55404402501780 15.999 > 65 66 O 0.63531705606337 0.25000000000000 0.55404402501780 15.999 > 65 67 O 0.13531705606337 0.75000000000000 0.55404402501780 15.999 > 65 68 O 0.63531705606337 0.75000000000000 0.55404402501780 15.999 > 65 69 O 0.22484004215381 0.34116338203560 0.11394557915532 15.999 > 69 70 O 0.72484004215381 0.34116338203560 0.11394557915532 15.999 > 69 71 O 0.22484004215381 0.84116338203560 0.11394557915532 15.999 > 69 72 O 0.72484004215381 0.84116338203560 0.11394557915532 15.999 > 69 73 O 0.48275285273650 0.25000000000000 0.68321722586328 15.999 > 73 74 O 0.98275285273650 0.25000000000000 0.68321722586328 15.999 > 73 75 O 0.48275285273650 0.75000000000000 0.68321722586328 15.999 > 73 76 O 0.98275285273650 0.75000000000000 0.68321722586328 15.999 > 73 77 O 0.48269732673774 0.00000000000000 0.81678565827238 15.999 > 77 78 O 0.98269732673774 0.00000000000000 0.81678565827238 15.999 > 77 79 O 0.48269732673774 0.50000000000000 0.81678565827238 15.999 > 77 80 O 0.98269732673774 0.50000000000000 0.81678565827238 15.999 > 77 81 O 0.27515995784619 0.34116338203560 0.88605442084468 15.999 > 81 82 O 0.77515995784619 0.34116338203560 0.88605442084468 15.999 > 81 83 O 0.27515995784619 0.84116338203560 0.88605442084468 15.999 > 81 84 O 0.77515995784619 0.84116338203560 0.88605442084468 15.999 > 81 85 O 0.27515995784619 0.15883661796440 0.88605442084468 15.999 > 85 86 O 0.77515995784619 0.15883661796440 0.88605442084468 15.999 > 85 87 O 0.27515995784619 0.65883661796440 0.88605442084468 15.999 > 85 88 O 0.77515995784619 0.65883661796440 0.88605442084468 15.999 > 85 89 O 0.01730267326226 0.00000000000000 0.18321434172762 15.999 > 89 90 O 0.51730267326226 0.00000000000000 0.18321434172762 15.999 > 89 91 O 0.01730267326226 0.50000000000000 0.18321434172762 15.999 > 89 92 O 0.51730267326226 0.50000000000000 0.18321434172762 15.999 > 89 93 O 0.01724714726350 0.25000000000000 0.31678277413672 15.999 > 93 94 O 0.51724714726350 0.25000000000000 0.31678277413672 15.999 > 93 95 O 0.01724714726350 0.75000000000000 0.31678277413672 15.999 > 93 96 O 0.51724714726350 0.75000000000000 0.31678277413672 15.999 > 93 97 O 0.36468294393663 0.25000000000000 0.44595597498220 15.999 > 97 98 O 0.86468294393663 0.25000000000000 0.44595597498220 15.999 > 97 99 O 0.36468294393663 0.75000000000000 0.44595597498220 15.999 > 97 100 O 0.86468294393663 0.75000000000000 0.44595597498220 15.999 > 97 101 O 0.13530002511771 0.00000000000000 0.94594354680575 15.999 > 101 102 O 0.63530002511771 0.00000000000000 0.94594354680575 15.999 > 101 103 O 0.13530002511771 0.50000000000000 0.94594354680575 15.999 > 101 104 O 0.63530002511771 0.50000000000000 0.94594354680575 15.999 > 101 105 O 0.36469997488229 0.00000000000000 0.05405645319425 15.999 > 105 106 O 0.86469997488229 0.00000000000000 0.05405645319425 15.999 > 105 107 O 0.36469997488229 0.50000000000000 0.05405645319425 15.999 > 105 108 O 0.86469997488229 0.50000000000000 0.05405645319425 15.999 > 105 109 O 0.22485026676548 0.09116410957803 0.38604066786661 15.999 > 109 110 O 0.72485026676548 0.09116410957803 0.38604066786661 15.999 > 109 111 O 0.22485026676548 0.59116410957803 0.38604066786661 15.999 > 109 112 O 0.72485026676548 0.59116410957803 0.38604066786661 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3394356 0.0000000 -0.0001010 0.0000000 2.1150258 0.0000000 -0.0000996 0.0000000 2.5500047 -------------------------- Born effective charges -------------------------- 1 Ca 2.5513190 0.0000000 -0.1077908 -0.0000000 2.2425427 0.0000000 -0.2358617 0.0000000 2.6930447 2 Ca 2.5513190 0.0000000 -0.1077908 -0.0000000 2.2425427 0.0000000 -0.2358617 0.0000000 2.6930447 3 Ca 2.5512297 0.0000000 0.1073065 -0.0000000 2.2425043 0.0000000 0.2355086 0.0000000 2.6930744 4 Ca 2.5512297 0.0000000 0.1073065 -0.0000000 2.2425043 0.0000000 0.2355086 0.0000000 2.6930744 5 C 0.5277385 0.0000000 0.5749420 -0.0000000 1.2654562 0.0000000 0.6583327 0.0000000 2.7233585 6 C 0.5282973 0.0000000 -0.5757597 -0.0000000 1.2654769 0.0000000 -0.6592789 0.0000000 2.7228385 7 C 2.6668419 0.0000000 -0.9235160 -0.0000000 0.3050111 0.0000000 -0.6643960 0.0000000 1.4524896 8 C 0.5277385 0.0000000 0.5749420 -0.0000000 1.2654562 0.0000000 0.6583327 0.0000000 2.7233585 9 C 0.5282973 0.0000000 -0.5757597 -0.0000000 1.2654769 0.0000000 -0.6592789 0.0000000 2.7228385 10 C 2.6670624 0.0000000 0.9234731 -0.0000000 0.3050318 0.0000000 0.6643499 0.0000000 1.4523763 11 C 2.6668419 0.0000000 -0.9235160 -0.0000000 0.3050111 0.0000000 -0.6643960 0.0000000 1.4524896 12 C 2.6670624 0.0000000 0.9234731 -0.0000000 0.3050318 0.0000000 0.6643499 0.0000000 1.4523763 13 O -0.6393659 -0.1551672 -0.3630905 -0.0988648 -1.3600801 -0.2482129 -0.3939524 -0.5552830 -2.1737573 14 O -0.6393659 0.1551672 -0.3630905 0.0988648 -1.3600801 0.2482129 -0.3939524 0.5552830 -2.1737573 15 O -0.6393659 -0.1551672 -0.3630905 -0.0988648 -1.3600801 -0.2482129 -0.3939524 -0.5552830 -2.1737573 16 O -0.6396503 -0.1554135 0.3636569 -0.0988632 -1.3600730 0.2481800 0.3946142 0.5552979 -2.1734048 17 O -2.6738818 0.0000000 0.0124524 -0.0000000 -0.6069979 0.0000000 0.3889628 0.0000000 -1.0664064 18 O -0.6396503 0.1554135 0.3636569 0.0988632 -1.3600730 -0.2481800 0.3946142 -0.5552979 -2.1734048 19 O -1.7931773 0.0000000 0.9098957 -0.0000000 -0.4858641 0.0000000 0.4532250 0.0000000 -1.4550576 20 O -1.7932905 0.0000000 -0.9098742 -0.0000000 -0.4858614 0.0000000 -0.4532695 0.0000000 -1.4549914 21 O -0.6396503 -0.1554135 0.3636569 -0.0988632 -1.3600730 0.2481800 0.3946142 0.5552979 -2.1734048 22 O -0.6396503 0.1554135 0.3636569 0.0988632 -1.3600730 -0.2481800 0.3946142 -0.5552979 -2.1734048 23 O -1.7932905 0.0000000 -0.9098742 -0.0000000 -0.4858614 0.0000000 -0.4532695 0.0000000 -1.4549914 24 O -1.7931773 0.0000000 0.9098957 -0.0000000 -0.4858641 0.0000000 0.4532250 0.0000000 -1.4550576 25 O -2.6738818 0.0000000 0.0124524 -0.0000000 -0.6069979 0.0000000 0.3889628 0.0000000 -1.0664064 26 O -2.6741068 0.0000000 -0.0122616 -0.0000000 -0.6069933 0.0000000 -0.3888965 0.0000000 -1.0664024 27 O -2.6741068 0.0000000 -0.0122616 -0.0000000 -0.6069933 0.0000000 -0.3888965 0.0000000 -1.0664024 28 O -0.6393659 0.1551672 -0.3630905 0.0988648 -1.3600801 0.2482129 -0.3939524 0.5552830 -2.1737573 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000011 (yyy) 0.00000011 (yyy) 0.00000011 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) 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 14:19:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:19:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.184654351147544 0.000000000000000 0.000000000000000 b 0.000000000000000 7.352757089999999 0.000000000000000 c -0.001519687906969 0.000000000000000 9.536644261044474 Atomic positions (fractional): 1 Ca 0.59127011020825 0.50000000000000 0.67959693593992 40.078 2 Ca 0.40872988979175 0.50000000000000 0.32040306406008 40.078 3 Ca 0.40881898379629 0.00000000000000 0.17958130666898 40.078 4 Ca 0.59118101620371 0.00000000000000 0.82041869333102 40.078 5 C 0.50000000000000 0.10565950230095 0.50000000000000 12.011 6 C 0.50000000000000 0.60565815428904 0.00000000000000 12.011 7 C 0.06632092561472 0.50000000000000 0.56934965169422 12.011 8 C 0.50000000000000 0.89434049769905 0.50000000000000 12.011 9 C 0.50000000000000 0.39434184571096 0.00000000000000 12.011 10 C 0.93372251908735 0.00000000000000 0.06935233857633 12.011 11 C 0.93367907438528 0.50000000000000 0.43065034830578 12.011 12 C 0.06627748091265 0.00000000000000 0.93064766142367 12.011 13 O 0.44970053353095 0.81767178084394 0.38604066786661 15.999 14 O 0.55029946646905 0.81767178084394 0.61395933213339 15.999 15 O 0.55029946646905 0.18232821915606 0.61395933213339 15.999 16 O 0.44968008430761 0.31767323592879 0.11394557915532 15.999 17 O 0.27063411212674 0.50000000000000 0.55404402501780 15.999 18 O 0.44968008430761 0.68232676407121 0.11394557915532 15.999 19 O 0.96550570547300 0.50000000000000 0.68321722586328 15.999 20 O 0.96539465347548 0.00000000000000 0.81678565827238 15.999 21 O 0.55031991569239 0.68232676407121 0.88605442084468 15.999 22 O 0.55031991569239 0.31767323592879 0.88605442084468 15.999 23 O 0.03460534652452 0.00000000000000 0.18321434172762 15.999 24 O 0.03449429452700 0.50000000000000 0.31678277413672 15.999 25 O 0.72936588787326 0.50000000000000 0.44595597498220 15.999 26 O 0.27060005023543 0.00000000000000 0.94594354680575 15.999 27 O 0.72939994976457 0.00000000000000 0.05405645319425 15.999 28 O 0.44970053353095 0.18232821915606 0.38604066786661 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.369308702295088 0.000000000000000 0.000000000000000 b 0.000000000000000 14.705514179999998 0.000000000000000 c -0.001519687906969 0.000000000000000 9.536644261044474 Atomic positions (fractional): 1 Ca 0.29563505510412 0.25000000000000 0.67959693593992 40.078 > 1 2 Ca 0.79563505510412 0.25000000000000 0.67959693593992 40.078 > 1 3 Ca 0.29563505510412 0.75000000000000 0.67959693593992 40.078 > 1 4 Ca 0.79563505510412 0.75000000000000 0.67959693593992 40.078 > 1 5 Ca 0.20436494489588 0.25000000000000 0.32040306406008 40.078 > 5 6 Ca 0.70436494489588 0.25000000000000 0.32040306406008 40.078 > 5 7 Ca 0.20436494489588 0.75000000000000 0.32040306406008 40.078 > 5 8 Ca 0.70436494489588 0.75000000000000 0.32040306406008 40.078 > 5 9 Ca 0.20440949189814 0.00000000000000 0.17958130666898 40.078 > 9 10 Ca 0.70440949189814 0.00000000000000 0.17958130666898 40.078 > 9 11 Ca 0.20440949189814 0.50000000000000 0.17958130666898 40.078 > 9 12 Ca 0.70440949189814 0.50000000000000 0.17958130666898 40.078 > 9 13 Ca 0.29559050810186 0.00000000000000 0.82041869333102 40.078 > 13 14 Ca 0.79559050810186 0.00000000000000 0.82041869333102 40.078 > 13 15 Ca 0.29559050810186 0.50000000000000 0.82041869333102 40.078 > 13 16 Ca 0.79559050810186 0.50000000000000 0.82041869333102 40.078 > 13 17 C 0.25000000000000 0.05282975115048 0.50000000000000 12.011 > 17 18 C 0.75000000000000 0.05282975115048 0.50000000000000 12.011 > 17 19 C 0.25000000000000 0.55282975115048 0.50000000000000 12.011 > 17 20 C 0.75000000000000 0.55282975115048 0.50000000000000 12.011 > 17 21 C 0.25000000000000 0.30282907714452 0.00000000000000 12.011 > 21 22 C 0.75000000000000 0.30282907714452 0.00000000000000 12.011 > 21 23 C 0.25000000000000 0.80282907714452 0.00000000000000 12.011 > 21 24 C 0.75000000000000 0.80282907714452 0.00000000000000 12.011 > 21 25 C 0.03316046280736 0.25000000000000 0.56934965169422 12.011 > 25 26 C 0.53316046280736 0.25000000000000 0.56934965169422 12.011 > 25 27 C 0.03316046280736 0.75000000000000 0.56934965169422 12.011 > 25 28 C 0.53316046280736 0.75000000000000 0.56934965169422 12.011 > 25 29 C 0.25000000000000 0.44717024884952 0.50000000000000 12.011 > 29 30 C 0.75000000000000 0.44717024884952 0.50000000000000 12.011 > 29 31 C 0.25000000000000 0.94717024884952 0.50000000000000 12.011 > 29 32 C 0.75000000000000 0.94717024884952 0.50000000000000 12.011 > 29 33 C 0.25000000000000 0.19717092285548 0.00000000000000 12.011 > 33 34 C 0.75000000000000 0.19717092285548 0.00000000000000 12.011 > 33 35 C 0.25000000000000 0.69717092285548 0.00000000000000 12.011 > 33 36 C 0.75000000000000 0.69717092285548 0.00000000000000 12.011 > 33 37 C 0.46686125954368 0.00000000000000 0.06935233857633 12.011 > 37 38 C 0.96686125954367 0.00000000000000 0.06935233857633 12.011 > 37 39 C 0.46686125954368 0.50000000000000 0.06935233857633 12.011 > 37 40 C 0.96686125954367 0.50000000000000 0.06935233857633 12.011 > 37 41 C 0.46683953719264 0.25000000000000 0.43065034830578 12.011 > 41 42 C 0.96683953719264 0.25000000000000 0.43065034830578 12.011 > 41 43 C 0.46683953719264 0.75000000000000 0.43065034830578 12.011 > 41 44 C 0.96683953719264 0.75000000000000 0.43065034830578 12.011 > 41 45 C 0.03313874045632 0.00000000000000 0.93064766142367 12.011 > 45 46 C 0.53313874045633 0.00000000000000 0.93064766142367 12.011 > 45 47 C 0.03313874045632 0.50000000000000 0.93064766142367 12.011 > 45 48 C 0.53313874045633 0.50000000000000 0.93064766142367 12.011 > 45 49 O 0.22485026676548 0.40883589042197 0.38604066786661 15.999 > 49 50 O 0.72485026676548 0.40883589042197 0.38604066786661 15.999 > 49 51 O 0.22485026676548 0.90883589042197 0.38604066786661 15.999 > 49 52 O 0.72485026676548 0.90883589042197 0.38604066786661 15.999 > 49 53 O 0.27514973323452 0.40883589042197 0.61395933213339 15.999 > 53 54 O 0.77514973323452 0.40883589042197 0.61395933213339 15.999 > 53 55 O 0.27514973323452 0.90883589042197 0.61395933213339 15.999 > 53 56 O 0.77514973323452 0.90883589042197 0.61395933213339 15.999 > 53 57 O 0.27514973323452 0.09116410957803 0.61395933213339 15.999 > 57 58 O 0.77514973323452 0.09116410957803 0.61395933213339 15.999 > 57 59 O 0.27514973323452 0.59116410957803 0.61395933213339 15.999 > 57 60 O 0.77514973323452 0.59116410957803 0.61395933213339 15.999 > 57 61 O 0.22484004215381 0.15883661796440 0.11394557915532 15.999 > 61 62 O 0.72484004215381 0.15883661796440 0.11394557915532 15.999 > 61 63 O 0.22484004215381 0.65883661796440 0.11394557915532 15.999 > 61 64 O 0.72484004215381 0.65883661796440 0.11394557915532 15.999 > 61 65 O 0.13531705606337 0.25000000000000 0.55404402501780 15.999 > 65 66 O 0.63531705606337 0.25000000000000 0.55404402501780 15.999 > 65 67 O 0.13531705606337 0.75000000000000 0.55404402501780 15.999 > 65 68 O 0.63531705606337 0.75000000000000 0.55404402501780 15.999 > 65 69 O 0.22484004215381 0.34116338203560 0.11394557915532 15.999 > 69 70 O 0.72484004215381 0.34116338203560 0.11394557915532 15.999 > 69 71 O 0.22484004215381 0.84116338203560 0.11394557915532 15.999 > 69 72 O 0.72484004215381 0.84116338203560 0.11394557915532 15.999 > 69 73 O 0.48275285273650 0.25000000000000 0.68321722586328 15.999 > 73 74 O 0.98275285273650 0.25000000000000 0.68321722586328 15.999 > 73 75 O 0.48275285273650 0.75000000000000 0.68321722586328 15.999 > 73 76 O 0.98275285273650 0.75000000000000 0.68321722586328 15.999 > 73 77 O 0.48269732673774 0.00000000000000 0.81678565827238 15.999 > 77 78 O 0.98269732673774 0.00000000000000 0.81678565827238 15.999 > 77 79 O 0.48269732673774 0.50000000000000 0.81678565827238 15.999 > 77 80 O 0.98269732673774 0.50000000000000 0.81678565827238 15.999 > 77 81 O 0.27515995784619 0.34116338203560 0.88605442084468 15.999 > 81 82 O 0.77515995784619 0.34116338203560 0.88605442084468 15.999 > 81 83 O 0.27515995784619 0.84116338203560 0.88605442084468 15.999 > 81 84 O 0.77515995784619 0.84116338203560 0.88605442084468 15.999 > 81 85 O 0.27515995784619 0.15883661796440 0.88605442084468 15.999 > 85 86 O 0.77515995784619 0.15883661796440 0.88605442084468 15.999 > 85 87 O 0.27515995784619 0.65883661796440 0.88605442084468 15.999 > 85 88 O 0.77515995784619 0.65883661796440 0.88605442084468 15.999 > 85 89 O 0.01730267326226 0.00000000000000 0.18321434172762 15.999 > 89 90 O 0.51730267326226 0.00000000000000 0.18321434172762 15.999 > 89 91 O 0.01730267326226 0.50000000000000 0.18321434172762 15.999 > 89 92 O 0.51730267326226 0.50000000000000 0.18321434172762 15.999 > 89 93 O 0.01724714726350 0.25000000000000 0.31678277413672 15.999 > 93 94 O 0.51724714726350 0.25000000000000 0.31678277413672 15.999 > 93 95 O 0.01724714726350 0.75000000000000 0.31678277413672 15.999 > 93 96 O 0.51724714726350 0.75000000000000 0.31678277413672 15.999 > 93 97 O 0.36468294393663 0.25000000000000 0.44595597498220 15.999 > 97 98 O 0.86468294393663 0.25000000000000 0.44595597498220 15.999 > 97 99 O 0.36468294393663 0.75000000000000 0.44595597498220 15.999 > 97 100 O 0.86468294393663 0.75000000000000 0.44595597498220 15.999 > 97 101 O 0.13530002511771 0.00000000000000 0.94594354680575 15.999 > 101 102 O 0.63530002511771 0.00000000000000 0.94594354680575 15.999 > 101 103 O 0.13530002511771 0.50000000000000 0.94594354680575 15.999 > 101 104 O 0.63530002511771 0.50000000000000 0.94594354680575 15.999 > 101 105 O 0.36469997488229 0.00000000000000 0.05405645319425 15.999 > 105 106 O 0.86469997488229 0.00000000000000 0.05405645319425 15.999 > 105 107 O 0.36469997488229 0.50000000000000 0.05405645319425 15.999 > 105 108 O 0.86469997488229 0.50000000000000 0.05405645319425 15.999 > 105 109 O 0.22485026676548 0.09116410957803 0.38604066786661 15.999 > 109 110 O 0.72485026676548 0.09116410957803 0.38604066786661 15.999 > 109 111 O 0.22485026676548 0.59116410957803 0.38604066786661 15.999 > 109 112 O 0.72485026676548 0.59116410957803 0.38604066786661 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3394356 0.0000000 -0.0001010 0.0000000 2.1150258 0.0000000 -0.0000996 0.0000000 2.5500047 -------------------------- Born effective charges -------------------------- 1 Ca 2.5513190 0.0000000 -0.1077908 -0.0000000 2.2425427 0.0000000 -0.2358617 0.0000000 2.6930447 2 Ca 2.5513190 0.0000000 -0.1077908 -0.0000000 2.2425427 0.0000000 -0.2358617 0.0000000 2.6930447 3 Ca 2.5512297 0.0000000 0.1073065 -0.0000000 2.2425043 0.0000000 0.2355086 0.0000000 2.6930744 4 Ca 2.5512297 0.0000000 0.1073065 -0.0000000 2.2425043 0.0000000 0.2355086 0.0000000 2.6930744 5 C 0.5277385 0.0000000 0.5749420 -0.0000000 1.2654562 0.0000000 0.6583327 0.0000000 2.7233585 6 C 0.5282973 0.0000000 -0.5757597 -0.0000000 1.2654769 0.0000000 -0.6592789 0.0000000 2.7228385 7 C 2.6668419 0.0000000 -0.9235160 -0.0000000 0.3050111 0.0000000 -0.6643960 0.0000000 1.4524896 8 C 0.5277385 0.0000000 0.5749420 -0.0000000 1.2654562 0.0000000 0.6583327 0.0000000 2.7233585 9 C 0.5282973 0.0000000 -0.5757597 -0.0000000 1.2654769 0.0000000 -0.6592789 0.0000000 2.7228385 10 C 2.6670624 0.0000000 0.9234731 -0.0000000 0.3050318 0.0000000 0.6643499 0.0000000 1.4523763 11 C 2.6668419 0.0000000 -0.9235160 -0.0000000 0.3050111 0.0000000 -0.6643960 0.0000000 1.4524896 12 C 2.6670624 0.0000000 0.9234731 -0.0000000 0.3050318 0.0000000 0.6643499 0.0000000 1.4523763 13 O -0.6393659 -0.1551672 -0.3630905 -0.0988648 -1.3600801 -0.2482129 -0.3939524 -0.5552830 -2.1737573 14 O -0.6393659 0.1551672 -0.3630905 0.0988648 -1.3600801 0.2482129 -0.3939524 0.5552830 -2.1737573 15 O -0.6393659 -0.1551672 -0.3630905 -0.0988648 -1.3600801 -0.2482129 -0.3939524 -0.5552830 -2.1737573 16 O -0.6396503 -0.1554135 0.3636569 -0.0988632 -1.3600730 0.2481800 0.3946142 0.5552979 -2.1734048 17 O -2.6738818 0.0000000 0.0124524 -0.0000000 -0.6069979 0.0000000 0.3889628 0.0000000 -1.0664064 18 O -0.6396503 0.1554135 0.3636569 0.0988632 -1.3600730 -0.2481800 0.3946142 -0.5552979 -2.1734048 19 O -1.7931773 0.0000000 0.9098957 -0.0000000 -0.4858641 0.0000000 0.4532250 0.0000000 -1.4550576 20 O -1.7932905 0.0000000 -0.9098742 -0.0000000 -0.4858614 0.0000000 -0.4532695 0.0000000 -1.4549914 21 O -0.6396503 -0.1554135 0.3636569 -0.0988632 -1.3600730 0.2481800 0.3946142 0.5552979 -2.1734048 22 O -0.6396503 0.1554135 0.3636569 0.0988632 -1.3600730 -0.2481800 0.3946142 -0.5552979 -2.1734048 23 O -1.7932905 0.0000000 -0.9098742 -0.0000000 -0.4858614 0.0000000 -0.4532695 0.0000000 -1.4549914 24 O -1.7931773 0.0000000 0.9098957 -0.0000000 -0.4858641 0.0000000 0.4532250 0.0000000 -1.4550576 25 O -2.6738818 0.0000000 0.0124524 -0.0000000 -0.6069979 0.0000000 0.3889628 0.0000000 -1.0664064 26 O -2.6741068 0.0000000 -0.0122616 -0.0000000 -0.6069933 0.0000000 -0.3888965 0.0000000 -1.0664024 27 O -2.6741068 0.0000000 -0.0122616 -0.0000000 -0.6069933 0.0000000 -0.3888965 0.0000000 -1.0664024 28 O -0.6393659 0.1551672 -0.3630905 0.0988648 -1.3600801 0.2482129 -0.3939524 0.5552830 -2.1737573 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000011 (yyy) 0.00000011 (yyy) 0.00000011 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 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: 0.55, Number of G-points: 311, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.660 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.996 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.135 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.530 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 0.000) 0.000 12.456 ( 0.000 0.000 0.000) 0.000 14.135 ( 0.000 0.000 0.000) 0.000 14.340 ( 0.000 0.000 0.000) 0.000 14.414 ( 0.000 0.000 0.000) 0.000 14.424 ( 0.000 0.000 0.000) 0.000 14.787 ( 0.000 0.000 0.000) 0.000 14.832 ( 0.000 0.000 0.000) 0.000 15.003 ( 0.000 0.000 0.000) 0.000 15.361 ( 0.000 0.000 0.000) 0.000 17.465 ( 0.000 0.000 0.000) 0.000 17.509 ( 0.000 0.000 0.000) 0.000 17.514 ( 0.000 0.000 0.000) 0.000 17.817 ( 0.000 0.000 0.000) 0.000 22.579 ( 0.000 0.000 0.000) 0.000 22.635 ( 0.000 0.000 0.000) 0.000 22.744 ( 0.000 0.000 0.000) 0.000 22.834 ( 0.000 0.000 0.000) 0.000 24.720 ( 0.000 0.000 0.000) 0.000 24.734 ( 0.000 0.000 0.000) 0.000 24.869 ( 0.000 0.000 0.000) 0.000 24.879 ( 0.000 0.000 0.000) 0.000 26.481 ( 0.000 0.000 0.000) 0.000 26.521 ( 0.000 0.000 0.000) 0.000 26.577 ( 0.000 0.000 0.000) 0.000 26.694 ( 0.000 0.000 0.000) 0.000 39.793 ( 0.000 0.000 0.000) 0.000 39.809 ( 0.000 0.000 0.000) 0.000 39.886 ( 0.000 0.000 0.000) 0.000 40.063 ( 0.000 0.000 0.000) 0.000 43.006 ( 0.000 0.000 0.000) 0.000 43.032 ( 0.000 0.000 0.000) 0.000 43.277 ( 0.000 0.000 0.000) 0.000 43.325 ( 0.000 0.000 0.000) 0.000 48.490 ( 0.000 0.000 0.000) 0.000 48.833 ( 0.000 0.000 0.000) 0.000 49.181 ( 0.000 0.000 0.000) 0.000 49.254 ( 0.000 0.000 0.000) 0.000 49.272 ( 0.000 0.000 0.000) 0.000 49.290 ( 0.000 0.000 0.000) 0.000 49.402 ( 0.000 0.000 0.000) 0.000 51.296 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.142 ( 6.872 0.000 -15.945) 17.363 0.483 ( 27.159 0.000 -3.963) 27.446 1.351 ( 60.148 0.000 -3.713) 60.262 1.886 ( 0.091 0.000 -0.141) 0.168 2.226 ( -12.217 0.000 0.650) 12.234 2.273 ( 34.758 0.000 1.726) 34.800 2.280 ( -4.285 0.000 -1.141) 4.434 2.524 ( 4.215 0.000 0.477) 4.242 2.772 ( -5.955 0.000 -1.473) 6.135 2.803 ( 14.409 0.000 -0.075) 14.410 2.916 ( 21.678 0.000 1.506) 21.730 3.066 ( -0.400 0.000 0.024) 0.401 3.883 ( -1.279 0.000 1.281) 1.811 4.144 ( 10.963 0.000 -0.723) 10.987 4.205 ( -0.730 0.000 -0.134) 0.742 4.458 ( 0.576 0.000 -0.244) 0.626 4.529 ( 2.631 0.000 0.559) 2.689 4.668 ( 9.687 0.000 -0.622) 9.707 4.760 ( -11.688 0.000 -0.858) 11.719 5.148 ( 0.802 0.000 0.178) 0.822 5.241 ( 2.242 0.000 -0.071) 2.243 5.548 ( 6.437 0.000 0.830) 6.490 5.814 ( -1.516 0.000 0.100) 1.519 5.867 ( -5.178 0.000 0.827) 5.243 5.926 ( -5.473 0.000 -0.047) 5.474 6.162 ( 0.129 0.000 -1.251) 1.257 6.378 ( 1.386 0.000 0.987) 1.701 6.379 ( -0.079 0.000 -0.817) 0.821 7.466 ( -2.945 0.000 0.791) 3.050 7.551 ( 1.451 0.000 -0.213) 1.467 7.659 ( -0.062 0.000 0.517) 0.521 7.678 ( 7.671 0.000 -1.691) 7.855 7.850 ( -0.066 0.000 -0.802) 0.804 7.952 ( -0.052 0.000 0.459) 0.462 7.958 ( -5.490 0.000 -0.177) 5.492 8.137 ( 1.423 0.000 -3.901) 4.152 8.157 ( 1.673 0.000 5.542) 5.789 8.887 ( -8.850 0.000 0.731) 8.880 9.126 ( 2.398 0.000 -0.306) 2.418 10.929 ( -12.642 0.000 0.019) 12.642 11.310 ( 1.628 0.000 -0.238) 1.645 11.526 ( -2.869 0.000 -0.033) 2.869 11.960 ( -1.382 0.000 -0.002) 1.382 12.408 ( -4.472 0.000 -0.008) 4.472 14.134 ( -0.077 0.000 -0.012) 0.078 14.335 ( -0.443 0.000 0.012) 0.444 14.439 ( 2.286 0.000 0.174) 2.293 14.445 ( 1.834 0.000 -0.154) 1.840 14.802 ( 1.406 0.000 0.071) 1.408 15.004 ( 0.149 0.000 -0.094) 0.176 15.201 ( -0.377 0.000 -0.039) 0.379 15.350 ( -1.096 0.000 0.045) 1.097 17.465 ( 0.004 0.000 -0.104) 0.104 17.510 ( 0.269 0.000 0.872) 0.913 17.529 ( 1.384 0.000 -0.842) 1.620 17.817 ( -0.017 0.000 0.111) 0.112 22.596 ( 1.562 0.000 -0.070) 1.564 22.634 ( -0.094 0.000 0.037) 0.101 22.832 ( -0.213 0.000 -0.036) 0.216 22.868 ( 1.372 0.000 -0.011) 1.372 24.722 ( 0.155 0.000 -0.007) 0.155 24.737 ( 0.273 0.000 0.006) 0.273 24.868 ( -0.085 0.000 0.000) 0.085 24.878 ( -0.111 0.000 0.000) 0.111 26.482 ( 0.040 0.000 0.843) 0.843 26.523 ( 0.168 0.000 -0.822) 0.839 26.567 ( -0.801 0.000 0.754) 1.100 26.695 ( 0.080 0.000 -0.684) 0.689 39.792 ( -0.093 0.000 -0.016) 0.095 39.833 ( 2.127 0.000 -0.182) 2.135 40.061 ( -0.222 0.000 0.016) 0.223 40.203 ( -0.381 0.000 0.164) 0.415 42.995 ( -0.946 0.000 0.313) 0.997 43.028 ( -0.362 0.000 -0.346) 0.501 43.275 ( -0.201 0.000 0.307) 0.367 43.322 ( -0.273 0.000 -0.311) 0.414 48.490 ( 0.008 0.000 -0.013) 0.016 48.836 ( 0.226 0.000 -0.404) 0.463 49.148 ( -3.245 0.000 -0.752) 3.331 49.180 ( -0.136 0.000 0.013) 0.136 49.355 ( -4.282 0.000 0.327) 4.294 49.487 ( 13.453 0.000 0.616) 13.467 50.909 ( 3.580 0.000 0.427) 3.605 51.739 ( -0.441 0.000 -0.222) 0.494 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 5.896 0.000 -12.739) 14.037 1.113 ( 34.567 0.000 -0.992) 34.581 1.858 ( -3.097 0.000 -0.471) 3.132 2.007 ( -9.238 0.000 0.199) 9.241 2.246 ( 1.174 0.000 -0.239) 1.199 2.308 ( 32.988 0.000 -2.343) 33.071 2.584 ( 4.359 0.000 1.297) 4.548 2.585 ( 1.659 0.000 0.342) 1.694 2.695 ( -0.180 0.000 -1.779) 1.789 2.998 ( 1.159 0.000 -0.053) 1.160 3.149 ( 12.183 0.000 0.095) 12.183 3.732 ( 37.133 0.000 0.538) 37.137 3.853 ( -1.580 0.000 1.990) 2.541 4.173 ( -2.719 0.000 -0.479) 2.761 4.461 ( 1.319 0.000 -10.730) 10.811 4.470 ( 0.579 0.000 -0.311) 0.657 4.498 ( 14.169 0.000 7.811) 16.179 4.622 ( 2.110 0.000 2.251) 3.085 4.901 ( 13.538 0.000 -1.099) 13.583 5.172 ( 1.605 0.000 0.305) 1.633 5.304 ( 3.839 0.000 -0.064) 3.840 5.690 ( 5.725 0.000 1.523) 5.924 5.698 ( -8.734 0.000 0.992) 8.790 5.770 ( -2.771 0.000 0.571) 2.829 5.793 ( -6.950 0.000 -0.815) 6.998 6.171 ( 0.714 0.000 -1.261) 1.449 6.398 ( 0.403 0.000 1.178) 1.245 6.399 ( 1.175 0.000 -1.423) 1.845 7.428 ( 0.063 0.000 0.449) 0.454 7.589 ( 2.134 0.000 -0.403) 2.172 7.658 ( -0.087 0.000 0.733) 0.738 7.781 ( -4.310 0.000 -0.246) 4.317 7.847 ( -0.235 0.000 -1.160) 1.184 7.950 ( -0.090 0.000 0.750) 0.756 7.968 ( 13.878 0.000 -3.293) 14.264 8.164 ( 1.751 0.000 -2.446) 3.008 8.200 ( 2.616 0.000 6.205) 6.733 8.667 ( -12.218 0.000 0.877) 12.249 9.138 ( -1.718 0.000 -0.098) 1.721 10.537 ( -25.955 0.000 -0.384) 25.958 11.352 ( 2.302 0.000 -0.101) 2.304 11.467 ( -2.519 0.000 0.072) 2.520 11.929 ( -1.497 0.000 -0.020) 1.497 12.292 ( -6.414 0.000 0.041) 6.414 14.132 ( -0.107 0.000 -0.017) 0.109 14.324 ( -0.603 0.000 0.017) 0.604 14.488 ( 2.148 0.000 -0.150) 2.153 14.493 ( 2.710 0.000 0.162) 2.715 14.839 ( 2.012 0.000 0.104) 2.015 15.008 ( 0.238 0.000 -0.140) 0.276 15.192 ( -0.494 0.000 -0.058) 0.498 15.319 ( -1.814 0.000 0.043) 1.814 17.465 ( 0.005 0.000 -0.147) 0.147 17.523 ( 0.976 0.000 1.171) 1.525 17.563 ( 1.821 0.000 -1.123) 2.139 17.817 ( -0.026 0.000 0.157) 0.159 22.631 ( -0.130 0.000 0.053) 0.141 22.636 ( 2.209 0.000 -0.067) 2.210 22.826 ( -0.289 0.000 -0.051) 0.293 22.903 ( 1.917 0.000 -0.024) 1.917 24.726 ( 0.224 0.000 -0.009) 0.224 24.744 ( 0.394 0.000 0.008) 0.394 24.866 ( -0.126 0.000 0.000) 0.126 24.875 ( -0.171 0.000 -0.000) 0.171 26.481 ( -0.107 0.000 1.196) 1.201 26.528 ( 0.242 0.000 -1.273) 1.296 26.553 ( -0.484 0.000 1.152) 1.249 26.696 ( 0.049 0.000 -0.969) 0.970 39.789 ( -0.132 0.000 -0.023) 0.134 39.882 ( 2.395 0.000 -0.243) 2.407 40.055 ( -0.301 0.000 0.022) 0.302 40.192 ( -0.574 0.000 0.225) 0.617 42.974 ( -1.051 0.000 0.450) 1.143 43.019 ( -0.524 0.000 -0.487) 0.715 43.270 ( -0.217 0.000 0.434) 0.485 43.315 ( -0.361 0.000 -0.441) 0.570 48.490 ( 0.012 0.000 -0.019) 0.022 48.840 ( 0.208 0.000 -0.526) 0.565 49.116 ( -0.326 0.000 -0.649) 0.727 49.177 ( -0.194 0.000 0.019) 0.195 49.250 ( -5.478 0.000 0.422) 5.494 49.779 ( 14.444 0.000 0.503) 14.453 50.998 ( 4.796 0.000 0.516) 4.824 51.728 ( -0.639 0.000 -0.260) 0.690 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 3.625 0.000 -7.250) 8.106 1.784 ( -3.352 0.000 -0.315) 3.367 1.822 ( 32.930 0.000 0.970) 32.944 1.862 ( -4.985 0.000 0.068) 4.985 2.303 ( 3.484 0.000 0.005) 3.484 2.593 ( -0.580 0.000 0.235) 0.625 2.647 ( 3.765 0.000 1.180) 3.946 2.726 ( 10.960 0.000 -3.365) 11.465 2.769 ( 6.007 0.000 0.122) 6.008 2.987 ( -0.909 0.000 -0.037) 0.910 3.409 ( 11.484 0.000 0.022) 11.484 3.672 ( -25.271 0.000 -2.133) 25.361 3.826 ( -0.974 0.000 1.952) 2.182 4.094 ( -4.745 0.000 -0.880) 4.826 4.479 ( 0.280 0.000 -0.202) 0.345 4.638 ( 1.775 0.000 -1.538) 2.349 4.748 ( 4.242 0.000 1.627) 4.544 4.967 ( 31.375 0.000 2.151) 31.449 5.140 ( 3.157 0.000 -1.633) 3.555 5.209 ( 1.770 0.000 0.299) 1.795 5.385 ( 3.750 0.000 -0.040) 3.750 5.667 ( -4.969 0.000 -0.258) 4.976 5.681 ( 14.357 0.000 1.621) 14.448 5.709 ( -2.942 0.000 -0.002) 2.942 5.798 ( 3.297 0.000 0.086) 3.298 6.187 ( 0.753 0.000 -0.879) 1.157 6.369 ( -5.282 0.000 -0.987) 5.373 6.396 ( -0.357 0.000 0.867) 0.937 7.479 ( 4.506 0.000 -0.212) 4.511 7.629 ( 1.622 0.000 -0.453) 1.684 7.656 ( -0.059 0.000 0.618) 0.621 7.677 ( -4.156 0.000 -0.285) 4.166 7.841 ( -0.319 0.000 -0.841) 0.899 7.948 ( -0.079 0.000 0.603) 0.608 8.152 ( 1.234 0.000 0.843) 1.495 8.253 ( 2.742 0.000 -1.371) 3.066 8.427 ( -5.430 0.000 7.027) 8.881 8.458 ( 23.868 0.000 -4.916) 24.369 9.056 ( -5.688 0.000 -0.268) 5.694 9.904 ( -35.686 0.000 -0.211) 35.686 11.396 ( 1.818 0.000 -0.007) 1.818 11.432 ( -0.935 0.000 0.063) 0.937 11.903 ( -0.955 0.000 -0.025) 0.955 12.172 ( -4.851 0.000 0.049) 4.851 14.130 ( -0.075 0.000 -0.012) 0.076 14.313 ( -0.410 0.000 0.012) 0.411 14.524 ( 1.271 0.000 -0.101) 1.275 14.539 ( 1.639 0.000 0.100) 1.642 14.875 ( 1.429 0.000 0.085) 1.431 15.013 ( 0.174 0.000 -0.104) 0.203 15.183 ( -0.318 0.000 -0.042) 0.321 15.284 ( -1.472 0.000 0.016) 1.472 17.465 ( 0.004 0.000 -0.104) 0.104 17.546 ( 1.075 0.000 0.811) 1.347 17.595 ( 1.193 0.000 -0.777) 1.424 17.816 ( -0.020 0.000 0.111) 0.113 22.629 ( -0.090 0.000 0.037) 0.098 22.676 ( 1.566 0.000 -0.030) 1.567 22.821 ( -0.195 0.000 -0.036) 0.198 22.938 ( 1.340 0.000 -0.017) 1.340 24.730 ( 0.163 0.000 -0.006) 0.163 24.751 ( 0.287 0.000 0.006) 0.287 24.863 ( -0.094 0.000 0.000) 0.094 24.872 ( -0.133 0.000 -0.000) 0.133 26.481 ( 0.043 0.000 0.828) 0.829 26.532 ( 0.186 0.000 -1.021) 1.038 26.547 ( -0.153 0.000 0.937) 0.949 26.697 ( -0.022 0.000 -0.685) 0.685 39.787 ( -0.093 0.000 -0.016) 0.095 39.920 ( 1.309 0.000 -0.170) 1.320 40.050 ( -0.204 0.000 0.016) 0.205 40.182 ( -0.430 0.000 0.159) 0.459 42.957 ( -0.566 0.000 0.322) 0.651 43.009 ( -0.377 0.000 -0.343) 0.510 43.267 ( -0.109 0.000 0.307) 0.326 43.309 ( -0.238 0.000 -0.313) 0.393 48.490 ( 0.008 0.000 -0.013) 0.016 48.844 ( 0.111 0.000 -0.367) 0.383 49.120 ( 0.437 0.000 -0.371) 0.574 49.155 ( -3.539 0.000 0.295) 3.552 49.173 ( -0.138 0.000 0.013) 0.139 50.029 ( 9.295 0.000 0.285) 9.300 51.084 ( 3.307 0.000 0.353) 3.325 51.716 ( -0.501 0.000 -0.188) 0.535 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 -0.000) 0.000 2.582 ( 0.000 0.000 -0.000) 0.000 2.760 ( -0.000 0.000 -0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.839 ( -0.000 0.000 -0.000) 0.000 2.976 ( 0.000 0.000 -0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 -0.000) 0.000 4.482 ( 0.000 0.000 -0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.760 ( -0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 -0.000) 0.000 5.230 ( 0.000 0.000 -0.000) 0.000 5.324 ( 0.000 0.000 -0.000) 0.000 5.430 ( 0.000 0.000 -0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 -0.000) 0.000 5.819 ( 0.000 0.000 -0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 -0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 -0.000) 0.000 7.634 ( 0.000 0.000 -0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 -0.000) 0.000 7.837 ( 0.000 0.000 -0.000) 0.000 7.948 ( 0.000 0.000 -0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.978 ( 0.000 0.000 -0.000) 0.000 9.073 ( 0.000 0.000 -0.000) 0.000 9.211 ( -0.000 0.000 0.000) 0.000 11.416 ( 0.000 0.000 -0.000) 0.000 11.424 ( 0.000 0.000 0.000) 0.000 11.893 ( 0.000 0.000 0.000) 0.000 12.119 ( 0.000 0.000 -0.000) 0.000 14.129 ( 0.000 0.000 -0.000) 0.000 14.309 ( 0.000 0.000 -0.000) 0.000 14.537 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 0.000 -0.000) 0.000 14.890 ( 0.000 0.000 -0.000) 0.000 15.015 ( 0.000 0.000 -0.000) 0.000 15.180 ( 0.000 0.000 0.000) 0.000 15.268 ( 0.000 0.000 -0.000) 0.000 17.465 ( 0.000 0.000 0.000) 0.000 17.558 ( 0.000 0.000 0.000) 0.000 17.608 ( 0.000 0.000 0.000) 0.000 17.816 ( 0.000 0.000 -0.000) 0.000 22.628 ( 0.000 0.000 -0.000) 0.000 22.693 ( 0.000 0.000 0.000) 0.000 22.819 ( 0.000 0.000 0.000) 0.000 22.952 ( 0.000 0.000 -0.000) 0.000 24.732 ( 0.000 0.000 0.000) 0.000 24.754 ( 0.000 0.000 -0.000) 0.000 24.862 ( 0.000 0.000 0.000) 0.000 24.870 ( 0.000 0.000 0.000) 0.000 26.482 ( 0.000 0.000 0.000) 0.000 26.534 ( 0.000 0.000 -0.000) 0.000 26.546 ( 0.000 0.000 0.000) 0.000 26.696 ( 0.000 0.000 -0.000) 0.000 39.786 ( 0.000 0.000 -0.000) 0.000 39.933 ( 0.000 0.000 -0.000) 0.000 40.048 ( 0.000 0.000 0.000) 0.000 40.177 ( 0.000 0.000 0.000) 0.000 42.951 ( 0.000 0.000 -0.000) 0.000 43.005 ( 0.000 0.000 0.000) 0.000 43.266 ( 0.000 0.000 -0.000) 0.000 43.306 ( 0.000 0.000 0.000) 0.000 48.490 ( 0.000 0.000 0.000) 0.000 48.845 ( 0.000 0.000 0.000) 0.000 49.118 ( 0.000 0.000 0.000) 0.000 49.126 ( 0.000 0.000 -0.000) 0.000 49.172 ( 0.000 0.000 -0.000) 0.000 50.126 ( 0.000 0.000 0.000) 0.000 51.119 ( 0.000 0.000 0.000) 0.000 51.710 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( 0.000 10.460 0.000) 10.460 0.706 ( 0.000 34.979 0.000) 34.979 1.277 ( 0.000 57.978 0.000) 57.978 1.647 ( 0.000 -7.960 0.000) 7.960 1.930 ( 0.000 4.532 0.000) 4.532 2.286 ( 0.000 -12.975 0.000) 12.975 2.350 ( 0.000 -0.615 0.000) 0.615 2.470 ( 0.000 1.130 0.000) 1.130 2.787 ( 0.000 15.557 0.000) 15.557 2.792 ( 0.000 -5.807 0.000) 5.807 2.998 ( 0.000 -1.288 0.000) 1.288 3.181 ( 0.000 21.873 0.000) 21.873 3.979 ( 0.000 7.936 0.000) 7.936 4.033 ( 0.000 12.041 0.000) 12.041 4.295 ( 0.000 7.983 0.000) 7.983 4.469 ( 0.000 0.083 0.000) 0.083 4.491 ( 0.000 -0.345 0.000) 0.345 4.569 ( 0.000 1.505 0.000) 1.505 4.942 ( 0.000 5.150 0.000) 5.150 5.064 ( 0.000 -6.279 0.000) 6.279 5.355 ( 0.000 -0.625 0.000) 0.625 5.546 ( 0.000 6.178 0.000) 6.178 5.768 ( 0.000 -6.001 0.000) 6.001 5.901 ( 0.000 -8.715 0.000) 8.715 5.906 ( 0.000 -0.626 0.000) 0.626 6.208 ( 0.000 3.782 0.000) 3.782 6.249 ( 0.000 -10.809 0.000) 10.809 6.286 ( 0.000 -8.484 0.000) 8.484 7.344 ( 0.000 -13.134 0.000) 13.134 7.571 ( 0.000 1.624 0.000) 1.624 7.586 ( 0.000 -1.238 0.000) 1.238 7.833 ( 0.000 -1.689 0.000) 1.689 7.837 ( 0.000 -6.684 0.000) 6.684 8.066 ( 0.000 -4.578 0.000) 4.578 8.117 ( 0.000 4.820 0.000) 4.820 8.151 ( 0.000 1.169 0.000) 1.169 8.976 ( 0.000 -2.118 0.000) 2.118 9.083 ( 0.000 0.352 0.000) 0.352 9.132 ( 0.000 -0.209 0.000) 0.209 9.228 ( 0.000 -6.711 0.000) 6.711 11.320 ( 0.000 2.666 0.000) 2.666 11.561 ( 0.000 2.608 0.000) 2.608 11.968 ( 0.000 -0.201 0.000) 0.201 12.431 ( 0.000 -2.579 0.000) 2.579 14.341 ( 0.000 0.095 0.000) 0.095 14.413 ( 0.000 -0.944 0.000) 0.944 14.420 ( 0.000 0.605 0.000) 0.605 14.442 ( 0.000 0.266 0.000) 0.266 14.791 ( 0.000 0.394 0.000) 0.394 14.831 ( 0.000 -0.071 0.000) 0.071 15.039 ( 0.000 3.502 0.000) 3.502 15.353 ( 0.000 -0.798 0.000) 0.798 17.498 ( 0.000 3.225 0.000) 3.225 17.506 ( 0.000 -0.245 0.000) 0.245 17.511 ( 0.000 -0.239 0.000) 0.239 17.809 ( 0.000 -0.901 0.000) 0.901 22.586 ( 0.000 0.720 0.000) 0.720 22.734 ( 0.000 -0.968 0.000) 0.968 22.855 ( 0.000 2.069 0.000) 2.069 23.000 ( 0.000 -0.029 0.000) 0.029 24.724 ( 0.000 0.319 0.000) 0.319 24.736 ( 0.000 0.166 0.000) 0.166 24.868 ( 0.000 -0.095 0.000) 0.095 24.877 ( 0.000 -0.203 0.000) 0.203 26.485 ( 0.000 0.324 0.000) 0.324 26.520 ( 0.000 -0.110 0.000) 0.110 26.573 ( 0.000 -0.360 0.000) 0.360 26.682 ( 0.000 -1.202 0.000) 1.202 39.812 ( 0.000 0.346 0.000) 0.346 39.882 ( 0.000 -0.424 0.000) 0.424 40.088 ( 0.000 2.418 0.000) 2.418 40.396 ( 0.000 -1.045 0.000) 1.045 43.008 ( 0.000 0.224 0.000) 0.224 43.032 ( 0.000 -0.032 0.000) 0.032 43.277 ( 0.000 0.054 0.000) 0.054 43.321 ( 0.000 -0.396 0.000) 0.396 48.504 ( 0.000 1.385 0.000) 1.385 48.796 ( 0.000 -3.281 0.000) 3.281 49.131 ( 0.000 -1.689 0.000) 1.689 49.253 ( 0.000 -0.080 0.000) 0.080 49.278 ( 0.000 -1.243 0.000) 1.243 49.386 ( 0.000 -1.528 0.000) 1.528 49.443 ( 0.000 13.437 0.000) 13.437 51.196 ( 0.000 -10.027 0.000) 10.027 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 15.047 28.895 0.098) 32.578 1.200 ( 20.388 32.178 0.143) 38.094 1.437 ( 38.730 25.387 -5.233) 46.604 1.949 ( 2.611 6.019 -0.282) 6.567 2.120 ( -6.785 -10.622 -0.236) 12.606 2.271 ( 39.331 -0.639 1.548) 39.367 2.322 ( -1.873 2.742 -0.384) 3.343 2.610 ( 11.592 -5.800 0.247) 12.964 2.687 ( -3.741 13.666 0.273) 14.172 2.737 ( -3.649 -0.427 0.194) 3.679 3.002 ( 0.194 -3.501 0.106) 3.508 3.302 ( 14.018 22.470 -0.308) 26.486 3.996 ( -1.178 10.878 1.377) 11.028 4.175 ( 12.903 5.206 -1.218) 13.967 4.290 ( -0.557 8.055 0.055) 8.075 4.468 ( 0.308 0.632 -0.294) 0.762 4.526 ( 2.841 -0.249 0.745) 2.948 4.671 ( 9.263 0.898 -0.647) 9.329 4.789 ( -12.332 2.921 -0.993) 12.712 5.107 ( 2.263 -3.044 0.167) 3.797 5.303 ( -1.606 2.530 0.056) 2.997 5.606 ( 5.271 5.024 0.899) 7.337 5.766 ( -0.515 -4.839 -0.063) 4.866 5.840 ( -5.703 -2.078 0.746) 6.115 5.863 ( -3.990 -6.845 -0.030) 7.923 6.121 ( -4.198 -6.020 -1.337) 7.460 6.299 ( 0.662 -8.094 -1.400) 8.241 6.319 ( 3.043 -4.152 1.677) 5.414 7.364 ( 2.052 -11.451 0.875) 11.667 7.534 ( -3.104 0.537 0.297) 3.164 7.634 ( 2.925 -2.437 -0.999) 3.936 7.814 ( -6.402 -4.519 -0.205) 7.839 7.832 ( -0.131 -1.636 -0.502) 1.716 7.874 ( -8.645 1.999 -0.025) 8.873 8.090 ( -4.055 9.850 0.812) 10.682 8.171 ( 1.729 1.353 -0.756) 2.323 8.209 ( -3.762 8.501 1.013) 9.351 8.870 ( -8.199 -1.865 0.637) 8.432 9.147 ( 3.738 2.191 -0.138) 4.335 10.463 ( 20.495 -32.663 -0.149) 38.561 11.334 ( 1.337 2.368 -0.105) 2.721 11.543 ( -2.164 1.865 0.008) 2.857 11.959 ( -0.788 0.320 -0.009) 0.850 12.386 ( -4.141 -2.232 -0.020) 4.704 14.226 ( -7.493 5.716 -0.043) 9.425 14.333 ( -0.835 -0.238 0.005) 0.868 14.441 ( 2.001 0.175 0.113) 2.012 14.442 ( 1.786 -0.219 -0.091) 1.801 14.809 ( 1.666 0.716 0.056) 1.814 14.998 ( 2.873 -2.891 0.073) 4.076 15.084 ( 4.644 -3.230 -0.168) 5.659 15.343 ( -1.036 -0.748 0.066) 1.280 17.478 ( -1.077 0.803 -0.291) 1.374 17.507 ( 0.197 -0.319 0.725) 0.816 17.540 ( 2.189 1.820 -0.509) 2.892 17.810 ( 0.136 -0.745 0.099) 0.764 22.600 ( 1.327 0.512 -0.044) 1.423 22.692 ( -2.996 2.106 0.034) 3.662 22.851 ( -0.347 1.889 -0.036) 1.921 22.909 ( -2.231 3.109 0.002) 3.826 24.725 ( 0.136 0.302 -0.007) 0.331 24.738 ( 0.245 0.138 0.005) 0.281 24.868 ( -0.021 -0.012 0.002) 0.024 24.876 ( -0.073 -0.163 -0.001) 0.179 26.485 ( -0.000 0.265 0.748) 0.794 26.512 ( -0.150 -0.638 -0.757) 1.002 26.564 ( -0.676 -0.224 0.667) 0.976 26.683 ( 0.059 -1.222 -0.619) 1.371 39.825 ( 1.081 -0.551 0.110) 1.218 39.826 ( -2.771 1.428 -0.207) 3.125 40.091 ( 0.362 2.909 0.007) 2.931 40.279 ( -4.387 4.760 0.080) 6.474 42.998 ( -0.940 0.224 0.283) 1.007 43.020 ( -0.578 -0.520 -0.287) 0.828 43.275 ( -0.180 0.073 0.275) 0.336 43.317 ( -0.289 -0.442 -0.288) 0.602 48.504 ( 0.001 1.379 -0.009) 1.379 48.798 ( 0.134 -3.318 -0.313) 3.335 49.154 ( -0.349 1.134 -0.639) 1.348 49.207 ( -0.064 1.704 0.093) 1.707 49.340 ( -4.228 -1.492 0.246) 4.491 49.576 ( 10.795 9.164 0.444) 14.167 50.334 ( 43.375 -43.108 0.203) 61.153 51.310 ( 9.489 -19.096 -0.021) 21.323 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 22.444 28.230 5.072) 36.420 1.342 ( 11.634 42.273 -6.144) 44.273 1.858 ( -1.797 5.594 -1.660) 6.106 1.933 ( -8.422 -6.488 -0.267) 10.635 2.280 ( 5.734 4.374 -0.637) 7.240 2.389 ( 22.224 7.314 -0.892) 23.414 2.633 ( 4.610 3.758 5.677) 8.222 2.655 ( 1.574 3.230 -5.955) 6.954 2.728 ( 4.047 8.394 0.116) 9.319 2.969 ( 1.587 -3.003 -0.043) 3.397 3.128 ( 19.242 -1.834 0.634) 19.339 3.823 ( 26.847 8.607 -0.279) 28.194 3.961 ( -1.953 10.668 2.214) 11.069 4.266 ( -1.387 8.916 -0.511) 9.038 4.452 ( 4.120 -0.041 -2.963) 5.075 4.503 ( -3.414 3.719 -2.320) 5.556 4.548 ( 14.806 4.295 -0.424) 15.422 4.617 ( 1.692 -0.397 4.393) 4.724 4.900 ( 13.509 0.214 -1.045) 13.551 5.148 ( 1.984 -2.081 0.392) 2.902 5.310 ( 1.655 -0.639 0.007) 1.774 5.658 ( -9.852 -3.972 1.407) 10.716 5.713 ( 1.193 -0.122 1.448) 1.880 5.758 ( -2.274 -1.931 -2.025) 3.605 5.764 ( -0.576 -0.344 1.336) 1.495 6.071 ( -0.869 -10.655 -1.129) 10.750 6.327 ( 1.606 -7.040 -1.522) 7.379 6.357 ( 0.866 -3.893 0.950) 4.100 7.434 ( 5.048 -4.798 1.047) 7.043 7.470 ( -2.803 -5.476 0.271) 6.157 7.564 ( -6.238 -7.420 -0.710) 9.720 7.767 ( 0.455 -2.403 0.129) 2.449 7.829 ( -0.121 -1.512 -2.023) 2.529 7.883 ( 1.905 -3.889 -0.034) 4.331 8.104 ( 8.145 9.787 -0.794) 12.757 8.208 ( 2.026 3.108 -6.961) 7.888 8.221 ( 2.705 2.342 9.435) 10.090 8.677 ( -10.436 0.499 0.919) 10.488 9.186 ( -0.474 4.945 0.062) 4.968 10.421 ( -17.501 -11.030 -0.325) 20.690 11.367 ( 1.746 1.496 -0.076) 2.301 11.481 ( -3.248 1.198 0.053) 3.462 11.942 ( -0.871 1.437 -0.026) 1.681 12.280 ( -5.852 -1.303 0.020) 5.995 14.146 ( -1.803 1.279 -0.022) 2.210 14.310 ( -1.204 -1.326 0.016) 1.791 14.485 ( 2.142 -0.280 -0.151) 2.165 14.491 ( 2.598 -0.198 0.157) 2.611 14.850 ( 2.165 1.161 0.076) 2.458 15.018 ( 0.382 0.831 -0.050) 0.916 15.143 ( 1.303 -3.818 -0.106) 4.035 15.314 ( -1.693 -0.587 0.075) 1.793 17.463 ( -0.440 -0.134 -0.366) 0.588 17.517 ( 0.817 -0.557 0.996) 1.403 17.587 ( 2.304 2.419 -0.743) 3.422 17.814 ( 0.232 -0.329 0.150) 0.430 22.633 ( 1.649 -0.222 -0.041) 1.664 22.648 ( -1.432 1.186 0.040) 1.860 22.845 ( -0.215 1.730 -0.052) 1.744 22.911 ( 1.356 0.783 -0.010) 1.566 24.729 ( 0.193 0.252 -0.010) 0.317 24.745 ( 0.347 0.061 0.007) 0.352 24.867 ( -0.084 0.108 0.001) 0.137 24.874 ( -0.114 -0.065 -0.001) 0.132 26.484 ( -0.097 0.207 1.075) 1.099 26.516 ( 0.388 -0.966 -1.113) 1.524 26.553 ( -0.370 0.034 0.985) 1.053 26.684 ( 0.031 -1.259 -0.875) 1.534 39.791 ( -1.008 -0.038 0.026) 1.009 39.849 ( 0.980 -2.607 -0.191) 2.792 40.101 ( 0.568 3.923 -0.009) 3.964 40.227 ( -1.531 3.022 0.169) 3.392 42.976 ( -1.029 0.249 0.407) 1.134 43.010 ( -0.409 -0.736 -0.430) 0.945 43.272 ( -0.177 0.131 0.390) 0.448 43.310 ( -0.328 -0.434 -0.407) 0.679 48.504 ( -0.002 1.358 -0.013) 1.358 48.801 ( 0.160 -3.422 -0.414) 3.451 49.100 ( -2.833 -0.284 -0.456) 2.883 49.236 ( -5.382 -1.339 0.388) 5.560 49.274 ( 4.033 7.778 -0.161) 8.763 49.827 ( 12.969 5.162 0.434) 13.966 50.810 ( 12.218 -18.793 0.415) 22.420 51.473 ( 5.498 -20.816 -0.187) 21.531 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 5.469 55.724 -0.764) 55.996 1.766 ( -5.666 6.288 -0.473) 8.477 1.785 ( -3.230 -5.589 0.088) 6.456 1.973 ( 30.000 13.114 -0.105) 32.742 2.346 ( 3.282 4.377 -0.006) 5.471 2.580 ( 0.481 1.690 0.304) 1.783 2.714 ( 4.742 5.540 2.974) 7.876 2.768 ( 8.093 2.128 -4.126) 9.330 2.909 ( 8.732 13.573 0.082) 16.140 2.963 ( -0.630 -2.471 -0.148) 2.555 3.430 ( 10.517 2.182 -0.042) 10.741 3.694 ( -25.554 2.418 -1.834) 25.733 3.917 ( -2.048 9.011 1.684) 9.393 4.206 ( -3.841 11.012 -0.853) 11.694 4.480 ( 0.718 0.163 -0.251) 0.778 4.633 ( 1.478 -0.454 -1.173) 1.941 4.755 ( 2.203 0.596 1.324) 2.638 4.969 ( 28.952 0.064 1.671) 29.000 5.135 ( 3.054 -0.317 -1.347) 3.353 5.190 ( 2.003 -1.805 0.432) 2.731 5.350 ( 1.804 -4.116 -0.084) 4.495 5.621 ( 2.440 -3.991 1.074) 4.800 5.627 ( 3.702 -3.721 -0.112) 5.250 5.765 ( 4.385 3.291 0.228) 5.487 5.823 ( 2.011 1.748 -0.071) 2.665 6.071 ( 0.447 -11.417 -0.647) 11.444 6.310 ( -4.585 -5.595 -0.832) 7.281 6.364 ( 0.077 -3.636 0.472) 3.667 7.416 ( -2.175 -8.725 0.129) 8.993 7.458 ( -3.890 -11.728 -0.573) 12.369 7.579 ( 8.364 -1.572 0.223) 8.513 7.768 ( 0.014 1.374 0.539) 1.476 7.828 ( -0.050 -1.127 -1.243) 1.679 7.886 ( -0.556 -4.381 0.592) 4.456 8.206 ( 0.985 3.907 0.508) 4.061 8.266 ( 1.942 1.014 -0.688) 2.296 8.477 ( -7.330 4.346 3.441) 9.190 8.513 ( 25.521 4.995 -2.108) 26.091 9.125 ( -4.793 6.950 -0.085) 8.443 9.898 ( -32.053 -0.818 -0.153) 32.064 11.399 ( 1.236 0.278 -0.004) 1.267 11.432 ( -1.526 -0.101 0.050) 1.531 11.927 ( -0.563 2.339 -0.025) 2.406 12.172 ( -4.307 -0.130 0.033) 4.309 14.125 ( -0.507 -0.427 -0.012) 0.663 14.289 ( -0.776 -2.311 0.013) 2.438 14.521 ( 1.276 -0.274 -0.095) 1.308 14.536 ( 1.615 -0.319 0.090) 1.649 14.888 ( 1.431 1.293 0.059) 1.930 15.023 ( 0.206 1.165 -0.056) 1.184 15.155 ( 0.232 -2.569 -0.059) 2.580 15.281 ( -1.348 -0.349 0.040) 1.393 17.458 ( -0.125 -0.478 -0.229) 0.545 17.536 ( 0.904 -0.897 0.689) 1.448 17.626 ( 1.410 2.850 -0.550) 3.227 17.819 ( 0.212 0.170 0.118) 0.296 22.629 ( -0.574 -0.082 0.030) 0.581 22.660 ( 0.924 -1.354 -0.017) 1.640 22.844 ( 0.125 2.032 -0.037) 2.036 22.941 ( 1.240 0.258 -0.009) 1.266 24.732 ( 0.139 0.195 -0.007) 0.240 24.751 ( 0.247 -0.030 0.005) 0.249 24.865 ( -0.068 0.186 0.001) 0.198 24.872 ( -0.090 0.038 -0.000) 0.098 26.483 ( 0.089 0.277 0.740) 0.795 26.524 ( 0.351 -0.736 -0.833) 1.165 26.549 ( -0.109 0.177 0.755) 0.783 26.684 ( -0.031 -1.283 -0.619) 1.425 39.777 ( -0.392 -0.934 0.007) 1.013 39.862 ( 0.373 -4.231 -0.118) 4.249 40.111 ( 0.368 4.592 -0.020) 4.607 40.205 ( -0.741 2.172 0.128) 2.299 42.960 ( -0.544 0.297 0.292) 0.685 43.003 ( -0.259 -0.556 -0.307) 0.685 43.269 ( -0.076 0.203 0.276) 0.351 43.305 ( -0.207 -0.373 -0.288) 0.515 48.503 ( -0.005 1.329 -0.009) 1.329 48.804 ( 0.091 -3.568 -0.288) 3.581 49.057 ( -1.404 -2.063 -0.235) 2.506 49.143 ( -3.468 -1.168 0.264) 3.669 49.341 ( 2.379 12.165 -0.133) 12.397 50.056 ( 8.715 3.039 0.259) 9.233 50.975 ( 5.076 -10.941 0.316) 12.066 51.541 ( 1.684 -16.577 -0.169) 16.663 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 69.072 -0.000) 69.072 1.685 ( -0.000 -5.540 -0.000) 5.540 1.741 ( 0.000 -5.940 0.000) 5.940 2.355 ( 0.000 12.087 -0.000) 12.087 2.387 ( 0.000 4.089 0.000) 4.089 2.574 ( -0.000 0.543 0.000) 0.543 2.873 ( 0.000 4.044 -0.000) 4.044 2.876 ( 0.000 11.259 0.000) 11.259 2.954 ( 0.000 -2.338 -0.000) 2.338 2.995 ( 0.000 13.752 0.000) 13.752 3.232 ( -0.000 -3.306 -0.000) 3.306 3.563 ( 0.000 2.045 -0.000) 2.045 3.891 ( 0.000 7.445 0.000) 7.445 4.156 ( 0.000 12.410 0.000) 12.410 4.490 ( -0.000 0.809 -0.000) 0.809 4.645 ( -0.000 -0.607 -0.000) 0.607 4.741 ( -0.000 -2.092 0.000) 2.092 5.133 ( 0.000 0.280 0.000) 0.280 5.214 ( 0.000 -1.560 0.000) 1.560 5.276 ( 0.000 -5.017 -0.000) 5.017 5.370 ( 0.000 -5.957 -0.000) 5.957 5.610 ( 0.000 -0.129 -0.000) 0.129 5.695 ( 0.000 1.264 -0.000) 1.264 5.825 ( -0.000 0.119 -0.000) 0.119 6.008 ( -0.000 2.629 -0.000) 2.629 6.075 ( 0.000 -11.835 0.000) 11.835 6.161 ( 0.000 -6.525 0.000) 6.525 6.365 ( 0.000 -3.085 0.000) 3.085 7.391 ( -0.000 -11.852 0.000) 11.852 7.418 ( 0.000 -12.883 -0.000) 12.883 7.693 ( 0.000 1.784 -0.000) 1.784 7.769 ( 0.000 3.114 -0.000) 3.114 7.826 ( 0.000 -0.994 -0.000) 0.994 7.879 ( 0.000 -5.150 0.000) 5.150 8.215 ( 0.000 3.875 0.000) 3.875 8.271 ( 0.000 0.976 0.000) 0.976 8.399 ( 0.000 5.224 -0.000) 5.224 9.046 ( 0.000 -2.715 -0.000) 2.715 9.059 ( 0.000 7.836 0.000) 7.836 9.305 ( -0.000 8.530 0.000) 8.530 11.412 ( 0.000 -0.388 -0.000) 0.388 11.417 ( 0.000 -0.669 0.000) 0.669 11.921 ( 0.000 2.685 -0.000) 2.685 12.125 ( 0.000 0.486 0.000) 0.486 14.120 ( 0.000 -0.822 0.000) 0.822 14.281 ( -0.000 -2.673 0.000) 2.673 14.534 ( 0.000 -0.265 0.000) 0.265 14.552 ( -0.000 -0.342 0.000) 0.342 14.903 ( -0.000 1.281 -0.000) 1.281 15.025 ( 0.000 1.217 0.000) 1.217 15.157 ( -0.000 -2.194 0.000) 2.194 15.267 ( 0.000 -0.221 -0.000) 0.221 17.457 ( 0.000 -0.552 0.000) 0.552 17.547 ( 0.000 -1.078 -0.000) 1.078 17.641 ( 0.000 3.010 0.000) 3.010 17.821 ( 0.000 0.410 -0.000) 0.410 22.623 ( 0.000 -0.493 -0.000) 0.493 22.669 ( 0.000 -1.938 0.000) 1.938 22.846 ( 0.000 2.288 0.000) 2.288 22.954 ( 0.000 0.175 -0.000) 0.175 24.734 ( 0.000 0.170 0.000) 0.170 24.754 ( -0.000 -0.072 -0.000) 0.072 24.864 ( 0.000 0.216 0.000) 0.216 24.871 ( 0.000 0.083 -0.000) 0.083 26.485 ( 0.000 0.329 0.000) 0.329 26.528 ( 0.000 -0.588 -0.000) 0.588 26.547 ( 0.000 0.216 0.000) 0.216 26.683 ( -0.000 -1.292 -0.000) 1.292 39.774 ( 0.000 -1.196 -0.000) 1.196 39.866 ( 0.000 -4.783 0.000) 4.783 40.115 ( -0.000 4.765 0.000) 4.765 40.197 ( 0.000 1.930 -0.000) 1.930 42.955 ( 0.000 0.323 -0.000) 0.323 43.001 ( -0.000 -0.449 0.000) 0.449 43.268 ( 0.000 0.236 0.000) 0.236 43.302 ( 0.000 -0.342 -0.000) 0.342 48.503 ( 0.000 1.315 0.000) 1.315 48.805 ( -0.000 -3.644 -0.000) 3.644 49.043 ( 0.000 -2.722 -0.000) 2.722 49.107 ( 0.000 -1.092 0.000) 1.092 49.366 ( -0.000 13.577 -0.000) 13.577 50.148 ( 0.000 2.445 0.000) 2.445 51.027 ( 0.000 -9.310 0.000) 9.310 51.556 ( 0.000 -15.047 -0.000) 15.047 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 14.012 0.000) 14.012 1.269 ( 0.000 9.436 0.000) 9.436 1.479 ( 0.000 4.582 0.000) 4.582 2.015 ( 0.000 2.930 0.000) 2.930 2.067 ( 0.000 22.697 0.000) 22.697 2.138 ( 0.000 -2.781 0.000) 2.781 2.370 ( 0.000 3.536 0.000) 3.536 2.479 ( 0.000 -0.632 0.000) 0.632 2.641 ( 0.000 -9.415 0.000) 9.415 2.892 ( 0.000 -7.705 0.000) 7.705 3.378 ( 0.000 44.037 0.000) 44.037 3.652 ( 0.000 23.988 0.000) 23.988 4.163 ( 0.000 9.313 0.000) 9.313 4.348 ( 0.000 19.680 0.000) 19.680 4.455 ( 0.000 3.955 0.000) 3.955 4.473 ( 0.000 0.284 0.000) 0.284 4.501 ( 0.000 4.012 0.000) 4.012 4.617 ( 0.000 3.715 0.000) 3.715 4.942 ( 0.000 -5.384 0.000) 5.384 5.094 ( 0.000 10.574 0.000) 10.574 5.341 ( 0.000 -0.560 0.000) 0.560 5.623 ( 0.000 -7.652 0.000) 7.652 5.648 ( 0.000 -17.240 0.000) 17.240 5.668 ( 0.000 5.802 0.000) 5.802 5.886 ( 0.000 -1.369 0.000) 1.369 5.976 ( 0.000 -15.968 0.000) 15.968 6.044 ( 0.000 -15.941 0.000) 15.941 6.207 ( 0.000 -8.739 0.000) 8.739 7.110 ( 0.000 -5.643 0.000) 5.643 7.547 ( 0.000 -3.022 0.000) 3.022 7.606 ( 0.000 2.081 0.000) 2.081 7.738 ( 0.000 -3.139 0.000) 3.139 7.792 ( 0.000 -2.449 0.000) 2.449 7.938 ( 0.000 -8.391 0.000) 8.391 8.177 ( 0.000 1.386 0.000) 1.386 8.185 ( 0.000 2.176 0.000) 2.176 8.918 ( 0.000 -3.502 0.000) 3.502 9.062 ( 0.000 -9.369 0.000) 9.369 9.092 ( 0.000 0.584 0.000) 0.584 9.126 ( 0.000 -0.412 0.000) 0.412 11.390 ( 0.000 4.362 0.000) 4.362 11.598 ( 0.000 0.335 0.000) 0.335 11.993 ( 0.000 3.392 0.000) 3.392 12.356 ( 0.000 -5.025 0.000) 5.025 14.345 ( 0.000 0.381 0.000) 0.381 14.393 ( 0.000 -1.112 0.000) 1.112 14.434 ( 0.000 0.715 0.000) 0.715 14.447 ( 0.000 0.233 0.000) 0.233 14.801 ( 0.000 0.606 0.000) 0.606 14.829 ( 0.000 -0.200 0.000) 0.200 15.125 ( 0.000 4.902 0.000) 4.902 15.330 ( 0.000 -1.667 0.000) 1.667 17.501 ( 0.000 -0.251 0.000) 0.251 17.506 ( 0.000 -0.335 0.000) 0.335 17.578 ( 0.000 4.610 0.000) 4.610 17.782 ( 0.000 -1.864 0.000) 1.864 22.606 ( 0.000 1.339 0.000) 1.339 22.708 ( 0.000 -1.646 0.000) 1.646 22.905 ( 0.000 2.767 0.000) 2.767 22.997 ( 0.000 -0.317 0.000) 0.317 24.731 ( 0.000 0.440 0.000) 0.440 24.740 ( 0.000 0.192 0.000) 0.192 24.865 ( 0.000 -0.107 0.000) 0.107 24.872 ( 0.000 -0.294 0.000) 0.294 26.494 ( 0.000 0.586 0.000) 0.586 26.517 ( 0.000 -0.200 0.000) 0.200 26.568 ( 0.000 -0.015 0.000) 0.015 26.650 ( 0.000 -2.002 0.000) 2.002 39.822 ( 0.000 0.648 0.000) 0.648 39.870 ( 0.000 -0.746 0.000) 0.746 40.152 ( 0.000 3.954 0.000) 3.954 40.365 ( 0.000 -2.244 0.000) 2.244 43.014 ( 0.000 0.362 0.000) 0.362 43.031 ( 0.000 -0.110 0.000) 0.110 43.280 ( 0.000 0.207 0.000) 0.207 43.310 ( 0.000 -0.646 0.000) 0.646 48.541 ( 0.000 2.416 0.000) 2.416 48.726 ( 0.000 -3.709 0.000) 3.709 49.125 ( 0.000 0.799 0.000) 0.799 49.244 ( 0.000 -2.148 0.000) 2.148 49.254 ( 0.000 0.329 0.000) 0.329 49.347 ( 0.000 -2.327 0.000) 2.327 49.755 ( 0.000 18.258 0.000) 18.258 50.925 ( 0.000 -17.321 0.000) 17.321 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 43.829 3.952 3.360) 44.135 1.421 ( 9.095 27.150 -3.351) 28.828 1.868 ( 10.181 -13.602 -0.039) 16.990 2.006 ( 8.353 9.759 -0.056) 12.846 2.158 ( 6.133 16.115 -1.409) 17.300 2.258 ( 33.006 -0.543 0.504) 33.014 2.383 ( 1.187 3.471 -0.231) 3.675 2.562 ( 6.278 -1.111 0.048) 6.376 2.627 ( 0.441 -5.318 0.989) 5.427 2.893 ( 0.150 -7.338 0.015) 7.340 3.309 ( -5.655 44.476 0.024) 44.834 3.746 ( 9.814 22.129 -0.449) 24.212 4.243 ( 3.579 11.597 1.596) 12.241 4.371 ( 5.338 15.685 -2.380) 16.739 4.456 ( -0.166 6.009 -0.170) 6.014 4.482 ( 1.489 1.026 -0.393) 1.851 4.532 ( 2.904 1.890 2.005) 4.003 4.709 ( 8.033 3.128 -0.338) 8.628 4.854 ( -8.831 2.875 -1.269) 9.373 5.094 ( 0.422 3.671 -0.489) 3.728 5.303 ( -2.868 -1.742 0.428) 3.383 5.635 ( -0.953 -14.779 1.937) 14.936 5.652 ( 1.992 -6.227 -1.575) 6.725 5.716 ( 3.956 4.069 0.034) 5.675 5.780 ( -8.790 -5.435 1.009) 10.384 5.899 ( -6.369 -14.495 -0.688) 15.848 6.087 ( 3.132 -12.146 -1.267) 12.607 6.210 ( 0.094 -11.368 0.928) 11.406 7.137 ( 2.639 -7.099 0.352) 7.582 7.553 ( -1.782 -6.148 1.188) 6.511 7.567 ( -3.284 2.397 -1.122) 4.218 7.721 ( -2.741 -3.472 -1.180) 4.578 7.793 ( 0.036 -2.266 0.087) 2.268 7.827 ( -5.687 -4.509 0.886) 7.312 8.199 ( 1.231 2.600 -0.351) 2.898 8.199 ( 1.898 1.483 0.355) 2.435 8.432 ( -15.779 10.375 -0.358) 18.888 8.809 ( -7.260 -4.385 0.407) 8.491 9.214 ( 7.877 4.905 0.273) 9.283 9.927 ( 28.186 -22.268 0.016) 35.921 11.396 ( 0.528 3.825 -0.045) 3.861 11.571 ( -2.624 0.272 0.011) 2.639 11.992 ( -0.052 3.474 -0.030) 3.475 12.321 ( -3.232 -4.415 -0.037) 5.472 14.300 ( -7.663 2.096 -0.070) 7.945 14.328 ( -1.894 -0.206 -0.017) 1.905 14.439 ( 1.436 -0.044 -0.184) 1.449 14.444 ( 1.368 0.100 0.225) 1.390 14.828 ( 2.337 1.168 0.027) 2.613 14.922 ( 5.951 -2.949 0.037) 6.641 15.120 ( -0.400 4.031 -0.026) 4.051 15.320 ( -0.962 -1.665 0.113) 1.926 17.486 ( -1.399 0.118 -0.384) 1.455 17.499 ( -0.041 -0.433 0.478) 0.646 17.602 ( 2.039 4.070 -0.174) 4.555 17.787 ( 0.519 -1.620 0.049) 1.702 22.616 ( 0.823 1.075 -0.018) 1.354 22.698 ( -1.186 -0.898 0.026) 1.488 22.896 ( -0.744 2.448 -0.036) 2.559 22.952 ( -2.791 1.202 0.018) 3.039 24.732 ( 0.096 0.417 -0.005) 0.428 24.741 ( 0.174 0.147 0.001) 0.228 24.867 ( 0.112 -0.066 0.003) 0.130 24.872 ( 0.024 -0.232 -0.003) 0.233 26.492 ( -0.179 0.406 0.507) 0.674 26.505 ( -0.748 -0.190 -0.528) 0.935 26.563 ( -0.367 0.196 0.454) 0.616 26.650 ( 0.031 -2.010 -0.432) 2.056 39.816 ( -0.565 -0.288 -0.113) 0.644 39.835 ( -2.771 -0.271 0.080) 2.785 40.163 ( 0.994 4.169 0.005) 4.286 40.328 ( -2.619 0.401 0.030) 2.650 43.003 ( -0.954 0.323 0.202) 1.027 43.014 ( -1.124 -0.118 -0.193) 1.147 43.278 ( -0.147 0.212 0.185) 0.318 43.306 ( -0.306 -0.610 -0.208) 0.714 48.541 ( -0.011 2.419 -0.006) 2.419 48.727 ( 0.102 -3.715 -0.175) 3.720 49.189 ( -1.692 2.061 -0.454) 2.705 49.239 ( 6.540 2.157 0.211) 6.890 49.301 ( -4.091 -2.292 0.121) 4.691 49.734 ( 36.422 -19.898 0.124) 41.503 49.829 ( 6.631 16.266 0.133) 17.567 50.968 ( 4.002 -18.376 0.056) 18.807 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.631 -0.829 -0.727) 1.271 1.703 ( 14.624 14.713 3.370) 21.016 1.816 ( 0.161 -0.230 -2.588) 2.604 2.278 ( 7.154 15.397 -1.582) 17.052 2.408 ( 4.425 7.440 -0.873) 8.700 2.505 ( 16.759 1.378 1.444) 16.878 2.691 ( 5.781 0.526 -0.418) 5.820 2.778 ( 18.457 11.226 0.268) 21.605 2.884 ( 1.071 -5.608 -0.162) 5.712 3.094 ( 30.961 -1.401 0.887) 31.005 3.192 ( -4.856 42.381 -0.159) 42.659 4.021 ( 9.467 10.560 -0.298) 14.185 4.231 ( -3.064 15.394 2.313) 15.866 4.458 ( 3.528 7.440 -7.186) 10.929 4.472 ( 1.687 4.372 5.995) 7.609 4.598 ( 4.029 0.076 -3.353) 5.242 4.644 ( -5.218 10.127 -8.289) 14.089 4.667 ( 12.285 7.443 9.604) 17.279 4.916 ( 13.128 1.214 -0.662) 13.200 5.115 ( 1.467 -0.703 0.423) 1.681 5.253 ( -1.731 -4.476 0.158) 4.802 5.542 ( -10.874 -8.224 1.530) 13.719 5.591 ( -3.956 -10.720 0.067) 11.427 5.719 ( 2.227 -4.015 -2.817) 5.387 5.741 ( -2.711 -13.317 1.689) 13.695 5.850 ( 3.924 -0.112 -0.095) 3.927 6.160 ( 3.623 -8.822 -1.006) 9.590 6.210 ( 0.174 -13.167 0.643) 13.184 7.203 ( 2.701 -10.059 0.128) 10.417 7.402 ( -9.654 -8.839 0.958) 13.124 7.509 ( -0.893 3.331 -0.864) 3.555 7.703 ( 1.301 -3.445 -0.271) 3.692 7.795 ( 0.360 -1.828 -0.741) 2.005 7.818 ( 1.179 -2.837 0.142) 3.076 8.239 ( 2.470 2.987 0.534) 3.912 8.246 ( 2.419 1.441 -1.018) 2.994 8.338 ( 4.655 8.858 0.511) 10.020 8.668 ( -6.330 -1.646 0.932) 6.607 9.329 ( 2.514 9.705 0.476) 10.037 10.155 ( -4.053 -15.438 -0.067) 15.961 11.405 ( 0.257 2.309 -0.034) 2.324 11.499 ( -4.107 0.306 0.021) 4.119 11.991 ( -0.075 3.669 -0.045) 3.670 12.240 ( -4.355 -2.821 -0.027) 5.189 14.176 ( -4.266 1.659 -0.033) 4.578 14.278 ( -2.657 -1.907 0.004) 3.270 14.479 ( 2.123 -0.251 -0.143) 2.142 14.486 ( 2.359 -0.319 0.141) 2.385 14.880 ( 2.528 1.851 0.026) 3.133 15.014 ( 3.107 -2.017 0.076) 3.705 15.111 ( -0.432 1.740 -0.104) 1.796 15.294 ( -1.505 -1.603 0.141) 2.203 17.463 ( -0.733 0.192 -0.440) 0.876 17.503 ( 0.420 -0.864 0.652) 1.162 17.649 ( 2.422 3.660 -0.337) 4.401 17.802 ( 0.833 -1.015 0.102) 1.317 22.631 ( 0.518 0.159 -0.010) 0.542 22.661 ( -2.114 0.050 0.029) 2.115 22.884 ( -0.252 2.068 -0.044) 2.083 22.928 ( 0.298 0.706 0.010) 0.766 24.735 ( 0.125 0.359 -0.008) 0.380 24.746 ( 0.232 0.031 0.002) 0.234 24.869 ( 0.050 0.080 0.003) 0.094 24.873 ( 0.022 -0.087 -0.003) 0.090 26.488 ( -0.095 0.233 0.736) 0.778 26.500 ( 0.256 -0.570 -0.761) 0.985 26.557 ( -0.133 0.527 0.653) 0.850 26.651 ( 0.005 -2.025 -0.610) 2.115 39.784 ( -2.026 -0.626 0.061) 2.121 39.801 ( -0.815 -2.021 -0.119) 2.183 40.184 ( 0.952 4.258 -0.012) 4.363 40.282 ( -1.911 1.996 0.088) 2.765 42.982 ( -0.978 0.326 0.289) 1.070 42.997 ( -0.501 -0.486 -0.293) 0.757 43.275 ( -0.106 0.249 0.263) 0.378 43.300 ( -0.269 -0.557 -0.298) 0.687 48.541 ( -0.036 2.397 -0.007) 2.397 48.728 ( 0.014 -3.798 -0.247) 3.806 49.106 ( -4.159 0.777 -0.287) 4.241 49.202 ( -5.157 -2.079 0.242) 5.566 49.445 ( 10.490 9.627 -0.116) 14.238 49.993 ( 8.954 12.109 0.265) 15.063 50.361 ( 23.155 -24.113 0.187) 33.431 51.065 ( 4.995 -20.654 -0.028) 21.249 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -1.944 -3.793 0.115) 4.264 1.665 ( -4.119 -5.842 0.216) 7.151 2.269 ( 27.652 15.261 -1.399) 31.614 2.434 ( 7.628 12.925 -0.059) 15.008 2.482 ( 3.820 10.948 -1.178) 11.655 2.692 ( 2.946 5.551 3.175) 7.041 2.804 ( 6.803 2.532 -1.119) 7.344 2.890 ( 0.241 -5.001 -0.013) 5.007 3.052 ( 5.600 39.281 0.670) 39.684 3.216 ( 7.569 19.496 -0.630) 20.923 3.498 ( 10.780 4.552 -0.091) 11.702 3.779 ( -25.598 6.733 -1.177) 26.495 4.141 ( -5.513 12.226 1.703) 13.519 4.467 ( -2.080 13.202 -1.895) 13.499 4.491 ( 1.211 1.541 -0.047) 1.960 4.628 ( 1.230 0.548 -0.424) 1.411 4.764 ( -3.349 0.576 0.831) 3.499 4.963 ( 20.058 -0.804 0.579) 20.082 5.131 ( 2.541 -0.411 -0.444) 2.612 5.148 ( 1.711 -2.091 0.739) 2.801 5.232 ( -1.020 -6.968 -0.170) 7.044 5.523 ( 2.011 -5.874 1.723) 6.443 5.539 ( 11.199 -5.346 -0.033) 12.409 5.708 ( 0.455 -17.961 -2.649) 18.161 5.799 ( 6.233 -1.380 0.276) 6.390 5.895 ( -1.380 -2.161 -0.641) 2.643 6.192 ( -1.779 -5.178 0.491) 5.497 6.235 ( 2.240 -9.388 0.124) 9.652 7.197 ( -2.565 -10.631 0.479) 10.946 7.240 ( -5.832 -10.018 -0.761) 11.616 7.592 ( 8.087 1.871 0.140) 8.301 7.741 ( 2.258 -2.800 0.256) 3.606 7.802 ( 0.196 -1.421 0.067) 1.436 7.821 ( -0.923 -2.586 -0.067) 2.746 8.269 ( 0.861 2.270 -0.294) 2.446 8.285 ( 1.123 0.889 -0.504) 1.518 8.567 ( -3.263 4.443 0.867) 5.580 8.612 ( 20.564 4.294 -0.082) 21.007 9.309 ( -3.688 11.378 0.321) 11.965 9.859 ( -22.439 -3.646 0.068) 22.733 11.405 ( -0.205 0.375 -0.001) 0.427 11.427 ( -2.552 -0.316 0.023) 2.572 11.989 ( -0.073 3.881 -0.032) 3.882 12.162 ( -2.970 -0.966 -0.005) 3.123 14.120 ( -1.548 0.064 -0.014) 1.550 14.233 ( -1.616 -3.256 0.010) 3.635 14.515 ( 1.303 -0.231 -0.076) 1.326 14.527 ( 1.533 -0.492 0.062) 1.612 14.922 ( 1.472 2.090 0.016) 2.557 15.055 ( 1.185 1.104 0.103) 1.623 15.105 ( -0.189 -1.330 -0.135) 1.350 15.265 ( -1.133 -1.436 0.087) 1.831 17.455 ( -0.196 0.207 -0.267) 0.390 17.514 ( 0.553 -1.321 0.440) 1.498 17.692 ( 1.589 3.583 -0.276) 3.930 17.818 ( 0.697 -0.371 0.099) 0.796 22.625 ( -1.294 -0.290 0.020) 1.327 22.634 ( -0.115 -1.081 0.001) 1.087 22.887 ( 0.406 2.148 -0.029) 2.186 22.945 ( 0.984 0.104 0.002) 0.989 24.737 ( 0.086 0.293 -0.007) 0.305 24.750 ( 0.156 -0.093 0.002) 0.182 24.869 ( 0.009 0.209 0.002) 0.209 24.873 ( 0.006 0.048 -0.001) 0.048 26.490 ( 0.203 0.334 0.491) 0.627 26.509 ( 0.524 -0.652 -0.524) 0.987 26.556 ( -0.031 0.660 0.478) 0.816 26.650 ( -0.042 -2.030 -0.433) 2.076 39.754 ( -0.947 -1.321 0.031) 1.625 39.786 ( -0.574 -3.269 -0.073) 3.320 40.198 ( 0.387 4.001 -0.014) 4.020 40.252 ( -1.041 2.203 0.069) 2.438 42.967 ( -0.477 0.418 0.207) 0.667 42.992 ( -0.135 -0.571 -0.211) 0.624 43.274 ( -0.016 0.306 0.188) 0.359 43.296 ( -0.142 -0.472 -0.212) 0.536 48.540 ( -0.039 2.352 -0.005) 2.352 48.728 ( -0.071 -3.938 -0.171) 3.943 49.040 ( -2.266 -0.008 -0.167) 2.273 49.113 ( -3.283 -1.806 0.170) 3.751 49.614 ( 5.695 15.577 -0.118) 16.586 50.161 ( 6.789 8.206 0.187) 10.652 50.681 ( 9.529 -18.436 0.211) 20.754 51.149 ( 2.984 -21.898 -0.102) 22.101 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 -4.871 -0.000) 4.871 1.622 ( 0.000 -5.689 0.000) 5.689 2.496 ( 0.000 6.862 0.000) 6.862 2.593 ( 0.000 9.873 -0.000) 9.873 2.614 ( 0.000 3.169 -0.000) 3.169 2.630 ( 0.000 31.866 0.000) 31.866 2.886 ( -0.000 -4.627 -0.000) 4.627 3.143 ( 0.000 13.069 0.000) 13.069 3.144 ( 0.000 17.387 -0.000) 17.387 3.184 ( -0.000 20.378 -0.000) 20.378 3.302 ( 0.000 16.624 -0.000) 16.624 3.629 ( 0.000 4.457 -0.000) 4.457 4.061 ( 0.000 7.393 0.000) 7.393 4.444 ( 0.000 14.093 -0.000) 14.093 4.511 ( -0.000 1.304 -0.000) 1.304 4.640 ( -0.000 0.999 0.000) 0.999 4.689 ( 0.000 -1.785 0.000) 1.785 5.134 ( 0.000 -8.931 -0.000) 8.931 5.144 ( 0.000 0.844 0.000) 0.844 5.172 ( 0.000 -2.678 0.000) 2.678 5.221 ( -0.000 -8.523 -0.000) 8.523 5.586 ( 0.000 -5.617 -0.000) 5.617 5.678 ( 0.000 -3.539 -0.000) 3.539 5.781 ( 0.000 -6.409 -0.000) 6.409 5.795 ( -0.000 -12.784 0.000) 12.784 5.997 ( -0.000 -9.369 0.000) 9.369 6.081 ( 0.000 4.171 -0.000) 4.171 6.266 ( 0.000 -6.259 0.000) 6.259 7.162 ( -0.000 -10.210 0.000) 10.210 7.180 ( 0.000 -10.605 -0.000) 10.605 7.708 ( 0.000 0.193 -0.000) 0.193 7.781 ( 0.000 -1.238 -0.000) 1.238 7.794 ( -0.000 -3.108 0.000) 3.108 7.801 ( 0.000 -1.513 -0.000) 1.513 8.277 ( 0.000 2.304 0.000) 2.304 8.291 ( 0.000 0.978 0.000) 0.978 8.536 ( 0.000 8.369 -0.000) 8.369 8.972 ( 0.000 -4.902 -0.000) 4.902 9.253 ( 0.000 11.150 0.000) 11.150 9.477 ( -0.000 7.510 -0.000) 7.510 11.402 ( 0.000 -0.791 0.000) 0.791 11.402 ( 0.000 -0.575 -0.000) 0.575 11.988 ( 0.000 3.981 -0.000) 3.981 12.131 ( 0.000 -0.092 0.000) 0.092 14.105 ( 0.000 -0.504 0.000) 0.504 14.216 ( -0.000 -3.724 0.000) 3.724 14.529 ( 0.000 -0.206 0.000) 0.206 14.543 ( -0.000 -0.545 0.000) 0.545 14.937 ( -0.000 2.122 -0.000) 2.122 15.067 ( 0.000 3.040 0.000) 3.040 15.103 ( 0.000 -3.176 0.000) 3.176 15.253 ( 0.000 -1.331 -0.000) 1.331 17.453 ( 0.000 0.233 0.000) 0.233 17.520 ( 0.000 -1.524 -0.000) 1.524 17.708 ( 0.000 3.614 0.000) 3.614 17.826 ( 0.000 -0.091 -0.000) 0.091 22.612 ( 0.000 -0.588 -0.000) 0.588 22.632 ( 0.000 -1.633 0.000) 1.633 22.893 ( -0.000 2.255 0.000) 2.255 22.956 ( 0.000 -0.025 -0.000) 0.025 24.738 ( 0.000 0.264 0.000) 0.264 24.752 ( -0.000 -0.147 -0.000) 0.147 24.869 ( 0.000 0.257 0.000) 0.257 24.873 ( 0.000 0.102 -0.000) 0.102 26.493 ( 0.000 0.415 -0.000) 0.415 26.515 ( 0.000 -0.596 0.000) 0.596 26.556 ( 0.000 0.690 0.000) 0.690 26.650 ( -0.000 -2.030 -0.000) 2.030 39.745 ( 0.000 -1.595 -0.000) 1.595 39.780 ( 0.000 -3.691 0.000) 3.691 40.201 ( -0.000 3.839 0.000) 3.839 40.241 ( 0.000 2.184 -0.000) 2.184 42.963 ( 0.000 0.472 -0.000) 0.472 42.990 ( -0.000 -0.540 0.000) 0.540 43.274 ( 0.000 0.332 0.000) 0.332 43.294 ( 0.000 -0.429 -0.000) 0.429 48.539 ( 0.000 2.326 0.000) 2.326 48.727 ( 0.000 -4.012 -0.000) 4.012 49.017 ( 0.000 -0.337 -0.000) 0.337 49.079 ( 0.000 -1.680 0.000) 1.680 49.671 ( -0.000 17.594 -0.000) 17.594 50.235 ( 0.000 6.859 -0.000) 6.859 50.774 ( 0.000 -16.101 0.000) 16.101 51.180 ( 0.000 -22.016 -0.000) 22.016 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 16.312 0.000) 16.312 1.039 ( 0.000 -16.870 0.000) 16.870 1.858 ( 0.000 16.795 0.000) 16.795 2.019 ( 0.000 -2.583 0.000) 2.583 2.163 ( 0.000 6.389 0.000) 6.389 2.329 ( 0.000 7.979 0.000) 7.979 2.380 ( 0.000 -11.043 0.000) 11.043 2.438 ( 0.000 -3.673 0.000) 3.673 2.538 ( 0.000 6.703 0.000) 6.703 2.719 ( 0.000 -9.791 0.000) 9.791 4.064 ( 0.000 17.068 0.000) 17.068 4.206 ( 0.000 32.102 0.000) 32.102 4.257 ( 0.000 -1.791 0.000) 1.791 4.458 ( 0.000 -1.379 0.000) 1.379 4.482 ( 0.000 0.941 0.000) 0.941 4.551 ( 0.000 -2.977 0.000) 2.977 4.737 ( 0.000 9.322 0.000) 9.322 4.776 ( 0.000 23.765 0.000) 23.765 4.875 ( 0.000 -2.728 0.000) 2.728 5.238 ( 0.000 -21.685 0.000) 21.685 5.360 ( 0.000 14.189 0.000) 14.189 5.381 ( 0.000 7.936 0.000) 7.936 5.539 ( 0.000 0.923 0.000) 0.923 5.683 ( 0.000 -12.699 0.000) 12.699 5.699 ( 0.000 -18.563 0.000) 18.563 5.716 ( 0.000 -10.832 0.000) 10.832 5.847 ( 0.000 -12.023 0.000) 12.023 5.851 ( 0.000 -3.607 0.000) 3.607 7.210 ( 0.000 12.455 0.000) 12.455 7.442 ( 0.000 -8.879 0.000) 8.879 7.658 ( 0.000 3.567 0.000) 3.567 7.715 ( 0.000 0.493 0.000) 0.493 7.745 ( 0.000 -2.253 0.000) 2.253 7.766 ( 0.000 -7.995 0.000) 7.995 8.200 ( 0.000 0.865 0.000) 0.865 8.207 ( 0.000 0.260 0.000) 0.260 8.866 ( 0.000 -0.914 0.000) 0.914 8.908 ( 0.000 -5.435 0.000) 5.435 9.104 ( 0.000 0.644 0.000) 0.644 9.117 ( 0.000 -0.569 0.000) 0.569 11.481 ( 0.000 4.744 0.000) 4.744 11.564 ( 0.000 -3.471 0.000) 3.471 12.099 ( 0.000 6.978 0.000) 6.978 12.239 ( 0.000 -6.901 0.000) 6.901 14.356 ( 0.000 0.705 0.000) 0.705 14.372 ( 0.000 -0.963 0.000) 0.963 14.445 ( 0.000 0.390 0.000) 0.390 14.449 ( 0.000 0.014 0.000) 0.014 14.813 ( 0.000 0.575 0.000) 0.575 14.823 ( 0.000 -0.393 0.000) 0.393 15.216 ( 0.000 4.290 0.000) 4.290 15.286 ( 0.000 -2.881 0.000) 2.881 17.498 ( 0.000 -0.039 0.000) 0.039 17.500 ( 0.000 -0.216 0.000) 0.216 17.665 ( 0.000 4.164 0.000) 4.164 17.735 ( 0.000 -2.993 0.000) 2.993 22.637 ( 0.000 1.764 0.000) 1.764 22.673 ( 0.000 -1.900 0.000) 1.900 22.954 ( 0.000 2.110 0.000) 2.110 22.985 ( 0.000 -1.053 0.000) 1.053 24.739 ( 0.000 0.271 0.000) 0.271 24.742 ( 0.000 0.022 0.000) 0.022 24.864 ( 0.000 0.004 0.000) 0.004 24.867 ( 0.000 -0.196 0.000) 0.196 26.505 ( 0.000 0.505 0.000) 0.505 26.513 ( 0.000 -0.295 0.000) 0.295 26.578 ( 0.000 1.106 0.000) 1.106 26.609 ( 0.000 -2.023 0.000) 2.023 39.837 ( 0.000 0.850 0.000) 0.850 39.854 ( 0.000 -0.894 0.000) 0.894 40.233 ( 0.000 4.224 0.000) 4.224 40.309 ( 0.000 -3.463 0.000) 3.463 43.021 ( 0.000 0.350 0.000) 0.350 43.027 ( 0.000 -0.233 0.000) 0.233 43.286 ( 0.000 0.451 0.000) 0.451 43.297 ( 0.000 -0.652 0.000) 0.652 48.594 ( 0.000 3.009 0.000) 3.009 48.657 ( 0.000 -3.371 0.000) 3.371 49.154 ( 0.000 2.014 0.000) 2.014 49.198 ( 0.000 -2.448 0.000) 2.448 49.269 ( 0.000 1.234 0.000) 1.234 49.302 ( 0.000 -2.121 0.000) 2.121 50.139 ( 0.000 20.863 0.000) 20.863 50.548 ( 0.000 -20.803 0.000) 20.803 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 34.863 7.233 1.254) 35.628 1.622 ( 24.649 -10.881 -0.575) 26.950 1.880 ( 5.954 18.201 0.848) 19.169 2.074 ( 13.445 -1.640 1.046) 13.585 2.253 ( 19.498 0.146 -1.841) 19.586 2.310 ( 2.033 -1.642 -2.020) 3.303 2.459 ( 6.057 5.240 2.072) 8.273 2.536 ( 8.323 -2.163 -0.038) 8.600 2.585 ( 5.463 3.485 0.552) 6.504 2.729 ( 1.019 -9.057 -0.139) 9.115 4.099 ( -4.430 24.306 -1.053) 24.729 4.117 ( 3.962 15.076 1.450) 15.655 4.392 ( 5.626 5.548 -0.039) 7.902 4.482 ( 1.906 -1.127 -0.956) 2.412 4.513 ( 4.678 2.348 1.112) 5.351 4.567 ( 2.032 -1.311 0.983) 2.611 4.735 ( 1.395 15.550 -1.565) 15.691 4.835 ( 4.325 14.660 1.040) 15.320 4.883 ( 0.363 -0.902 -1.570) 1.846 5.244 ( 0.424 -19.372 -1.235) 19.416 5.277 ( -7.195 10.378 -2.337) 12.843 5.313 ( -5.032 6.510 2.790) 8.688 5.574 ( -10.296 -15.147 -1.481) 18.375 5.591 ( -2.138 -8.364 -1.015) 8.692 5.600 ( -0.703 -5.835 2.541) 6.403 5.792 ( 5.390 -9.387 0.899) 10.862 5.847 ( -0.190 -9.305 -0.662) 9.331 5.910 ( 4.568 -5.646 -0.085) 7.264 7.176 ( -2.554 9.046 0.243) 9.403 7.386 ( -5.817 -10.744 0.303) 12.221 7.622 ( -2.927 2.946 0.204) 4.158 7.675 ( -3.337 -1.982 -2.072) 4.399 7.748 ( 0.362 -1.922 0.367) 1.990 7.759 ( 0.721 -1.742 1.216) 2.244 8.222 ( 1.953 0.798 -0.968) 2.321 8.226 ( 1.789 0.438 0.104) 1.844 8.590 ( -11.824 6.575 -0.084) 13.529 8.709 ( -8.030 -5.676 0.134) 9.834 9.346 ( 14.717 8.951 0.766) 17.242 9.573 ( 22.658 -14.644 0.153) 26.978 11.475 ( -0.643 4.052 -0.016) 4.103 11.544 ( -1.929 -2.814 0.003) 3.412 12.092 ( -0.652 6.325 -0.044) 6.359 12.217 ( -1.961 -6.160 -0.048) 6.465 14.321 ( -5.308 0.420 -0.093) 5.326 14.325 ( -3.429 -0.093 -0.027) 3.430 14.441 ( 0.905 0.183 -0.324) 0.978 14.444 ( 0.862 -0.108 0.394) 0.954 14.853 ( 3.256 1.341 0.014) 3.522 14.881 ( 4.433 -1.600 -0.007) 4.713 15.204 ( -1.113 4.233 0.100) 4.378 15.275 ( -1.037 -2.971 0.142) 3.150 17.487 ( -0.956 0.131 -0.164) 0.979 17.492 ( -0.455 -0.317 0.174) 0.581 17.681 ( 1.484 3.836 -0.068) 4.113 17.746 ( 0.988 -2.718 -0.023) 2.892 22.641 ( 0.286 1.504 0.005) 1.531 22.672 ( -0.285 -1.574 0.015) 1.600 22.938 ( -1.290 1.707 -0.038) 2.140 22.959 ( -1.943 -0.403 0.025) 1.984 24.740 ( 0.074 0.277 0.010) 0.287 24.743 ( 0.093 -0.018 -0.015) 0.096 24.866 ( 0.168 -0.001 0.008) 0.168 24.868 ( 0.130 -0.146 -0.009) 0.195 26.499 ( -0.496 0.264 0.161) 0.584 26.502 ( -0.753 -0.111 -0.174) 0.781 26.576 ( -0.071 1.246 0.158) 1.258 26.609 ( 0.022 -2.043 -0.154) 2.049 39.816 ( -1.830 0.266 -0.088) 1.851 39.825 ( -2.477 -0.581 0.073) 2.545 40.243 ( 0.820 3.898 0.009) 3.984 40.306 ( -0.321 -2.394 0.020) 2.416 43.009 ( -1.049 0.232 0.107) 1.079 43.013 ( -1.175 -0.079 -0.102) 1.182 43.284 ( -0.162 0.418 0.052) 0.452 43.294 ( -0.237 -0.593 -0.079) 0.644 48.595 ( 0.001 3.034 -0.029) 3.034 48.658 ( 0.050 -3.410 -0.071) 3.411 49.222 ( -4.108 1.516 -0.066) 4.379 49.257 ( -4.006 -2.114 0.022) 4.529 49.314 ( 14.466 5.622 0.037) 15.520 49.461 ( 22.546 -9.878 -0.000) 24.615 50.186 ( 4.288 19.975 0.057) 20.431 50.586 ( 3.384 -20.623 0.061) 20.899 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -3.051 0.606 0.474) 3.146 1.673 ( -5.077 -3.949 0.002) 6.432 2.107 ( 15.445 15.595 -3.524) 22.230 2.338 ( 9.028 -7.059 2.151) 11.660 2.527 ( 7.973 6.744 1.851) 10.605 2.598 ( 6.961 7.775 0.390) 10.444 2.650 ( 8.162 -4.206 -0.700) 9.209 2.755 ( 1.383 -7.620 -0.169) 7.746 2.961 ( 31.890 7.175 -0.104) 32.687 3.058 ( 35.968 -2.874 0.537) 36.086 4.007 ( -3.988 30.133 -0.272) 30.397 4.185 ( -1.697 4.693 0.737) 5.044 4.417 ( -1.779 4.907 0.775) 5.276 4.540 ( 3.540 -3.829 -0.222) 5.219 4.608 ( 1.529 7.915 5.688) 9.866 4.653 ( 5.123 7.436 -4.617) 10.142 4.850 ( -2.832 7.528 -3.688) 8.848 4.870 ( 10.019 12.802 -0.305) 16.259 4.924 ( 5.814 1.213 0.789) 5.991 5.144 ( -3.280 4.354 -0.128) 5.453 5.222 ( -4.014 3.271 0.393) 5.193 5.259 ( 0.721 -21.323 -0.302) 21.338 5.343 ( -8.536 -10.285 0.376) 13.371 5.457 ( -5.721 -12.257 -0.850) 13.553 5.662 ( 2.735 -0.941 -0.854) 3.016 5.817 ( -1.675 -15.657 -0.859) 15.770 5.947 ( 8.535 0.469 0.995) 8.606 6.022 ( 6.263 -5.224 0.749) 8.190 7.129 ( -2.383 2.001 0.268) 3.123 7.235 ( -7.989 -7.804 -0.186) 11.170 7.578 ( -0.259 3.621 -0.281) 3.641 7.643 ( 0.561 -2.977 -0.567) 3.082 7.765 ( 1.014 -1.017 -0.274) 1.462 7.776 ( 0.705 -1.250 0.869) 1.678 8.267 ( 2.134 0.647 -0.125) 2.234 8.269 ( 1.928 0.560 -1.309) 2.397 8.496 ( 2.182 6.930 -0.143) 7.267 8.610 ( -1.606 -4.322 1.077) 4.735 9.558 ( 4.917 13.623 0.889) 14.510 9.847 ( 3.566 -15.725 0.152) 16.125 11.451 ( -1.699 2.267 -0.013) 2.833 11.488 ( -3.459 -1.358 0.012) 3.716 12.078 ( -0.682 4.946 -0.067) 4.993 12.170 ( -2.406 -4.338 -0.063) 4.961 14.207 ( -4.994 1.636 -0.037) 5.255 14.241 ( -4.193 -1.820 -0.015) 4.571 14.477 ( 2.105 0.031 -0.174) 2.112 14.480 ( 2.165 -0.269 0.171) 2.188 14.920 ( 3.018 2.181 0.001) 3.724 14.965 ( 3.573 -2.499 0.011) 4.360 15.176 ( -1.497 4.034 0.094) 4.304 15.248 ( -1.499 -3.105 0.172) 3.452 17.471 ( -0.530 0.607 -0.189) 0.828 17.486 ( -0.075 -0.860 0.226) 0.892 17.719 ( 2.037 3.274 -0.101) 3.857 17.772 ( 1.481 -2.117 -0.014) 2.584 22.639 ( -0.614 0.634 0.010) 0.883 22.653 ( -1.559 -0.697 0.023) 1.708 22.918 ( -0.371 1.328 -0.033) 1.379 22.933 ( -0.281 -0.211 0.016) 0.352 24.741 ( 0.084 0.282 -0.000) 0.294 24.745 ( 0.117 -0.108 -0.009) 0.159 24.870 ( 0.164 0.038 0.011) 0.169 24.871 ( 0.145 -0.055 -0.011) 0.155 26.492 ( -0.088 0.105 0.219) 0.259 26.494 ( 0.016 -0.134 -0.242) 0.277 26.576 ( 0.012 1.387 0.230) 1.406 26.610 ( 0.016 -2.041 -0.218) 2.052 39.772 ( -2.402 -0.376 -0.016) 2.431 39.775 ( -2.013 -0.705 0.000) 2.132 40.257 ( 0.383 3.012 0.024) 3.036 40.294 ( -0.819 -0.710 0.022) 1.084 42.988 ( -0.900 0.210 0.152) 0.937 42.992 ( -0.760 -0.171 -0.148) 0.793 43.281 ( -0.098 0.371 0.074) 0.391 43.290 ( -0.176 -0.496 -0.117) 0.539 48.594 ( -0.066 3.043 -0.031) 3.044 48.658 ( -0.062 -3.465 -0.116) 3.467 49.128 ( -4.656 1.411 -0.058) 4.865 49.161 ( -4.900 -1.995 0.037) 5.291 49.655 ( 17.081 12.432 -0.059) 21.126 49.947 ( 22.442 -18.036 0.108) 28.792 50.289 ( 5.384 17.890 0.095) 18.683 50.666 ( 4.070 -20.357 0.036) 20.760 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -3.139 -0.589 0.058) 3.195 1.575 ( -3.746 -3.142 0.095) 4.890 2.497 ( 19.644 7.228 -7.680) 22.296 2.562 ( 9.912 2.188 3.622) 10.778 2.626 ( 3.466 7.165 -0.409) 7.970 2.751 ( 9.294 1.949 9.238) 13.248 2.772 ( 1.257 -6.809 0.031) 6.925 2.808 ( 8.312 -1.454 -4.955) 9.785 3.450 ( 14.653 10.689 0.239) 18.139 3.557 ( 14.122 -0.243 0.131) 14.125 3.947 ( -8.542 20.360 -3.941) 22.428 3.965 ( -11.297 18.118 4.711) 21.865 4.302 ( -10.897 9.874 1.652) 14.798 4.567 ( -2.968 4.201 0.265) 5.150 4.571 ( -0.680 -1.725 -2.090) 2.794 4.659 ( -1.344 -4.198 -1.317) 4.600 4.841 ( -5.350 9.596 -0.218) 10.988 4.942 ( 5.180 -0.821 0.597) 5.279 5.084 ( 2.265 -2.910 0.360) 3.705 5.132 ( 0.468 1.111 0.932) 1.524 5.155 ( -0.340 -0.838 -0.011) 0.905 5.275 ( 0.984 -20.231 -0.664) 20.265 5.436 ( 10.940 -3.720 7.184) 13.607 5.459 ( 8.421 -3.745 -6.451) 11.250 5.728 ( 4.996 -3.626 -3.543) 7.117 5.777 ( -2.147 -8.647 -1.499) 9.035 6.112 ( 6.536 -1.261 -0.890) 6.716 6.130 ( 3.180 -1.822 3.940) 5.381 7.067 ( -3.236 -2.482 1.014) 4.202 7.093 ( -5.449 -4.721 -1.339) 7.333 7.637 ( 5.328 2.565 -0.343) 5.923 7.689 ( 3.383 -2.576 0.513) 4.283 7.779 ( 0.115 -0.781 -0.014) 0.789 7.781 ( -0.284 -1.192 0.444) 1.304 8.296 ( 0.873 0.641 -1.148) 1.578 8.298 ( 0.883 0.337 -0.417) 1.033 8.637 ( 4.916 2.420 -0.354) 5.491 8.662 ( 11.735 0.828 0.927) 11.801 9.541 ( -5.346 11.816 0.644) 12.985 9.743 ( -11.876 -8.402 0.275) 14.550 11.413 ( -1.797 0.386 -0.014) 1.838 11.420 ( -2.758 -0.399 0.018) 2.787 12.067 ( -0.362 3.833 -0.045) 3.850 12.129 ( -1.463 -2.493 -0.038) 2.891 14.133 ( -2.380 1.347 -0.017) 2.735 14.173 ( -2.350 -2.706 -0.001) 3.584 14.513 ( 1.352 0.084 -0.051) 1.356 14.518 ( 1.429 -0.397 0.031) 1.483 14.968 ( 1.625 2.564 -0.001) 3.036 15.021 ( 1.910 -2.853 0.021) 3.433 15.150 ( -1.048 3.914 0.036) 4.052 15.221 ( -1.040 -3.122 0.103) 3.292 17.466 ( -0.060 0.918 -0.114) 0.927 17.488 ( 0.212 -1.298 0.150) 1.323 17.756 ( 1.476 2.890 -0.082) 3.246 17.800 ( 1.156 -1.567 0.013) 1.948 22.619 ( -1.429 -0.203 -0.028) 1.444 22.620 ( -1.009 -0.343 0.055) 1.068 22.922 ( 0.542 1.423 -0.009) 1.523 22.941 ( 0.718 -0.538 -0.003) 0.898 24.743 ( 0.052 0.274 -0.005) 0.279 24.747 ( 0.075 -0.188 -0.002) 0.202 24.872 ( 0.085 0.102 0.006) 0.133 24.874 ( 0.081 0.006 -0.005) 0.081 26.495 ( 0.346 0.235 0.085) 0.427 26.500 ( 0.483 -0.302 -0.104) 0.579 26.576 ( -0.005 1.402 0.170) 1.413 26.610 ( -0.027 -2.009 -0.158) 2.015 39.734 ( -1.299 -0.497 0.022) 1.392 39.741 ( -1.186 -1.323 -0.032) 1.777 40.259 ( -0.083 2.150 0.038) 2.151 40.278 ( -0.719 0.272 -0.004) 0.769 42.975 ( -0.356 0.370 0.096) 0.522 42.982 ( -0.206 -0.384 -0.094) 0.446 43.280 ( -0.004 0.336 0.057) 0.341 43.287 ( -0.062 -0.397 -0.088) 0.411 48.592 ( -0.087 3.001 -0.018) 3.003 48.655 ( -0.123 -3.474 -0.086) 3.477 49.051 ( -2.732 1.023 -0.025) 2.918 49.078 ( -3.037 -1.701 0.018) 3.481 49.937 ( 9.856 17.679 -0.073) 20.241 50.301 ( 11.996 -19.675 0.058) 23.044 50.387 ( 3.909 15.069 0.171) 15.569 50.734 ( 2.446 -20.166 -0.040) 20.314 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 -1.074 -0.000) 1.074 1.537 ( 0.000 -2.811 0.000) 2.811 2.638 ( 0.000 7.510 0.000) 7.510 2.677 ( 0.000 2.810 -0.000) 2.810 2.698 ( -0.000 1.405 0.000) 1.405 2.776 ( 0.000 -6.534 -0.000) 6.534 2.894 ( 0.000 7.212 0.000) 7.212 3.024 ( 0.000 -6.475 -0.000) 6.475 3.588 ( 0.000 11.230 0.000) 11.230 3.631 ( 0.000 23.686 -0.000) 23.686 3.694 ( 0.000 0.403 -0.000) 0.403 4.019 ( -0.000 -13.393 0.000) 13.393 4.073 ( 0.000 45.599 -0.000) 45.599 4.537 ( 0.000 1.335 0.000) 1.335 4.557 ( -0.000 -0.125 0.000) 0.125 4.657 ( -0.000 -9.614 -0.000) 9.614 4.783 ( 0.000 11.475 0.000) 11.475 4.967 ( 0.000 -7.528 -0.000) 7.528 5.096 ( 0.000 -1.608 -0.000) 1.608 5.139 ( 0.000 1.074 0.000) 1.074 5.161 ( 0.000 0.458 0.000) 0.458 5.286 ( 0.000 -18.755 -0.000) 18.755 5.569 ( -0.000 -6.176 -0.000) 6.176 5.578 ( 0.000 -9.649 0.000) 9.649 5.738 ( 0.000 2.775 -0.000) 2.775 5.833 ( -0.000 -6.871 0.000) 6.871 6.144 ( 0.000 2.127 -0.000) 2.127 6.179 ( -0.000 -2.353 0.000) 2.353 7.030 ( 0.000 -3.220 0.000) 3.220 7.036 ( 0.000 -3.902 -0.000) 3.902 7.716 ( 0.000 0.849 -0.000) 0.849 7.745 ( 0.000 -2.017 -0.000) 2.017 7.762 ( -0.000 -0.315 0.000) 0.315 7.773 ( 0.000 -1.220 -0.000) 1.220 8.304 ( 0.000 0.564 0.000) 0.564 8.306 ( 0.000 0.500 -0.000) 0.500 8.705 ( 0.000 8.546 -0.000) 8.546 8.857 ( 0.000 -6.933 0.000) 6.933 9.453 ( 0.000 8.505 0.000) 8.505 9.549 ( -0.000 -0.714 -0.000) 0.714 11.391 ( 0.000 -0.253 0.000) 0.253 11.392 ( 0.000 -0.365 -0.000) 0.365 12.063 ( 0.000 3.445 -0.000) 3.445 12.114 ( 0.000 -1.736 0.000) 1.736 14.109 ( 0.000 1.078 -0.000) 1.078 14.149 ( -0.000 -2.925 0.000) 2.925 14.527 ( 0.000 0.120 0.000) 0.120 14.533 ( 0.000 -0.449 -0.000) 0.449 14.984 ( 0.000 2.680 0.000) 2.680 15.041 ( -0.000 -3.119 -0.000) 3.119 15.138 ( 0.000 4.032 0.000) 4.032 15.210 ( 0.000 -3.101 -0.000) 3.101 17.466 ( 0.000 1.037 0.000) 1.037 17.491 ( 0.000 -1.468 -0.000) 1.468 17.772 ( 0.000 2.776 0.000) 2.776 17.812 ( 0.000 -1.353 -0.000) 1.353 22.604 ( 0.000 -0.136 -0.000) 0.136 22.609 ( 0.000 -0.722 0.000) 0.722 22.929 ( -0.000 1.499 0.000) 1.499 22.950 ( 0.000 -0.648 -0.000) 0.648 24.743 ( 0.000 0.268 -0.000) 0.268 24.748 ( 0.000 -0.218 0.000) 0.218 24.873 ( 0.000 0.130 0.000) 0.130 24.875 ( 0.000 0.025 -0.000) 0.025 26.500 ( 0.000 0.317 -0.000) 0.317 26.506 ( 0.000 -0.352 0.000) 0.352 26.576 ( 0.000 1.398 0.000) 1.398 26.609 ( -0.000 -1.994 -0.000) 1.994 39.721 ( 0.000 -0.585 -0.000) 0.585 39.729 ( 0.000 -1.516 0.000) 1.516 40.258 ( 0.000 1.817 0.000) 1.817 40.270 ( 0.000 0.558 -0.000) 0.558 42.972 ( 0.000 0.456 -0.000) 0.456 42.981 ( -0.000 -0.457 0.000) 0.457 43.280 ( 0.000 0.321 0.000) 0.321 43.287 ( 0.000 -0.352 -0.000) 0.352 48.591 ( 0.000 2.970 0.000) 2.970 48.654 ( 0.000 -3.465 -0.000) 3.465 49.022 ( 0.000 0.814 -0.000) 0.814 49.046 ( 0.000 -1.546 0.000) 1.546 50.037 ( -0.000 19.769 -0.000) 19.769 50.423 ( 0.000 -19.483 -0.000) 19.483 50.430 ( 0.000 13.505 0.000) 13.505 50.759 ( 0.000 -20.066 -0.000) 20.066 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( -8.876 0.000 15.273) 17.664 0.760 ( -2.808 0.000 34.195) 34.310 1.429 ( 0.817 0.000 19.182) 19.199 1.708 ( -0.838 0.000 36.137) 36.147 1.871 ( 0.065 0.000 -1.719) 1.720 2.249 ( -1.103 0.000 -4.714) 4.841 2.401 ( 1.261 0.000 -3.957) 4.153 2.600 ( -8.336 0.000 5.450) 9.960 2.612 ( 7.876 0.000 8.430) 11.537 2.839 ( -0.432 0.000 6.687) 6.701 2.981 ( 0.098 0.000 10.677) 10.677 3.047 ( 0.092 0.000 -2.463) 2.464 3.609 ( 0.677 0.000 -19.375) 19.387 3.649 ( 0.193 0.000 -17.474) 17.475 4.446 ( 1.057 0.000 12.355) 12.400 4.502 ( -0.894 0.000 5.476) 5.549 4.578 ( 0.225 0.000 0.140) 0.265 4.740 ( -0.610 0.000 14.895) 14.908 4.916 ( -1.677 0.000 3.958) 4.298 5.123 ( 0.147 0.000 -0.932) 0.944 5.214 ( -0.111 0.000 -0.437) 0.451 5.439 ( 1.169 0.000 -2.220) 2.509 5.875 ( -0.460 0.000 -3.834) 3.861 5.877 ( 0.081 0.000 4.470) 4.471 6.005 ( 0.169 0.000 1.281) 1.292 6.164 ( -1.101 0.000 0.963) 1.462 6.186 ( 0.575 0.000 -18.549) 18.558 6.431 ( 0.679 0.000 6.947) 6.980 7.262 ( -0.332 0.000 -24.444) 24.446 7.351 ( 0.332 0.000 -14.420) 14.424 7.540 ( -0.407 0.000 -4.179) 4.199 7.556 ( -0.065 0.000 4.108) 4.108 7.717 ( 0.337 0.000 -18.763) 18.766 8.049 ( 0.034 0.000 -5.643) 5.643 8.080 ( 0.043 0.000 8.762) 8.762 8.106 ( -0.073 0.000 11.363) 11.363 8.882 ( 1.923 0.000 4.340) 4.747 9.107 ( -1.519 0.000 -0.125) 1.524 9.332 ( 0.598 0.000 20.977) 20.985 10.170 ( -0.132 0.000 -4.436) 4.438 11.543 ( 0.122 0.000 1.280) 1.286 11.738 ( -0.268 0.000 -2.901) 2.913 12.020 ( 0.019 0.000 4.251) 4.251 12.412 ( -0.033 0.000 -4.132) 4.132 14.153 ( -0.013 0.000 1.676) 1.676 14.319 ( 0.014 0.000 -1.959) 1.959 14.416 ( 0.211 0.000 0.190) 0.284 14.426 ( -0.167 0.000 0.121) 0.207 14.828 ( 4.444 0.000 -0.386) 4.461 14.830 ( -4.495 0.000 -0.183) 4.499 15.040 ( -0.027 0.000 3.350) 3.351 15.328 ( 0.081 0.000 -3.034) 3.036 17.502 ( -0.114 0.000 3.406) 3.408 17.509 ( 0.855 0.000 0.032) 0.856 17.513 ( -0.835 0.000 -0.063) 0.837 17.787 ( 0.120 0.000 -2.835) 2.837 22.654 ( 0.040 0.000 1.778) 1.778 22.737 ( 0.430 0.000 -0.263) 0.504 22.740 ( -0.502 0.000 -0.332) 0.601 22.815 ( -0.039 0.000 -1.727) 1.728 24.722 ( -0.007 0.000 0.146) 0.146 24.733 ( 0.007 0.000 -0.099) 0.099 24.870 ( 0.000 0.000 0.099) 0.099 24.878 ( 0.000 0.000 -0.087) 0.087 26.490 ( 0.919 0.000 0.738) 1.179 26.522 ( -0.919 0.000 -0.020) 0.919 26.588 ( 0.811 0.000 0.984) 1.276 26.683 ( -0.766 0.000 -1.034) 1.287 39.812 ( -0.018 0.000 1.874) 1.874 39.888 ( -0.123 0.000 0.200) 0.235 39.902 ( 0.123 0.000 -0.109) 0.164 40.031 ( 0.018 0.000 -2.952) 2.952 43.009 ( 0.335 0.000 0.249) 0.417 43.030 ( -0.321 0.000 -0.208) 0.382 43.280 ( 0.336 0.000 0.303) 0.452 43.319 ( -0.344 0.000 -0.534) 0.635 48.564 ( -0.015 0.000 6.736) 6.736 49.122 ( 0.015 0.000 -5.507) 5.507 49.206 ( -4.612 0.000 -0.135) 4.614 49.244 ( 5.047 0.000 -0.440) 5.066 49.314 ( 0.270 0.000 1.660) 1.682 49.399 ( -0.683 0.000 -0.244) 0.725 51.301 ( 1.194 0.000 0.472) 1.283 51.351 ( -1.233 0.000 -0.602) 1.373 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.682 0.000 35.201) 35.207 1.062 ( 24.957 0.000 20.882) 32.541 1.660 ( 28.159 0.000 37.579) 46.959 1.883 ( 0.596 0.000 -1.131) 1.278 2.124 ( -8.121 0.000 -3.850) 8.987 2.201 ( 37.090 0.000 -6.879) 37.723 2.392 ( -6.719 0.000 4.302) 7.978 2.515 ( 3.907 0.000 0.248) 3.915 2.822 ( 10.898 0.000 2.107) 11.100 2.831 ( 2.356 0.000 5.124) 5.640 3.042 ( -0.442 0.000 -2.068) 2.114 3.056 ( 10.900 0.000 11.963) 16.184 3.603 ( -1.254 0.000 -19.217) 19.258 3.751 ( 8.285 0.000 -22.290) 23.779 4.469 ( 0.931 0.000 15.303) 15.331 4.506 ( 1.384 0.000 4.530) 4.736 4.573 ( -3.925 0.000 -2.150) 4.475 4.775 ( 6.640 0.000 8.936) 11.133 4.928 ( 4.332 0.000 14.429) 15.065 5.131 ( 0.554 0.000 -1.171) 1.296 5.236 ( 2.197 0.000 -0.623) 2.284 5.544 ( 7.901 0.000 -0.408) 7.912 5.844 ( -3.246 0.000 3.105) 4.492 5.849 ( -1.392 0.000 -3.729) 3.981 5.942 ( -5.386 0.000 1.091) 5.495 6.178 ( 1.965 0.000 3.022) 3.605 6.213 ( 1.251 0.000 -14.154) 14.209 6.447 ( 0.692 0.000 6.097) 6.136 7.254 ( -0.369 0.000 -24.345) 24.348 7.367 ( 1.158 0.000 -14.856) 14.901 7.472 ( -4.668 0.000 -4.431) 6.436 7.600 ( 0.702 0.000 -0.873) 1.120 7.683 ( -1.138 0.000 -14.810) 14.854 7.921 ( -4.952 0.000 -7.792) 9.232 8.079 ( -0.062 0.000 9.725) 9.725 8.110 ( 0.472 0.000 10.673) 10.684 8.750 ( -5.994 0.000 22.024) 22.826 9.165 ( 2.673 0.000 3.520) 4.420 9.236 ( -7.386 0.000 22.452) 23.636 10.416 ( 7.144 0.000 -25.323) 26.311 11.498 ( -7.269 0.000 4.004) 8.299 11.537 ( -7.924 0.000 1.273) 8.026 12.003 ( -1.465 0.000 4.142) 4.393 12.370 ( -3.794 0.000 -3.672) 5.280 14.152 ( -0.104 0.000 1.647) 1.650 14.315 ( -0.376 0.000 -1.895) 1.932 14.443 ( 1.720 0.000 0.185) 1.730 14.456 ( 2.659 0.000 0.595) 2.725 14.811 ( 1.155 0.000 0.800) 1.404 14.994 ( 6.064 0.000 -7.134) 9.363 15.051 ( 1.801 0.000 1.054) 2.087 15.320 ( -0.888 0.000 -2.824) 2.961 17.491 ( -0.530 0.000 -1.041) 1.168 17.500 ( -0.112 0.000 3.289) 3.291 17.539 ( 1.596 0.000 0.621) 1.713 17.789 ( 0.043 0.000 -2.768) 2.769 22.654 ( -0.076 0.000 1.798) 1.800 22.658 ( -1.583 0.000 3.382) 3.734 22.812 ( -0.227 0.000 -1.743) 1.758 22.815 ( 2.600 0.000 -3.271) 4.178 24.723 ( 0.158 0.000 0.149) 0.217 24.736 ( 0.263 0.000 -0.108) 0.284 24.869 ( -0.087 0.000 0.097) 0.130 24.877 ( -0.108 0.000 -0.085) 0.137 26.487 ( -1.753 0.000 -1.362) 2.219 26.512 ( 0.663 0.000 1.174) 1.348 26.614 ( 1.262 0.000 2.159) 2.501 26.662 ( -0.759 0.000 -1.427) 1.616 39.811 ( -0.093 0.000 1.872) 1.874 39.862 ( 1.391 0.000 2.242) 2.638 40.029 ( -0.165 0.000 -2.899) 2.904 40.068 ( 6.888 0.000 -6.568) 9.518 43.004 ( -0.722 0.000 0.475) 0.864 43.015 ( -0.900 0.000 -0.654) 1.112 43.284 ( 0.050 0.000 0.557) 0.559 43.307 ( -0.620 0.000 -0.827) 1.033 48.563 ( -0.051 0.000 6.682) 6.683 49.079 ( -7.202 0.000 10.264) 12.539 49.121 ( -0.139 0.000 -5.508) 5.510 49.159 ( -5.703 0.000 2.633) 6.281 49.345 ( -2.429 0.000 -1.128) 2.678 49.455 ( 10.568 0.000 -2.515) 10.863 51.092 ( -2.956 0.000 10.775) 11.174 51.584 ( 6.116 0.000 -9.543) 11.335 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 4.399 0.000 36.225) 36.491 1.224 ( 5.825 0.000 16.755) 17.738 1.868 ( -2.510 0.000 0.632) 2.589 1.966 ( -7.061 0.000 -2.339) 7.438 2.303 ( -1.184 0.000 4.276) 4.436 2.385 ( 28.355 0.000 7.285) 29.276 2.529 ( 1.919 0.000 -1.444) 2.402 2.577 ( 1.548 0.000 -1.140) 1.923 3.004 ( 10.682 0.000 18.950) 21.753 3.011 ( 2.870 0.000 1.465) 3.222 3.061 ( 6.946 0.000 -7.946) 10.554 3.534 ( 22.178 0.000 -15.080) 26.819 3.560 ( -2.874 0.000 -18.665) 18.885 4.002 ( 19.011 0.000 -21.970) 29.053 4.489 ( 1.183 0.000 16.555) 16.597 4.533 ( 5.457 0.000 5.295) 7.604 4.541 ( 1.646 0.000 8.334) 8.495 4.961 ( 8.972 0.000 10.290) 13.652 5.103 ( 13.529 0.000 18.062) 22.567 5.146 ( 0.914 0.000 -2.095) 2.285 5.301 ( 4.191 0.000 -0.677) 4.245 5.707 ( 6.867 0.000 1.121) 6.958 5.747 ( -6.028 0.000 0.161) 6.030 5.790 ( -4.750 0.000 4.065) 6.252 5.828 ( -5.478 0.000 1.606) 5.709 6.225 ( 2.497 0.000 5.486) 6.027 6.231 ( 1.111 0.000 -10.561) 10.619 6.450 ( -0.511 0.000 4.969) 4.996 7.249 ( -0.148 0.000 -24.507) 24.507 7.374 ( -3.544 0.000 -5.208) 6.299 7.392 ( 1.213 0.000 -15.390) 15.438 7.634 ( 6.181 0.000 -18.259) 19.276 7.739 ( 3.364 0.000 -5.454) 6.408 7.892 ( 2.459 0.000 -10.379) 10.666 8.080 ( 0.183 0.000 10.437) 10.439 8.120 ( 0.427 0.000 10.579) 10.587 8.665 ( -3.059 0.000 24.012) 24.206 9.023 ( -12.230 0.000 21.994) 25.165 9.202 ( -0.631 0.000 4.804) 4.845 10.268 ( -19.874 0.000 -21.713) 29.435 11.382 ( -1.231 0.000 2.071) 2.409 11.463 ( -2.541 0.000 -0.385) 2.570 11.969 ( -1.802 0.000 3.674) 4.092 12.270 ( -5.701 0.000 -2.376) 6.176 14.149 ( -0.132 0.000 1.598) 1.603 14.305 ( -0.527 0.000 -1.766) 1.843 14.487 ( 2.317 0.000 0.257) 2.331 14.509 ( 2.435 0.000 0.807) 2.565 14.845 ( 1.899 0.000 0.763) 2.046 15.035 ( 0.559 0.000 1.669) 1.760 15.106 ( 1.961 0.000 -5.643) 5.974 15.294 ( -1.638 0.000 -2.428) 2.929 17.498 ( -0.042 0.000 3.183) 3.183 17.502 ( 1.531 0.000 -1.955) 2.483 17.566 ( 1.022 0.000 0.693) 1.234 17.788 ( -0.059 0.000 -2.784) 2.784 22.651 ( -0.143 0.000 1.788) 1.794 22.662 ( 1.334 0.000 2.223) 2.592 22.807 ( -0.270 0.000 -1.725) 1.746 22.860 ( 2.036 0.000 -3.428) 3.987 24.728 ( 0.235 0.000 0.166) 0.288 24.743 ( 0.373 0.000 -0.139) 0.398 24.867 ( -0.130 0.000 0.090) 0.158 24.874 ( -0.167 0.000 -0.078) 0.184 26.458 ( -0.990 0.000 -2.486) 2.676 26.518 ( -0.132 0.000 0.987) 0.996 26.631 ( 0.558 0.000 3.542) 3.586 26.659 ( 0.365 0.000 -1.552) 1.594 39.809 ( -0.114 0.000 1.893) 1.896 39.906 ( 2.344 0.000 2.302) 3.285 40.025 ( -0.242 0.000 -2.802) 2.812 40.146 ( 1.606 0.000 -3.857) 4.178 42.984 ( -1.078 0.000 0.541) 1.207 42.999 ( -0.601 0.000 -1.143) 1.291 43.282 ( -0.212 0.000 0.657) 0.691 43.297 ( -0.356 0.000 -1.026) 1.086 48.562 ( -0.056 0.000 6.576) 6.576 48.971 ( -3.003 0.000 10.170) 10.604 49.117 ( -0.211 0.000 -5.530) 5.534 49.117 ( -0.117 0.000 0.882) 0.890 49.255 ( -5.148 0.000 0.314) 5.157 49.702 ( 12.300 0.000 -6.783) 14.046 51.118 ( 3.594 0.000 9.088) 9.772 51.647 ( 1.427 0.000 -6.648) 6.800 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 5.785 0.000 37.636) 38.078 1.447 ( 14.516 0.000 -17.158) 22.475 1.797 ( -3.561 0.000 1.362) 3.813 1.852 ( -4.003 0.000 -0.824) 4.087 2.329 ( 2.730 0.000 2.272) 3.552 2.547 ( 1.167 0.000 0.585) 1.306 2.578 ( -1.145 0.000 -1.695) 2.045 2.678 ( 2.436 0.000 -5.597) 6.104 3.015 ( -0.224 0.000 2.638) 2.647 3.198 ( 6.517 0.000 8.981) 11.096 3.230 ( 6.887 0.000 -18.361) 19.610 3.495 ( -3.182 0.000 -14.989) 15.323 3.684 ( 2.911 0.000 13.837) 14.139 4.373 ( 10.904 0.000 -14.911) 18.472 4.516 ( 1.336 0.000 22.274) 22.314 4.562 ( 0.359 0.000 8.807) 8.814 4.792 ( 13.617 0.000 -3.710) 14.114 5.116 ( 4.008 0.000 14.018) 14.579 5.165 ( 0.868 0.000 -3.526) 3.632 5.305 ( 3.103 0.000 9.167) 9.678 5.397 ( 4.994 0.000 0.163) 4.997 5.630 ( -4.943 0.000 -1.413) 5.141 5.722 ( -4.790 0.000 0.345) 4.803 5.778 ( -0.762 0.000 -2.813) 2.914 5.838 ( 15.091 0.000 12.439) 19.556 6.252 ( -0.046 0.000 -4.399) 4.399 6.277 ( 2.606 0.000 7.423) 7.868 6.426 ( -1.796 0.000 3.803) 4.206 7.248 ( 0.061 0.000 -24.594) 24.594 7.371 ( 3.493 0.000 -8.266) 8.974 7.413 ( 0.715 0.000 -15.916) 15.932 7.691 ( -4.683 0.000 -0.045) 4.683 7.861 ( 11.037 0.000 -20.298) 23.104 8.087 ( 0.466 0.000 10.794) 10.804 8.110 ( 18.078 0.000 -8.045) 19.787 8.125 ( -0.034 0.000 10.835) 10.835 8.614 ( -3.702 0.000 14.259) 14.731 8.776 ( -8.013 0.000 18.597) 20.250 9.154 ( -3.302 0.000 7.080) 7.812 9.723 ( -31.694 0.000 -15.709) 35.374 11.396 ( 1.416 0.000 0.092) 1.420 11.429 ( -0.937 0.000 -0.401) 1.019 11.937 ( -1.229 0.000 3.055) 3.293 12.161 ( -4.495 0.000 -1.307) 4.681 14.147 ( -0.084 0.000 1.558) 1.560 14.295 ( -0.368 0.000 -1.652) 1.693 14.526 ( 1.459 0.000 0.399) 1.512 14.549 ( 1.411 0.000 0.616) 1.540 14.878 ( 1.235 0.000 0.641) 1.391 15.044 ( 0.352 0.000 2.509) 2.534 15.128 ( 0.475 0.000 -4.532) 4.557 15.261 ( -1.343 0.000 -2.074) 2.471 17.498 ( 0.051 0.000 3.150) 3.150 17.542 ( 2.011 0.000 -1.439) 2.473 17.578 ( 0.178 0.000 -0.196) 0.265 17.786 ( -0.127 0.000 -2.870) 2.873 22.649 ( -0.127 0.000 1.755) 1.760 22.693 ( 1.339 0.000 1.542) 2.042 22.802 ( -0.155 0.000 -1.684) 1.691 22.895 ( 1.309 0.000 -3.604) 3.834 24.732 ( 0.176 0.000 0.189) 0.258 24.749 ( 0.267 0.000 -0.176) 0.320 24.864 ( -0.098 0.000 0.083) 0.128 24.871 ( -0.129 0.000 -0.070) 0.147 26.447 ( -0.100 0.000 -2.855) 2.857 26.508 ( -0.731 0.000 0.545) 0.912 26.640 ( 0.350 0.000 3.968) 3.983 26.670 ( 0.622 0.000 -0.979) 1.160 39.807 ( -0.068 0.000 1.925) 1.926 39.945 ( 1.380 0.000 2.343) 2.719 40.020 ( -0.176 0.000 -2.720) 2.726 40.158 ( 0.022 0.000 -2.242) 2.242 42.965 ( -0.830 0.000 0.400) 0.921 42.992 ( -0.128 0.000 -1.162) 1.169 43.277 ( -0.339 0.000 0.537) 0.635 43.294 ( 0.025 0.000 -0.907) 0.907 48.561 ( -0.029 0.000 6.480) 6.481 48.941 ( -0.397 0.000 7.855) 7.865 49.113 ( -0.160 0.000 -5.559) 5.561 49.125 ( 0.163 0.000 0.549) 0.573 49.164 ( -3.088 0.000 1.811) 3.580 49.911 ( 7.588 0.000 -10.248) 12.751 51.191 ( 3.012 0.000 8.457) 8.977 51.665 ( 0.561 0.000 -4.451) 4.486 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 2.938 0.000 38.691) 38.803 1.651 ( 1.248 0.000 -29.510) 29.536 1.759 ( 0.381 0.000 0.986) 1.057 1.810 ( -0.035 0.000 -0.049) 0.060 2.367 ( -0.006 0.000 1.950) 1.950 2.556 ( -0.237 0.000 -2.332) 2.344 2.577 ( -0.675 0.000 6.553) 6.588 2.626 ( -0.813 0.000 -19.162) 19.180 3.012 ( -0.034 0.000 3.143) 3.143 3.261 ( 1.264 0.000 -0.524) 1.368 3.290 ( -1.744 0.000 -29.944) 29.995 3.463 ( 0.762 0.000 -6.942) 6.983 3.769 ( 1.962 0.000 42.403) 42.449 4.465 ( 0.285 0.000 -10.447) 10.451 4.522 ( -1.087 0.000 24.718) 24.742 4.573 ( 1.015 0.000 9.132) 9.189 4.950 ( -0.531 0.000 -9.882) 9.896 5.040 ( 0.015 0.000 16.318) 16.318 5.173 ( -0.268 0.000 -4.337) 4.345 5.427 ( -0.318 0.000 4.027) 4.040 5.471 ( 0.363 0.000 3.269) 3.289 5.565 ( -0.419 0.000 -4.456) 4.475 5.666 ( 0.438 0.000 -0.278) 0.519 5.714 ( -0.081 0.000 -11.839) 11.839 6.103 ( -1.953 0.000 11.285) 11.452 6.209 ( 1.325 0.000 3.325) 3.579 6.325 ( 1.778 0.000 10.505) 10.655 6.385 ( -1.868 0.000 0.845) 2.050 7.251 ( 0.202 0.000 -24.454) 24.455 7.419 ( -0.104 0.000 -16.245) 16.245 7.468 ( 1.134 0.000 -11.774) 11.828 7.590 ( -0.278 0.000 1.774) 1.795 8.014 ( -0.769 0.000 -10.439) 10.468 8.096 ( 0.381 0.000 10.477) 10.484 8.120 ( -0.388 0.000 11.412) 11.418 8.335 ( -0.393 0.000 0.324) 0.509 8.476 ( -1.802 0.000 11.977) 12.112 8.951 ( 4.219 0.000 -6.121) 7.434 9.126 ( 5.467 0.000 5.145) 7.507 9.142 ( -7.807 0.000 -2.708) 8.263 11.415 ( -0.131 0.000 -0.084) 0.155 11.418 ( 0.072 0.000 -0.432) 0.438 11.924 ( 0.033 0.000 2.772) 2.772 12.111 ( -0.052 0.000 -0.935) 0.936 14.146 ( 0.012 0.000 1.549) 1.549 14.291 ( -0.012 0.000 -1.615) 1.615 14.542 ( 0.097 0.000 0.517) 0.526 14.563 ( -0.091 0.000 0.485) 0.493 14.891 ( -0.085 0.000 0.515) 0.522 15.049 ( 0.127 0.000 2.783) 2.786 15.132 ( 0.011 0.000 -4.201) 4.201 15.247 ( -0.013 0.000 -1.929) 1.929 17.500 ( 0.113 0.000 3.208) 3.210 17.559 ( -0.889 0.000 -0.015) 0.889 17.585 ( 0.867 0.000 -1.702) 1.910 17.784 ( -0.119 0.000 -2.979) 2.981 22.647 ( -0.040 0.000 1.717) 1.718 22.708 ( 0.022 0.000 1.373) 1.374 22.801 ( 0.039 0.000 -1.644) 1.644 22.909 ( 0.009 0.000 -3.686) 3.686 24.734 ( 0.007 0.000 0.203) 0.203 24.752 ( -0.007 0.000 -0.196) 0.196 24.863 ( -0.000 0.000 0.079) 0.079 24.870 ( 0.000 0.000 -0.065) 0.065 26.449 ( 0.168 0.000 -2.939) 2.943 26.492 ( -0.797 0.000 0.229) 0.830 26.644 ( -0.053 0.000 4.121) 4.122 26.683 ( 0.642 0.000 -0.634) 0.903 39.807 ( 0.017 0.000 1.949) 1.949 39.960 ( 0.182 0.000 2.430) 2.437 40.018 ( -0.017 0.000 -2.699) 2.699 40.156 ( -0.173 0.000 -1.971) 1.978 42.952 ( -0.344 0.000 0.132) 0.369 42.994 ( 0.356 0.000 -0.928) 0.994 43.270 ( -0.323 0.000 0.304) 0.443 43.298 ( 0.332 0.000 -0.652) 0.732 48.561 ( 0.013 0.000 6.450) 6.450 48.943 ( 0.383 0.000 7.594) 7.603 49.107 ( -0.358 0.000 -0.958) 1.023 49.111 ( -0.013 0.000 -5.579) 5.579 49.152 ( 0.406 0.000 3.609) 3.632 49.987 ( -0.315 0.000 -11.875) 11.879 51.221 ( -0.344 0.000 8.216) 8.223 51.673 ( 0.221 0.000 -3.482) 3.489 ======================= Grid point 69 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -1.915 0.000 36.986) 37.036 1.482 ( -13.704 0.000 -12.754) 18.721 1.812 ( 4.182 0.000 2.264) 4.755 1.851 ( 4.099 0.000 -0.504) 4.130 2.329 ( -2.728 0.000 2.163) 3.482 2.535 ( -1.247 0.000 -2.075) 2.421 2.571 ( 0.934 0.000 -1.815) 2.042 2.664 ( -0.990 0.000 -5.422) 5.511 3.014 ( 0.153 0.000 2.217) 2.222 3.192 ( -6.955 0.000 -21.805) 22.888 3.226 ( -6.544 0.000 9.229) 11.314 3.498 ( 1.987 0.000 -12.629) 12.784 3.752 ( -1.157 0.000 13.994) 14.041 4.387 ( -10.103 0.000 -14.670) 17.812 4.488 ( -1.888 0.000 18.670) 18.766 4.586 ( -0.008 0.000 11.700) 11.700 4.758 ( -15.799 0.000 -3.335) 16.147 5.117 ( -4.016 0.000 14.655) 15.195 5.157 ( -1.076 0.000 -3.553) 3.713 5.330 ( 0.936 0.000 10.538) 10.579 5.402 ( -5.025 0.000 0.622) 5.064 5.626 ( 5.049 0.000 -2.140) 5.483 5.734 ( 5.122 0.000 1.163) 5.252 5.738 ( -6.654 0.000 2.137) 6.988 5.824 ( -11.545 0.000 6.487) 13.243 6.262 ( 0.379 0.000 -6.360) 6.371 6.312 ( -2.448 0.000 8.076) 8.439 6.388 ( 1.557 0.000 2.818) 3.220 7.256 ( 0.273 0.000 -24.209) 24.211 7.384 ( -4.200 0.000 -7.908) 8.955 7.408 ( -0.960 0.000 -16.169) 16.198 7.692 ( 4.168 0.000 -0.593) 4.210 7.830 ( -10.787 0.000 -20.036) 22.755 8.096 ( -0.448 0.000 9.215) 9.226 8.115 ( 0.024 0.000 12.416) 12.416 8.162 ( -15.676 0.000 -6.757) 17.070 8.554 ( 4.450 0.000 12.487) 13.257 8.771 ( 3.866 0.000 18.577) 18.975 9.164 ( 3.362 0.000 7.373) 8.104 9.733 ( 32.940 0.000 -15.151) 36.257 11.396 ( -1.322 0.000 0.095) 1.325 11.427 ( 0.816 0.000 -0.441) 0.928 11.938 ( 1.250 0.000 3.100) 3.343 12.159 ( 4.454 0.000 -1.356) 4.656 14.147 ( 0.101 0.000 1.576) 1.580 14.295 ( 0.351 0.000 -1.671) 1.707 14.530 ( -1.354 0.000 0.514) 1.449 14.546 ( -1.520 0.000 0.512) 1.604 14.875 ( -1.344 0.000 0.529) 1.445 15.048 ( -0.146 0.000 2.894) 2.898 15.128 ( -0.474 0.000 -4.749) 4.773 15.261 ( 1.284 0.000 -2.118) 2.477 17.503 ( 0.108 0.000 3.322) 3.324 17.527 ( -1.795 0.000 -0.698) 1.926 17.591 ( -0.423 0.000 -0.932) 1.024 17.782 ( -0.041 0.000 -3.047) 3.047 22.647 ( 0.070 0.000 1.696) 1.698 22.694 ( -1.276 0.000 1.575) 2.027 22.804 ( 0.211 0.000 -1.626) 1.639 22.895 ( -1.304 0.000 -3.629) 3.856 24.732 ( -0.166 0.000 0.199) 0.260 24.749 ( -0.276 0.000 -0.186) 0.333 24.864 ( 0.097 0.000 0.082) 0.128 24.871 ( 0.129 0.000 -0.069) 0.147 26.453 ( 0.385 0.000 -2.413) 2.444 26.480 ( -0.362 0.000 -0.354) 0.506 26.638 ( -0.536 0.000 3.937) 3.973 26.693 ( 0.295 0.000 -0.505) 0.584 39.808 ( 0.092 0.000 1.952) 1.954 39.951 ( -1.129 0.000 2.609) 2.843 40.020 ( 0.153 0.000 -2.746) 2.751 40.152 ( -0.260 0.000 -2.505) 2.518 42.952 ( 0.347 0.000 -0.104) 0.362 43.005 ( 0.633 0.000 -0.665) 0.918 43.265 ( -0.126 0.000 0.074) 0.147 43.306 ( 0.450 0.000 -0.427) 0.621 48.562 ( 0.047 0.000 6.502) 6.502 48.953 ( 0.812 0.000 8.232) 8.272 49.113 ( 0.141 0.000 -5.580) 5.582 49.128 ( 1.570 0.000 -0.661) 1.704 49.165 ( 1.631 0.000 3.230) 3.618 49.899 ( -8.087 0.000 -10.783) 13.478 51.179 ( -3.507 0.000 8.038) 8.770 51.673 ( -0.265 0.000 -4.081) 4.090 ======================= Grid point 70 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -4.496 0.000 34.650) 34.940 1.262 ( -6.402 0.000 17.656) 18.781 1.882 ( 1.796 0.000 0.140) 1.801 1.973 ( 7.524 0.000 -0.184) 7.527 2.308 ( 1.799 0.000 4.255) 4.620 2.441 ( -23.822 0.000 5.912) 24.544 2.506 ( -3.533 0.000 -0.644) 3.591 2.566 ( -1.764 0.000 -1.373) 2.235 3.007 ( -4.529 0.000 -0.359) 4.543 3.032 ( -9.914 0.000 18.056) 20.598 3.038 ( -4.302 0.000 -9.445) 10.378 3.539 ( 2.081 0.000 -17.206) 17.331 3.544 ( -28.047 0.000 -12.875) 30.861 4.028 ( -18.903 0.000 -22.418) 29.324 4.454 ( -1.377 0.000 14.094) 14.162 4.507 ( -2.887 0.000 4.851) 5.645 4.569 ( -1.555 0.000 9.861) 9.983 4.981 ( -7.373 0.000 10.875) 13.139 5.137 ( -0.815 0.000 -2.164) 2.313 5.150 ( -14.677 0.000 22.372) 26.757 5.306 ( -4.175 0.000 -0.362) 4.190 5.655 ( -6.534 0.000 -1.471) 6.698 5.741 ( 5.786 0.000 -0.043) 5.787 5.761 ( 5.772 0.000 5.542) 8.002 5.844 ( 5.498 0.000 2.260) 5.945 6.243 ( -1.949 0.000 -14.663) 14.792 6.259 ( -2.628 0.000 4.939) 5.594 6.415 ( 0.850 0.000 5.085) 5.156 7.261 ( 0.268 0.000 -24.104) 24.105 7.367 ( 3.038 0.000 -5.031) 5.877 7.383 ( -1.405 0.000 -15.620) 15.683 7.636 ( -3.955 0.000 -16.068) 16.547 7.746 ( -3.212 0.000 -10.963) 11.424 7.920 ( -5.415 0.000 -5.944) 8.041 8.085 ( -0.476 0.000 8.876) 8.889 8.116 ( -0.111 0.000 12.118) 12.118 8.625 ( 3.998 0.000 22.711) 23.060 8.979 ( 11.816 0.000 20.522) 23.680 9.214 ( 1.111 0.000 5.842) 5.947 10.286 ( 19.529 0.000 -20.675) 28.440 11.386 ( 1.497 0.000 2.225) 2.682 11.460 ( 2.564 0.000 -0.537) 2.619 11.969 ( 1.755 0.000 3.699) 4.095 12.269 ( 5.777 0.000 -2.404) 6.257 14.150 ( 0.133 0.000 1.625) 1.630 14.304 ( 0.527 0.000 -1.793) 1.869 14.490 ( -2.377 0.000 0.437) 2.417 14.505 ( -2.399 0.000 0.637) 2.483 14.841 ( -1.891 0.000 0.592) 1.981 15.043 ( -0.429 0.000 2.527) 2.563 15.106 ( -2.073 0.000 -6.218) 6.554 15.292 ( 1.578 0.000 -2.541) 2.991 17.499 ( -0.751 0.000 -0.594) 0.957 17.504 ( 0.042 0.000 3.427) 3.427 17.568 ( -1.790 0.000 -0.652) 1.905 17.782 ( 0.060 0.000 -3.034) 3.034 22.649 ( 0.142 0.000 1.705) 1.710 22.665 ( -1.296 0.000 2.288) 2.629 22.809 ( 0.271 0.000 -1.642) 1.664 22.860 ( -2.038 0.000 -3.475) 4.028 24.728 ( -0.235 0.000 0.181) 0.297 24.742 ( -0.373 0.000 -0.153) 0.403 24.866 ( 0.130 0.000 0.090) 0.158 24.874 ( 0.166 0.000 -0.078) 0.184 26.471 ( 1.244 0.000 -0.745) 1.450 26.477 ( 0.256 0.000 -1.381) 1.405 26.621 ( -1.103 0.000 3.188) 3.374 26.693 ( -0.218 0.000 -0.584) 0.623 39.810 ( 0.113 0.000 1.930) 1.934 39.915 ( -2.375 0.000 2.633) 3.546 40.024 ( 0.243 0.000 -2.839) 2.849 40.137 ( -1.576 0.000 -4.188) 4.475 42.967 ( 1.088 0.000 -0.170) 1.102 43.018 ( 0.590 0.000 -0.448) 0.741 43.266 ( 0.198 0.000 -0.033) 0.201 43.314 ( 0.365 0.000 -0.318) 0.484 48.563 ( 0.054 0.000 6.606) 6.606 48.986 ( 2.759 0.000 10.225) 10.590 49.117 ( 0.213 0.000 -5.560) 5.564 49.142 ( 0.613 0.000 1.755) 1.859 49.242 ( 5.087 0.000 0.170) 5.090 49.683 ( -12.498 0.000 -7.520) 14.586 51.100 ( -3.582 0.000 8.535) 9.256 51.658 ( -1.424 0.000 -6.138) 6.301 ======================= Grid point 71 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -4.630 0.000 33.772) 34.088 1.085 ( -22.847 0.000 23.217) 32.574 1.759 ( -32.151 0.000 30.670) 44.433 1.883 ( -0.922 0.000 -1.602) 1.848 2.138 ( 8.338 0.000 -2.168) 8.615 2.153 ( -35.551 0.000 -3.860) 35.760 2.401 ( 5.509 0.000 2.990) 6.268 2.505 ( -2.855 0.000 1.367) 3.165 2.816 ( -10.619 0.000 1.054) 10.671 2.861 ( -4.649 0.000 4.432) 6.423 3.039 ( 0.654 0.000 -2.498) 2.582 3.039 ( -9.131 0.000 14.381) 17.035 3.581 ( 1.926 0.000 -19.059) 19.157 3.752 ( -9.142 0.000 -23.045) 24.793 4.437 ( -0.243 0.000 11.702) 11.705 4.532 ( -1.891 0.000 7.521) 7.755 4.563 ( 3.477 0.000 -2.830) 4.483 4.812 ( -7.586 0.000 10.512) 12.963 4.963 ( -4.348 0.000 16.942) 17.491 5.125 ( -0.323 0.000 -1.250) 1.291 5.239 ( -2.306 0.000 -0.423) 2.344 5.503 ( -6.458 0.000 -2.936) 7.094 5.840 ( 3.554 0.000 2.873) 4.570 5.852 ( 2.323 0.000 -0.584) 2.395 5.948 ( 4.508 0.000 1.641) 4.798 6.201 ( -1.731 0.000 -18.799) 18.879 6.207 ( -2.526 0.000 2.466) 3.530 6.423 ( 0.193 0.000 6.398) 6.400 7.265 ( 0.076 0.000 -24.342) 24.342 7.357 ( -0.930 0.000 -14.752) 14.781 7.478 ( 5.660 0.000 -0.446) 5.677 7.606 ( -1.934 0.000 -7.083) 7.343 7.682 ( 0.836 0.000 -12.487) 12.515 7.918 ( 4.697 0.000 -6.740) 8.215 8.079 ( -0.107 0.000 8.589) 8.590 8.111 ( -0.325 0.000 11.777) 11.781 8.725 ( 6.339 0.000 20.598) 21.551 9.147 ( 2.021 0.000 9.268) 9.486 9.241 ( 4.191 0.000 16.865) 17.377 10.423 ( -7.609 0.000 -24.757) 25.900 11.497 ( 6.062 0.000 3.469) 6.985 11.543 ( 9.061 0.000 1.852) 9.248 12.003 ( 1.435 0.000 4.105) 4.348 12.371 ( 3.846 0.000 -3.651) 5.303 14.152 ( 0.086 0.000 1.667) 1.669 14.314 ( 0.395 0.000 -1.915) 1.955 14.444 ( -1.931 0.000 0.411) 1.974 14.454 ( -2.464 0.000 0.352) 2.489 14.808 ( -1.084 0.000 0.653) 1.266 15.002 ( -6.680 0.000 -7.563) 10.090 15.049 ( -1.351 0.000 1.743) 2.205 15.318 ( 0.943 0.000 -2.935) 3.082 17.500 ( 0.594 0.000 -0.143) 0.611 17.504 ( -0.050 0.000 3.462) 3.462 17.529 ( -1.640 0.000 -0.275) 1.663 17.784 ( 0.126 0.000 -2.945) 2.948 22.652 ( 0.131 0.000 1.739) 1.744 22.660 ( 1.498 0.000 3.404) 3.719 22.814 ( 0.172 0.000 -1.685) 1.693 22.815 ( -2.577 0.000 -3.264) 4.159 24.724 ( -0.167 0.000 0.159) 0.231 24.736 ( -0.254 0.000 -0.118) 0.280 24.869 ( 0.087 0.000 0.097) 0.130 24.877 ( 0.108 0.000 -0.085) 0.137 26.478 ( 0.327 0.000 -0.177) 0.372 26.510 ( 1.815 0.000 -0.442) 1.868 26.595 ( -1.277 0.000 1.657) 2.092 26.688 ( -0.188 0.000 -0.497) 0.532 39.812 ( 0.068 0.000 1.898) 1.900 39.868 ( -1.699 0.000 2.365) 2.912 40.028 ( 0.191 0.000 -2.926) 2.932 40.063 ( -6.597 0.000 -6.703) 9.405 42.992 ( 1.205 0.000 -0.025) 1.205 43.027 ( 0.374 0.000 -0.183) 0.416 43.272 ( 0.415 0.000 0.053) 0.418 43.320 ( 0.148 0.000 -0.313) 0.346 48.564 ( 0.029 0.000 6.704) 6.704 49.087 ( 7.405 0.000 10.701) 13.014 49.121 ( 0.161 0.000 -5.529) 5.532 49.183 ( 4.558 0.000 2.535) 5.216 49.332 ( 1.827 0.000 -1.437) 2.325 49.440 ( -9.331 0.000 -2.646) 9.698 51.080 ( 3.526 0.000 10.572) 11.144 51.592 ( -6.367 0.000 -9.241) 11.222 ======================= Grid point 72 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -6.551 6.262 13.102) 15.931 1.256 ( 0.569 30.886 18.153) 35.830 1.505 ( 2.327 3.346 -8.375) 9.314 1.780 ( -3.050 11.971 46.569) 48.180 1.925 ( -0.270 4.932 -0.329) 4.951 2.259 ( -5.983 -4.956 -3.151) 8.384 2.272 ( 5.863 -5.602 -2.476) 8.478 2.602 ( -0.436 -0.434 8.339) 8.361 2.774 ( 0.232 23.076 5.252) 23.667 2.918 ( 0.207 -5.684 10.655) 12.078 2.983 ( 0.202 -1.844 -1.153) 2.184 3.186 ( -0.609 20.964 1.190) 21.007 3.705 ( 0.741 9.288 -17.392) 19.731 3.793 ( -0.131 13.907 -16.335) 21.454 4.486 ( 1.889 1.558 3.990) 4.682 4.523 ( -1.545 3.957 9.803) 10.684 4.610 ( 0.558 3.105 2.634) 4.110 4.728 ( -0.811 -1.092 13.411) 13.480 4.948 ( -2.050 3.228 2.450) 4.541 5.081 ( 0.559 -3.245 3.149) 4.557 5.282 ( 0.007 4.305 -3.140) 5.329 5.491 ( 0.925 4.193 -4.303) 6.079 5.819 ( -0.001 -5.413 4.496) 7.036 5.868 ( -0.295 -0.778 -4.034) 4.119 5.931 ( -0.037 -7.426 1.941) 7.676 6.025 ( 0.164 -10.006 -16.238) 19.074 6.275 ( -3.650 0.424 0.697) 3.740 6.329 ( 3.735 -6.174 5.667) 9.175 7.179 ( 0.676 -9.619 -19.222) 21.505 7.223 ( -0.427 -7.415 -19.323) 20.701 7.582 ( 0.974 1.890 2.868) 3.570 7.614 ( -1.477 3.932 -8.339) 9.337 7.720 ( -0.090 0.388 -13.026) 13.032 7.900 ( 0.361 -5.651 2.055) 6.024 8.087 ( 0.550 0.750 4.813) 4.902 8.357 ( -0.275 13.414 -1.022) 13.455 8.875 ( 1.870 -1.110 3.062) 3.755 9.099 ( -1.581 -1.030 0.691) 2.009 9.286 ( 0.216 -4.434 18.242) 18.775 9.874 ( -0.051 -24.218 10.885) 26.552 11.546 ( 0.121 -8.804 9.347) 12.841 11.571 ( -0.213 2.275 1.026) 2.505 12.013 ( 0.002 -0.326 4.166) 4.179 12.391 ( -0.032 -2.063 -3.780) 4.306 14.275 ( -0.069 6.972 -5.724) 9.021 14.323 ( 0.006 0.414 -1.665) 1.716 14.420 ( 0.243 0.341 -0.017) 0.419 14.423 ( -0.194 -0.354 0.146) 0.429 14.820 ( 0.639 -0.564 0.636) 1.063 14.829 ( -0.590 -0.047 -0.141) 0.608 15.045 ( -0.092 1.536 2.169) 2.659 15.319 ( 0.085 -0.931 -3.153) 3.288 17.503 ( 0.697 -0.206 0.056) 0.729 17.509 ( -0.698 -0.332 -0.137) 0.785 17.542 ( -0.094 3.485 3.650) 5.047 17.815 ( 0.116 1.329 -1.403) 1.936 22.618 ( -0.029 -0.588 2.323) 2.397 22.728 ( 0.044 -1.010 -0.590) 1.170 22.843 ( -0.036 2.492 -1.097) 2.723 22.873 ( -0.015 6.937 -5.144) 8.636 24.725 ( -0.007 0.311 0.138) 0.340 24.735 ( 0.006 0.209 -0.075) 0.222 24.869 ( 0.002 -0.106 0.089) 0.139 24.876 ( -0.001 -0.193 -0.078) 0.208 26.492 ( 0.810 0.218 0.648) 1.060 26.520 ( -0.828 -0.147 -0.031) 0.842 26.581 ( 0.724 -0.614 0.747) 1.208 26.663 ( -0.691 -1.631 -1.237) 2.161 39.824 ( -0.135 0.471 1.284) 1.375 39.885 ( 0.136 -0.378 0.242) 0.469 40.054 ( 0.034 2.282 -3.007) 3.775 40.060 ( -0.040 10.620 -10.934) 15.243 43.010 ( 0.302 0.150 0.183) 0.384 43.028 ( -0.283 -0.150 -0.233) 0.396 43.280 ( 0.300 0.003 0.257) 0.395 43.315 ( -0.311 -0.362 -0.502) 0.693 48.584 ( -0.016 2.081 7.243) 7.536 49.020 ( -0.125 -5.519 -1.053) 5.620 49.242 ( -0.233 0.343 -0.471) 0.628 49.303 ( 0.277 -1.095 1.739) 2.074 49.357 ( 0.025 3.365 -2.763) 4.354 49.411 ( 0.009 7.803 -0.966) 7.862 50.379 ( -0.050 -59.502 54.438) 80.647 51.185 ( 0.104 -11.530 -1.149) 11.587 ======================= Grid point 73 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 24.823 9.577 13.638) 29.898 1.335 ( 10.473 33.333 13.069) 37.303 1.776 ( 16.718 12.808 30.162) 36.787 1.930 ( 1.187 3.952 -1.043) 4.257 2.112 ( -2.900 -3.649 0.223) 4.666 2.194 ( 39.225 -0.715 -6.447) 39.758 2.324 ( -0.011 -2.531 0.307) 2.550 2.636 ( 3.723 5.233 3.201) 7.176 2.753 ( -0.423 8.677 3.411) 9.333 2.904 ( 1.169 0.801 14.076) 14.147 3.002 ( 0.956 -3.499 0.687) 3.692 3.277 ( 10.261 19.165 -0.804) 21.754 3.722 ( -0.572 11.256 -18.434) 21.607 3.846 ( 5.806 9.720 -19.137) 22.235 4.490 ( -1.225 0.454 5.065) 5.231 4.530 ( 1.600 3.314 8.498) 9.261 4.616 ( -2.484 4.522 2.597) 5.776 4.773 ( 7.387 0.037 8.577) 11.320 4.942 ( 3.431 1.629 13.236) 13.771 5.109 ( 1.657 -1.711 1.804) 2.988 5.283 ( 0.550 3.186 -1.471) 3.553 5.575 ( 6.486 2.472 -2.637) 7.425 5.793 ( -2.481 -4.711 2.836) 6.033 5.844 ( -1.706 -0.676 -2.816) 3.361 5.891 ( -3.961 -5.183 1.414) 6.675 6.040 ( 1.188 -10.668 -12.196) 16.247 6.213 ( -2.177 -6.392 3.823) 7.760 6.405 ( 3.214 -1.261 4.182) 5.422 7.169 ( -1.977 -5.992 -24.017) 24.833 7.224 ( 1.499 -11.817 -13.733) 18.179 7.569 ( -2.706 4.581 -6.357) 8.290 7.611 ( -0.151 1.000 -2.886) 3.058 7.690 ( -0.977 0.883 -10.088) 10.174 7.880 ( -1.377 -2.810 -2.931) 4.287 8.106 ( 0.846 1.638 4.067) 4.465 8.214 ( -7.068 9.389 4.312) 12.518 8.730 ( -5.936 -2.196 22.384) 23.262 9.169 ( -1.350 -1.134 10.520) 10.667 9.186 ( -1.837 -3.538 12.569) 13.186 10.205 ( 13.452 -18.642 -16.916) 28.542 11.464 ( -5.488 -2.207 6.451) 8.752 11.545 ( -2.863 1.739 0.172) 3.354 12.002 ( -0.941 0.193 4.038) 4.150 12.353 ( -3.506 -1.754 -3.242) 5.087 14.205 ( -3.717 4.123 -0.688) 5.594 14.314 ( -0.856 -0.077 -1.731) 1.933 14.438 ( 1.709 -0.415 0.175) 1.767 14.457 ( 2.408 0.073 0.463) 2.453 14.817 ( 1.434 0.610 0.716) 1.715 14.967 ( 7.403 -3.340 -5.303) 9.700 15.044 ( 0.061 1.490 2.124) 2.595 15.312 ( -0.809 -0.853 -2.919) 3.147 17.478 ( -1.447 -0.344 -0.261) 1.510 17.520 ( 0.741 -0.389 0.810) 1.165 17.556 ( 1.197 3.310 2.458) 4.293 17.810 ( -0.370 1.280 -1.175) 1.777 22.625 ( 0.730 -0.387 1.991) 2.156 22.701 ( -2.139 0.764 0.532) 2.333 22.838 ( -0.358 2.312 -1.111) 2.590 22.860 ( -0.053 4.081 -3.113) 5.133 24.726 ( 0.135 0.288 0.136) 0.346 24.738 ( 0.221 0.169 -0.084) 0.290 24.869 ( -0.026 -0.036 0.063) 0.077 24.876 ( -0.071 -0.154 -0.076) 0.186 26.485 ( -1.672 -0.060 -1.043) 1.972 26.511 ( 0.476 -0.072 1.029) 1.136 26.602 ( 1.075 -1.013 2.041) 2.519 26.649 ( -0.394 -1.126 -1.703) 2.079 39.820 ( -0.762 0.181 0.756) 1.088 39.856 ( -0.523 -0.425 1.559) 1.698 40.056 ( 0.759 2.791 -3.074) 4.221 40.139 ( 3.845 5.522 -7.708) 10.232 43.005 ( -0.735 0.085 0.383) 0.833 43.011 ( -1.022 -0.251 -0.445) 1.143 43.284 ( 0.050 -0.042 0.491) 0.495 43.305 ( -0.583 -0.265 -0.734) 0.974 48.582 ( -0.176 1.940 7.109) 7.371 48.999 ( -3.903 -4.930 7.687) 9.931 49.162 ( -3.473 0.446 1.860) 3.965 49.177 ( -2.956 2.284 -1.546) 4.043 49.338 ( -3.420 -1.036 -0.451) 3.602 49.529 ( 9.439 7.970 -3.920) 12.961 50.694 ( 17.768 -37.058 22.567) 46.886 51.285 ( 8.089 -17.891 -2.431) 19.785 ======================= Grid point 74 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 6.565 15.397 7.170) 18.209 1.465 ( 3.805 31.706 10.188) 33.519 1.861 ( -4.692 -1.493 -1.692) 5.206 1.981 ( -4.275 6.992 9.264) 12.368 2.305 ( 1.985 2.027 1.097) 3.042 2.444 ( 23.046 7.151 4.951) 24.633 2.599 ( 2.076 6.099 0.632) 6.474 2.697 ( 2.102 10.062 -2.285) 10.530 2.996 ( 8.111 0.687 12.994) 15.333 2.999 ( 8.955 -1.109 7.414) 11.678 3.077 ( 13.001 0.401 -3.840) 13.562 3.598 ( 14.116 7.951 -16.168) 22.889 3.680 ( -3.236 10.992 -18.267) 21.564 4.042 ( 16.038 4.133 -20.286) 26.188 4.497 ( 3.931 0.535 7.997) 8.927 4.560 ( 3.503 2.099 5.680) 6.996 4.600 ( 1.323 6.526 13.786) 15.310 4.971 ( 9.707 0.948 9.703) 13.757 5.083 ( 8.096 -1.114 9.898) 12.836 5.159 ( 5.865 0.925 7.956) 9.928 5.314 ( 2.487 0.217 0.045) 2.496 5.667 ( -1.850 -4.432 -1.769) 5.118 5.737 ( -2.880 -1.566 3.202) 4.583 5.782 ( -2.041 -0.402 1.644) 2.651 5.806 ( -3.135 -2.363 2.613) 4.716 6.081 ( 2.961 -9.650 -10.995) 14.926 6.188 ( -0.035 -9.037 7.117) 11.503 6.450 ( 1.338 0.468 5.173) 5.364 7.124 ( -2.107 -8.211 -23.004) 24.516 7.272 ( 2.642 -10.699 -15.226) 18.795 7.475 ( -4.076 5.150 -5.020) 8.267 7.645 ( 5.355 0.797 -12.554) 13.672 7.744 ( 3.992 0.479 -5.753) 7.019 7.864 ( 0.727 -2.305 -6.183) 6.639 8.104 ( -0.145 2.357 4.556) 5.132 8.178 ( 1.861 5.522 6.765) 8.928 8.652 ( -2.478 -1.439 23.234) 23.410 8.990 ( -10.953 -3.460 20.214) 23.250 9.230 ( 0.261 2.860 3.032) 4.177 10.184 ( -14.279 -8.117 -19.575) 25.553 11.394 ( -1.033 1.199 1.967) 2.525 11.477 ( -3.189 1.221 -0.391) 3.437 11.980 ( -1.200 1.260 3.542) 3.946 12.261 ( -5.198 -0.936 -2.025) 5.656 14.157 ( -1.375 0.749 1.133) 1.933 14.292 ( -1.112 -1.207 -1.654) 2.330 14.482 ( 2.333 -0.407 0.208) 2.377 14.506 ( 2.297 -0.299 0.693) 2.418 14.856 ( 2.050 1.054 0.654) 2.396 15.047 ( 0.244 0.997 2.538) 2.738 15.070 ( 3.012 -2.788 -5.469) 6.838 15.288 ( -1.468 -0.616 -2.488) 2.954 17.463 ( -0.095 -1.152 -0.139) 1.165 17.534 ( 0.704 -0.562 0.918) 1.286 17.585 ( 1.549 3.443 1.014) 3.909 17.805 ( -0.141 1.243 -1.345) 1.837 22.645 ( 0.920 -0.501 1.215) 1.605 22.665 ( -1.125 0.138 1.264) 1.698 22.832 ( -0.137 2.214 -1.045) 2.452 22.878 ( 1.447 1.663 -2.662) 3.456 24.730 ( 0.201 0.230 0.147) 0.339 24.743 ( 0.321 0.078 -0.123) 0.353 24.867 ( -0.080 0.077 0.058) 0.126 24.874 ( -0.111 -0.057 -0.070) 0.143 26.458 ( -0.900 0.084 -2.186) 2.366 26.515 ( -0.150 -0.293 0.810) 0.875 26.620 ( 0.714 -1.026 3.214) 3.449 26.650 ( 0.422 -0.837 -1.368) 1.659 39.802 ( -0.748 -0.737 1.141) 1.551 39.863 ( 0.555 -3.087 1.157) 3.343 40.076 ( 1.104 4.063 -1.946) 4.639 40.182 ( 0.755 3.179 -3.726) 4.956 42.986 ( -1.054 0.097 0.448) 1.149 42.995 ( -0.582 -0.384 -0.892) 1.132 43.282 ( -0.158 0.003 0.597) 0.617 43.295 ( -0.331 -0.194 -0.875) 0.955 48.578 ( -0.185 1.654 6.817) 7.017 48.918 ( -2.798 -4.108 8.592) 9.926 49.099 ( -2.532 0.162 0.528) 2.592 49.215 ( 3.853 6.439 -4.508) 8.754 49.245 ( -5.115 -0.972 0.614) 5.243 49.741 ( 10.762 4.274 -7.416) 13.751 50.954 ( 9.151 -16.414 10.739) 21.645 51.432 ( 5.582 -18.358 -3.654) 19.532 ======================= Grid point 75 (32/84) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 11.988 5.951 -22.563) 26.233 1.569 ( 6.747 36.207 11.300) 38.525 1.757 ( -4.805 -2.614 -0.314) 5.480 1.913 ( -1.621 16.128 9.227) 18.652 2.360 ( 3.344 3.546 0.980) 4.971 2.582 ( -1.712 4.127 -1.263) 4.643 2.626 ( 1.427 5.934 2.423) 6.567 2.791 ( 1.632 7.085 -8.285) 11.023 3.019 ( -1.173 1.014 2.237) 2.722 3.205 ( 6.684 1.319 7.682) 10.268 3.321 ( 9.413 7.540 -10.379) 15.912 3.580 ( -5.347 9.248 -16.892) 19.986 3.714 ( 4.387 3.987 11.745) 13.156 4.367 ( 9.501 -0.284 -13.205) 16.270 4.556 ( 2.434 1.905 9.859) 10.332 4.602 ( -0.733 5.564 18.331) 19.171 4.798 ( 13.107 0.563 -3.827) 13.666 5.120 ( 1.738 0.419 11.553) 11.691 5.156 ( 2.532 -0.956 0.537) 2.759 5.293 ( 1.417 -1.397 8.633) 8.859 5.372 ( 2.751 -3.494 1.391) 4.659 5.584 ( -3.434 -4.240 -2.436) 5.975 5.667 ( -1.117 -4.403 0.824) 4.617 5.789 ( -2.160 0.336 -3.988) 4.548 5.853 ( 12.335 -0.615 9.653) 15.675 6.140 ( 2.047 -6.916 -6.176) 9.495 6.209 ( 1.596 -8.452 11.415) 14.293 6.464 ( 0.022 2.591 6.059) 6.590 7.101 ( 0.223 -10.157 -21.680) 23.942 7.290 ( -0.994 -10.436 -14.947) 18.257 7.470 ( 3.183 5.214 -8.597) 10.546 7.707 ( -2.977 1.052 -0.193) 3.163 7.846 ( 8.942 -1.556 -11.655) 14.772 7.968 ( 6.290 -6.105 1.553) 8.902 8.127 ( 2.108 3.044 2.781) 4.631 8.280 ( 9.743 8.101 1.720) 12.787 8.625 ( -1.508 0.871 13.048) 13.163 8.767 ( -7.296 -0.855 16.466) 18.030 9.192 ( -3.162 3.784 4.731) 6.834 9.724 ( -28.645 -0.031 -15.063) 32.364 11.399 ( 0.801 0.276 0.102) 0.853 11.430 ( -1.489 0.044 -0.287) 1.517 11.958 ( -0.836 2.166 2.898) 3.713 12.163 ( -3.986 0.140 -1.052) 4.124 14.140 ( -0.462 -0.647 1.364) 1.579 14.273 ( -0.714 -2.150 -1.505) 2.720 14.522 ( 1.475 -0.361 0.329) 1.553 14.544 ( 1.362 -0.476 0.491) 1.525 14.891 ( 1.267 1.220 0.535) 1.839 15.053 ( 0.257 0.998 2.461) 2.668 15.106 ( 0.932 -2.030 -4.097) 4.666 15.259 ( -1.202 -0.313 -2.082) 2.424 17.468 ( 0.372 -1.562 0.733) 1.765 17.546 ( 0.338 -1.260 0.259) 1.330 17.616 ( 1.424 4.072 0.166) 4.317 17.802 ( -0.118 1.337 -1.706) 2.171 22.642 ( -0.536 -0.598 1.177) 1.425 22.668 ( 0.596 -1.885 0.701) 2.097 22.834 ( 0.261 2.569 -0.824) 2.711 22.907 ( 1.170 1.042 -2.831) 3.235 24.734 ( 0.150 0.167 0.164) 0.277 24.749 ( 0.228 -0.016 -0.161) 0.280 24.866 ( -0.068 0.162 0.059) 0.185 24.872 ( -0.087 0.045 -0.063) 0.116 26.449 ( -0.064 0.195 -2.664) 2.671 26.506 ( -0.625 -0.204 0.299) 0.722 26.632 ( 0.490 -0.758 3.728) 3.835 26.661 ( 0.588 -0.826 -0.688) 1.225 39.791 ( -0.336 -1.493 1.304) 2.011 39.871 ( 0.225 -4.745 0.625) 4.791 40.095 ( 0.683 4.906 -1.156) 5.086 40.184 ( -0.252 2.369 -1.969) 3.091 42.966 ( -0.786 0.171 0.316) 0.865 42.988 ( -0.085 -0.336 -1.002) 1.061 43.278 ( -0.275 0.126 0.508) 0.591 43.292 ( 0.036 -0.156 -0.756) 0.773 48.576 ( -0.094 1.454 6.566) 6.725 48.885 ( -0.777 -4.342 5.837) 7.316 49.068 ( -0.546 -1.039 1.686) 2.055 49.150 ( -3.966 -0.776 0.843) 4.128 49.284 ( 2.603 10.522 -4.416) 11.705 49.928 ( 6.884 1.830 -10.972) 13.081 51.092 ( 4.610 -9.854 8.972) 14.101 51.510 ( 2.358 -14.777 -2.819) 15.227 ======================= Grid point 76 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 3.078 -2.789 -19.687) 20.120 1.663 ( -3.763 19.591 6.285) 20.916 1.712 ( 3.831 21.864 1.492) 22.247 1.919 ( -0.542 18.484 -0.313) 18.495 2.403 ( -0.054 3.800 1.367) 4.039 2.544 ( -0.204 1.239 -3.917) 4.114 2.653 ( 0.027 6.362 5.501) 8.411 2.755 ( -0.859 8.514 -16.798) 18.853 2.987 ( -0.237 -2.601 1.119) 2.842 3.268 ( 0.588 1.937 2.422) 3.156 3.454 ( -1.214 15.678 -26.149) 30.513 3.490 ( 1.304 2.972 -6.059) 6.873 3.816 ( 1.066 4.927 39.173) 39.496 4.435 ( -0.446 -1.362 -6.036) 6.204 4.571 ( -0.852 1.842 9.906) 10.112 4.608 ( 1.800 4.631 17.871) 18.549 4.949 ( -1.070 -0.081 -9.632) 9.692 5.040 ( 0.600 0.005 17.445) 17.456 5.159 ( -0.410 -1.506 -3.986) 4.281 5.374 ( -0.354 -5.089 3.403) 6.132 5.406 ( 0.041 -6.350 2.977) 7.014 5.585 ( 0.396 0.544 -2.756) 2.837 5.647 ( -0.180 -1.848 -2.763) 3.329 5.700 ( -0.099 -1.542 -12.657) 12.751 6.088 ( -1.831 -9.438 -0.985) 9.664 6.128 ( 1.724 1.116 11.044) 11.233 6.238 ( 0.556 -7.334 13.125) 15.045 6.453 ( -0.554 4.350 6.618) 7.939 7.117 ( 0.453 -10.231 -21.786) 24.073 7.267 ( -0.367 -12.057 -12.605) 17.447 7.544 ( 1.383 4.831 -11.601) 12.642 7.637 ( -0.797 2.335 -1.246) 2.764 7.969 ( -0.927 -3.586 -0.012) 3.704 8.027 ( 0.530 -5.872 6.977) 9.135 8.158 ( -0.005 4.178 0.112) 4.180 8.410 ( -0.813 4.763 6.147) 7.819 8.505 ( -1.332 2.944 10.716) 11.192 8.952 ( 3.372 -0.392 -6.474) 7.310 9.155 ( 0.571 3.052 5.544) 6.354 9.207 ( -2.354 6.354 -7.039) 9.770 11.412 ( -0.488 -0.426 -0.172) 0.670 11.412 ( 0.440 -0.497 -0.232) 0.703 11.949 ( 0.029 2.523 2.614) 3.633 12.120 ( -0.037 0.732 -0.716) 1.025 14.135 ( 0.011 -1.002 1.384) 1.709 14.266 ( -0.013 -2.494 -1.448) 2.884 14.539 ( 0.090 -0.345 0.445) 0.570 14.557 ( -0.081 -0.517 0.349) 0.628 14.904 ( -0.061 1.267 0.427) 1.338 15.056 ( 0.072 0.878 2.542) 2.691 15.115 ( 0.040 -1.667 -3.698) 4.056 15.245 ( -0.035 -0.192 -1.923) 1.933 17.475 ( 0.317 -1.524 1.419) 2.106 17.543 ( -0.724 -1.445 -0.458) 1.680 17.637 ( 0.538 4.144 0.178) 4.183 17.800 ( -0.151 1.359 -2.002) 2.424 22.636 ( -0.031 -0.970 1.175) 1.524 22.674 ( 0.012 -2.462 0.432) 2.500 22.838 ( 0.039 2.827 -0.677) 2.907 22.919 ( 0.001 0.913 -2.931) 3.070 24.735 ( 0.007 0.139 0.175) 0.224 24.752 ( -0.005 -0.055 -0.180) 0.188 24.865 ( -0.001 0.193 0.058) 0.202 24.871 ( 0.000 0.089 -0.059) 0.106 26.451 ( 0.174 0.220 -2.804) 2.818 26.492 ( -0.701 0.020 -0.003) 0.701 26.637 ( -0.067 -0.634 3.952) 4.003 26.673 ( 0.563 -0.951 -0.373) 1.166 39.788 ( -0.005 -1.755 1.335) 2.205 39.874 ( 0.101 -5.283 0.475) 5.306 40.103 ( 0.044 5.116 -0.861) 5.188 40.179 ( -0.137 2.174 -1.641) 2.728 42.955 ( -0.311 0.255 0.070) 0.409 42.991 ( 0.320 -0.337 -0.827) 0.948 43.272 ( -0.293 0.225 0.297) 0.474 43.296 ( 0.306 -0.174 -0.513) 0.622 48.575 ( 0.008 1.382 6.478) 6.624 48.880 ( 0.258 -4.724 4.953) 6.849 49.071 ( 0.192 -1.235 3.684) 3.890 49.100 ( -0.248 -0.720 -0.563) 0.946 49.313 ( 0.181 11.844 -4.099) 12.534 49.997 ( -0.288 1.089 -12.655) 12.705 51.136 ( -0.313 -8.311 8.625) 11.982 51.535 ( 0.205 -13.437 -2.107) 13.603 ======================= Grid point 78 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -12.290 25.391 -6.739) 29.003 1.592 ( -5.364 7.170 -2.981) 9.438 1.761 ( 4.208 -4.429 -0.468) 6.127 1.938 ( 4.144 24.875 13.077) 28.407 2.360 ( -3.247 3.589 1.117) 4.967 2.575 ( 1.508 3.389 -1.397) 3.963 2.623 ( -1.608 6.898 1.530) 7.246 2.780 ( -0.629 7.672 -8.195) 11.243 3.007 ( 0.978 -0.221 1.568) 1.861 3.216 ( -6.860 1.415 3.676) 7.911 3.322 ( -9.359 9.146 -8.514) 15.611 3.575 ( 3.893 9.472 -16.650) 19.547 3.757 ( -2.575 0.777 12.702) 12.984 4.368 ( -8.300 -0.828 -11.335) 14.074 4.540 ( -2.814 2.919 8.812) 9.700 4.629 ( -0.516 4.959 15.456) 16.241 4.776 ( -13.213 2.012 -1.500) 13.450 5.124 ( -2.434 0.583 11.729) 11.993 5.142 ( -2.346 -1.428 0.270) 2.760 5.307 ( 0.963 -2.402 9.316) 9.669 5.376 ( -1.780 -3.437 1.944) 4.331 5.590 ( 3.254 -3.741 -2.836) 5.712 5.644 ( -2.468 -5.934 2.139) 6.774 5.772 ( 0.356 1.231 -2.272) 2.609 5.858 ( -9.963 1.498 6.467) 11.972 6.147 ( -1.842 -6.921 -5.959) 9.317 6.234 ( -0.275 -9.208 12.159) 15.255 6.444 ( -0.859 3.484 4.013) 5.383 7.113 ( -0.113 -10.463 -21.401) 23.821 7.279 ( 0.559 -10.247 -15.668) 18.730 7.484 ( -4.173 5.011 -8.163) 10.448 7.699 ( 2.882 0.526 -0.937) 3.076 7.817 ( -8.706 -1.468 -11.667) 14.631 7.998 ( -3.903 -5.935 3.646) 7.984 8.134 ( -1.322 3.485 3.411) 5.053 8.297 ( -10.027 7.500 0.946) 12.558 8.571 ( 1.958 1.607 10.754) 11.048 8.767 ( 3.465 -0.420 17.095) 17.448 9.196 ( 3.043 3.211 4.913) 6.611 9.731 ( 29.718 -0.354 -14.679) 33.148 11.399 ( -0.711 0.262 0.096) 0.764 11.428 ( 1.381 0.092 -0.310) 1.419 11.959 ( 0.860 2.162 2.934) 3.744 12.162 ( 3.962 0.191 -1.088) 4.113 14.140 ( 0.479 -0.649 1.379) 1.598 14.273 ( 0.698 -2.150 -1.521) 2.724 14.525 ( -1.386 -0.391 0.427) 1.502 14.541 ( -1.450 -0.434 0.405) 1.567 14.889 ( -1.352 1.293 0.445) 1.922 15.055 ( -0.170 0.719 2.676) 2.776 15.108 ( -0.851 -1.846 -4.165) 4.635 15.257 ( 1.120 -0.384 -2.141) 2.447 17.480 ( 0.186 -1.335 1.558) 2.060 17.520 ( -1.281 -0.984 -0.748) 1.780 17.633 ( -0.895 3.637 0.613) 3.795 17.797 ( -0.051 1.302 -1.972) 2.364 22.641 ( 0.481 -0.580 1.126) 1.355 22.669 ( -0.544 -1.911 0.732) 2.117 22.836 ( -0.205 2.562 -0.768) 2.683 22.907 ( -1.174 1.023 -2.862) 3.258 24.734 ( -0.140 0.167 0.173) 0.278 24.749 ( -0.236 -0.011 -0.170) 0.290 24.866 ( 0.066 0.160 0.058) 0.183 24.872 ( 0.088 0.046 -0.062) 0.117 26.456 ( 0.393 0.236 -2.345) 2.390 26.481 ( -0.370 0.123 -0.418) 0.572 26.629 ( -0.690 -0.796 3.771) 3.915 26.682 ( 0.223 -1.115 -0.342) 1.187 39.791 ( 0.317 -1.560 1.290) 2.049 39.875 ( -0.048 -4.826 0.719) 4.880 40.097 ( -0.670 4.902 -1.054) 5.059 40.179 ( 0.084 2.498 -2.150) 3.297 42.955 ( 0.351 0.293 -0.138) 0.477 43.000 ( 0.536 -0.470 -0.554) 0.903 43.267 ( -0.145 0.240 0.081) 0.292 43.303 ( 0.401 -0.257 -0.313) 0.570 48.576 ( 0.106 1.439 6.577) 6.734 48.894 ( 1.107 -4.558 5.993) 7.611 49.074 ( 0.863 -1.029 1.385) 1.929 49.143 ( 3.665 -0.624 1.060) 3.866 49.291 ( -2.356 10.425 -3.982) 11.406 49.917 ( -7.316 1.944 -11.449) 13.726 51.081 ( -5.024 -9.708 8.603) 13.911 51.517 ( -2.123 -14.871 -2.491) 15.227 ======================= Grid point 79 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -7.467 18.111 10.716) 22.329 1.506 ( -4.215 20.022 8.624) 22.204 1.872 ( 5.720 -3.211 -3.171) 7.286 2.016 ( 2.760 12.881 11.452) 17.455 2.312 ( -1.056 2.735 1.007) 3.100 2.478 ( -18.135 5.877 4.796) 19.658 2.587 ( -3.135 6.202 1.253) 7.061 2.699 ( -3.144 10.945 -1.131) 11.444 2.996 ( -4.130 -0.955 2.440) 4.891 3.022 ( -9.552 -0.100 17.665) 20.082 3.041 ( -17.492 -0.352 -6.418) 18.636 3.612 ( -12.180 9.862 -17.254) 23.309 3.658 ( -1.898 9.156 -15.584) 18.174 4.066 ( -15.505 4.164 -20.279) 25.864 4.449 ( -4.049 0.622 6.278) 7.497 4.556 ( -1.847 2.264 5.737) 6.438 4.631 ( -2.024 7.146 13.618) 15.512 4.990 ( -7.861 0.786 10.342) 13.015 5.103 ( -3.471 -2.059 2.185) 4.590 5.164 ( -10.804 0.679 18.143) 21.127 5.317 ( -2.864 0.025 0.762) 2.964 5.647 ( -1.845 -2.255 -2.589) 3.898 5.700 ( 6.678 -2.845 2.580) 7.704 5.764 ( 2.195 -0.515 3.008) 3.759 5.823 ( 3.466 -1.895 2.643) 4.753 6.095 ( -2.971 -9.115 -11.841) 15.235 6.234 ( 0.487 -9.386 8.508) 12.677 6.412 ( -2.272 1.314 1.641) 3.095 7.132 ( 1.772 -8.186 -22.695) 24.192 7.250 ( -2.814 -11.715 -16.165) 20.161 7.466 ( 3.262 5.115 -5.356) 8.093 7.657 ( -3.203 1.448 -10.580) 11.149 7.759 ( -1.524 0.903 -9.266) 9.433 7.885 ( -4.462 -2.996 -2.618) 5.978 8.115 ( -0.800 2.814 3.771) 4.773 8.168 ( -1.707 5.131 7.154) 8.968 8.614 ( 3.460 -1.177 21.844) 22.148 8.959 ( 10.844 -2.269 19.775) 22.667 9.232 ( -0.034 2.018 3.480) 4.023 10.198 ( 14.065 -8.500 -18.747) 24.931 11.397 ( 1.221 1.123 2.101) 2.677 11.475 ( 3.210 1.286 -0.523) 3.497 11.981 ( 1.171 1.277 3.567) 3.966 12.261 ( 5.264 -0.877 -2.044) 5.714 14.157 ( 1.385 0.754 1.151) 1.953 14.292 ( 1.121 -1.195 -1.674) 2.342 14.485 ( -2.380 -0.441 0.349) 2.445 14.503 ( -2.275 -0.249 0.566) 2.358 14.853 ( -2.051 1.143 0.516) 2.404 15.049 ( -0.563 -0.209 2.605) 2.673 15.074 ( -2.684 -1.730 -5.288) 6.177 15.285 ( 1.422 -0.700 -2.609) 3.053 17.483 ( 0.272 -0.791 0.911) 1.237 17.500 ( -0.542 -0.732 -0.126) 0.920 17.604 ( -1.909 3.290 1.345) 4.035 17.798 ( 0.168 1.253 -1.680) 2.102 22.645 ( -0.758 -0.443 1.155) 1.450 22.665 ( 0.986 0.053 1.305) 1.637 22.834 ( 0.131 2.202 -0.971) 2.410 22.878 ( -1.443 1.639 -2.704) 3.476 24.730 ( -0.201 0.229 0.160) 0.344 24.743 ( -0.322 0.084 -0.135) 0.359 24.867 ( 0.080 0.074 0.057) 0.123 24.874 ( 0.111 -0.054 -0.068) 0.141 26.473 ( 1.347 0.186 -1.053) 1.720 26.477 ( 0.033 0.069 -0.966) 0.969 26.610 ( -1.197 -1.018 3.063) 3.443 26.681 ( -0.270 -1.233 -0.584) 1.391 39.801 ( 0.728 -0.844 1.118) 1.578 39.869 ( -0.521 -3.234 1.332) 3.536 40.077 ( -1.188 4.078 -1.917) 4.660 40.176 ( -0.684 3.386 -3.907) 5.215 42.970 ( 1.064 0.271 -0.192) 1.115 43.011 ( 0.564 -0.581 -0.262) 0.851 43.267 ( 0.151 0.177 -0.029) 0.234 43.311 ( 0.335 -0.345 -0.231) 0.534 48.579 ( 0.187 1.637 6.842) 7.038 48.929 ( 2.621 -4.328 8.570) 9.952 49.112 ( 2.880 0.064 0.333) 2.900 49.222 ( -3.236 5.062 -2.698) 6.586 49.236 ( 4.420 0.379 -0.342) 4.449 49.725 ( -10.851 4.568 -8.029) 14.250 50.939 ( -8.998 -16.030 10.303) 21.073 51.440 ( -5.741 -18.679 -3.265) 19.812 ======================= Grid point 80 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -21.956 9.190 17.774) 29.706 1.321 ( -12.045 27.211 12.196) 32.160 1.873 ( -22.234 12.221 22.901) 34.178 1.932 ( -0.198 4.542 -2.176) 5.040 2.131 ( -0.812 -3.895 1.996) 4.451 2.155 ( -34.010 0.580 -2.664) 34.119 2.330 ( -1.399 -2.342 -0.520) 2.777 2.639 ( -3.260 3.892 4.586) 6.842 2.744 ( 0.582 11.689 4.022) 12.375 2.906 ( -1.505 -1.197 14.301) 14.430 2.994 ( -0.595 -3.478 -0.073) 3.530 3.292 ( -10.273 20.204 0.241) 22.667 3.695 ( 1.417 10.948 -18.917) 21.902 3.855 ( -6.495 10.437 -19.675) 23.200 4.449 ( 1.742 0.757 4.003) 4.431 4.551 ( -0.633 1.809 6.771) 7.037 4.611 ( 0.302 4.721 3.687) 5.998 4.811 ( -8.024 0.105 10.455) 13.179 4.985 ( -3.274 2.477 15.455) 15.991 5.096 ( -1.367 -2.371 1.134) 2.962 5.283 ( -0.592 2.875 -1.303) 3.212 5.541 ( -5.185 3.033 -4.351) 7.418 5.790 ( 2.907 -4.568 2.492) 5.960 5.844 ( 2.658 -1.322 0.187) 2.975 5.900 ( 3.101 -5.016 2.441) 6.382 6.042 ( -1.877 -10.053 -16.049) 19.030 6.260 ( 2.241 -6.094 6.279) 9.032 6.355 ( -3.400 -1.302 1.137) 3.814 7.163 ( 1.029 -7.266 -21.703) 22.910 7.219 ( -0.002 -11.335 -16.643) 20.136 7.557 ( 3.207 3.508 -1.166) 4.894 7.630 ( -0.344 2.124 -9.571) 9.810 7.714 ( -0.602 2.534 -8.112) 8.520 7.865 ( 1.587 -3.884 -2.476) 4.871 8.092 ( -0.973 1.398 4.531) 4.841 8.223 ( 7.135 9.143 4.222) 12.343 8.708 ( 6.315 -1.843 20.768) 21.785 9.140 ( 4.967 -1.556 14.345) 15.260 9.207 ( -0.231 -2.665 9.259) 9.638 10.211 ( -13.873 -18.808 -16.555) 28.641 11.467 ( 5.244 -2.209 6.514) 8.650 11.545 ( 3.048 1.607 0.172) 3.450 12.003 ( 0.910 0.228 4.025) 4.133 12.354 ( 3.535 -1.731 -3.229) 5.091 14.206 ( 3.729 4.156 -0.688) 5.626 14.313 ( 0.874 -0.051 -1.744) 1.952 14.440 ( -1.789 -0.385 0.326) 1.859 14.454 ( -2.347 0.049 0.306) 2.368 14.815 ( -1.384 0.668 0.595) 1.647 14.967 ( -7.350 -3.594 -4.891) 9.532 15.048 ( -0.260 1.607 1.945) 2.537 15.309 ( 0.890 -0.899 -3.033) 3.286 17.494 ( 0.401 -0.433 -0.470) 0.754 17.499 ( 0.706 -0.327 1.147) 1.386 17.564 ( -1.761 3.337 2.539) 4.548 17.805 ( 0.549 1.316 -1.390) 1.991 22.626 ( -0.756 -0.387 1.987) 2.161 22.700 ( 2.146 0.747 0.499) 2.326 22.840 ( 0.306 2.323 -1.072) 2.577 22.860 ( 0.072 4.024 -3.088) 5.073 24.727 ( -0.145 0.288 0.146) 0.353 24.737 ( -0.213 0.173 -0.093) 0.290 24.869 ( 0.027 -0.039 0.062) 0.078 24.876 ( 0.070 -0.152 -0.075) 0.183 26.480 ( 0.373 0.170 -0.155) 0.438 26.509 ( 1.698 -0.120 -0.342) 1.737 26.585 ( -1.043 -0.858 1.620) 2.109 26.673 ( -0.441 -1.393 -0.812) 1.671 39.821 ( 1.014 0.259 0.732) 1.277 39.858 ( 0.032 -0.674 1.685) 1.815 40.055 ( -0.758 2.805 -3.178) 4.307 40.136 ( -3.603 5.669 -7.714) 10.228 42.994 ( 1.170 0.211 -0.061) 1.191 43.022 ( 0.553 -0.397 -0.013) 0.681 43.273 ( 0.369 0.085 0.038) 0.380 43.316 ( 0.148 -0.377 -0.273) 0.489 48.583 ( 0.161 1.937 7.138) 7.398 49.003 ( 3.613 -5.049 7.366) 9.634 49.167 ( 1.172 1.261 -0.505) 1.794 49.190 ( 4.487 0.849 1.235) 4.731 49.333 ( 3.893 -0.661 -0.240) 3.956 49.515 ( -9.059 8.360 -4.327) 13.064 50.689 ( -17.159 -36.664 22.563) 46.344 51.286 ( -8.478 -18.324 -2.354) 20.327 ======================= Grid point 81 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -1.793 12.095 9.679) 15.595 1.345 ( 2.260 -11.096 -6.869) 13.244 1.812 ( 1.458 21.550 29.681) 36.708 2.008 ( 0.625 3.598 -0.665) 3.712 2.081 ( -2.697 3.135 0.795) 4.211 2.122 ( -1.620 6.070 5.096) 8.089 2.309 ( 0.589 3.946 -3.184) 5.104 2.589 ( -0.148 -0.951 7.668) 7.729 2.777 ( 0.143 -8.594 12.187) 14.913 2.876 ( 0.212 -6.955 -1.569) 7.133 3.455 ( 0.142 42.721 7.389) 43.356 3.618 ( -0.601 21.420 -2.051) 21.527 3.920 ( 0.429 11.076 -13.884) 17.766 4.149 ( -0.443 21.531 -12.791) 25.048 4.498 ( 0.904 0.682 0.478) 1.230 4.620 ( 0.085 2.991 5.041) 5.863 4.679 ( 1.599 2.737 7.231) 7.895 4.719 ( -1.709 2.237 10.351) 10.727 5.015 ( -2.621 1.710 1.407) 3.431 5.051 ( 0.894 1.767 6.014) 6.331 5.341 ( 0.309 2.102 -0.636) 2.218 5.546 ( 0.424 -0.343 -5.837) 5.863 5.717 ( 0.144 -2.847 2.888) 4.058 5.725 ( 0.818 -13.231 -0.844) 13.284 5.774 ( -0.830 -14.143 -10.974) 17.920 5.850 ( -0.809 -2.219 -4.445) 5.034 6.017 ( -0.618 -16.989 4.613) 17.615 6.338 ( 1.156 -5.627 5.870) 8.213 6.936 ( 0.123 -8.035 -14.574) 16.643 7.150 ( 0.219 -2.870 -25.812) 25.972 7.615 ( 0.341 1.487 1.921) 2.453 7.657 ( -1.260 0.743 -6.520) 6.682 7.734 ( -0.280 0.999 -2.587) 2.787 7.825 ( 0.860 -2.551 1.508) 3.086 8.128 ( 0.648 4.160 -1.688) 4.536 8.562 ( 0.065 8.087 3.690) 8.890 8.809 ( 1.020 -6.819 -0.580) 6.920 9.044 ( -1.539 -5.647 5.535) 8.056 9.195 ( -1.297 -3.452 8.669) 9.420 9.437 ( 1.611 -17.977 12.675) 22.055 11.482 ( -0.052 0.711 6.597) 6.636 11.607 ( 0.023 0.691 0.723) 1.000 12.030 ( -0.023 2.641 3.515) 4.396 12.331 ( -0.039 -4.108 -2.474) 4.795 14.334 ( -0.041 0.738 -1.053) 1.286 14.357 ( -0.093 1.857 -3.859) 4.284 14.417 ( -0.137 -0.034 -0.468) 0.489 14.427 ( 0.221 0.330 -0.519) 0.654 14.814 ( 0.142 -0.003 0.780) 0.792 14.828 ( -0.087 -0.134 -0.070) 0.174 15.104 ( -0.028 4.038 -0.639) 4.089 15.293 ( 0.117 -1.742 -3.266) 3.704 17.498 ( 0.494 -0.246 -0.119) 0.564 17.502 ( -0.481 -0.325 -0.219) 0.621 17.627 ( -0.094 4.856 4.228) 6.439 17.818 ( 0.058 -0.900 1.735) 1.956 22.625 ( -0.017 0.925 1.559) 1.813 22.705 ( 0.031 -1.333 -0.338) 1.376 22.898 ( -0.043 2.873 -0.581) 2.931 22.955 ( 0.023 1.986 -3.012) 3.608 24.733 ( -0.004 0.429 0.120) 0.445 24.740 ( 0.001 0.223 -0.004) 0.223 24.866 ( 0.003 -0.127 0.060) 0.141 24.872 ( -0.003 -0.277 -0.053) 0.282 26.499 ( 0.545 0.455 0.434) 0.832 26.517 ( -0.570 -0.141 -0.032) 0.588 26.569 ( 0.494 -0.427 0.168) 0.674 26.628 ( -0.475 -1.871 -1.593) 2.503 39.834 ( -0.129 0.544 1.119) 1.251 39.874 ( 0.113 -0.652 0.371) 0.759 40.112 ( 0.038 3.462 -3.384) 4.842 40.197 ( -0.023 3.512 -10.623) 11.189 43.014 ( 0.214 0.245 0.019) 0.326 43.026 ( -0.198 -0.109 -0.334) 0.404 43.281 ( 0.203 0.116 0.129) 0.267 43.306 ( -0.220 -0.574 -0.406) 0.736 48.642 ( -0.025 3.735 8.559) 9.338 48.923 ( -0.011 -4.793 3.822) 6.130 49.254 ( 0.391 0.981 0.800) 1.324 49.276 ( 0.659 -1.471 2.330) 2.833 49.325 ( -1.500 -3.015 0.475) 3.401 49.607 ( 0.084 -20.088 38.973) 43.845 49.699 ( 0.306 15.343 -3.877) 15.829 50.881 ( 0.095 -18.964 -4.391) 19.466 ======================= Grid point 82 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 32.932 7.344 3.004) 33.874 1.803 ( 0.364 16.433 19.373) 25.406 1.877 ( 6.654 -9.480 1.095) 11.634 2.034 ( 10.664 6.812 5.011) 13.610 2.126 ( 28.069 6.087 -4.705) 29.104 2.207 ( 16.622 5.062 -0.531) 17.384 2.364 ( 3.172 4.985 -1.653) 6.136 2.636 ( 4.264 -1.462 5.129) 6.828 2.781 ( 1.171 -4.720 9.611) 10.771 2.897 ( 2.319 -6.669 2.852) 7.615 3.400 ( -4.762 41.773 8.303) 42.856 3.670 ( 5.725 19.602 -4.866) 20.993 3.961 ( 2.432 11.194 -16.370) 19.980 4.137 ( -0.533 19.752 -13.901) 24.159 4.494 ( -1.222 0.462 1.075) 1.691 4.598 ( -0.984 2.976 4.594) 5.561 4.726 ( 1.435 5.005 7.707) 9.301 4.790 ( 8.321 2.469 6.123) 10.622 4.990 ( 1.698 2.842 9.645) 10.197 5.087 ( 2.638 -0.250 6.269) 6.806 5.316 ( -2.185 0.245 0.393) 2.234 5.563 ( 0.184 -6.918 -3.685) 7.841 5.714 ( 1.448 -1.686 0.853) 2.380 5.746 ( -2.225 -13.289 -8.587) 15.978 5.766 ( -0.317 -7.692 3.106) 8.301 5.849 ( 1.643 -3.325 -10.056) 10.718 5.967 ( -2.701 -14.830 7.845) 16.994 6.377 ( 2.263 -6.389 8.386) 10.782 6.953 ( 1.220 -9.842 -16.437) 19.198 7.101 ( -3.584 -3.437 -22.699) 23.236 7.616 ( -1.111 1.280 -0.390) 1.739 7.634 ( -0.992 1.125 -4.473) 4.718 7.712 ( -0.789 1.031 -4.734) 4.909 7.832 ( 0.011 -2.018 0.713) 2.140 8.159 ( 1.803 4.193 -1.228) 4.727 8.397 ( -11.880 8.357 -2.679) 14.770 8.660 ( -4.160 -4.799 22.888) 23.753 9.025 ( -6.124 -9.917 15.342) 19.267 9.204 ( 7.336 1.986 -0.509) 7.617 9.830 ( 19.053 -17.536 -8.204) 27.163 11.461 ( -1.780 1.659 4.668) 5.265 11.575 ( -3.057 0.676 0.250) 3.141 12.028 ( -0.183 2.799 3.394) 4.403 12.302 ( -2.721 -3.585 -1.993) 4.922 14.273 ( -5.743 2.514 -1.779) 6.517 14.313 ( -2.070 -0.027 -1.379) 2.487 14.429 ( 1.659 -0.453 -0.010) 1.720 14.458 ( 1.887 0.026 0.228) 1.901 14.833 ( 2.140 0.905 0.425) 2.362 14.908 ( 5.424 -2.257 -1.428) 6.046 15.101 ( -0.213 3.842 -0.495) 3.880 15.288 ( -0.645 -1.650 -2.971) 3.459 17.476 ( -1.567 0.096 -0.452) 1.634 17.506 ( 0.218 -0.801 0.140) 0.842 17.639 ( 1.122 4.700 3.586) 6.018 17.818 ( 0.017 -0.518 1.539) 1.624 22.630 ( 0.490 0.734 1.269) 1.546 22.696 ( -1.035 -0.882 -0.221) 1.377 22.888 ( -0.791 2.500 -0.635) 2.698 22.928 ( -1.711 2.363 -1.849) 3.454 24.734 ( 0.083 0.403 0.109) 0.425 24.741 ( 0.141 0.175 -0.028) 0.226 24.867 ( 0.091 -0.074 0.032) 0.121 24.872 ( 0.024 -0.218 -0.052) 0.225 26.487 ( -1.494 0.276 -0.679) 1.664 26.509 ( 0.018 -0.120 0.618) 0.630 26.583 ( 0.799 -0.719 1.204) 1.614 26.623 ( 0.037 -1.470 -1.600) 2.173 39.816 ( -1.500 -0.386 0.329) 1.584 39.847 ( -2.083 -0.490 0.790) 2.281 40.123 ( 1.340 3.700 -3.277) 5.121 40.226 ( 1.697 2.880 -7.046) 7.799 43.007 ( -0.911 0.076 0.053) 0.916 43.009 ( -1.073 -0.001 -0.191) 1.090 43.283 ( 0.018 0.013 0.304) 0.305 43.298 ( -0.442 -0.392 -0.519) 0.786 48.635 ( -0.557 3.357 8.129) 8.813 48.904 ( -3.425 -4.872 10.501) 12.072 49.179 ( 2.099 1.250 -0.990) 2.636 49.202 ( -3.269 0.796 -0.835) 3.466 49.306 ( -3.332 -1.995 0.379) 3.902 49.755 ( 5.462 14.394 -5.918) 16.494 50.057 ( 28.960 -23.946 24.098) 44.641 50.936 ( 4.992 -19.057 -3.293) 19.973 ======================= Grid point 83 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.032 4.224 -8.548) 9.535 1.742 ( -5.703 -2.095 -0.368) 6.087 1.853 ( 0.736 7.136 10.096) 12.385 2.300 ( 8.480 13.630 3.388) 16.406 2.396 ( 3.520 6.587 -0.342) 7.476 2.629 ( 14.943 5.775 2.640) 16.236 2.725 ( 13.696 6.373 -2.331) 15.285 2.841 ( 6.385 1.948 4.715) 8.173 2.973 ( 11.280 -1.199 9.461) 14.771 3.053 ( 27.124 -1.648 -4.628) 27.565 3.303 ( -3.655 36.288 8.626) 37.478 3.787 ( 0.895 9.883 -13.802) 16.999 3.975 ( -0.465 16.495 -17.318) 23.921 4.173 ( 7.100 10.813 -15.908) 20.503 4.510 ( 4.081 0.906 4.177) 5.909 4.620 ( 4.549 4.002 4.339) 7.452 4.755 ( 1.270 7.986 10.603) 13.335 4.985 ( 9.581 0.181 6.835) 11.770 5.078 ( 4.535 0.242 6.669) 8.068 5.180 ( 7.672 0.747 14.008) 15.989 5.278 ( -0.897 -2.851 2.615) 3.971 5.530 ( -3.187 -10.437 -2.812) 11.270 5.627 ( -8.671 -12.227 3.060) 15.299 5.686 ( -4.724 -9.382 0.874) 10.540 5.784 ( 2.656 -0.096 -0.797) 2.775 5.911 ( 3.816 -8.919 -11.402) 14.970 5.991 ( 5.183 -4.300 10.578) 12.540 6.420 ( 2.276 -5.387 12.201) 13.530 6.947 ( -2.250 -9.925 -20.397) 22.794 7.073 ( 1.209 -6.878 -17.569) 18.906 7.548 ( -3.139 2.719 -1.690) 4.484 7.657 ( 3.623 0.354 -3.961) 5.379 7.750 ( 3.706 -0.068 -3.729) 5.258 7.822 ( -0.876 -1.791 -1.911) 2.762 8.170 ( 0.016 4.334 -1.942) 4.749 8.305 ( 2.063 6.580 2.122) 7.215 8.611 ( -1.056 -2.380 20.211) 20.378 8.889 ( -7.238 -6.680 14.956) 17.908 9.314 ( 2.474 5.828 -1.381) 6.480 9.984 ( -4.258 -11.547 -14.715) 19.183 11.426 ( -1.413 1.936 1.624) 2.895 11.498 ( -4.062 0.614 -0.143) 4.111 12.023 ( -0.338 3.176 2.968) 4.360 12.232 ( -3.847 -2.175 -1.019) 4.535 14.176 ( -3.507 1.192 0.247) 3.712 14.263 ( -2.515 -1.704 -1.337) 3.319 14.473 ( 2.371 -0.473 0.040) 2.418 14.499 ( 2.015 -0.369 0.495) 2.107 14.882 ( 2.425 1.576 0.291) 2.907 15.002 ( 3.609 -2.958 -1.866) 5.026 15.096 ( -0.273 3.114 -0.045) 3.126 15.268 ( -1.170 -1.440 -2.398) 3.032 17.454 ( -0.561 0.078 -0.466) 0.733 17.510 ( 0.238 -1.431 -0.001) 1.451 17.668 ( 1.633 4.472 2.342) 5.306 17.821 ( 0.229 0.177 0.945) 0.989 22.638 ( 0.141 -0.101 0.620) 0.644 22.663 ( -1.953 -0.367 0.113) 1.990 22.877 ( -0.067 2.117 -0.487) 2.173 22.913 ( 0.279 1.650 -1.223) 2.073 24.736 ( 0.122 0.328 0.099) 0.364 24.745 ( 0.201 0.058 -0.079) 0.224 24.869 ( 0.049 0.064 0.014) 0.082 24.872 ( 0.023 -0.078 -0.050) 0.095 26.463 ( -0.769 0.478 -1.593) 1.833 26.506 ( -0.263 -0.552 0.267) 0.667 26.600 ( 0.849 -0.822 2.251) 2.542 26.630 ( 0.556 -1.156 -0.687) 1.455 39.782 ( -1.576 -1.206 0.144) 1.990 39.811 ( -1.433 -2.042 0.554) 2.555 40.157 ( 1.660 3.892 -1.994) 4.678 40.243 ( -0.000 2.578 -3.260) 4.157 42.987 ( -0.895 -0.039 -0.040) 0.897 42.989 ( -0.774 -0.061 -0.237) 0.811 43.283 ( -0.067 0.002 0.393) 0.399 43.291 ( -0.238 -0.211 -0.508) 0.599 48.623 ( -0.539 2.857 7.381) 7.933 48.836 ( -2.470 -4.141 8.447) 9.727 49.108 ( -3.844 0.587 0.472) 3.917 49.218 ( -4.754 -1.595 1.715) 5.299 49.347 ( 9.779 6.619 -7.366) 13.917 49.878 ( 6.257 9.674 -9.370) 14.850 50.561 ( 19.450 -20.584 14.354) 31.750 51.056 ( 6.183 -19.272 -1.146) 20.272 ======================= Grid point 84 (40/84) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 2.102 -2.871 -17.185) 17.549 1.631 ( -4.522 -5.101 -2.377) 7.219 1.983 ( 12.027 13.154 -2.586) 18.010 2.462 ( 3.114 8.167 -1.143) 8.815 2.471 ( 7.910 12.651 1.988) 15.052 2.709 ( 1.368 3.245 1.412) 3.794 2.829 ( 0.956 -1.355 -4.763) 5.044 2.967 ( -2.116 24.784 8.308) 26.225 3.085 ( -5.271 16.631 -8.120) 19.244 3.310 ( 6.055 11.057 3.177) 13.000 3.463 ( 11.908 6.950 -1.528) 13.872 3.756 ( 2.892 7.502 6.210) 10.159 3.956 ( -0.442 20.636 -11.856) 23.804 4.370 ( 7.089 0.963 -11.189) 13.280 4.582 ( 2.743 1.025 6.481) 7.112 4.749 ( -2.865 8.097 16.295) 18.420 4.811 ( 10.600 0.656 -4.372) 11.485 5.107 ( -0.366 -5.380 5.885) 7.982 5.132 ( -0.891 -0.007 9.800) 9.840 5.232 ( 0.073 -5.192 4.075) 6.601 5.266 ( -1.851 -5.440 3.086) 6.522 5.473 ( -0.849 -7.094 -3.096) 7.787 5.536 ( 0.499 -11.022 -2.279) 11.266 5.723 ( 7.528 -10.778 2.807) 13.443 5.780 ( -1.376 -1.476 -4.153) 4.618 5.986 ( 2.552 -9.385 3.850) 10.460 6.130 ( 8.118 2.621 9.825) 13.012 6.478 ( 2.945 -1.572 13.717) 14.118 6.912 ( -0.212 -8.738 -18.828) 20.758 7.078 ( -1.883 -9.499 -14.464) 17.407 7.548 ( 2.788 2.886 -5.035) 6.439 7.722 ( -1.503 0.490 0.518) 1.664 7.808 ( 5.722 -1.934 -1.773) 6.295 7.871 ( 4.584 -4.024 0.784) 6.150 8.206 ( 3.101 4.717 -2.036) 6.001 8.401 ( 5.749 3.722 3.705) 7.787 8.641 ( 4.261 0.897 8.578) 9.620 8.749 ( -4.063 -0.849 10.754) 11.527 9.296 ( -3.366 6.762 -1.230) 7.653 9.708 ( -20.772 -2.005 -13.215) 24.701 11.405 ( -0.689 0.324 0.105) 0.768 11.429 ( -2.465 -0.081 0.001) 2.466 12.016 ( -0.276 3.557 2.436) 4.320 12.162 ( -2.739 -0.475 -0.311) 2.797 14.128 ( -1.391 -0.306 0.836) 1.652 14.221 ( -1.514 -2.988 -1.110) 3.529 14.514 ( 1.551 -0.391 0.139) 1.606 14.533 ( 1.218 -0.599 0.275) 1.385 14.922 ( 1.376 1.863 0.180) 2.323 15.055 ( 1.746 -2.449 -1.837) 3.524 15.091 ( -0.293 2.352 0.661) 2.461 15.246 ( -0.946 -1.168 -1.862) 2.393 17.451 ( 0.186 -0.144 -0.102) 0.257 17.514 ( 0.101 -1.748 -0.432) 1.804 17.701 ( 1.508 4.325 1.437) 4.801 17.825 ( 0.099 0.685 0.205) 0.722 22.629 ( -1.264 -0.713 0.294) 1.481 22.635 ( -0.333 -1.332 0.055) 1.374 22.884 ( 0.559 2.311 -0.221) 2.388 22.928 ( 0.822 0.943 -1.427) 1.898 24.738 ( 0.091 0.250 0.100) 0.285 24.749 ( 0.139 -0.065 -0.118) 0.194 24.869 ( 0.010 0.187 0.015) 0.188 24.873 ( 0.008 0.055 -0.048) 0.073 26.456 ( -0.021 0.534 -2.216) 2.280 26.500 ( -0.398 -0.485 -0.367) 0.727 26.616 ( 0.706 -0.702 3.031) 3.191 26.641 ( 0.509 -1.106 0.170) 1.229 39.757 ( -0.841 -1.783 0.345) 2.001 39.789 ( -0.728 -3.432 0.154) 3.511 40.183 ( 0.846 3.860 -1.082) 4.097 40.234 ( -0.605 2.403 -1.594) 2.946 42.970 ( -0.655 0.209 0.100) 0.694 42.981 ( -0.097 -0.300 -0.671) 0.741 43.281 ( -0.115 0.148 0.408) 0.449 43.289 ( 0.040 -0.153 -0.400) 0.430 48.615 ( -0.284 2.492 6.702) 7.156 48.802 ( -1.016 -3.930 5.732) 7.024 49.056 ( -1.138 -0.307 1.886) 2.224 49.129 ( -3.752 -1.219 2.015) 4.430 49.514 ( 6.042 12.533 -8.106) 16.102 49.989 ( 4.213 4.417 -13.347) 14.677 50.842 ( 8.803 -14.347 11.202) 20.219 51.162 ( 3.865 -19.137 0.754) 19.538 ======================= Grid point 85 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.008 -5.707 -10.016) 11.914 1.570 ( -1.440 -5.184 -4.676) 7.129 2.169 ( -1.694 17.816 -18.677) 25.867 2.497 ( 0.123 6.928 -0.508) 6.948 2.598 ( 2.739 4.489 -2.656) 5.891 2.712 ( -0.361 10.272 4.080) 11.059 2.841 ( 0.321 -0.016 -7.593) 7.600 2.911 ( -1.425 -2.745 -8.813) 9.340 2.917 ( -0.517 43.794 6.136) 44.225 3.389 ( 0.224 10.735 4.586) 11.676 3.582 ( 0.288 6.164 -3.764) 7.228 3.839 ( 2.839 21.418 -12.980) 25.204 3.971 ( -3.531 11.434 25.444) 28.117 4.420 ( -0.427 -0.021 -7.425) 7.437 4.604 ( -1.039 1.906 10.046) 10.278 4.697 ( 3.086 3.129 15.775) 16.376 4.941 ( -1.525 -1.187 -8.303) 8.525 5.004 ( 0.621 -6.461 12.569) 14.146 5.131 ( -0.278 0.093 0.520) 0.597 5.247 ( -0.122 -6.955 2.629) 7.436 5.251 ( -0.275 -8.532 2.259) 8.831 5.517 ( 0.024 -11.969 -5.349) 13.110 5.580 ( -2.044 -2.378 -3.462) 4.671 5.652 ( 2.478 -3.380 -11.493) 12.233 5.872 ( 0.207 -11.498 -3.351) 11.978 6.012 ( 0.899 -8.652 13.679) 16.210 6.253 ( 0.316 5.892 13.672) 14.891 6.504 ( -0.612 0.538 15.328) 15.350 6.928 ( -0.144 -8.123 -18.407) 20.121 7.033 ( 0.025 -10.713 -11.723) 15.881 7.616 ( 1.675 2.445 -8.069) 8.596 7.661 ( -1.618 0.464 -1.355) 2.161 7.895 ( -0.986 -3.716 4.852) 6.191 7.924 ( 0.464 -4.329 4.108) 5.986 8.253 ( 0.456 5.292 -2.058) 5.696 8.458 ( 0.140 0.044 10.438) 10.439 8.597 ( -1.277 6.253 5.599) 8.490 8.921 ( 1.846 -2.864 -4.400) 5.566 9.247 ( -0.141 5.978 -0.406) 5.994 9.345 ( -1.099 6.388 -10.864) 12.650 11.399 ( -0.113 -0.641 -0.148) 0.668 11.402 ( 0.089 -0.554 -0.003) 0.561 12.013 ( 0.027 3.726 2.208) 4.331 12.132 ( -0.002 0.356 -0.080) 0.365 14.115 ( 0.012 -0.823 0.930) 1.242 14.205 ( -0.009 -3.428 -1.016) 3.575 14.531 ( 0.071 -0.324 0.264) 0.424 14.545 ( -0.055 -0.695 0.105) 0.705 14.936 ( -0.019 1.954 0.113) 1.957 15.072 ( -0.253 -2.268 -2.527) 3.405 15.088 ( 0.296 2.113 1.677) 2.714 15.235 ( -0.079 -1.055 -1.672) 1.978 17.457 ( 0.309 -0.296 0.314) 0.531 17.511 ( -0.454 -1.652 -0.871) 1.922 17.721 ( 0.289 4.187 1.338) 4.406 17.824 ( -0.144 0.872 -0.287) 0.929 22.615 ( -0.017 -1.013 0.314) 1.061 22.631 ( -0.004 -1.848 -0.135) 1.853 22.891 ( 0.028 2.436 -0.100) 2.438 22.937 ( -0.005 0.753 -1.571) 1.742 24.739 ( 0.006 0.217 0.105) 0.241 24.750 ( -0.002 -0.115 -0.134) 0.176 24.869 ( -0.002 0.233 0.017) 0.234 24.873 ( 0.001 0.109 -0.046) 0.118 26.458 ( 0.172 0.525 -2.480) 2.541 26.491 ( -0.441 -0.178 -0.628) 0.787 26.624 ( -0.088 -0.587 3.446) 3.497 26.650 ( 0.348 -1.308 0.402) 1.412 39.748 ( -0.027 -2.020 0.393) 2.058 39.782 ( 0.064 -3.911 0.063) 3.912 40.191 ( 0.011 3.824 -0.755) 3.898 40.226 ( -0.058 2.311 -1.244) 2.625 42.961 ( -0.220 0.371 -0.081) 0.439 42.983 ( 0.222 -0.411 -0.616) 0.773 43.278 ( -0.207 0.310 0.276) 0.463 43.292 ( 0.227 -0.216 -0.201) 0.373 48.612 ( 0.002 2.364 6.448) 6.868 48.794 ( 0.153 -4.006 4.813) 6.264 49.055 ( 0.148 -0.562 4.349) 4.388 49.081 ( -0.150 -1.096 0.446) 1.192 49.578 ( 0.139 14.911 -7.905) 16.877 50.031 ( -0.222 2.210 -15.364) 15.524 50.928 ( -0.224 -11.884 10.547) 15.891 51.204 ( 0.149 -18.976 1.599) 19.043 ======================= Grid point 87 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.250 -3.862 -5.621) 6.824 1.613 ( 5.741 -5.376 -7.274) 10.713 1.913 ( -15.902 14.766 -9.282) 23.602 2.458 ( -4.238 6.884 0.514) 8.101 2.541 ( -5.141 11.404 3.112) 12.891 2.706 ( -1.390 4.006 3.704) 5.630 2.836 ( -1.091 -2.246 -4.623) 5.255 2.962 ( 2.412 29.119 8.906) 30.546 3.042 ( 4.591 13.349 -10.061) 17.335 3.324 ( -5.546 11.584 2.790) 13.143 3.473 ( -11.942 6.348 -1.145) 13.573 3.786 ( -6.058 4.186 8.629) 11.344 3.912 ( 3.451 21.391 -15.752) 26.788 4.370 ( -5.927 1.413 -10.243) 11.918 4.576 ( -2.611 1.159 5.075) 5.824 4.735 ( -5.800 4.079 3.975) 8.129 4.852 ( -3.011 5.562 7.805) 10.046 5.084 ( 0.126 -5.172 4.156) 6.636 5.134 ( -0.121 -0.343 10.480) 10.486 5.224 ( -0.253 -6.211 3.892) 7.334 5.279 ( 4.667 -5.111 4.705) 8.369 5.468 ( -1.123 -8.010 -1.742) 8.274 5.500 ( -1.970 -10.525 -4.159) 11.487 5.777 ( -6.787 -9.559 4.247) 12.469 5.790 ( 3.792 0.462 -5.171) 6.429 6.011 ( -1.898 -8.971 3.848) 9.944 6.129 ( -8.385 2.844 12.803) 15.567 6.459 ( -3.710 -2.493 12.656) 13.422 6.907 ( 0.102 -9.785 -19.824) 22.107 7.077 ( 1.473 -8.755 -15.364) 17.745 7.560 ( -3.584 2.825 -4.289) 6.262 7.708 ( 2.245 0.297 -1.464) 2.697 7.779 ( -6.341 -2.038 -1.677) 6.868 7.898 ( -2.748 -4.281 2.569) 5.699 8.229 ( -1.901 5.834 -1.098) 6.233 8.405 ( -5.892 3.151 3.471) 7.529 8.612 ( -4.061 2.499 5.940) 7.617 8.753 ( 1.355 -0.979 12.594) 12.704 9.287 ( 2.892 6.056 -1.340) 6.844 9.705 ( 21.370 -2.649 -13.360) 25.342 11.405 ( 0.751 0.321 0.087) 0.821 11.429 ( 2.400 -0.038 0.007) 2.400 12.017 ( 0.313 3.570 2.456) 4.345 12.162 ( 2.758 -0.407 -0.316) 2.805 14.129 ( 1.412 -0.301 0.846) 1.673 14.220 ( 1.507 -2.971 -1.117) 3.513 14.517 ( -1.497 -0.444 0.201) 1.574 14.531 ( -1.261 -0.534 0.227) 1.388 14.921 ( -1.409 1.928 0.141) 2.392 15.052 ( -1.682 -2.110 -1.600) 3.138 15.095 ( 0.288 1.852 0.514) 1.943 15.243 ( 0.811 -1.234 -1.955) 2.450 17.463 ( 0.344 -0.373 0.507) 0.717 17.497 ( -0.791 -1.204 -1.096) 1.810 17.711 ( -1.228 3.940 1.723) 4.472 17.820 ( -0.204 0.807 -0.024) 0.832 22.628 ( 1.192 -0.672 0.264) 1.393 22.635 ( 0.386 -1.384 0.069) 1.439 22.885 ( -0.522 2.273 -0.191) 2.340 22.928 ( -0.829 0.951 -1.444) 1.917 24.738 ( -0.083 0.248 0.107) 0.283 24.749 ( -0.142 -0.058 -0.123) 0.197 24.869 ( -0.014 0.184 0.013) 0.185 24.873 ( -0.005 0.058 -0.046) 0.074 26.463 ( 0.358 0.480 -2.097) 2.181 26.483 ( -0.274 0.095 -0.701) 0.759 26.613 ( -0.892 -0.685 3.208) 3.399 26.654 ( -0.002 -1.607 0.207) 1.621 39.756 ( 0.798 -1.779 0.313) 1.975 39.791 ( 0.825 -3.520 0.217) 3.622 40.183 ( -0.851 3.771 -1.087) 4.015 40.232 ( 0.540 2.554 -1.624) 3.075 42.962 ( 0.355 0.429 -0.210) 0.596 42.989 ( 0.401 -0.531 -0.363) 0.758 43.273 ( -0.161 0.371 0.099) 0.416 43.297 ( 0.266 -0.363 -0.077) 0.457 48.615 ( 0.291 2.496 6.701) 7.156 48.808 ( 1.227 -4.095 5.862) 7.255 49.060 ( 1.307 -0.488 1.643) 2.156 49.126 ( 3.607 -1.008 2.278) 4.383 49.519 ( -5.924 12.394 -7.919) 15.856 49.981 ( -4.454 4.613 -13.665) 15.095 50.835 ( -8.973 -14.081 10.996) 19.992 51.166 ( -3.824 -19.329 0.940) 19.726 ======================= Grid point 88 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -3.024 4.766 -3.269) 6.523 1.713 ( -0.140 9.249 2.299) 9.532 1.767 ( 6.182 -4.851 0.661) 7.886 2.338 ( -6.854 10.435 2.639) 12.760 2.441 ( -5.606 8.009 2.549) 10.103 2.643 ( -9.608 4.072 5.396) 11.747 2.722 ( -15.155 7.543 -3.231) 17.234 2.862 ( -7.158 2.835 7.182) 10.529 2.958 ( -6.511 -2.526 9.042) 11.425 3.019 ( -33.479 -1.233 -5.365) 33.929 3.302 ( 3.213 35.593 7.900) 36.601 3.790 ( -0.060 7.599 -14.962) 16.781 3.955 ( -0.040 18.327 -16.685) 24.784 4.200 ( -6.589 10.366 -15.790) 20.005 4.478 ( -5.360 2.000 1.723) 5.975 4.607 ( -2.927 3.643 4.865) 6.746 4.786 ( -3.643 6.534 9.419) 12.028 5.001 ( -7.489 0.012 7.443) 10.559 5.078 ( -2.217 -0.134 2.455) 3.311 5.175 ( -7.241 -0.618 15.219) 16.866 5.282 ( -1.001 -2.223 4.799) 5.382 5.525 ( 2.875 -10.360 -2.523) 11.044 5.601 ( 10.719 -8.888 4.400) 14.603 5.739 ( 2.894 -8.805 2.438) 9.584 5.767 ( -4.628 1.794 -0.093) 4.964 5.948 ( -3.777 -6.695 -11.367) 13.723 6.008 ( -3.768 -7.663 13.761) 16.196 6.384 ( -3.098 -6.283 8.742) 11.202 6.952 ( 3.371 -10.687 -21.129) 23.917 7.049 ( -2.695 -5.886 -18.778) 19.862 7.543 ( 2.394 3.163 -1.841) 4.373 7.677 ( -1.766 0.546 -3.233) 3.724 7.763 ( 0.931 -0.592 -4.149) 4.293 7.825 ( -3.904 -2.840 -0.513) 4.855 8.196 ( -1.822 5.393 -0.842) 5.754 8.289 ( -1.639 6.562 0.375) 6.774 8.582 ( 1.712 -1.842 18.755) 18.922 8.882 ( 7.603 -5.609 16.436) 18.958 9.300 ( -2.380 5.091 -1.601) 5.843 9.986 ( 4.169 -12.418 -14.659) 19.659 11.427 ( 1.493 1.859 1.696) 2.926 11.497 ( 4.063 0.671 -0.216) 4.124 12.024 ( 0.333 3.209 2.991) 4.399 12.233 ( 3.888 -2.095 -1.011) 4.531 14.177 ( 3.530 1.202 0.253) 3.738 14.263 ( 2.542 -1.671 -1.340) 3.324 14.475 ( -2.384 -0.512 0.134) 2.442 14.497 ( -2.040 -0.322 0.419) 2.107 14.881 ( -2.435 1.665 0.228) 2.958 15.001 ( -3.523 -2.858 -1.772) 4.870 15.100 ( 0.167 2.761 0.014) 2.766 15.264 ( 1.133 -1.533 -2.552) 3.186 17.473 ( 0.714 -0.303 0.461) 0.902 17.485 ( -0.281 -0.700 -0.949) 1.212 17.678 ( -1.785 4.021 2.613) 5.117 17.816 ( -0.166 0.372 0.699) 0.809 22.638 ( -0.102 -0.124 0.607) 0.627 22.662 ( 1.924 -0.372 0.104) 1.963 22.878 ( 0.075 2.069 -0.459) 2.120 22.913 ( -0.289 1.661 -1.229) 2.086 24.736 ( -0.124 0.321 0.108) 0.361 24.745 ( -0.200 0.071 -0.085) 0.228 24.869 ( -0.051 0.059 0.010) 0.078 24.872 ( -0.021 -0.071 -0.046) 0.088 26.477 ( 1.132 0.280 -1.342) 1.778 26.481 ( 0.070 0.278 -0.451) 0.534 26.591 ( -1.167 -0.673 2.407) 2.759 26.649 ( -0.399 -1.874 -0.374) 1.952 39.781 ( 1.632 -1.135 0.117) 1.991 39.814 ( 1.377 -2.237 0.632) 2.702 40.157 ( -1.700 3.824 -2.051) 4.661 40.241 ( 0.050 2.743 -3.262) 4.262 42.976 ( 1.007 0.387 -0.222) 1.102 43.000 ( 0.652 -0.501 -0.057) 0.824 43.272 ( 0.066 0.339 -0.017) 0.345 43.302 ( 0.237 -0.528 -0.079) 0.585 48.624 ( 0.552 2.870 7.406) 7.962 48.843 ( 2.377 -4.346 8.517) 9.853 49.115 ( 4.008 0.211 0.310) 4.025 49.212 ( 4.717 -1.257 1.923) 5.246 49.351 ( -9.890 6.353 -7.159) 13.764 49.869 ( -6.166 10.063 -9.680) 15.264 50.555 ( -19.238 -20.231 14.218) 31.330 51.058 ( -6.429 -19.524 -1.052) 20.582 ======================= Grid point 89 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -34.049 5.659 4.728) 34.839 1.730 ( 0.432 15.238 12.892) 19.964 1.881 ( -5.719 -8.559 1.716) 10.436 2.076 ( -28.989 1.848 0.815) 29.059 2.123 ( -15.676 6.478 -1.734) 17.051 2.234 ( -10.861 8.812 3.517) 14.422 2.381 ( -5.656 5.131 -1.646) 7.812 2.631 ( -3.374 -1.129 5.412) 6.477 2.785 ( -2.059 -5.477 14.792) 15.907 2.884 ( -1.265 -6.778 0.110) 6.896 3.397 ( 4.743 41.543 7.887) 42.550 3.689 ( -6.060 19.093 -4.066) 20.440 3.941 ( -1.424 12.443 -16.724) 20.894 4.155 ( -0.364 19.790 -14.272) 24.402 4.460 ( 2.296 0.597 -1.579) 2.850 4.593 ( 0.924 2.271 4.029) 4.716 4.713 ( -3.309 4.570 7.911) 9.717 4.825 ( -8.241 1.679 9.439) 12.642 5.051 ( -0.675 2.674 3.529) 4.479 5.066 ( -3.067 0.373 10.878) 11.308 5.307 ( 2.251 -0.364 0.441) 2.322 5.553 ( -0.235 -5.393 -3.948) 6.688 5.693 ( -0.694 -3.541 -0.428) 3.634 5.740 ( 2.046 -10.368 -4.545) 11.504 5.786 ( -0.237 -5.591 3.864) 6.800 5.878 ( -2.263 -4.267 -10.109) 11.204 5.988 ( 1.860 -16.745 8.245) 18.757 6.340 ( -1.264 -6.308 5.868) 8.708 6.953 ( -1.784 -9.068 -14.983) 17.605 7.086 ( 4.866 -4.017 -25.378) 26.150 7.604 ( 1.820 1.954 0.372) 2.696 7.667 ( 0.223 1.369 -4.778) 4.975 7.747 ( -1.753 0.504 -2.841) 3.376 7.797 ( 1.264 -2.719 -0.541) 3.047 8.144 ( -2.168 4.265 -1.231) 4.940 8.404 ( 11.649 8.877 -2.551) 14.866 8.648 ( 4.896 -4.358 21.018) 22.016 9.032 ( 7.247 -8.812 17.278) 20.705 9.198 ( -6.820 1.304 -0.655) 6.974 9.826 ( -19.608 -18.420 -8.636) 28.255 11.463 ( 1.723 1.575 4.751) 5.294 11.574 ( 3.086 0.690 0.183) 3.167 12.029 ( 0.142 2.830 3.403) 4.429 12.303 ( 2.704 -3.555 -1.972) 4.882 14.274 ( 5.773 2.535 -1.798) 6.556 14.313 ( 2.078 0.017 -1.374) 2.492 14.431 ( -1.693 -0.487 0.094) 1.764 14.455 ( -1.898 0.026 0.139) 1.903 14.831 ( -2.134 0.966 0.364) 2.371 14.908 ( -5.381 -2.233 -1.351) 5.981 15.103 ( 0.122 3.625 -0.420) 3.651 15.284 ( 0.781 -1.717 -3.100) 3.629 17.487 ( 0.479 -0.251 -0.616) 0.820 17.493 ( 1.049 -0.320 0.319) 1.142 17.644 ( -1.445 4.507 3.714) 6.016 17.815 ( 0.108 -0.370 1.393) 1.445 22.631 ( -0.496 0.698 1.275) 1.536 22.695 ( 1.056 -0.866 -0.252) 1.389 22.889 ( 0.761 2.494 -0.582) 2.672 22.927 ( 1.712 2.345 -1.872) 3.455 24.734 ( -0.091 0.392 0.114) 0.419 24.741 ( -0.138 0.189 -0.032) 0.236 24.867 ( -0.087 -0.077 0.029) 0.120 24.872 ( -0.027 -0.212 -0.049) 0.220 26.486 ( 0.530 0.480 -0.177) 0.736 26.506 ( 1.397 -0.102 -0.242) 1.422 26.571 ( -0.694 -0.399 0.996) 1.278 26.639 ( -0.572 -1.977 -1.032) 2.302 39.817 ( 1.653 -0.389 0.300) 1.725 39.847 ( 1.854 -0.545 0.860) 2.116 40.122 ( -1.337 3.677 -3.375) 5.167 40.226 ( -1.599 2.944 -6.994) 7.755 42.999 ( 1.105 0.323 -0.135) 1.160 43.016 ( 0.868 -0.247 -0.004) 0.902 43.276 ( 0.262 0.243 -0.004) 0.357 43.306 ( 0.130 -0.610 -0.199) 0.655 48.636 ( 0.550 3.381 8.187) 8.875 48.906 ( 3.131 -4.924 10.247) 11.792 49.182 ( -3.394 0.722 -2.449) 4.247 49.208 ( 4.174 0.890 0.806) 4.343 49.304 ( 3.724 -1.917 0.592) 4.230 49.749 ( -5.184 14.798 -6.169) 16.849 50.055 ( -28.903 -23.947 24.229) 44.676 50.934 ( -5.030 -19.085 -3.378) 20.023 ======================= Grid point 90 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 1.306 14.514 6.379) 15.908 1.083 ( 0.949 -14.688 1.824) 14.831 2.022 ( -0.137 0.166 -0.034) 0.218 2.038 ( 2.110 -0.101 -0.050) 2.113 2.212 ( -2.179 14.571 13.449) 19.949 2.289 ( -4.036 5.030 -1.346) 6.588 2.406 ( 3.706 4.666 2.969) 6.657 2.569 ( 0.320 -7.643 16.467) 18.157 2.603 ( -0.163 -0.840 4.882) 4.956 2.721 ( -0.203 -8.337 0.154) 8.340 3.959 ( 0.019 12.125 -6.486) 13.751 4.067 ( -0.008 2.629 -9.636) 9.988 4.248 ( 0.190 33.177 2.497) 33.271 4.517 ( -1.177 7.409 -3.561) 8.304 4.524 ( 2.045 2.110 -0.348) 2.959 4.616 ( 0.493 -2.674 2.864) 3.949 4.721 ( -0.884 7.686 1.291) 7.844 4.842 ( -0.130 9.526 9.054) 13.143 5.016 ( -1.193 -7.415 -12.376) 14.476 5.033 ( -0.414 -3.194 9.909) 10.419 5.329 ( 4.235 -6.021 -1.750) 7.566 5.432 ( -5.192 -12.327 -9.870) 16.623 5.521 ( 1.804 1.647 -2.155) 3.258 5.631 ( -1.394 5.378 12.000) 13.223 5.681 ( 0.280 -12.688 -1.124) 12.741 5.737 ( -0.493 1.662 -0.213) 1.746 5.838 ( -0.210 -1.174 -1.024) 1.572 6.032 ( 1.026 -20.198 8.513) 21.943 6.957 ( -0.188 6.405 -16.843) 18.020 7.080 ( 0.677 -4.761 -22.200) 22.715 7.639 ( -0.249 0.943 0.064) 0.977 7.657 ( -0.607 -0.432 -2.421) 2.533 7.751 ( -0.286 0.628 0.796) 1.053 7.790 ( 1.021 -1.029 3.031) 3.360 8.276 ( 0.880 11.155 -0.828) 11.220 8.560 ( -0.943 -13.833 12.468) 18.646 8.730 ( -0.591 6.382 -5.593) 8.506 8.891 ( -0.368 -8.711 5.455) 10.284 9.169 ( -4.722 0.224 3.396) 5.820 9.220 ( 5.884 -5.130 5.817) 9.735 11.527 ( -0.023 3.207 3.715) 4.908 11.587 ( 0.013 -2.495 1.833) 3.096 12.117 ( -0.033 5.811 1.651) 6.041 12.234 ( -0.047 -5.785 -0.539) 5.811 14.350 ( -0.117 0.866 -0.613) 1.068 14.365 ( -0.065 -0.531 -0.989) 1.124 14.424 ( -0.256 0.510 -1.538) 1.640 14.430 ( 0.392 -0.064 -1.139) 1.206 14.818 ( 0.135 0.290 0.365) 0.486 14.824 ( -0.129 -0.258 0.089) 0.301 15.184 ( 0.073 3.913 -2.277) 4.528 15.250 ( 0.141 -2.772 -3.035) 4.113 17.495 ( 0.128 -0.061 -0.158) 0.212 17.497 ( -0.130 -0.180 -0.196) 0.297 17.717 ( -0.020 4.152 4.211) 5.913 17.784 ( -0.047 -2.620 3.500) 4.373 22.648 ( 0.006 1.416 0.980) 1.722 22.677 ( 0.016 -1.497 0.321) 1.531 22.946 ( -0.054 1.891 -0.680) 2.010 22.968 ( 0.039 -0.354 -1.340) 1.387 24.740 ( 0.015 0.255 0.092) 0.272 24.743 ( -0.019 0.046 0.057) 0.076 24.865 ( 0.008 -0.021 0.019) 0.029 24.867 ( -0.008 -0.173 -0.015) 0.174 26.508 ( 0.166 0.421 0.254) 0.520 26.514 ( -0.182 -0.194 0.099) 0.284 26.570 ( 0.166 0.615 -0.596) 0.872 26.593 ( -0.161 -1.633 -1.288) 2.086 39.846 ( -0.112 0.702 0.856) 1.112 39.860 ( 0.093 -0.759 0.586) 0.963 40.178 ( 0.075 3.013 -4.543) 5.452 40.218 ( -0.048 -0.866 -6.928) 6.982 43.019 ( 0.101 0.227 -0.174) 0.303 43.023 ( -0.096 -0.146 -0.306) 0.352 43.285 ( 0.063 0.343 -0.052) 0.353 43.294 ( -0.084 -0.551 -0.247) 0.610 48.726 ( -0.067 4.838 9.895) 11.014 48.825 ( 0.010 -5.246 9.010) 10.426 49.253 ( 0.340 -0.509 2.870) 2.935 49.267 ( 1.299 -1.951 3.719) 4.396 49.288 ( -1.914 2.267 4.888) 5.718 49.365 ( 0.197 -6.327 15.000) 16.281 50.067 ( 0.056 20.565 -6.830) 21.670 50.480 ( 0.087 -21.521 -6.615) 22.515 ======================= Grid point 91 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 26.494 5.254 0.942) 27.026 1.693 ( 20.081 -6.996 5.539) 21.974 2.043 ( 0.563 7.215 6.967) 10.046 2.108 ( 17.911 0.286 1.820) 18.005 2.156 ( 19.776 1.405 -6.077) 20.737 2.362 ( 7.822 5.864 2.032) 9.985 2.483 ( 4.740 5.741 -0.195) 7.447 2.609 ( 2.143 -0.093 3.433) 4.048 2.689 ( 4.657 -3.894 9.887) 11.602 2.751 ( 6.393 -7.378 8.677) 13.061 3.982 ( 1.686 11.183 -7.821) 13.750 4.055 ( -1.096 6.886 -7.534) 10.266 4.244 ( -1.021 29.610 -3.124) 29.792 4.455 ( -2.667 4.432 -3.647) 6.329 4.565 ( 0.479 8.045 -2.235) 8.363 4.642 ( 1.856 1.246 1.871) 2.915 4.770 ( 4.917 2.760 2.987) 6.381 4.881 ( 3.125 7.030 3.835) 8.596 4.987 ( -0.469 -6.090 -5.442) 8.180 5.064 ( 3.635 -5.060 10.721) 12.400 5.268 ( -4.926 -7.688 -0.677) 9.156 5.403 ( -5.303 -5.228 1.360) 7.570 5.460 ( -0.788 -4.943 -4.780) 6.921 5.612 ( -5.728 -11.205 1.155) 12.637 5.717 ( 5.407 3.773 5.153) 8.368 5.778 ( 2.057 -0.298 -1.499) 2.563 5.853 ( 3.487 -0.733 -0.232) 3.571 6.105 ( 5.427 -16.151 13.866) 21.968 6.907 ( -4.147 2.214 -19.508) 20.066 7.039 ( -3.182 -2.781 -17.661) 18.159 7.637 ( -0.391 0.785 -1.485) 1.724 7.648 ( -1.093 0.179 -0.425) 1.186 7.725 ( -1.279 0.315 -1.753) 2.192 7.804 ( 0.424 -0.790 2.600) 2.750 8.279 ( -0.106 8.021 0.545) 8.040 8.441 ( -7.902 -6.415 2.851) 10.570 8.642 ( -3.514 6.327 11.935) 13.958 8.821 ( -4.704 -10.307 9.483) 14.774 9.248 ( 12.107 2.100 -4.738) 13.169 9.575 ( 17.003 -7.738 -2.736) 18.880 11.509 ( -1.693 2.891 2.731) 4.322 11.561 ( -2.473 -1.947 1.310) 3.409 12.110 ( -0.552 5.291 1.763) 5.604 12.216 ( -1.624 -5.148 -0.206) 5.402 14.304 ( -4.993 0.820 -1.367) 5.241 14.312 ( -3.705 -0.103 -1.183) 3.891 14.423 ( 1.522 -0.146 -0.326) 1.564 14.458 ( 1.505 -0.018 0.057) 1.506 14.851 ( 3.005 0.903 -0.089) 3.139 14.876 ( 3.941 -1.151 -0.434) 4.128 15.179 ( -0.542 3.855 -1.874) 4.321 15.246 ( -0.561 -2.739 -2.625) 3.834 17.481 ( -1.102 0.376 -0.355) 1.217 17.491 ( -0.460 -0.632 -0.150) 0.796 17.724 ( 0.698 3.745 3.759) 5.352 17.791 ( 0.738 -2.144 3.212) 3.932 22.650 ( -0.001 1.169 0.721) 1.373 22.675 ( -0.423 -1.228 0.185) 1.312 22.926 ( -1.462 1.238 -0.755) 2.059 22.953 ( -1.228 0.381 -0.723) 1.475 24.740 ( 0.045 0.273 0.073) 0.286 24.743 ( 0.067 -0.009 0.028) 0.073 24.866 ( 0.159 -0.005 0.008) 0.159 24.868 ( 0.120 -0.138 -0.023) 0.185 26.495 ( -1.060 0.409 -0.336) 1.185 26.505 ( -0.665 -0.269 0.108) 0.725 26.578 ( 0.536 0.184 0.040) 0.568 26.596 ( 0.509 -1.100 -0.765) 1.433 39.811 ( -2.501 -0.097 0.040) 2.503 39.839 ( -2.305 -0.296 0.720) 2.433 40.185 ( 1.213 2.217 -4.378) 5.055 40.251 ( 1.935 0.043 -4.602) 4.992 43.008 ( -1.101 0.045 -0.180) 1.116 43.010 ( -0.962 0.041 -0.117) 0.970 43.285 ( -0.109 0.144 0.027) 0.182 43.291 ( -0.208 -0.315 -0.230) 0.442 48.706 ( -1.151 3.585 8.647) 9.431 48.814 ( -2.677 -4.050 12.439) 13.353 49.199 ( 7.030 0.570 -4.677) 8.463 49.220 ( -4.566 0.858 -0.222) 4.651 49.273 ( -2.970 -1.019 2.191) 3.829 49.743 ( 24.668 -7.457 19.194) 32.133 50.082 ( 1.831 15.936 -9.491) 18.639 50.561 ( 6.982 -17.711 -2.889) 19.256 ======================= Grid point 92 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -4.254 0.413 -11.626) 12.387 1.677 ( -6.483 -2.237 0.733) 6.897 2.003 ( 1.787 5.122 9.097) 10.592 2.475 ( 8.215 5.459 1.512) 9.978 2.535 ( 4.638 6.899 -0.962) 8.368 2.642 ( 5.552 -2.352 0.939) 6.102 2.716 ( 1.642 -4.494 -1.917) 5.155 2.925 ( 26.578 4.435 8.547) 28.269 2.961 ( 19.295 0.454 6.959) 20.517 3.012 ( 36.475 -2.569 -4.785) 36.877 3.937 ( -6.557 5.027 -9.726) 12.762 4.055 ( -1.243 23.697 -3.701) 24.016 4.209 ( 0.807 17.638 -12.003) 21.350 4.464 ( 2.812 8.500 -3.075) 9.466 4.557 ( -0.114 5.475 -1.850) 5.780 4.704 ( 4.409 3.588 0.386) 5.697 4.805 ( -1.027 -3.827 -4.032) 5.653 4.984 ( 5.463 -4.154 -0.696) 6.899 5.027 ( 2.961 -1.016 8.961) 9.492 5.163 ( 3.473 -3.956 10.141) 11.426 5.223 ( 0.562 -11.636 0.775) 11.675 5.306 ( -0.598 -0.629 1.839) 2.034 5.382 ( -8.395 -6.256 3.754) 11.122 5.497 ( -3.287 -7.298 4.808) 9.338 5.778 ( 0.342 0.194 2.315) 2.348 5.809 ( 1.625 -2.067 -3.867) 4.676 5.992 ( 9.108 1.329 8.660) 12.638 6.242 ( 8.476 -9.241 18.810) 22.606 6.820 ( -3.697 -2.683 -20.529) 21.031 6.998 ( -0.998 -1.657 -15.351) 15.472 7.588 ( -2.383 1.214 -0.820) 2.797 7.660 ( 2.720 0.011 -0.141) 2.724 7.742 ( 2.534 -0.519 -1.755) 3.126 7.799 ( -1.172 -0.518 0.156) 1.291 8.257 ( -0.815 3.713 -0.478) 3.831 8.386 ( 1.581 0.881 3.652) 4.076 8.601 ( -0.229 2.387 11.983) 12.220 8.751 ( -2.356 -6.584 9.896) 12.117 9.443 ( 5.058 6.279 -8.329) 11.592 9.773 ( 1.435 -8.623 -8.034) 11.872 11.463 ( -2.729 1.659 0.988) 3.343 11.496 ( -3.649 -0.714 0.583) 3.764 12.097 ( -0.670 4.230 1.835) 4.660 12.176 ( -2.111 -3.574 0.393) 4.169 14.201 ( -4.453 1.343 -0.435) 4.672 14.230 ( -3.923 -1.575 -0.902) 4.322 14.466 ( 2.387 -0.183 -0.141) 2.399 14.493 ( 1.821 -0.169 0.384) 1.869 14.915 ( 2.920 1.724 -0.359) 3.410 14.953 ( 3.363 -2.086 -1.059) 4.096 15.165 ( -0.812 3.627 -0.875) 3.818 15.229 ( -1.005 -2.683 -1.822) 3.395 17.463 ( -0.535 0.816 -0.482) 1.088 17.484 ( -0.216 -1.232 -0.352) 1.299 17.744 ( 1.246 2.983 2.635) 4.171 17.809 ( 0.935 -1.200 2.522) 2.945 22.641 ( -0.958 0.313 0.139) 1.017 22.654 ( -1.610 -0.512 -0.007) 1.689 22.907 ( -0.110 0.863 -0.494) 1.000 22.935 ( -0.280 0.546 -0.244) 0.660 24.742 ( 0.063 0.250 0.038) 0.260 24.745 ( 0.093 -0.076 -0.018) 0.122 24.870 ( 0.157 0.041 -0.009) 0.162 24.871 ( 0.143 -0.057 -0.031) 0.157 26.476 ( -0.674 0.822 -1.026) 1.478 26.493 ( -0.430 -0.810 -0.450) 1.022 26.591 ( 0.768 -0.141 1.006) 1.274 26.610 ( 0.774 -0.654 0.453) 1.110 39.762 ( -2.088 -0.602 -0.244) 2.187 39.785 ( -2.581 -0.648 0.278) 2.676 40.216 ( 1.467 1.863 -2.675) 3.575 40.273 ( 0.217 0.560 -2.337) 2.413 42.986 ( -0.884 0.009 -0.206) 0.908 42.990 ( -0.879 0.018 -0.065) 0.882 43.283 ( -0.063 -0.001 0.062) 0.089 43.288 ( -0.084 -0.086 -0.069) 0.138 48.685 ( -0.959 3.425 7.841) 8.610 48.759 ( -2.006 -3.762 8.575) 9.577 49.119 ( -4.610 0.414 -0.619) 4.670 49.191 ( -4.311 -0.955 2.888) 5.276 49.456 ( 14.878 3.781 -10.958) 18.861 50.062 ( 2.930 5.422 -8.113) 10.189 50.282 ( 19.866 -4.600 11.679) 23.499 50.718 ( 7.515 -13.369 2.700) 15.572 ======================= Grid point 93 (48/84) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.786 -1.345 -14.812) 14.894 1.559 ( -4.665 -1.997 -1.706) 5.354 2.180 ( 15.811 5.852 -4.241) 17.384 2.601 ( 2.917 6.675 -1.956) 7.543 2.618 ( 4.931 4.776 0.541) 6.886 2.722 ( 2.195 -1.320 -0.360) 2.587 2.746 ( 2.008 -5.535 -1.800) 6.157 3.010 ( -7.177 -1.117 -4.886) 8.754 3.468 ( 15.465 8.332 1.158) 17.605 3.536 ( 15.493 1.468 -0.988) 15.593 3.812 ( -2.558 12.226 0.368) 12.497 4.024 ( 1.772 30.135 4.148) 30.471 4.282 ( 2.626 7.946 -7.704) 11.375 4.498 ( 1.420 13.376 -6.745) 15.047 4.594 ( 2.828 -1.086 5.383) 6.177 4.754 ( -0.510 -11.182 -4.182) 11.949 4.841 ( 3.782 -3.178 -4.519) 6.695 4.935 ( -13.990 -1.904 18.273) 23.092 5.061 ( 2.579 -6.953 -2.036) 7.691 5.174 ( -0.910 -7.216 0.608) 7.299 5.187 ( -5.556 -2.619 0.741) 6.187 5.220 ( -0.351 -7.502 -0.405) 7.521 5.388 ( 6.492 -2.754 -0.923) 7.112 5.579 ( 5.132 -3.135 4.397) 7.450 5.764 ( -0.868 0.786 0.735) 1.383 5.835 ( 1.586 -6.104 6.294) 8.910 6.199 ( 11.087 2.820 15.569) 19.321 6.423 ( 7.628 -2.698 17.449) 19.233 6.787 ( 0.934 -3.459 -17.758) 18.116 6.960 ( -3.642 -2.772 -12.641) 13.444 7.585 ( 2.031 0.949 -3.324) 4.009 7.728 ( -0.987 0.145 1.673) 1.947 7.784 ( 3.953 -0.443 1.038) 4.111 7.812 ( 3.674 -1.904 0.523) 4.171 8.289 ( 3.474 3.029 0.664) 4.657 8.423 ( 1.027 -0.620 5.927) 6.047 8.663 ( 6.431 0.965 3.683) 7.473 8.736 ( 1.757 -0.433 5.448) 5.741 9.434 ( -4.849 6.205 -8.483) 11.575 9.643 ( -12.736 -4.060 -9.520) 16.411 11.410 ( -2.114 0.155 0.061) 2.121 11.427 ( -2.850 -0.089 0.280) 2.865 12.086 ( -0.409 3.380 1.700) 3.806 12.139 ( -1.359 -1.947 0.718) 2.480 14.134 ( -2.174 0.946 0.139) 2.375 14.167 ( -2.200 -2.355 -0.536) 3.267 14.509 ( 1.668 -0.138 -0.070) 1.675 14.524 ( 1.044 -0.280 0.188) 1.097 14.961 ( 1.572 2.132 -0.481) 2.692 15.006 ( 1.757 -2.431 -1.353) 3.291 15.150 ( -0.584 3.358 0.079) 3.409 15.210 ( -0.772 -2.561 -1.108) 2.895 17.459 ( 0.058 0.875 -0.453) 0.987 17.482 ( 0.032 -1.456 -0.594) 1.572 17.772 ( 1.391 2.678 1.729) 3.478 17.824 ( 0.396 -0.742 1.626) 1.831 22.616 ( -1.258 -0.442 -0.254) 1.358 22.621 ( -1.355 -0.304 -0.089) 1.391 22.918 ( 0.840 1.060 -0.244) 1.375 22.939 ( 0.402 0.164 -0.341) 0.552 24.743 ( 0.049 0.228 0.021) 0.234 24.747 ( 0.062 -0.146 -0.052) 0.167 24.872 ( 0.081 0.097 -0.014) 0.127 24.873 ( 0.084 0.006 -0.033) 0.091 26.469 ( -0.050 0.765 -1.670) 1.837 26.487 ( -0.196 -0.729 -1.201) 1.418 26.608 ( 0.837 -0.162 2.041) 2.212 26.623 ( 0.416 -0.587 1.366) 1.544 39.730 ( -1.059 -0.808 -0.194) 1.346 39.743 ( -1.488 -1.210 -0.000) 1.918 40.238 ( 0.729 1.643 -1.397) 2.277 40.266 ( -0.639 0.763 -1.244) 1.593 42.974 ( -0.401 0.107 -0.194) 0.458 42.977 ( -0.321 -0.110 -0.334) 0.476 43.283 ( 0.079 0.057 0.183) 0.207 43.287 ( -0.021 -0.049 0.017) 0.056 48.669 ( -0.572 3.035 6.652) 7.334 48.732 ( -0.857 -3.387 6.298) 7.202 49.054 ( -1.575 0.008 0.691) 1.720 49.109 ( -3.524 -0.676 3.268) 4.853 49.731 ( 11.306 7.964 -13.950) 19.643 50.072 ( -1.173 2.615 -15.578) 15.839 50.622 ( 12.350 -5.685 13.466) 19.136 50.836 ( 3.745 -12.051 6.408) 14.153 ======================= Grid point 94 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.445 -2.052 -9.428) 9.954 1.499 ( -1.162 -1.931 -4.198) 4.764 2.487 ( -1.916 14.268 -16.533) 21.922 2.632 ( -1.138 6.628 -3.205) 7.449 2.676 ( 5.540 1.048 -5.945) 8.193 2.731 ( -1.296 -2.553 -2.055) 3.524 2.752 ( -1.198 -5.490 0.634) 5.654 2.806 ( 0.276 -5.333 -7.799) 9.452 3.606 ( -0.310 9.298 1.276) 9.390 3.680 ( 0.010 2.073 -1.138) 2.365 3.809 ( -0.104 34.527 7.260) 35.282 4.141 ( 0.703 0.427 2.548) 2.677 4.228 ( -4.313 18.558 7.896) 20.623 4.529 ( 0.038 13.078 -9.188) 15.983 4.642 ( -5.245 0.014 11.289) 12.448 4.700 ( 8.490 -3.897 13.299) 16.252 4.751 ( -0.388 -13.908 -1.346) 13.978 4.871 ( -0.553 -7.929 -5.799) 9.839 5.088 ( -0.131 -3.787 -0.677) 3.849 5.145 ( -0.070 -2.584 -0.709) 2.680 5.169 ( 0.444 -6.588 -1.335) 6.736 5.213 ( -0.366 -8.456 -2.488) 8.822 5.522 ( -7.913 -3.687 -3.887) 9.556 5.581 ( 10.358 -1.949 -4.827) 11.593 5.751 ( -1.019 0.277 3.288) 3.453 5.867 ( 0.689 -6.408 10.698) 12.489 6.367 ( 2.178 4.753 16.764) 17.560 6.482 ( -2.408 -2.135 20.346) 20.599 6.834 ( -1.311 -1.212 -14.580) 14.689 6.877 ( 1.022 -5.182 -12.665) 13.722 7.645 ( 2.699 0.774 -4.398) 5.218 7.663 ( -2.936 -0.143 -2.061) 3.590 7.840 ( -1.426 -1.598 3.619) 4.205 7.865 ( 0.839 -1.616 4.727) 5.065 8.351 ( 1.266 4.499 2.225) 5.176 8.428 ( 0.185 -2.780 7.948) 8.422 8.727 ( -0.384 6.650 1.883) 6.922 8.843 ( 0.669 -5.110 -1.321) 5.320 9.362 ( -0.352 5.089 -7.374) 8.966 9.414 ( -1.032 0.304 -11.236) 11.288 11.391 ( -0.057 -0.180 0.016) 0.189 11.393 ( 0.054 -0.360 0.041) 0.366 12.082 ( 0.032 3.081 1.608) 3.476 12.125 ( 0.030 -1.256 0.801) 1.490 14.112 ( 0.014 0.692 0.286) 0.749 14.144 ( 0.001 -2.553 -0.407) 2.586 14.528 ( 0.047 0.033 0.073) 0.093 14.533 ( -0.027 -0.466 -0.006) 0.466 14.977 ( 0.000 2.259 -0.523) 2.318 15.023 ( -0.021 -2.507 -1.484) 2.913 15.143 ( -0.017 3.186 0.475) 3.221 15.201 ( -0.086 -2.467 -0.856) 2.613 17.462 ( 0.123 0.709 -0.336) 0.795 17.482 ( -0.156 -1.312 -0.769) 1.529 17.790 ( 0.105 2.787 1.606) 3.218 17.826 ( -0.052 -0.815 1.035) 1.318 22.602 ( 0.023 -0.340 -0.203) 0.396 22.606 ( -0.049 -0.719 -0.283) 0.774 22.929 ( -0.002 1.361 -0.070) 1.363 22.944 ( 0.012 -0.175 -0.550) 0.578 24.743 ( 0.006 0.220 0.019) 0.221 24.747 ( 0.000 -0.175 -0.065) 0.186 24.873 ( -0.004 0.116 -0.016) 0.118 24.874 ( 0.004 0.032 -0.032) 0.046 26.471 ( 0.111 0.722 -2.049) 2.176 26.484 ( -0.135 -0.553 -1.418) 1.528 26.618 ( -0.066 0.066 2.633) 2.634 26.627 ( 0.097 -0.881 1.538) 1.775 39.720 ( -0.010 -0.698 -0.094) 0.705 39.728 ( 0.020 -1.613 -0.138) 1.619 40.246 ( -0.120 1.724 -0.904) 1.950 40.257 ( 0.092 0.640 -1.044) 1.228 42.969 ( -0.100 0.354 -0.255) 0.447 42.976 ( 0.098 -0.351 -0.418) 0.555 43.283 ( -0.092 0.253 0.212) 0.342 43.288 ( 0.117 -0.200 0.088) 0.248 48.664 ( 0.015 2.893 6.163) 6.808 48.724 ( 0.077 -3.292 5.549) 6.452 49.050 ( -0.029 0.162 3.161) 3.165 49.061 ( 0.041 -0.883 1.746) 1.957 49.866 ( 0.099 13.608 -13.419) 19.112 50.042 ( -0.161 -3.228 -18.534) 18.814 50.754 ( -0.107 -3.064 13.081) 13.435 50.868 ( 0.061 -13.595 7.549) 15.550 ======================= Grid point 96 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 2.140 -1.184 -5.690) 6.194 1.531 ( 5.681 -2.561 -5.097) 8.051 2.138 ( -18.102 6.775 -11.555) 22.519 2.597 ( -3.089 7.216 -0.546) 7.868 2.667 ( -3.731 4.225 2.201) 6.051 2.712 ( -2.951 -2.960 1.812) 4.556 2.752 ( -0.834 -4.858 -1.320) 5.103 3.010 ( 6.398 -0.427 -4.895) 8.067 3.461 ( -15.355 8.923 1.116) 17.794 3.538 ( -15.708 0.922 -0.724) 15.752 3.777 ( 0.283 10.935 -0.232) 10.941 4.003 ( -1.579 26.340 2.027) 26.465 4.260 ( 0.003 11.195 -6.063) 12.732 4.501 ( -1.773 12.728 -7.619) 14.939 4.582 ( -2.743 -2.765 3.265) 5.083 4.743 ( -0.120 -9.361 -3.754) 10.087 4.809 ( -2.847 -6.073 -6.042) 9.027 5.023 ( 12.561 1.972 19.877) 23.595 5.063 ( -2.613 -5.917 -1.307) 6.599 5.156 ( 0.350 -1.645 2.166) 2.743 5.183 ( 2.539 -7.979 -0.360) 8.381 5.230 ( 4.186 -8.038 -1.099) 9.129 5.354 ( -6.831 -3.182 -1.426) 7.670 5.636 ( -5.771 -2.973 8.703) 10.858 5.801 ( 4.945 0.984 -4.031) 6.456 5.865 ( -0.441 -5.620 6.504) 8.607 6.224 ( -12.776 5.334 19.874) 24.221 6.364 ( -9.055 -5.861 17.315) 20.400 6.773 ( -1.087 -3.437 -18.706) 19.050 6.967 ( 3.511 -2.675 -14.394) 15.056 7.596 ( -2.140 0.978 -2.888) 3.725 7.711 ( 2.051 0.046 -1.003) 2.284 7.750 ( -5.055 -0.779 1.332) 5.285 7.837 ( -2.706 -1.746 2.560) 4.114 8.339 ( -1.339 4.933 2.747) 5.803 8.416 ( -2.305 -1.689 4.543) 5.367 8.653 ( -7.324 1.308 2.203) 7.759 8.736 ( -2.082 -0.578 7.337) 7.649 9.414 ( 4.262 5.873 -8.919) 11.498 9.629 ( 12.780 -4.377 -10.159) 16.902 11.410 ( 2.133 0.161 0.037) 2.139 11.427 ( 2.825 -0.080 0.304) 2.842 12.087 ( 0.464 3.380 1.709) 3.816 12.140 ( 1.415 -1.903 0.744) 2.485 14.134 ( 2.196 0.949 0.148) 2.397 14.167 ( 2.209 -2.341 -0.533) 3.263 14.510 ( -1.626 -0.177 -0.026) 1.636 14.523 ( -1.071 -0.238 0.160) 1.108 14.961 ( -1.573 2.143 -0.484) 2.702 15.005 ( -1.761 -2.377 -1.356) 3.254 15.149 ( 0.518 3.167 0.082) 3.210 15.206 ( 0.619 -2.519 -1.190) 2.854 17.464 ( 0.151 0.392 -0.236) 0.482 17.477 ( -0.271 -0.879 -0.828) 1.237 17.775 ( -1.365 2.334 1.789) 3.242 17.823 ( -0.334 -0.466 1.595) 1.695 22.617 ( 1.259 -0.427 -0.173) 1.340 22.619 ( 1.324 -0.326 -0.188) 1.377 22.918 ( -0.837 0.999 -0.269) 1.330 22.939 ( -0.390 0.213 -0.309) 0.541 24.743 ( -0.048 0.222 0.024) 0.228 24.747 ( -0.056 -0.138 -0.052) 0.158 24.872 ( -0.091 0.084 -0.019) 0.125 24.873 ( -0.074 0.019 -0.029) 0.081 26.473 ( 0.192 0.482 -1.617) 1.698 26.483 ( 0.022 -0.166 -1.277) 1.288 26.607 ( -0.872 0.041 2.219) 2.385 26.626 ( -0.338 -1.053 1.219) 1.646 39.730 ( 1.070 -0.740 -0.176) 1.313 39.744 ( 1.490 -1.303 -0.011) 1.979 40.236 ( -0.747 1.524 -1.506) 2.269 40.267 ( 0.618 0.900 -1.153) 1.588 42.970 ( 0.329 0.359 -0.273) 0.558 42.980 ( 0.392 -0.366 -0.255) 0.593 43.281 ( -0.110 0.336 0.088) 0.364 43.290 ( 0.089 -0.324 0.126) 0.359 48.670 ( 0.606 3.087 6.667) 7.372 48.735 ( 0.956 -3.503 6.363) 7.326 49.054 ( 1.600 -0.134 0.661) 1.736 49.109 ( 3.516 -0.527 3.334) 4.874 49.733 ( -11.345 7.811 -13.948) 19.602 50.068 ( 1.127 2.788 -15.704) 15.989 50.620 ( -12.342 -5.473 13.506) 19.097 50.836 ( -3.830 -12.226 6.373) 14.310 ======================= Grid point 97 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 1.945 0.075 -5.767) 6.086 1.670 ( 7.253 -2.834 -0.759) 7.823 1.918 ( -2.751 6.669 2.290) 7.568 2.500 ( -6.551 6.732 0.661) 9.417 2.559 ( -6.627 3.484 2.411) 7.866 2.642 ( -4.383 -1.763 1.989) 5.126 2.732 ( -1.624 -3.688 -0.981) 4.147 2.912 ( -13.151 -0.199 19.403) 23.441 2.946 ( -31.896 2.987 -1.612) 32.076 3.001 ( -38.025 -0.924 -4.644) 38.318 3.901 ( 7.236 3.425 -14.508) 16.570 4.047 ( 3.630 27.288 -2.357) 27.629 4.222 ( -1.938 14.209 -10.703) 17.894 4.452 ( -3.129 6.445 -4.725) 8.582 4.535 ( -0.520 4.316 -2.737) 5.137 4.698 ( -4.072 4.654 0.356) 6.194 4.788 ( 1.414 -4.288 -5.765) 7.323 4.986 ( -4.429 -3.426 1.079) 5.702 5.074 ( -3.468 0.241 7.937) 8.664 5.143 ( -1.366 0.105 5.223) 5.400 5.227 ( -2.237 -13.995 3.393) 14.573 5.277 ( 2.811 -4.596 -0.701) 5.433 5.446 ( 9.545 -2.505 9.190) 13.485 5.537 ( 0.293 -7.957 6.113) 10.038 5.832 ( -3.814 0.288 -3.167) 4.965 5.841 ( -0.241 1.611 2.716) 3.167 5.992 ( -9.441 2.347 13.510) 16.648 6.169 ( -8.007 -12.762 15.961) 21.948 6.811 ( 4.436 -3.291 -21.662) 22.355 6.990 ( -0.213 -1.145 -17.098) 17.137 7.594 ( 1.977 1.813 -0.353) 2.705 7.679 ( -0.914 -0.232 -0.006) 0.943 7.747 ( 0.585 -0.661 -1.936) 2.128 7.782 ( -2.431 -1.315 0.732) 2.859 8.302 ( -3.166 4.508 0.064) 5.509 8.381 ( 1.838 1.570 3.291) 4.083 8.570 ( -0.224 1.472 10.116) 10.225 8.760 ( 2.968 -5.744 12.374) 13.961 9.420 ( -4.887 6.056 -8.560) 11.569 9.759 ( -1.544 -9.166 -8.896) 12.866 11.464 ( 2.759 1.644 1.009) 3.366 11.496 ( 3.631 -0.713 0.554) 3.742 12.099 ( 0.672 4.240 1.854) 4.676 12.178 ( 2.127 -3.527 0.437) 4.142 14.202 ( 4.471 1.327 -0.442) 4.685 14.231 ( 3.969 -1.535 -0.880) 4.346 14.468 ( -2.383 -0.207 -0.057) 2.392 14.492 ( -1.885 -0.147 0.318) 1.917 14.915 ( -2.930 1.743 -0.366) 3.429 14.953 ( -3.333 -2.042 -1.053) 4.049 15.162 ( 0.759 3.405 -0.858) 3.592 15.223 ( 0.951 -2.655 -1.965) 3.437 17.471 ( 0.584 0.023 -0.155) 0.604 17.475 ( 0.200 -0.332 -0.692) 0.793 17.746 ( -1.296 2.535 2.612) 3.864 17.810 ( -0.872 -0.809 2.576) 2.837 22.641 ( 0.930 0.339 0.169) 1.004 22.652 ( 1.641 -0.550 -0.066) 1.732 22.908 ( 0.147 0.817 -0.515) 0.977 22.935 ( 0.249 0.579 -0.208) 0.664 24.742 ( -0.081 0.216 0.035) 0.233 24.745 ( -0.078 -0.041 -0.010) 0.088 24.870 ( -0.161 0.020 -0.017) 0.163 24.871 ( -0.138 -0.035 -0.022) 0.144 26.483 ( 0.853 0.215 -0.844) 1.219 26.485 ( 0.272 0.135 -0.706) 0.768 26.588 ( -0.877 0.345 1.241) 1.559 26.615 ( -0.683 -1.456 0.305) 1.637 39.763 ( 2.123 -0.559 -0.230) 2.208 39.785 ( 2.555 -0.722 0.279) 2.669 40.214 ( -1.460 1.766 -2.806) 3.623 40.274 ( -0.221 0.681 -2.232) 2.344 42.983 ( 0.934 0.264 -0.201) 0.991 42.993 ( 0.827 -0.240 -0.070) 0.864 43.280 ( 0.056 0.421 -0.020) 0.425 43.292 ( 0.090 -0.502 0.035) 0.511 48.687 ( 0.996 3.540 7.906) 8.720 48.762 ( 1.942 -3.957 8.618) 9.679 49.119 ( 4.631 0.162 -0.669) 4.682 49.191 ( 4.312 -0.728 2.960) 5.281 49.456 ( -14.927 3.655 -10.969) 18.881 50.059 ( -2.798 5.607 -8.305) 10.404 50.281 ( -19.860 -4.440 11.826) 23.536 50.716 ( -7.611 -13.486 2.617) 15.705 ======================= Grid point 98 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -29.872 3.888 0.561) 30.129 1.690 ( -21.234 -6.344 5.103) 22.742 1.976 ( 4.839 6.514 8.623) 11.841 2.091 ( -25.854 -0.400 -4.819) 26.302 2.227 ( -12.586 4.530 -1.132) 13.424 2.404 ( -7.303 7.056 -0.309) 10.159 2.465 ( -7.011 1.911 -1.694) 7.461 2.618 ( -2.395 0.871 4.490) 5.162 2.679 ( -7.985 -3.962 21.648) 23.411 2.737 ( -2.093 -7.583 1.563) 8.020 3.969 ( 0.131 8.933 -8.635) 12.425 4.066 ( -0.387 10.175 -6.409) 12.032 4.237 ( 1.329 27.726 -3.827) 28.020 4.447 ( 3.058 1.984 -5.693) 6.760 4.541 ( 0.166 7.708 -2.535) 8.116 4.634 ( -2.061 0.999 2.695) 3.537 4.777 ( -3.281 6.575 -0.946) 7.409 4.897 ( -4.382 6.538 7.874) 11.134 5.019 ( -0.207 -8.077 -6.273) 10.228 5.079 ( -3.670 -1.143 10.284) 10.979 5.224 ( 3.468 -11.026 -2.660) 11.861 5.394 ( 7.022 -3.021 1.041) 7.714 5.528 ( -1.076 -6.353 0.977) 6.518 5.613 ( 4.619 -11.733 0.298) 12.613 5.724 ( -5.428 5.735 -0.906) 7.948 5.815 ( -4.465 2.255 9.838) 11.037 5.848 ( -2.547 -1.311 -2.064) 3.530 6.063 ( -3.370 -18.052 11.392) 21.610 6.912 ( 4.347 2.266 -18.927) 19.551 7.017 ( 3.569 -3.070 -20.079) 20.624 7.640 ( 1.101 1.669 0.983) 2.228 7.674 ( -0.468 -0.707 -2.454) 2.597 7.746 ( -0.142 0.120 0.595) 0.623 7.764 ( 1.059 -1.020 0.577) 1.579 8.256 ( -0.349 6.210 -1.913) 6.507 8.491 ( 7.005 -3.669 7.208) 10.700 8.621 ( 5.231 6.291 8.741) 11.973 8.837 ( 4.675 -10.083 11.492) 15.987 9.235 ( -11.266 1.902 -4.477) 12.272 9.556 ( -17.439 -8.170 -3.966) 19.662 11.510 ( 1.678 2.869 2.773) 4.329 11.561 ( 2.491 -1.945 1.253) 3.400 12.112 ( 0.494 5.293 1.774) 5.604 12.217 ( 1.568 -5.126 -0.164) 5.363 14.305 ( 5.159 0.836 -1.411) 5.413 14.313 ( 3.596 -0.082 -1.142) 3.774 14.424 ( -1.590 -0.187 -0.243) 1.619 14.455 ( -1.534 -0.011 -0.005) 1.534 14.850 ( -3.039 0.894 -0.109) 3.170 14.876 ( -3.905 -1.097 -0.407) 4.076 15.177 ( 0.606 3.729 -1.843) 4.203 15.241 ( 0.717 -2.748 -2.753) 3.955 17.485 ( 0.709 -0.000 -0.407) 0.818 17.487 ( 0.886 -0.214 -0.098) 0.917 17.725 ( -0.758 3.449 3.692) 5.109 17.792 ( -0.771 -1.845 3.293) 3.852 22.649 ( 0.004 1.137 0.718) 1.345 22.674 ( 0.449 -1.205 0.162) 1.296 22.927 ( 1.479 1.227 -0.721) 2.052 22.952 ( 1.196 0.387 -0.740) 1.459 24.740 ( -0.049 0.221 0.064) 0.235 24.744 ( -0.070 0.044 0.040) 0.092 24.866 ( -0.148 -0.024 0.000) 0.150 24.868 ( -0.131 -0.119 -0.015) 0.177 26.496 ( 0.744 0.393 -0.161) 0.857 26.504 ( 1.031 -0.120 -0.121) 1.045 26.574 ( -0.505 0.727 0.042) 0.887 26.601 ( -0.600 -1.767 -0.701) 1.993 39.812 ( 2.535 -0.138 0.048) 2.540 39.838 ( 2.258 -0.266 0.732) 2.388 40.183 ( -1.174 2.158 -4.524) 5.148 40.252 ( -1.929 0.107 -4.483) 4.882 43.005 ( 1.086 0.236 -0.184) 1.126 43.012 ( 0.978 -0.144 -0.114) 0.995 43.283 ( 0.176 0.447 -0.071) 0.485 43.294 ( 0.103 -0.613 -0.117) 0.633 48.708 ( 1.118 3.694 8.727) 9.542 48.815 ( 2.546 -4.162 12.378) 13.305 49.197 ( -6.351 0.713 -4.652) 7.904 49.223 ( 3.755 0.348 -0.357) 3.788 49.273 ( 3.082 -0.852 2.341) 3.963 49.744 ( -24.625 -7.389 19.326) 32.164 50.080 ( -1.733 16.117 -9.582) 18.830 50.559 ( -6.939 -17.759 -2.997) 19.301 ======================= Grid point 126 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -7.701 0.000 20.241) 21.657 1.118 ( 5.755 0.000 -21.748) 22.497 1.383 ( -1.535 0.000 23.883) 23.933 1.754 ( 0.471 0.000 -10.532) 10.543 2.219 ( -2.060 0.000 1.738) 2.695 2.304 ( 1.847 0.000 -4.638) 4.992 2.754 ( -4.939 0.000 8.336) 9.689 2.766 ( -0.266 0.000 30.853) 30.854 2.786 ( 4.606 0.000 7.416) 8.730 2.984 ( 0.700 0.000 -1.986) 2.105 3.107 ( 6.985 0.000 8.278) 10.831 3.123 ( -10.046 0.000 7.506) 12.541 3.192 ( 0.044 0.000 -18.610) 18.610 3.373 ( 1.786 0.000 -4.956) 5.268 4.576 ( 1.531 0.000 4.066) 4.345 4.584 ( 0.257 0.000 4.279) 4.287 4.646 ( -0.043 0.000 2.708) 2.708 4.856 ( -2.545 0.000 -7.263) 7.696 5.118 ( -2.697 0.000 14.623) 14.870 5.138 ( 0.143 0.000 2.528) 2.532 5.193 ( -0.179 0.000 -1.817) 1.826 5.445 ( 2.372 0.000 -1.546) 2.831 5.657 ( 0.598 0.000 -18.146) 18.156 5.747 ( 0.801 0.000 -10.190) 10.221 5.982 ( 0.030 0.000 3.724) 3.724 6.019 ( -0.113 0.000 -0.174) 0.207 6.281 ( -0.091 0.000 12.538) 12.538 6.603 ( 0.077 0.000 0.059) 0.097 6.782 ( -0.290 0.000 -10.991) 10.995 7.021 ( 0.273 0.000 -15.907) 15.910 7.443 ( 0.413 0.000 -3.553) 3.577 7.455 ( -1.527 0.000 -4.870) 5.103 7.705 ( 1.055 0.000 8.380) 8.446 7.894 ( -0.320 0.000 -8.547) 8.553 8.225 ( 0.187 0.000 4.154) 4.159 8.262 ( -0.198 0.000 3.463) 3.468 8.979 ( 1.365 0.000 4.067) 4.290 9.080 ( -0.952 0.000 -2.072) 2.280 9.744 ( 0.489 0.000 16.778) 16.785 10.023 ( -0.367 0.000 -9.894) 9.901 11.587 ( 0.226 0.000 2.935) 2.944 11.662 ( -0.335 0.000 -3.939) 3.953 12.141 ( 0.072 0.000 6.937) 6.937 12.293 ( -0.067 0.000 -6.838) 6.838 14.201 ( -0.022 0.000 2.824) 2.824 14.264 ( 0.022 0.000 -2.995) 2.995 14.421 ( 0.304 0.000 0.278) 0.412 14.427 ( -0.278 0.000 -0.121) 0.303 14.822 ( 1.069 0.000 -0.123) 1.076 14.827 ( -1.098 0.000 -0.135) 1.106 15.131 ( -0.092 0.000 5.005) 5.006 15.242 ( 0.117 0.000 -4.878) 4.879 17.510 ( 1.348 0.000 0.063) 1.349 17.512 ( -1.335 0.000 -0.083) 1.338 17.596 ( -0.187 0.000 5.170) 5.174 17.704 ( 0.191 0.000 -4.822) 4.825 22.704 ( 0.064 0.000 2.844) 2.845 22.732 ( 0.859 0.000 -0.170) 0.875 22.733 ( -0.902 0.000 -0.196) 0.923 22.766 ( -0.063 0.000 -2.813) 2.814 24.726 ( -0.011 0.000 0.207) 0.207 24.730 ( 0.011 0.000 -0.178) 0.179 24.872 ( 0.000 0.000 0.154) 0.154 24.876 ( -0.000 0.000 -0.146) 0.146 26.507 ( 1.519 0.000 0.753) 1.695 26.519 ( -1.518 0.000 -0.323) 1.552 26.616 ( 1.275 0.000 1.679) 2.108 26.653 ( -1.247 0.000 -1.696) 2.105 39.870 ( -0.029 0.000 3.495) 3.495 39.894 ( 0.083 0.000 0.269) 0.281 39.899 ( -0.081 0.000 -0.213) 0.228 39.952 ( 0.029 0.000 -4.154) 4.154 43.016 ( 0.535 0.000 0.393) 0.664 43.024 ( -0.526 0.000 -0.367) 0.642 43.290 ( 0.546 0.000 0.606) 0.816 43.305 ( -0.551 0.000 -0.748) 0.930 48.749 ( -0.025 0.000 10.196) 10.196 48.961 ( 0.025 0.000 -9.443) 9.443 49.202 ( -2.420 0.000 -0.132) 2.423 49.240 ( 2.513 0.000 -0.011) 2.513 49.345 ( 0.627 0.000 1.022) 1.199 49.392 ( -0.697 0.000 -0.361) 0.785 51.315 ( 0.903 0.000 0.821) 1.221 51.334 ( -0.930 0.000 -0.901) 1.296 ======================= Grid point 127 (54/84) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 45.168 0.000 14.253) 47.364 1.389 ( 2.258 0.000 25.185) 25.286 1.778 ( 1.630 0.000 -9.532) 9.670 1.823 ( 43.090 0.000 -16.276) 46.061 2.140 ( -4.950 0.000 5.410) 7.333 2.339 ( 0.626 0.000 -6.810) 6.839 2.638 ( -5.006 0.000 9.249) 10.517 2.661 ( -8.232 0.000 35.752) 36.687 2.850 ( 0.549 0.000 -2.559) 2.617 2.977 ( 1.385 0.000 7.528) 7.655 3.020 ( 2.923 0.000 2.428) 3.799 3.202 ( 0.839 0.000 -16.749) 16.770 3.204 ( 1.679 0.000 -4.114) 4.443 3.368 ( 0.409 0.000 -12.479) 12.486 4.609 ( 2.081 0.000 4.656) 5.100 4.678 ( 3.140 0.000 2.714) 4.150 4.679 ( 8.440 0.000 15.766) 17.883 4.904 ( 6.602 0.000 -0.914) 6.665 5.145 ( 0.517 0.000 3.051) 3.095 5.178 ( 8.009 0.000 9.591) 12.495 5.207 ( 1.594 0.000 -2.324) 2.818 5.561 ( 7.129 0.000 -11.146) 13.231 5.642 ( 1.942 0.000 -1.100) 2.232 5.870 ( 8.923 0.000 -15.841) 18.181 5.933 ( -4.776 0.000 4.000) 6.229 5.958 ( -5.071 0.000 0.203) 5.075 6.316 ( 2.895 0.000 11.681) 12.034 6.612 ( 0.718 0.000 0.791) 1.068 6.774 ( -0.442 0.000 -11.121) 11.129 7.029 ( 0.522 0.000 -16.412) 16.421 7.354 ( -6.428 0.000 -1.911) 6.706 7.422 ( -4.890 0.000 -6.418) 8.069 7.701 ( -0.582 0.000 5.175) 5.208 7.795 ( -5.578 0.000 -5.630) 7.926 8.229 ( 0.195 0.000 3.920) 3.925 8.266 ( 0.528 0.000 3.782) 3.818 9.041 ( 3.471 0.000 8.561) 9.238 9.165 ( 6.205 0.000 -3.487) 7.118 9.675 ( -7.319 0.000 18.046) 19.473 9.998 ( -4.032 0.000 -16.366) 16.855 11.535 ( -4.643 0.000 1.224) 4.802 11.548 ( -8.335 0.000 -0.540) 8.352 12.120 ( -1.980 0.000 6.554) 6.847 12.261 ( -2.742 0.000 -6.345) 6.913 14.199 ( -0.171 0.000 2.776) 2.782 14.262 ( -0.248 0.000 -2.927) 2.937 14.447 ( 2.084 0.000 0.206) 2.095 14.461 ( 2.865 0.000 -0.063) 2.866 14.836 ( 1.767 0.000 1.647) 2.415 14.879 ( 3.977 0.000 -3.394) 5.228 15.130 ( -0.076 0.000 4.723) 4.724 15.239 ( -0.450 0.000 -4.640) 4.662 17.482 ( -1.078 0.000 0.095) 1.083 17.543 ( 1.584 0.000 -0.187) 1.595 17.592 ( -0.216 0.000 5.118) 5.123 17.707 ( 0.052 0.000 -4.806) 4.807 22.704 ( -0.085 0.000 2.837) 2.839 22.712 ( -0.553 0.000 2.060) 2.133 22.757 ( 1.282 0.000 -2.258) 2.596 22.763 ( -0.211 0.000 -2.805) 2.812 24.728 ( 0.180 0.000 0.223) 0.286 24.733 ( 0.230 0.000 -0.197) 0.303 24.871 ( -0.094 0.000 0.149) 0.176 24.875 ( -0.102 0.000 -0.142) 0.175 26.472 ( -2.426 0.000 -0.172) 2.432 26.518 ( -0.588 0.000 -0.445) 0.737 26.640 ( 0.615 0.000 -0.119) 0.627 26.655 ( 1.640 0.000 1.087) 1.967 39.868 ( -0.088 0.000 3.488) 3.489 39.910 ( 2.416 0.000 2.331) 3.357 39.952 ( -0.080 0.000 -4.116) 4.117 39.973 ( 5.057 0.000 -3.120) 5.942 43.003 ( -1.344 0.000 -0.503) 1.435 43.014 ( -0.621 0.000 0.455) 0.770 43.290 ( -0.744 0.000 -0.754) 1.060 43.297 ( 0.147 0.000 0.649) 0.665 48.747 ( -0.143 0.000 10.156) 10.157 48.960 ( -0.145 0.000 -9.436) 9.437 49.167 ( -1.171 0.000 2.228) 2.517 49.244 ( -4.511 0.000 1.181) 4.663 49.333 ( -0.708 0.000 1.274) 1.458 49.403 ( 4.092 0.000 -2.547) 4.820 51.277 ( 0.048 0.000 7.354) 7.354 51.411 ( 3.936 0.000 -7.173) 8.182 ======================= Grid point 128 (55/84) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 6.150 0.000 25.691) 26.417 1.756 ( -6.923 0.000 28.383) 29.215 1.803 ( 0.544 0.000 -6.783) 6.804 2.032 ( -5.583 0.000 9.739) 11.225 2.294 ( 4.416 0.000 -16.663) 17.238 2.335 ( -0.053 0.000 -4.481) 4.482 2.569 ( -2.217 0.000 2.571) 3.394 2.728 ( 10.953 0.000 18.525) 21.520 2.811 ( -3.982 0.000 -14.473) 15.011 3.084 ( 2.815 0.000 5.328) 6.026 3.112 ( -0.639 0.000 -11.065) 11.083 3.227 ( 1.714 0.000 -11.504) 11.631 3.383 ( 28.309 0.000 3.760) 28.558 3.585 ( 22.267 0.000 -15.945) 27.387 4.663 ( 3.034 0.000 6.395) 7.078 4.763 ( 4.827 0.000 2.335) 5.362 4.842 ( 6.201 0.000 21.868) 22.730 5.092 ( 9.131 0.000 -0.425) 9.141 5.158 ( 0.781 0.000 4.865) 4.928 5.259 ( 3.527 0.000 -3.701) 5.113 5.393 ( 11.764 0.000 9.457) 15.094 5.664 ( 3.850 0.000 -10.761) 11.429 5.801 ( -7.524 0.000 4.268) 8.651 5.812 ( 12.687 0.000 6.327) 14.177 5.842 ( -6.352 0.000 -0.561) 6.377 6.070 ( 10.943 0.000 -8.928) 14.123 6.375 ( 2.605 0.000 9.959) 10.294 6.626 ( 0.512 0.000 4.557) 4.585 6.766 ( -0.298 0.000 -12.635) 12.639 7.040 ( 0.492 0.000 -17.321) 17.328 7.244 ( -2.130 0.000 -6.884) 7.206 7.277 ( -6.714 0.000 -6.867) 9.604 7.734 ( 3.418 0.000 2.103) 4.013 7.753 ( 2.282 0.000 -4.247) 4.822 8.234 ( 0.401 0.000 3.888) 3.908 8.279 ( 0.625 0.000 3.979) 4.028 9.068 ( -1.707 0.000 14.351) 14.452 9.244 ( 1.177 0.000 -2.912) 3.140 9.444 ( -15.377 0.000 17.605) 23.375 9.785 ( -17.445 0.000 -21.451) 27.649 11.420 ( -3.176 0.000 1.461) 3.495 11.450 ( -3.118 0.000 -0.874) 3.238 12.071 ( -2.725 0.000 5.624) 6.249 12.190 ( -4.064 0.000 -5.015) 6.455 14.195 ( -0.216 0.000 2.672) 2.681 14.256 ( -0.363 0.000 -2.775) 2.798 14.497 ( 2.483 0.000 0.594) 2.553 14.516 ( 2.435 0.000 -0.148) 2.439 14.881 ( 2.258 0.000 2.765) 3.570 14.956 ( 3.241 0.000 -5.235) 6.157 15.127 ( -0.209 0.000 4.061) 4.067 15.224 ( -1.021 0.000 -3.999) 4.128 17.481 ( 1.080 0.000 0.000) 1.080 17.568 ( 0.821 0.000 -0.443) 0.933 17.588 ( -0.115 0.000 5.063) 5.065 17.706 ( -0.115 0.000 -4.828) 4.830 22.701 ( -0.179 0.000 2.801) 2.807 22.716 ( 0.855 0.000 2.827) 2.953 22.758 ( -0.226 0.000 -2.763) 2.772 22.784 ( 1.416 0.000 -3.460) 3.738 24.732 ( 0.271 0.000 0.263) 0.377 24.738 ( 0.323 0.000 -0.246) 0.406 24.869 ( -0.142 0.000 0.137) 0.197 24.872 ( -0.154 0.000 -0.130) 0.202 26.434 ( -1.153 0.000 0.227) 1.175 26.498 ( -1.058 0.000 -2.156) 2.402 26.661 ( 1.116 0.000 0.989) 1.491 26.682 ( 0.974 0.000 1.244) 1.580 39.866 ( -0.094 0.000 3.482) 3.483 39.949 ( -0.137 0.000 -4.038) 4.041 39.967 ( 2.685 0.000 3.401) 4.333 40.060 ( 3.046 0.000 -3.993) 5.022 42.978 ( -0.924 0.000 -0.782) 1.210 42.996 ( -1.086 0.000 0.513) 1.201 43.278 ( -0.368 0.000 -0.683) 0.776 43.296 ( -0.257 0.000 0.572) 0.627 48.744 ( -0.175 0.000 10.068) 10.069 48.956 ( -0.227 0.000 -9.426) 9.429 49.117 ( -4.017 0.000 2.358) 4.657 49.163 ( -2.313 0.000 1.802) 2.932 49.313 ( -0.274 0.000 7.184) 7.189 49.531 ( 6.963 0.000 -9.145) 11.494 51.318 ( 3.282 0.000 9.346) 9.905 51.483 ( 3.195 0.000 -8.592) 9.167 ======================= Grid point 129 (56/84) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -6.753 0.000 24.712) 25.618 1.628 ( 8.579 0.000 24.185) 25.662 1.799 ( -0.817 0.000 -2.396) 2.532 1.917 ( -5.596 0.000 13.936) 15.017 2.222 ( -7.272 0.000 -25.854) 26.857 2.365 ( 3.057 0.000 -1.723) 3.509 2.529 ( -2.075 0.000 -2.380) 3.158 2.706 ( -5.904 0.000 -24.914) 25.604 2.834 ( 0.527 0.000 14.902) 14.912 3.122 ( 0.993 0.000 6.174) 6.253 3.126 ( 1.855 0.000 -11.020) 11.175 3.267 ( 1.983 0.000 -8.553) 8.780 3.942 ( 24.414 0.000 3.824) 24.711 4.112 ( 22.665 0.000 -7.358) 23.830 4.721 ( 2.438 0.000 8.084) 8.443 4.854 ( 3.571 0.000 1.481) 3.866 4.929 ( 2.716 0.000 16.078) 16.306 5.177 ( 0.984 0.000 8.678) 8.734 5.210 ( 3.962 0.000 -5.987) 7.179 5.347 ( 5.014 0.000 -5.534) 7.468 5.467 ( -5.407 0.000 6.122) 8.168 5.639 ( -7.508 0.000 -7.006) 10.269 5.656 ( -6.354 0.000 3.817) 7.413 5.709 ( -6.226 0.000 -2.045) 6.553 6.165 ( 19.760 0.000 14.811) 24.694 6.305 ( 9.955 0.000 3.903) 10.692 6.415 ( 1.257 0.000 7.834) 7.935 6.632 ( 0.172 0.000 9.879) 9.881 6.763 ( 0.050 0.000 -14.925) 14.925 7.047 ( 0.210 0.000 -18.090) 18.091 7.213 ( 1.409 0.000 -4.541) 4.755 7.339 ( 8.315 0.000 -18.913) 20.660 7.819 ( 8.031 0.000 6.541) 10.358 7.940 ( 15.189 0.000 -7.951) 17.145 8.244 ( 0.456 0.000 3.959) 3.985 8.288 ( 0.266 0.000 4.060) 4.069 8.919 ( -15.256 0.000 14.571) 21.096 9.090 ( -16.573 0.000 5.570) 17.484 9.241 ( -1.898 0.000 0.729) 2.033 9.362 ( -19.904 0.000 -13.427) 24.010 11.402 ( 0.500 0.000 0.474) 0.689 11.417 ( -0.560 0.000 -0.703) 0.899 12.020 ( -2.061 0.000 4.450) 4.904 12.111 ( -3.368 0.000 -3.481) 4.844 14.192 ( -0.135 0.000 2.574) 2.578 14.249 ( -0.263 0.000 -2.632) 2.645 14.539 ( 1.548 0.000 0.678) 1.690 14.555 ( 1.308 0.000 -0.155) 1.317 14.918 ( 1.276 0.000 3.248) 3.489 15.006 ( 1.662 0.000 -5.282) 5.538 15.122 ( -0.302 0.000 3.451) 3.464 15.203 ( -0.900 0.000 -3.312) 3.432 17.518 ( 2.202 0.000 -0.415) 2.241 17.574 ( -0.272 0.000 -0.346) 0.440 17.588 ( 0.052 0.000 5.038) 5.038 17.703 ( -0.214 0.000 -4.873) 4.878 22.698 ( -0.168 0.000 2.758) 2.764 22.738 ( 1.028 0.000 2.764) 2.949 22.755 ( -0.109 0.000 -2.715) 2.718 22.810 ( 1.038 0.000 -3.975) 4.109 24.737 ( 0.204 0.000 0.304) 0.367 24.744 ( 0.228 0.000 -0.296) 0.374 24.866 ( -0.108 0.000 0.122) 0.163 24.869 ( -0.118 0.000 -0.113) 0.163 26.423 ( -0.069 0.000 0.547) 0.552 26.480 ( -0.748 0.000 -2.623) 2.727 26.680 ( 0.752 0.000 1.360) 1.554 26.696 ( 0.388 0.000 1.119) 1.184 39.865 ( -0.046 0.000 3.481) 3.481 39.947 ( -0.114 0.000 -3.969) 3.970 40.009 ( 1.401 0.000 3.560) 3.826 40.096 ( 0.741 0.000 -3.487) 3.565 42.968 ( -0.113 0.000 -0.947) 0.954 42.974 ( -0.956 0.000 0.518) 1.087 43.276 ( 0.120 0.000 -0.555) 0.568 43.288 ( -0.446 0.000 0.412) 0.607 48.741 ( -0.106 0.000 9.983) 9.984 48.952 ( -0.175 0.000 -9.417) 9.419 49.057 ( -1.598 0.000 2.679) 3.119 49.115 ( -2.327 0.000 -1.223) 2.629 49.329 ( 1.346 0.000 13.082) 13.151 49.648 ( 4.108 0.000 -14.071) 14.658 51.383 ( 2.610 0.000 9.032) 9.402 51.539 ( 2.280 0.000 -7.334) 7.681 ======================= Grid point 130 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 3.573 0.000 18.149) 18.498 1.754 ( -3.204 0.000 12.942) 13.333 1.787 ( 2.708 0.000 2.265) 3.530 1.860 ( 3.845 0.000 23.645) 23.955 2.103 ( -2.475 0.000 -28.845) 28.951 2.424 ( -0.245 0.000 3.365) 3.374 2.484 ( -0.362 0.000 -6.148) 6.159 2.611 ( -2.219 0.000 -31.780) 31.857 2.825 ( -0.619 0.000 15.735) 15.747 3.129 ( -0.322 0.000 6.466) 6.474 3.155 ( 0.768 0.000 -11.572) 11.597 3.295 ( 0.607 0.000 -8.281) 8.303 4.272 ( 4.524 0.000 0.956) 4.624 4.325 ( -3.805 0.000 0.896) 3.909 4.750 ( 0.228 0.000 9.037) 9.040 4.886 ( -0.608 0.000 0.564) 0.829 4.958 ( 0.067 0.000 14.346) 14.346 5.189 ( -0.101 0.000 11.570) 11.570 5.268 ( 1.559 0.000 -2.100) 2.615 5.419 ( 2.160 0.000 -7.442) 7.749 5.431 ( 1.060 0.000 -8.456) 8.523 5.449 ( -3.300 0.000 -1.722) 3.722 5.558 ( -1.581 0.000 4.531) 4.799 5.644 ( 1.042 0.000 -2.444) 2.656 6.381 ( -3.531 0.000 10.531) 11.107 6.411 ( 2.588 0.000 12.130) 12.403 6.425 ( -0.291 0.000 6.354) 6.360 6.635 ( 0.124 0.000 13.162) 13.162 6.767 ( 0.304 0.000 -16.296) 16.298 7.047 ( -0.206 0.000 -18.389) 18.390 7.261 ( 0.168 0.000 -4.753) 4.756 7.428 ( 0.024 0.000 -15.441) 15.441 7.985 ( -0.098 0.000 8.926) 8.927 8.232 ( 0.285 0.000 -10.783) 10.787 8.249 ( -0.017 0.000 3.951) 3.951 8.290 ( 0.017 0.000 4.130) 4.130 8.651 ( -2.678 0.000 5.703) 6.300 8.791 ( 3.066 0.000 -7.771) 8.354 9.158 ( -1.287 0.000 5.224) 5.380 9.228 ( 0.555 0.000 1.005) 1.148 11.411 ( -0.289 0.000 -0.131) 0.317 11.413 ( 0.251 0.000 -0.151) 0.293 11.998 ( 0.058 0.000 3.880) 3.880 12.073 ( -0.068 0.000 -2.791) 2.791 14.190 ( 0.020 0.000 2.537) 2.538 14.246 ( -0.020 0.000 -2.578) 2.578 14.556 ( 0.143 0.000 0.707) 0.721 14.567 ( -0.137 0.000 -0.196) 0.239 14.929 ( -0.139 0.000 3.316) 3.319 15.024 ( 0.203 0.000 -5.299) 5.303 15.118 ( -0.018 0.000 3.350) 3.350 15.193 ( -0.025 0.000 -3.015) 3.015 17.555 ( -1.478 0.000 -0.242) 1.498 17.558 ( 1.470 0.000 -0.605) 1.590 17.590 ( 0.185 0.000 5.057) 5.061 17.698 ( -0.189 0.000 -4.916) 4.920 22.695 ( -0.064 0.000 2.733) 2.734 22.750 ( 0.027 0.000 2.677) 2.677 22.754 ( 0.064 0.000 -2.688) 2.688 22.822 ( -0.013 0.000 -4.108) 4.108 24.740 ( 0.011 0.000 0.323) 0.324 24.747 ( -0.011 0.000 -0.319) 0.319 24.865 ( -0.000 0.000 0.114) 0.114 24.868 ( 0.000 0.000 -0.105) 0.105 26.427 ( 0.310 0.000 0.760) 0.820 26.466 ( -0.620 0.000 -2.338) 2.418 26.691 ( 0.403 0.000 1.103) 1.174 26.698 ( -0.114 0.000 0.968) 0.974 39.865 ( 0.028 0.000 3.485) 3.485 39.945 ( -0.028 0.000 -3.945) 3.946 40.026 ( 0.293 0.000 3.542) 3.554 40.099 ( -0.288 0.000 -3.272) 3.285 42.958 ( -0.540 0.000 0.460) 0.709 42.973 ( 0.542 0.000 -0.934) 1.080 43.275 ( -0.396 0.000 0.188) 0.438 43.286 ( 0.405 0.000 -0.353) 0.537 48.740 ( 0.021 0.000 9.952) 9.952 48.950 ( -0.021 0.000 -9.416) 9.416 49.049 ( 0.595 0.000 2.273) 2.349 49.082 ( -0.575 0.000 -1.316) 1.436 49.351 ( 0.604 0.000 14.632) 14.644 49.685 ( -0.562 0.000 -16.009) 16.019 51.407 ( -0.471 0.000 8.696) 8.709 51.568 ( 0.406 0.000 -6.473) 6.485 ======================= Grid point 132 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 6.743 0.000 24.457) 25.369 1.652 ( -5.548 0.000 17.329) 18.196 1.806 ( 0.381 0.000 -2.378) 2.408 1.999 ( 6.676 0.000 19.762) 20.859 2.165 ( 7.528 0.000 -27.644) 28.651 2.345 ( -4.030 0.000 -5.916) 7.158 2.525 ( 2.093 0.000 -1.923) 2.842 2.637 ( 4.192 0.000 -22.264) 22.655 2.816 ( -0.532 0.000 14.567) 14.577 3.110 ( -1.514 0.000 5.717) 5.914 3.150 ( -1.342 0.000 -11.675) 11.752 3.288 ( -1.282 0.000 -8.742) 8.836 3.979 ( -25.715 0.000 2.974) 25.887 4.103 ( -20.464 0.000 -9.465) 22.547 4.727 ( -2.385 0.000 9.001) 9.311 4.835 ( -3.942 0.000 1.254) 4.137 4.930 ( -2.928 0.000 16.828) 17.081 5.173 ( -1.107 0.000 8.324) 8.397 5.210 ( -4.801 0.000 -5.803) 7.532 5.359 ( -5.189 0.000 -5.574) 7.616 5.522 ( 9.346 0.000 6.116) 11.169 5.613 ( 7.654 0.000 -9.165) 11.940 5.637 ( 6.891 0.000 3.401) 7.685 5.731 ( 6.345 0.000 -1.959) 6.641 6.127 ( -20.209 0.000 16.604) 26.155 6.293 ( -13.427 0.000 5.506) 14.512 6.405 ( -1.518 0.000 6.809) 6.977 6.636 ( -0.098 0.000 12.099) 12.099 6.774 ( 0.355 0.000 -16.037) 16.041 7.039 ( -0.538 0.000 -18.055) 18.063 7.202 ( -3.175 0.000 -6.958) 7.648 7.353 ( -6.143 0.000 -16.522) 17.627 7.792 ( -9.516 0.000 5.344) 10.914 7.994 ( -13.103 0.000 -8.915) 15.848 8.243 ( -0.568 0.000 3.979) 4.019 8.289 ( -0.149 0.000 4.035) 4.037 8.848 ( 15.089 0.000 15.494) 21.627 9.110 ( 12.006 0.000 9.637) 15.396 9.246 ( 2.653 0.000 -1.481) 3.038 9.379 ( 23.093 0.000 -13.859) 26.933 11.402 ( -0.276 0.000 0.511) 0.581 11.415 ( 0.322 0.000 -0.647) 0.722 12.021 ( 2.095 0.000 4.472) 4.938 12.109 ( 3.326 0.000 -3.475) 4.810 14.192 ( 0.164 0.000 2.581) 2.587 14.248 ( 0.235 0.000 -2.640) 2.650 14.543 ( -1.407 0.000 0.661) 1.555 14.550 ( -1.446 0.000 -0.150) 1.454 14.913 ( -1.468 0.000 3.171) 3.494 15.012 ( -1.429 0.000 -5.457) 5.640 15.122 ( 0.380 0.000 3.645) 3.665 15.201 ( 0.797 0.000 -3.312) 3.407 17.519 ( -1.856 0.000 -0.231) 1.871 17.572 ( -0.080 0.000 -0.501) 0.507 17.594 ( 0.210 0.000 5.110) 5.114 17.696 ( -0.053 0.000 -4.934) 4.934 22.695 ( 0.077 0.000 2.738) 2.739 22.739 ( -0.949 0.000 2.756) 2.915 22.757 ( 0.199 0.000 -2.694) 2.701 22.810 ( -1.084 0.000 -4.023) 4.166 24.738 ( -0.189 0.000 0.308) 0.362 24.744 ( -0.243 0.000 -0.300) 0.386 24.866 ( 0.107 0.000 0.122) 0.162 24.869 ( 0.118 0.000 -0.113) 0.164 26.437 ( 0.772 0.000 0.895) 1.182 26.456 ( -0.332 0.000 -1.918) 1.946 26.690 ( -0.799 0.000 0.872) 1.182 26.696 ( -0.001 0.000 0.627) 0.627 39.866 ( 0.085 0.000 3.491) 3.492 39.946 ( 0.075 0.000 -3.979) 3.980 40.019 ( -1.019 0.000 3.650) 3.790 40.086 ( -1.117 0.000 -3.593) 3.762 42.954 ( 0.204 0.000 0.354) 0.409 42.988 ( 0.872 0.000 -0.798) 1.182 43.268 ( -0.222 0.000 0.243) 0.329 43.297 ( 0.557 0.000 -0.409) 0.691 48.741 ( 0.135 0.000 9.991) 9.992 48.951 ( 0.145 0.000 -9.425) 9.427 49.072 ( 1.754 0.000 2.491) 3.047 49.102 ( 2.442 0.000 -1.307) 2.770 49.349 ( -0.733 0.000 13.389) 13.409 49.628 ( -4.890 0.000 -14.312) 15.124 51.366 ( -3.277 0.000 8.999) 9.577 51.554 ( -1.718 0.000 -7.088) 7.293 ======================= Grid point 133 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -5.349 0.000 20.486) 21.173 1.796 ( 4.730 0.000 28.349) 28.740 1.798 ( -1.358 0.000 -7.482) 7.604 2.105 ( 4.161 0.000 11.785) 12.498 2.259 ( -5.104 0.000 -17.791) 18.508 2.307 ( -0.037 0.000 -8.678) 8.678 2.577 ( 3.476 0.000 5.354) 6.384 2.737 ( 4.994 0.000 -13.436) 14.334 2.762 ( -6.402 0.000 17.792) 18.909 3.066 ( -2.865 0.000 4.424) 5.271 3.104 ( -3.399 0.000 -12.132) 12.599 3.248 ( -2.356 0.000 -10.349) 10.614 3.395 ( -26.226 0.000 1.435) 26.265 3.609 ( -22.851 0.000 -16.797) 28.361 4.664 ( -3.511 0.000 7.638) 8.407 4.749 ( -4.221 0.000 1.890) 4.625 4.821 ( -8.370 0.000 21.608) 23.172 5.111 ( -5.938 0.000 -0.060) 5.938 5.153 ( -0.857 0.000 4.763) 4.839 5.268 ( -3.633 0.000 -3.671) 5.165 5.505 ( -11.406 0.000 6.528) 13.142 5.670 ( -1.878 0.000 -10.208) 10.380 5.767 ( -13.809 0.000 6.798) 15.391 5.788 ( 7.537 0.000 3.832) 8.456 5.865 ( 6.330 0.000 -0.809) 6.381 5.972 ( -12.775 0.000 -5.393) 13.867 6.366 ( -2.326 0.000 8.431) 8.746 6.628 ( -0.702 0.000 7.662) 7.694 6.781 ( 0.293 0.000 -14.240) 14.243 7.028 ( -0.548 0.000 -17.163) 17.172 7.237 ( 7.147 0.000 -5.628) 9.097 7.303 ( 2.263 0.000 -8.764) 9.051 7.691 ( -1.714 0.000 1.082) 2.027 7.814 ( -4.985 0.000 -4.754) 6.889 8.230 ( -0.539 0.000 4.095) 4.130 8.283 ( -0.481 0.000 3.750) 3.780 9.020 ( 2.497 0.000 15.524) 15.723 9.261 ( -1.308 0.000 -1.331) 1.866 9.401 ( 15.533 0.000 16.526) 22.680 9.827 ( 16.914 0.000 -20.511) 26.585 11.426 ( 3.473 0.000 1.500) 3.783 11.445 ( 2.980 0.000 -0.944) 3.126 12.072 ( 2.629 0.000 5.637) 6.220 12.189 ( 4.169 0.000 -5.004) 6.513 14.196 ( 0.216 0.000 2.683) 2.691 14.254 ( 0.362 0.000 -2.785) 2.808 14.502 ( -2.495 0.000 0.443) 2.534 14.511 ( -2.443 0.000 0.005) 2.443 14.873 ( -2.268 0.000 2.652) 3.490 14.965 ( -3.259 0.000 -5.330) 6.248 15.130 ( 0.309 0.000 4.224) 4.235 15.220 ( 0.933 0.000 -4.004) 4.112 17.491 ( -0.712 0.000 -0.521) 0.882 17.558 ( -1.186 0.000 0.109) 1.191 17.598 ( 0.114 0.000 5.165) 5.166 17.696 ( 0.117 0.000 -4.914) 4.916 22.698 ( 0.178 0.000 2.772) 2.778 22.719 ( -0.834 0.000 2.800) 2.922 22.762 ( 0.227 0.000 -2.732) 2.741 22.783 ( -1.412 0.000 -3.542) 3.813 24.733 ( -0.271 0.000 0.268) 0.381 24.738 ( -0.323 0.000 -0.251) 0.409 24.869 ( 0.142 0.000 0.137) 0.197 24.872 ( 0.154 0.000 -0.129) 0.201 26.456 ( 0.395 0.000 -1.275) 1.335 26.463 ( 1.884 0.000 0.671) 2.000 26.664 ( -1.686 0.000 0.920) 1.921 26.691 ( -0.480 0.000 0.107) 0.492 39.868 ( 0.093 0.000 3.495) 3.497 39.948 ( 0.138 0.000 -4.053) 4.056 39.981 ( -2.800 0.000 3.484) 4.470 40.047 ( -2.934 0.000 -4.094) 5.037 42.968 ( 1.096 0.000 0.258) 1.126 43.007 ( 0.909 0.000 -0.547) 1.061 43.268 ( 0.244 0.000 0.299) 0.386 43.306 ( 0.376 0.000 -0.436) 0.575 48.745 ( 0.172 0.000 10.079) 10.081 48.955 ( 0.230 0.000 -9.438) 9.440 49.127 ( 3.660 0.000 2.242) 4.293 49.166 ( 3.355 0.000 0.050) 3.356 49.332 ( -0.436 0.000 8.920) 8.931 49.502 ( -6.977 0.000 -9.308) 11.633 51.294 ( -3.178 0.000 9.321) 9.848 51.503 ( -3.258 0.000 -8.269) 8.888 ======================= Grid point 134 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -4.159 0.000 22.383) 22.766 1.461 ( -41.729 0.000 16.780) 44.977 1.706 ( -43.955 0.000 -17.012) 47.132 1.764 ( -1.424 0.000 -10.373) 10.471 2.187 ( 3.856 0.000 6.097) 7.214 2.305 ( -0.696 0.000 -8.410) 8.439 2.669 ( 5.476 0.000 11.027) 12.311 2.701 ( 4.358 0.000 31.374) 31.676 2.810 ( 1.199 0.000 -4.061) 4.234 2.988 ( 0.209 0.000 5.642) 5.645 3.002 ( -2.779 0.000 1.702) 3.259 3.206 ( -1.533 0.000 -14.623) 14.703 3.256 ( 0.255 0.000 -0.044) 0.259 3.333 ( -3.447 0.000 -15.926) 16.295 4.603 ( -2.151 0.000 5.641) 6.037 4.633 ( -7.622 0.000 13.448) 15.458 4.676 ( -2.725 0.000 2.272) 3.548 4.973 ( -7.137 0.000 0.749) 7.176 5.140 ( -0.371 0.000 3.016) 3.039 5.213 ( -1.827 0.000 -2.319) 2.952 5.271 ( -11.004 0.000 9.123) 14.294 5.504 ( -8.701 0.000 -1.676) 8.861 5.625 ( -0.278 0.000 -17.446) 17.448 5.818 ( -5.383 0.000 -7.677) 9.376 5.924 ( 5.406 0.000 3.758) 6.584 5.972 ( 4.060 0.000 0.184) 4.064 6.315 ( -2.550 0.000 10.481) 10.787 6.611 ( -0.811 0.000 2.705) 2.824 6.784 ( 0.045 0.000 -12.124) 12.124 7.020 ( -0.184 0.000 -16.223) 16.224 7.378 ( 4.832 0.000 -3.409) 5.913 7.424 ( 6.602 0.000 -6.490) 9.257 7.678 ( 0.259 0.000 4.957) 4.963 7.809 ( 4.692 0.000 -4.967) 6.833 8.223 ( -0.120 0.000 4.197) 4.199 8.271 ( -0.613 0.000 3.478) 3.531 9.006 ( -2.675 0.000 9.324) 9.700 9.183 ( -6.203 0.000 -2.906) 6.850 9.652 ( 8.619 0.000 17.859) 19.830 10.017 ( 2.774 0.000 -15.871) 16.111 11.528 ( 4.693 0.000 1.054) 4.810 11.557 ( 8.285 0.000 -0.601) 8.306 12.119 ( 1.907 0.000 6.535) 6.807 12.262 ( 2.820 0.000 -6.321) 6.921 14.200 ( 0.140 0.000 2.784) 2.788 14.261 ( 0.279 0.000 -2.934) 2.947 14.450 ( -2.483 0.000 0.026) 2.483 14.457 ( -2.483 0.000 0.154) 2.487 14.831 ( -1.654 0.000 1.549) 2.266 14.886 ( -4.134 0.000 -3.397) 5.351 15.133 ( 0.003 0.000 4.810) 4.810 15.235 ( 0.553 0.000 -4.641) 4.674 17.491 ( 0.520 0.000 -0.608) 0.800 17.534 ( -1.026 0.000 0.541) 1.160 17.598 ( -0.049 0.000 5.190) 5.190 17.700 ( 0.219 0.000 -4.867) 4.872 22.702 ( 0.175 0.000 2.817) 2.822 22.714 ( 0.409 0.000 2.000) 2.042 22.757 ( -1.165 0.000 -2.306) 2.583 22.765 ( 0.122 0.000 -2.782) 2.785 24.728 ( -0.195 0.000 0.226) 0.298 24.732 ( -0.215 0.000 -0.201) 0.295 24.871 ( 0.094 0.000 0.149) 0.177 24.875 ( 0.101 0.000 -0.142) 0.174 26.474 ( 1.407 0.000 -0.212) 1.423 26.508 ( 2.155 0.000 0.236) 2.168 26.626 ( -1.843 0.000 1.165) 2.181 26.677 ( -0.924 0.000 -0.750) 1.190 39.869 ( 0.046 0.000 3.497) 3.498 39.917 ( -2.910 0.000 2.332) 3.729 39.951 ( 0.121 0.000 -4.127) 4.129 39.967 ( -4.571 0.000 -3.126) 5.538 42.995 ( 1.391 0.000 0.278) 1.418 43.022 ( 0.563 0.000 -0.322) 0.648 43.277 ( 0.605 0.000 0.451) 0.755 43.310 ( -0.016 0.000 -0.571) 0.571 48.748 ( 0.107 0.000 10.164) 10.164 48.959 ( 0.181 0.000 -9.444) 9.446 49.200 ( 2.304 0.000 1.115) 2.560 49.218 ( 1.962 0.000 0.866) 2.145 49.340 ( -0.330 0.000 2.436) 2.458 49.389 ( -1.790 0.000 -2.376) 2.975 51.264 ( 0.696 0.000 7.330) 7.363 51.424 ( -4.527 0.000 -7.061) 8.388 ======================= Grid point 135 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -6.306 2.714 18.614) 19.840 1.101 ( 4.902 -0.087 -19.616) 20.219 1.651 ( -0.113 20.727 12.673) 24.295 1.854 ( 0.048 8.376 -5.805) 10.191 2.198 ( -3.972 -3.413 -0.666) 5.279 2.234 ( 3.103 -5.986 -1.300) 6.866 2.671 ( 1.221 1.451 25.009) 25.080 2.760 ( -0.608 -0.560 6.122) 6.177 2.904 ( -0.191 -3.011 0.083) 3.018 3.064 ( -3.163 1.322 -1.287) 3.662 3.117 ( 2.576 17.969 14.763) 23.398 3.289 ( -2.744 14.959 10.268) 18.350 3.395 ( 0.759 15.235 -11.715) 19.233 3.474 ( 1.182 11.839 -9.856) 15.450 4.512 ( 2.400 -2.753 2.085) 4.206 4.649 ( 0.029 -0.487 -0.467) 0.675 4.676 ( -0.350 5.382 4.749) 7.186 4.838 ( -2.530 -0.715 -3.472) 4.355 5.110 ( -0.174 -0.263 11.739) 11.743 5.196 ( -1.753 4.213 3.922) 6.017 5.233 ( -0.200 3.724 -2.059) 4.260 5.432 ( 1.570 -1.525 -6.134) 6.513 5.591 ( 1.546 -5.764 -10.455) 12.038 5.733 ( -0.590 -1.373 -9.718) 9.833 5.928 ( 0.080 -5.357 4.155) 6.780 5.965 ( -0.137 -5.290 0.400) 5.307 6.352 ( -0.069 5.750 9.424) 11.039 6.532 ( 0.340 -9.425 11.883) 15.171 6.713 ( -0.219 -3.383 -19.608) 19.899 6.877 ( 0.634 -13.061 -16.436) 21.003 7.490 ( -1.610 3.895 -3.222) 5.305 7.505 ( 0.346 4.939 -5.166) 7.156 7.702 ( 0.689 -0.326 7.085) 7.126 7.859 ( 0.049 -2.733 -5.444) 6.091 8.215 ( 0.465 -1.216 5.170) 5.332 8.315 ( -0.410 4.560 -2.101) 5.037 8.975 ( 1.300 -0.492 4.481) 4.691 9.078 ( -0.897 -0.175 -2.000) 2.199 9.653 ( 0.168 -9.072 14.779) 17.342 9.880 ( -0.174 -13.753 -6.491) 15.209 11.598 ( 0.267 0.924 1.595) 1.862 11.624 ( -0.344 -2.736 -0.049) 2.758 12.132 ( 0.039 -0.638 6.774) 6.804 12.279 ( -0.046 -1.200 -6.569) 6.678 14.238 ( -0.035 3.145 0.887) 3.268 14.277 ( 0.017 1.230 -2.380) 2.679 14.421 ( 0.310 -0.038 0.134) 0.340 14.424 ( -0.285 -0.249 -0.035) 0.380 14.823 ( 0.915 0.067 -0.060) 0.919 14.827 ( -0.921 0.002 -0.090) 0.926 15.123 ( -0.103 -0.419 4.775) 4.794 15.231 ( 0.123 -1.022 -4.929) 5.035 17.504 ( 1.231 -0.407 0.064) 1.299 17.506 ( -1.225 -0.420 -0.103) 1.299 17.641 ( -0.186 4.054 5.325) 6.696 17.748 ( 0.192 3.621 -4.537) 5.808 22.668 ( -0.034 -1.125 2.292) 2.553 22.708 ( 0.063 -1.211 -1.382) 1.838 22.816 ( 0.000 4.987 -0.978) 5.082 22.819 ( -0.057 4.056 -0.926) 4.161 24.729 ( -0.010 0.290 0.197) 0.351 24.733 ( 0.010 0.257 -0.167) 0.306 24.871 ( 0.001 -0.136 0.137) 0.193 24.874 ( -0.001 -0.166 -0.130) 0.211 26.507 ( 1.356 0.021 0.666) 1.511 26.517 ( -1.363 -0.119 -0.272) 1.395 26.603 ( 1.164 -1.213 1.347) 2.154 26.634 ( -1.143 -1.737 -1.484) 2.555 39.866 ( -0.199 -0.108 2.315) 2.326 39.890 ( 0.230 -0.331 0.056) 0.407 39.953 ( -0.012 4.570 -1.480) 4.804 39.980 ( -0.018 2.558 -3.418) 4.269 43.015 ( 0.483 -0.008 0.312) 0.575 43.022 ( -0.474 -0.140 -0.312) 0.585 43.289 ( 0.491 -0.123 0.539) 0.739 43.302 ( -0.498 -0.263 -0.689) 0.890 48.773 ( -0.047 2.376 9.725) 10.011 48.948 ( 0.061 -1.004 -6.085) 6.167 49.239 ( -1.098 2.469 0.166) 2.707 49.291 ( 1.379 4.613 -2.444) 5.399 49.339 ( -0.267 -0.093 1.357) 1.386 49.390 ( -0.020 0.937 -0.928) 1.319 50.982 ( -0.195 -31.029 13.095) 33.679 51.138 ( 0.185 -17.039 -3.814) 17.462 ======================= Grid point 136 (62/84) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 41.645 1.830 13.328) 43.764 1.628 ( 7.318 16.593 9.367) 20.412 1.811 ( 16.339 4.304 -8.461) 18.896 1.897 ( 23.025 5.775 -9.089) 25.418 2.141 ( 0.779 0.008 4.268) 4.339 2.285 ( 2.765 -4.568 -2.099) 5.737 2.621 ( -4.778 1.934 26.617) 27.111 2.755 ( -1.749 2.633 9.146) 9.677 2.812 ( -4.398 0.304 0.867) 4.493 3.018 ( 0.748 0.383 -0.333) 0.904 3.137 ( -1.030 10.143 4.822) 11.278 3.241 ( -0.462 14.929 -4.394) 15.569 3.406 ( -0.880 13.891 -9.111) 16.636 3.495 ( 2.340 12.563 -12.373) 17.788 4.593 ( 4.779 -1.658 6.815) 8.487 4.653 ( 2.504 0.012 5.051) 5.638 4.749 ( 5.729 3.842 7.122) 9.915 4.890 ( 7.093 -0.612 0.111) 7.120 5.150 ( 2.192 0.599 9.017) 9.299 5.220 ( 5.007 3.269 3.232) 6.798 5.247 ( 2.333 3.704 -1.871) 4.761 5.521 ( 5.912 -4.296 -14.690) 16.408 5.628 ( 3.669 -1.740 1.262) 4.252 5.797 ( 5.756 -5.479 -9.440) 12.340 5.882 ( -4.241 -4.885 4.361) 7.801 5.918 ( -4.181 -4.287 -0.348) 5.998 6.384 ( 3.029 4.143 10.440) 11.634 6.545 ( 0.798 -8.807 10.619) 13.819 6.703 ( -0.623 -2.926 -19.809) 20.034 6.891 ( 0.685 -12.109 -16.641) 20.591 7.410 ( -5.152 4.703 -2.471) 7.401 7.485 ( -3.838 5.434 -5.813) 8.835 7.696 ( -0.479 -0.430 4.504) 4.550 7.791 ( -4.414 -0.245 -4.909) 6.607 8.219 ( -0.108 -1.247 4.030) 4.220 8.281 ( -1.212 1.832 1.352) 2.580 9.033 ( 3.052 -0.938 8.967) 9.518 9.164 ( 6.158 -0.220 -3.662) 7.168 9.587 ( -6.460 -8.830 16.693) 19.959 9.881 ( -1.679 -11.086 -14.045) 17.972 11.538 ( -6.487 -0.458 1.282) 6.628 11.550 ( -4.320 1.233 0.280) 4.501 12.117 ( -1.480 -0.161 6.400) 6.571 12.253 ( -2.361 -0.777 -6.012) 6.506 14.218 ( -1.414 1.687 1.745) 2.809 14.267 ( -0.923 0.445 -2.531) 2.731 14.444 ( 2.011 -0.300 0.305) 2.056 14.459 ( 2.688 -0.194 -0.178) 2.701 14.840 ( 1.931 0.319 1.451) 2.437 14.878 ( 3.887 -0.181 -2.907) 4.857 15.122 ( -0.016 -0.398 4.589) 4.606 15.229 ( -0.340 -0.914 -4.677) 4.777 17.475 ( -1.439 -0.437 0.099) 1.508 17.527 ( 0.881 -1.165 -0.147) 1.468 17.640 ( 0.105 4.258 4.982) 6.555 17.751 ( 0.077 3.572 -4.187) 5.504 22.670 ( 0.238 -1.172 2.084) 2.402 22.703 ( -0.606 -1.124 -0.652) 1.434 22.813 ( -0.190 4.438 -1.004) 4.554 22.814 ( -0.107 3.598 -1.024) 3.742 24.730 ( 0.149 0.259 0.208) 0.364 24.735 ( 0.192 0.215 -0.180) 0.340 24.871 ( -0.048 -0.085 0.124) 0.158 24.873 ( -0.063 -0.127 -0.124) 0.188 26.474 ( -2.291 0.183 -0.116) 2.301 26.515 ( -0.662 -0.256 -0.487) 0.860 26.627 ( 0.780 -1.192 -0.363) 1.470 26.638 ( 1.714 -1.509 1.222) 2.590 39.854 ( -0.826 -1.147 2.090) 2.523 39.879 ( -0.424 -1.701 0.122) 1.758 39.999 ( 2.603 3.535 -1.223) 4.557 40.026 ( 4.325 4.211 -3.528) 6.992 43.002 ( -1.315 -0.051 -0.404) 1.377 43.013 ( -0.644 -0.090 0.365) 0.746 43.289 ( -0.655 -0.108 -0.689) 0.957 43.295 ( 0.148 -0.186 0.585) 0.632 48.771 ( -0.229 2.302 9.938) 10.203 48.964 ( 0.963 0.388 -7.424) 7.496 49.183 ( -2.939 1.295 1.481) 3.537 49.236 ( -5.489 -0.780 2.115) 5.934 49.339 ( -0.779 0.461 1.688) 1.916 49.436 ( 4.903 4.171 -4.532) 7.872 51.044 ( 5.652 -23.200 11.119) 26.341 51.205 ( 5.503 -17.391 -5.352) 19.010 ======================= Grid point 137 (63/84) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -9.096 -8.015 12.883) 17.691 1.700 ( 2.131 11.963 8.803) 15.005 1.869 ( -0.523 6.189 9.037) 10.966 2.212 ( -3.213 9.426 -0.992) 10.008 2.266 ( 4.361 6.573 2.992) 8.436 2.474 ( 7.900 8.105 -5.837) 12.734 2.666 ( -0.499 10.352 5.142) 11.569 2.726 ( 7.201 0.330 11.709) 13.750 2.909 ( 7.472 7.392 -9.331) 14.055 3.055 ( 0.462 -2.525 -6.940) 7.400 3.118 ( 3.480 3.252 0.723) 4.817 3.309 ( 3.458 9.015 -11.955) 15.367 3.477 ( 16.812 9.288 3.279) 19.485 3.657 ( 16.251 7.320 -15.147) 23.391 4.665 ( 2.995 0.142 6.007) 6.713 4.754 ( 5.771 -0.927 4.767) 7.543 4.869 ( 5.285 2.456 16.147) 17.167 5.087 ( 9.790 -0.397 0.402) 9.806 5.175 ( 1.109 1.702 5.751) 6.099 5.279 ( 2.784 1.505 -3.507) 4.724 5.415 ( 9.518 1.439 7.753) 12.361 5.647 ( 3.020 -2.482 -10.821) 11.506 5.736 ( 2.087 -4.802 4.562) 6.944 5.792 ( -2.042 -2.511 1.783) 3.695 5.837 ( 2.175 -1.176 0.340) 2.496 5.913 ( 5.321 -11.872 -1.477) 13.094 6.456 ( 3.478 0.167 13.649) 14.086 6.569 ( 1.885 -5.287 6.461) 8.558 6.696 ( 0.165 -1.328 -17.028) 17.080 6.905 ( 0.818 -10.923 -17.467) 20.617 7.331 ( -0.683 6.795 -9.016) 11.311 7.364 ( -5.861 7.144 -4.288) 10.187 7.728 ( 3.659 -0.544 1.508) 3.995 7.754 ( 1.453 0.146 -3.534) 3.823 8.221 ( 0.521 -1.260 3.954) 4.182 8.281 ( 0.874 0.710 2.273) 2.537 9.049 ( -2.149 -2.215 14.231) 14.562 9.236 ( -0.159 -1.656 -3.836) 4.181 9.392 ( -12.285 -4.547 17.154) 21.584 9.735 ( -13.529 -4.703 -20.462) 24.977 11.432 ( -3.148 1.186 1.546) 3.702 11.464 ( -3.475 1.215 -0.943) 3.800 12.078 ( -2.194 0.804 5.382) 5.867 12.190 ( -3.627 -0.021 -4.609) 5.865 14.193 ( -0.962 -0.155 2.276) 2.476 14.247 ( -0.952 -0.841 -2.539) 2.839 14.492 ( 2.417 -0.442 0.603) 2.530 14.511 ( 2.322 -0.494 -0.208) 2.383 14.886 ( 2.332 0.556 2.398) 3.391 14.954 ( 3.232 -0.298 -4.672) 5.689 15.122 ( -0.007 -0.229 4.072) 4.078 15.217 ( -0.804 -0.604 -4.009) 4.133 17.462 ( 0.271 -1.161 0.355) 1.244 17.539 ( 0.358 -2.055 -0.644) 2.183 17.645 ( 0.356 4.607 4.317) 6.323 17.751 ( -0.056 3.553 -3.674) 5.112 22.676 ( 0.178 -1.620 1.409) 2.155 22.687 ( -0.782 -1.608 0.456) 1.845 22.810 ( 0.187 3.487 -0.642) 3.550 22.825 ( 0.978 3.232 -1.868) 3.859 24.734 ( 0.227 0.182 0.239) 0.376 24.740 ( 0.272 0.123 -0.222) 0.371 24.869 ( -0.087 0.018 0.107) 0.139 24.872 ( -0.099 -0.029 -0.110) 0.151 26.438 ( -1.135 0.333 0.228) 1.204 26.495 ( -1.053 -0.297 -2.017) 2.294 26.651 ( 1.260 -0.903 0.839) 1.762 26.668 ( 1.164 -1.310 1.239) 2.147 39.839 ( -0.580 -2.268 2.228) 3.232 39.873 ( -0.240 -3.857 -0.721) 3.931 40.051 ( 2.344 4.616 0.286) 5.185 40.102 ( 2.657 3.543 -3.417) 5.594 42.978 ( -0.916 -0.018 -0.635) 1.115 42.995 ( -1.068 -0.098 0.413) 1.149 43.279 ( -0.298 0.056 -0.603) 0.675 43.295 ( -0.194 -0.123 0.527) 0.574 48.763 ( -0.501 1.914 9.991) 10.185 48.955 ( -1.918 -0.193 -6.560) 6.838 49.134 ( -2.495 1.198 0.871) 2.902 49.158 ( -1.267 -0.034 0.386) 1.325 49.320 ( -0.316 0.793 8.056) 8.101 49.553 ( 5.891 2.448 -10.135) 11.976 51.175 ( 6.524 -14.015 9.416) 18.101 51.324 ( 5.692 -14.546 -6.557) 16.941 ======================= Grid point 138 (64/84) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -6.467 -9.774 11.680) 16.546 1.688 ( -3.172 -6.010 -2.270) 7.165 1.885 ( 2.292 14.184 14.454) 20.380 2.150 ( -0.559 15.971 0.907) 16.007 2.348 ( 3.540 13.589 -0.399) 14.049 2.458 ( -4.496 10.112 -4.115) 11.806 2.590 ( -4.446 7.819 -0.003) 8.995 2.825 ( 2.080 1.561 5.808) 6.364 2.939 ( -2.698 19.859 -17.484) 26.596 3.034 ( -0.779 -4.213 -3.871) 5.775 3.238 ( 4.389 6.796 1.747) 8.277 3.328 ( 0.524 6.431 -7.675) 10.027 3.945 ( 22.964 0.558 3.876) 23.296 4.102 ( 20.836 -0.627 -8.786) 22.622 4.726 ( 2.934 0.289 6.792) 7.404 4.852 ( 3.437 -0.612 -0.410) 3.515 4.947 ( 2.477 1.975 16.188) 16.495 5.193 ( 1.469 1.261 8.323) 8.545 5.228 ( 4.450 1.629 -4.535) 6.559 5.354 ( 4.386 -0.148 -4.191) 6.069 5.457 ( -5.799 -1.518 5.619) 8.216 5.564 ( -6.991 -5.815 -0.635) 9.116 5.666 ( -7.418 -3.893 -1.059) 8.445 5.674 ( -6.890 0.297 -2.269) 7.260 6.065 ( 7.965 -15.629 5.397) 18.353 6.157 ( 18.340 -1.771 6.322) 19.480 6.515 ( 2.448 -5.588 16.158) 17.271 6.617 ( 2.312 1.928 5.064) 5.891 6.713 ( 1.382 1.492 -9.877) 10.084 6.925 ( 0.838 -9.943 -18.354) 20.891 7.312 ( 0.906 7.603 -4.357) 8.809 7.420 ( 7.014 6.944 -17.383) 19.989 7.817 ( 7.708 -0.214 5.656) 9.563 7.904 ( 11.704 -3.120 -5.652) 13.367 8.240 ( 1.291 -0.401 4.481) 4.681 8.319 ( 3.765 2.994 0.769) 4.872 8.915 ( -13.042 -0.761 13.766) 18.979 9.046 ( -14.935 -4.455 4.639) 16.262 9.249 ( -2.613 0.816 0.972) 2.905 9.379 ( -18.396 1.473 -13.410) 22.813 11.405 ( -0.098 0.314 0.498) 0.597 11.419 ( -1.110 0.236 -0.654) 1.309 12.036 ( -1.677 1.672 4.159) 4.787 12.120 ( -2.943 0.860 -3.111) 4.368 14.179 ( -0.448 -1.161 2.303) 2.618 14.231 ( -0.571 -1.732 -2.390) 3.007 14.533 ( 1.528 -0.507 0.615) 1.724 14.548 ( 1.271 -0.633 -0.172) 1.430 14.924 ( 1.295 0.637 2.803) 3.153 15.003 ( 1.589 -0.346 -4.783) 5.052 15.121 ( -0.052 0.126 3.460) 3.463 15.200 ( -0.720 -0.219 -3.290) 3.375 17.480 ( 1.233 -2.108 0.651) 2.527 17.540 ( -0.287 -2.420 -0.929) 2.608 17.656 ( 0.707 4.943 3.488) 6.091 17.748 ( -0.260 3.547 -3.378) 4.905 22.670 ( -0.481 -2.056 1.221) 2.439 22.681 ( -0.024 -2.875 0.219) 2.883 22.820 ( 0.609 3.628 -0.111) 3.681 22.846 ( 0.903 2.801 -2.389) 3.790 24.738 ( 0.172 0.103 0.271) 0.337 24.745 ( 0.191 0.032 -0.267) 0.330 24.867 ( -0.072 0.110 0.095) 0.163 24.870 ( -0.078 0.068 -0.097) 0.141 26.426 ( -0.116 0.286 0.476) 0.568 26.477 ( -0.715 -0.271 -2.452) 2.568 26.673 ( 0.843 -0.671 1.266) 1.662 26.685 ( 0.559 -0.953 1.115) 1.569 39.830 ( -0.307 -2.979 2.242) 3.741 39.869 ( -0.156 -4.847 -1.149) 4.984 40.087 ( 1.155 4.828 0.772) 5.024 40.133 ( 0.632 3.157 -2.571) 4.120 42.968 ( -0.122 -0.031 -0.826) 0.836 42.974 ( -0.912 -0.026 0.429) 1.008 43.278 ( 0.145 0.149 -0.477) 0.521 43.288 ( -0.368 0.029 0.398) 0.543 48.753 ( -0.434 1.186 9.455) 9.539 48.914 ( -1.629 -2.523 -4.128) 5.105 49.103 ( -0.688 1.439 0.816) 1.791 49.136 ( -1.231 3.478 -3.240) 4.910 49.336 ( 1.507 1.211 12.038) 12.193 49.652 ( 3.511 0.538 -14.500) 14.928 51.285 ( 3.931 -9.574 8.535) 13.414 51.420 ( 3.563 -11.405 -5.754) 13.262 ======================= Grid point 139 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 4.592 -9.536 4.511) 11.505 1.623 ( -2.195 -10.607 -5.382) 12.095 1.899 ( -1.783 11.130 11.147) 15.853 2.212 ( 6.032 17.776 -3.130) 19.031 2.312 ( -3.473 25.615 5.021) 26.332 2.463 ( 0.028 6.066 5.399) 8.120 2.518 ( -0.125 3.167 -5.699) 6.521 2.854 ( 0.134 2.226 12.162) 12.365 2.872 ( -1.857 24.649 -27.188) 36.746 3.026 ( -0.146 -5.903 -0.932) 5.978 3.270 ( -0.710 7.424 -2.242) 7.787 3.350 ( 1.326 5.791 -5.855) 8.341 4.258 ( 3.841 -1.115 0.754) 4.070 4.298 ( -3.424 -2.127 -0.576) 4.072 4.765 ( -0.034 1.007 6.144) 6.226 4.873 ( -1.305 -1.060 -0.224) 1.697 4.982 ( 1.128 2.012 15.440) 15.611 5.200 ( 0.294 0.720 10.261) 10.290 5.319 ( 2.076 4.452 2.689) 5.600 5.376 ( 0.970 -3.832 -3.074) 5.007 5.393 ( -2.444 -2.719 -9.001) 9.715 5.483 ( 4.380 -3.694 1.538) 5.932 5.506 ( -5.855 -0.773 -1.936) 6.215 5.596 ( 0.922 -4.389 -3.036) 5.416 6.146 ( -0.644 -14.260 5.664) 15.357 6.366 ( 1.139 -4.146 3.761) 5.712 6.547 ( 0.536 -7.975 15.120) 17.102 6.638 ( -0.991 8.049 8.942) 12.072 6.735 ( 0.057 1.356 -7.311) 7.436 6.929 ( -0.457 -10.124 -17.788) 20.473 7.345 ( 0.082 6.982 -4.532) 8.324 7.490 ( 0.052 5.294 -13.597) 14.591 7.961 ( -0.639 -1.815 5.251) 5.592 8.076 ( 0.942 -7.652 -2.429) 8.083 8.269 ( 0.508 0.860 6.553) 6.629 8.445 ( -1.333 7.859 -4.104) 8.966 8.666 ( -2.058 1.554 5.283) 5.879 8.801 ( 3.309 0.828 -7.258) 8.019 9.162 ( -1.377 0.545 3.541) 3.838 9.228 ( 0.464 -0.027 0.257) 0.531 11.407 ( -0.251 -0.378 -0.067) 0.459 11.409 ( 0.220 -0.343 -0.152) 0.435 12.019 ( 0.045 2.045 3.592) 4.134 12.087 ( -0.049 1.349 -2.464) 2.810 14.175 ( 0.017 -1.469 2.275) 2.708 14.225 ( -0.018 -2.035 -2.317) 3.084 14.550 ( 0.132 -0.528 0.616) 0.822 14.560 ( -0.123 -0.658 -0.191) 0.696 14.937 ( -0.103 0.689 2.863) 2.946 15.020 ( 0.127 -0.478 -4.688) 4.714 15.121 ( 0.032 0.387 3.223) 3.246 15.192 ( -0.049 -0.069 -2.977) 2.978 17.503 ( 0.875 -2.652 1.162) 3.025 17.526 ( -1.095 -2.219 -1.048) 2.687 17.670 ( 0.549 5.038 2.924) 5.851 17.741 ( -0.338 3.471 -3.397) 4.869 22.665 ( -0.042 -2.371 1.285) 2.697 22.680 ( 0.026 -3.295 -0.065) 3.296 22.828 ( 0.054 3.718 0.083) 3.719 22.855 ( -0.028 2.688 -2.548) 3.704 24.740 ( 0.010 0.068 0.286) 0.294 24.747 ( -0.009 -0.005 -0.288) 0.289 24.867 ( -0.001 0.147 0.091) 0.173 24.869 ( 0.001 0.109 -0.091) 0.142 26.429 ( 0.276 0.192 0.631) 0.715 26.465 ( -0.528 -0.146 -2.234) 2.300 26.685 ( 0.329 -0.644 1.083) 1.302 26.690 ( -0.092 -0.766 1.006) 1.268 39.827 ( -0.022 -3.257 2.210) 3.936 39.868 ( 0.078 -5.109 -1.300) 5.272 40.099 ( 0.152 4.763 0.887) 4.847 40.136 ( -0.206 3.127 -2.225) 3.844 42.959 ( -0.486 0.093 0.366) 0.615 42.972 ( 0.488 -0.115 -0.820) 0.961 43.278 ( -0.357 0.209 0.177) 0.450 43.287 ( 0.368 0.077 -0.268) 0.462 48.748 ( -0.002 0.809 9.097) 9.133 48.899 ( 0.154 -3.199 -3.735) 4.920 49.092 ( -0.529 0.987 0.206) 1.139 49.125 ( 0.416 5.042 -2.344) 5.576 49.360 ( 0.524 1.535 12.473) 12.578 49.683 ( -0.508 -0.070 -16.241) 16.249 51.322 ( -0.427 -8.277 8.158) 11.629 51.461 ( 0.370 -10.324 -5.057) 11.502 ======================= Grid point 141 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 8.597 -6.859 9.893) 14.793 1.625 ( 2.201 -7.783 -3.274) 8.725 1.839 ( -2.703 7.229 11.436) 13.797 2.280 ( 0.098 14.474 -9.024) 17.057 2.323 ( -0.040 21.579 7.802) 22.946 2.424 ( 2.590 5.943 -1.608) 6.679 2.592 ( 4.830 9.163 1.957) 10.541 2.823 ( -0.948 7.658 -2.067) 7.989 2.884 ( 0.143 15.506 -8.401) 17.636 3.034 ( 1.128 -3.498 -4.058) 5.475 3.227 ( -3.569 6.369 -1.283) 7.413 3.356 ( -1.322 6.000 -6.959) 9.283 3.968 ( -24.325 -0.953 3.551) 24.601 4.098 ( -18.627 -0.069 -10.296) 21.283 4.733 ( -2.447 0.430 7.893) 8.275 4.814 ( -4.272 -1.415 2.645) 5.220 4.973 ( -2.407 2.811 12.758) 13.284 5.189 ( -1.846 1.411 8.580) 8.889 5.224 ( -5.665 1.346 -4.273) 7.222 5.358 ( -4.684 -0.932 -4.092) 6.289 5.503 ( 9.297 -2.317 5.374) 10.985 5.546 ( 6.480 -5.839 -2.407) 9.049 5.643 ( 7.967 -0.928 -2.356) 8.360 5.688 ( 6.699 -3.652 -0.595) 7.653 6.014 ( -12.546 -9.922 6.445) 17.245 6.225 ( -13.781 -2.997 7.128) 15.802 6.537 ( -1.993 -6.697 9.837) 12.066 6.568 ( -4.582 6.039 11.717) 13.956 6.713 ( -1.286 -1.874 -10.450) 10.694 6.906 ( -1.787 -11.012 -18.447) 21.558 7.303 ( -2.185 7.935 -6.769) 10.657 7.436 ( -4.751 6.685 -14.866) 16.978 7.785 ( -8.869 -0.616 4.528) 9.977 7.957 ( -9.526 -3.075 -6.029) 11.686 8.248 ( -1.325 0.192 4.188) 4.397 8.316 ( -4.060 2.711 0.482) 4.905 8.839 ( 12.928 -1.172 14.228) 19.260 9.085 ( 11.728 -2.772 8.499) 14.747 9.248 ( 2.732 0.297 -0.660) 2.826 9.389 ( 20.762 0.784 -13.809) 24.947 11.405 ( 0.306 0.283 0.526) 0.671 11.418 ( 0.892 0.290 -0.606) 1.117 12.038 ( 1.708 1.641 4.169) 4.795 12.118 ( 2.914 0.914 -3.113) 4.361 14.180 ( 0.471 -1.171 2.308) 2.630 14.230 ( 0.548 -1.723 -2.392) 2.999 14.538 ( -1.419 -0.563 0.596) 1.639 14.544 ( -1.375 -0.572 -0.170) 1.499 14.921 ( -1.446 0.751 2.749) 3.195 15.007 ( -1.426 -0.561 -4.805) 5.043 15.123 ( 0.159 0.249 3.518) 3.530 15.198 ( 0.599 -0.293 -3.286) 3.353 17.498 ( -1.358 -1.613 -0.718) 2.227 17.516 ( 0.248 -2.666 1.074) 2.885 17.674 ( -0.197 4.823 3.195) 5.789 17.736 ( -0.095 3.430 -3.691) 5.039 22.669 ( 0.382 -2.029 1.226) 2.401 22.682 ( 0.114 -2.892 0.246) 2.905 22.822 ( -0.527 3.613 -0.119) 3.653 22.845 ( -0.952 2.790 -2.451) 3.834 24.739 ( -0.157 0.100 0.273) 0.331 24.744 ( -0.204 0.037 -0.272) 0.342 24.867 ( 0.070 0.109 0.096) 0.161 24.870 ( 0.079 0.069 -0.096) 0.143 26.438 ( 0.752 0.150 0.744) 1.068 26.456 ( -0.243 0.051 -1.848) 1.864 26.680 ( -0.909 -0.884 0.952) 1.585 26.686 ( -0.195 -0.905 0.611) 1.109 39.829 ( 0.258 -3.091 2.183) 3.793 39.872 ( 0.304 -4.794 -1.281) 4.971 40.091 ( -1.045 4.610 0.961) 4.823 40.126 ( -0.841 3.421 -2.573) 4.363 42.956 ( 0.227 0.178 0.273) 0.397 42.986 ( 0.811 -0.238 -0.680) 1.084 43.271 ( -0.239 0.240 0.231) 0.410 43.296 ( 0.474 -0.058 -0.338) 0.585 48.753 ( 0.455 1.124 9.402) 9.480 48.919 ( 1.713 -2.337 -4.572) 5.413 49.092 ( 0.739 0.768 0.686) 1.268 49.144 ( 1.295 4.035 -2.884) 5.126 49.354 ( -0.973 0.945 12.330) 12.404 49.634 ( -4.176 0.763 -14.701) 15.302 51.269 ( -4.485 -9.367 8.506) 13.424 51.433 ( -3.104 -11.583 -5.537) 13.208 ======================= Grid point 142 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.656 4.213 5.587) 7.028 1.718 ( 7.832 -3.536 14.866) 17.170 1.829 ( 1.127 3.223 7.101) 7.879 2.230 ( -5.426 4.083 -10.016) 12.101 2.295 ( -2.150 14.111 10.243) 17.569 2.461 ( -6.387 7.935 -6.759) 12.224 2.672 ( -0.650 11.001 8.375) 13.841 2.800 ( -1.696 3.403 10.664) 11.322 2.842 ( -4.847 7.727 -9.636) 13.268 3.046 ( -1.099 -1.680 -7.151) 7.428 3.122 ( -5.339 4.122 0.121) 6.746 3.279 ( -5.188 6.506 -11.192) 13.947 3.481 ( -16.181 7.396 0.416) 17.796 3.690 ( -16.305 8.191 -15.360) 23.851 4.663 ( -4.968 -0.210 8.747) 10.062 4.718 ( -4.479 -1.532 6.131) 7.746 4.874 ( -7.153 3.435 13.073) 15.293 5.110 ( -6.453 -0.087 -0.319) 6.461 5.154 ( -1.511 0.284 5.985) 6.179 5.284 ( -2.574 0.847 -2.745) 3.857 5.492 ( -9.734 -2.032 4.898) 11.085 5.632 ( -0.300 -4.437 -8.502) 9.595 5.738 ( -5.217 -2.704 3.691) 6.939 5.770 ( 2.468 -1.202 0.257) 2.757 5.841 ( 0.725 -3.452 -1.466) 3.820 5.920 ( -9.529 -2.504 2.260) 10.108 6.445 ( -4.391 5.307 4.307) 8.124 6.537 ( -0.242 -10.629 16.158) 19.342 6.703 ( 0.198 -3.002 -15.299) 15.592 6.872 ( -0.995 -12.795 -17.758) 21.910 7.337 ( 5.957 7.602 -6.243) 11.500 7.391 ( 1.146 7.063 -8.213) 10.893 7.698 ( -0.971 0.626 0.683) 1.342 7.803 ( -5.014 -1.010 -4.310) 6.688 8.224 ( -1.012 -0.467 3.779) 3.940 8.277 ( -0.553 -0.266 2.580) 2.652 8.999 ( 3.181 -2.320 15.355) 15.852 9.256 ( -0.574 -1.209 -3.114) 3.390 9.359 ( 12.687 -3.623 17.208) 21.684 9.768 ( 13.242 -5.791 -19.893) 24.589 11.437 ( 3.389 1.091 1.591) 3.899 11.459 ( 3.355 1.305 -1.013) 3.740 12.079 ( 2.127 0.797 5.376) 5.836 12.189 ( 3.709 0.026 -4.614) 5.920 14.194 ( 0.961 -0.174 2.277) 2.478 14.246 ( 0.960 -0.816 -2.544) 2.839 14.497 ( -2.420 -0.507 0.504) 2.523 14.506 ( -2.336 -0.420 -0.117) 2.376 14.881 ( -2.350 0.703 2.316) 3.373 14.960 ( -3.229 -0.553 -4.635) 5.676 15.126 ( 0.075 -0.120 4.126) 4.129 15.213 ( 0.734 -0.680 -4.011) 4.134 17.478 ( -0.423 -1.004 -0.893) 1.409 17.518 ( -0.003 -2.085 1.171) 2.391 17.664 ( -0.663 4.566 4.104) 6.175 17.737 ( 0.162 3.484 -3.995) 5.303 22.675 ( 0.029 -1.520 1.394) 2.063 22.687 ( 0.581 -1.707 0.489) 1.868 22.813 ( -0.209 3.431 -0.657) 3.499 22.823 ( -0.946 3.255 -1.946) 3.908 24.735 ( -0.227 0.178 0.241) 0.376 24.739 ( -0.272 0.130 -0.228) 0.378 24.869 ( 0.087 0.014 0.107) 0.139 24.872 ( 0.100 -0.026 -0.110) 0.151 26.457 ( 0.469 0.171 -1.069) 1.179 26.463 ( 1.752 0.068 0.412) 1.801 26.653 ( -1.760 -1.078 0.957) 2.275 26.677 ( -0.698 -1.302 0.071) 1.479 39.837 ( 0.544 -2.430 2.124) 3.272 39.879 ( 0.333 -3.854 -0.940) 3.981 40.054 ( -2.601 4.356 0.530) 5.101 40.095 ( -2.458 3.946 -3.341) 5.725 42.969 ( 1.074 0.183 0.186) 1.105 43.003 ( 0.904 -0.304 -0.421) 1.042 43.270 ( 0.179 0.160 0.277) 0.367 43.304 ( 0.308 -0.217 -0.388) 0.541 48.764 ( 0.549 1.896 9.999) 10.192 48.957 ( 1.549 0.014 -6.956) 7.127 49.126 ( 2.700 -0.211 1.424) 3.060 49.175 ( 1.872 0.942 -1.265) 2.448 49.336 ( -0.234 0.561 9.422) 9.441 49.528 ( -5.849 2.895 -10.283) 12.180 51.156 ( -6.220 -13.470 9.422) 17.576 51.340 ( -5.975 -15.065 -6.287) 17.383 ======================= Grid point 143 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -38.647 0.297 13.846) 41.054 1.600 ( -16.734 10.054 4.730) 20.087 1.782 ( -27.562 8.813 -6.912) 29.751 1.855 ( -3.363 6.915 -5.260) 9.316 2.185 ( -0.642 -2.911 2.732) 4.044 2.277 ( -4.296 -0.278 -3.689) 5.669 2.597 ( 2.910 -1.001 22.072) 22.285 2.775 ( -0.712 0.088 4.744) 4.798 2.855 ( 4.459 3.707 5.134) 7.745 3.034 ( 1.441 3.981 4.098) 5.892 3.111 ( 0.749 9.851 3.313) 10.421 3.269 ( 2.530 14.963 -8.281) 17.288 3.384 ( 1.729 9.953 -6.151) 11.827 3.497 ( -4.880 14.835 -12.353) 19.912 4.539 ( -5.438 -3.399 9.294) 11.292 4.656 ( -1.689 0.320 4.263) 4.596 4.739 ( -4.984 4.728 5.035) 8.517 4.961 ( -7.716 -0.694 0.236) 7.751 5.131 ( -1.041 -0.684 6.664) 6.779 5.243 ( -1.601 2.188 -1.378) 3.041 5.309 ( -8.031 2.976 4.367) 9.614 5.497 ( -8.729 -0.926 -8.428) 12.168 5.583 ( -1.911 -3.664 -8.205) 9.187 5.792 ( -4.029 -2.168 -6.039) 7.576 5.874 ( 4.762 -4.909 3.985) 7.916 5.933 ( 3.090 -3.823 0.110) 4.916 6.379 ( -2.317 5.222 7.526) 9.449 6.533 ( -0.288 -10.304 13.987) 17.375 6.711 ( 0.351 -3.310 -18.477) 18.774 6.867 ( 0.279 -13.611 -16.733) 21.571 7.448 ( 3.425 5.853 -3.602) 7.679 7.479 ( 5.297 4.701 -6.492) 9.608 7.688 ( -0.417 0.937 4.040) 4.168 7.792 ( 4.021 -1.540 -4.209) 6.021 8.210 ( -0.198 -1.222 4.476) 4.644 8.287 ( 1.608 1.601 1.085) 2.515 9.000 ( -2.244 -0.824 9.704) 9.994 9.181 ( -6.144 -0.330 -3.065) 6.874 9.574 ( 7.559 -7.771 16.453) 19.704 9.895 ( 0.582 -11.819 -13.801) 18.180 11.539 ( 5.127 0.448 1.049) 5.252 11.551 ( 5.676 0.253 0.352) 5.692 12.116 ( 1.426 -0.116 6.369) 6.528 12.254 ( 2.410 -0.784 -6.010) 6.522 14.219 ( 1.405 1.682 1.733) 2.794 14.266 ( 0.943 0.472 -2.543) 2.753 14.447 ( -2.271 -0.267 0.156) 2.292 14.455 ( -2.447 -0.216 -0.003) 2.457 14.835 ( -1.850 0.423 1.377) 2.345 14.883 ( -3.981 -0.349 -2.842) 4.903 15.126 ( -0.093 -0.359 4.629) 4.644 15.225 ( 0.463 -0.951 -4.678) 4.796 17.482 ( 0.799 -0.554 -0.562) 1.123 17.518 ( -0.066 -1.046 0.668) 1.242 17.650 ( -0.675 4.267 4.980) 6.593 17.742 ( 0.323 3.575 -4.310) 5.609 22.671 ( -0.241 -1.152 2.103) 2.409 22.701 ( 0.594 -1.116 -0.644) 1.419 22.813 ( 0.040 4.397 -1.079) 4.528 22.815 ( 0.250 3.575 -1.047) 3.733 24.731 ( -0.164 0.256 0.210) 0.369 24.735 ( -0.179 0.220 -0.185) 0.338 24.871 ( 0.049 -0.089 0.124) 0.160 24.873 ( 0.062 -0.123 -0.123) 0.185 26.476 ( 1.373 0.217 -0.193) 1.404 26.506 ( 2.052 -0.199 0.160) 2.067 26.614 ( -1.829 -1.087 1.038) 2.367 26.659 ( -1.111 -1.670 -0.697) 2.123 39.853 ( 1.015 -1.151 1.945) 2.477 39.883 ( 0.073 -1.898 0.078) 1.901 39.995 ( -2.838 3.599 -1.206) 4.740 40.026 ( -3.929 4.343 -3.358) 6.751 42.995 ( 1.337 0.105 0.208) 1.357 43.020 ( 0.614 -0.248 -0.238) 0.704 43.277 ( 0.528 0.016 0.403) 0.665 43.307 ( -0.033 -0.303 -0.528) 0.610 48.772 ( 0.198 2.360 10.004) 10.280 48.962 ( -0.885 0.255 -7.455) 7.512 49.201 ( 3.949 -0.095 0.909) 4.053 49.226 ( 3.422 0.400 1.593) 3.795 49.353 ( 1.183 0.678 2.788) 3.104 49.417 ( -4.429 4.256 -4.689) 7.728 51.040 ( -4.801 -22.515 11.166) 25.586 51.208 ( -6.221 -18.102 -5.283) 19.857 ======================= Grid point 144 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -2.498 7.182 13.820) 15.773 1.107 ( 2.860 -0.155 -14.192) 14.478 1.969 ( 0.760 3.609 -0.929) 3.803 2.001 ( -0.973 6.340 -0.413) 6.428 2.097 ( 1.239 1.379 2.254) 2.918 2.197 ( -1.991 2.338 -3.407) 4.587 2.695 ( 2.185 -1.177 13.584) 13.809 2.780 ( 1.135 2.143 20.838) 20.979 2.816 ( -0.643 -4.391 -3.445) 5.618 3.050 ( -3.297 -1.517 7.562) 8.388 3.612 ( -2.073 16.504 1.603) 16.711 3.639 ( 0.487 31.415 7.521) 32.306 3.703 ( 1.606 15.920 -5.047) 16.778 3.855 ( -0.113 25.220 -13.925) 28.810 4.472 ( 3.510 -1.210 -0.789) 3.795 4.611 ( -0.732 -2.891 -4.294) 5.228 4.776 ( -0.889 4.248 2.646) 5.083 4.840 ( -1.429 -0.587 -0.078) 1.547 5.103 ( 0.411 -0.616 9.252) 9.281 5.262 ( 0.741 2.074 2.772) 3.540 5.300 ( -0.645 0.886 -4.805) 4.929 5.389 ( -1.478 -1.347 -7.808) 8.060 5.481 ( 1.230 -4.907 3.443) 6.119 5.690 ( -0.823 -3.465 -10.533) 11.119 5.805 ( 0.877 -5.948 3.653) 7.035 5.843 ( -1.343 -5.707 2.187) 6.257 6.198 ( -0.139 -19.038 11.917) 22.460 6.412 ( 0.584 -11.546 -0.317) 11.565 6.631 ( -1.182 0.279 -9.707) 9.782 6.741 ( 2.432 1.767 -13.450) 13.782 7.573 ( -1.658 4.431 -1.279) 4.901 7.628 ( 0.029 7.088 -5.123) 8.746 7.695 ( 0.073 -0.209 4.692) 4.697 7.816 ( 0.886 -1.398 -2.290) 2.825 8.182 ( 0.586 -1.796 5.310) 5.637 8.397 ( -0.466 3.063 -9.311) 9.813 8.956 ( 0.941 -1.597 6.425) 6.687 9.070 ( -0.630 -0.902 -1.377) 1.763 9.423 ( -1.439 -13.139 9.467) 16.258 9.554 ( 1.296 -17.525 -0.648) 17.585 11.588 ( -0.092 -0.427 2.930) 2.962 11.618 ( 0.071 0.611 0.007) 0.615 12.131 ( 0.001 0.818 5.730) 5.788 12.251 ( -0.035 -1.700 -5.054) 5.333 14.299 ( -0.047 2.705 -1.049) 2.902 14.306 ( -0.000 1.569 -1.282) 2.026 14.417 ( -0.126 -0.443 0.098) 0.470 14.419 ( 0.157 -0.225 -0.178) 0.327 14.824 ( 0.484 0.025 0.125) 0.500 14.827 ( -0.472 -0.019 -0.020) 0.473 15.128 ( -0.088 0.954 2.853) 3.010 15.208 ( 0.143 -1.202 -4.371) 4.535 17.497 ( 0.805 -0.315 0.001) 0.864 17.499 ( -0.799 -0.339 -0.119) 0.876 17.730 ( -0.135 4.584 4.943) 6.743 17.812 ( 0.121 2.432 -2.407) 3.424 22.662 ( -0.024 0.211 1.750) 1.763 22.691 ( 0.041 -0.600 -1.010) 1.176 22.888 ( -0.077 3.163 -0.096) 3.165 22.903 ( 0.055 3.280 -1.589) 3.645 24.736 ( -0.005 0.384 0.154) 0.414 24.739 ( 0.003 0.319 -0.103) 0.335 24.868 ( 0.004 -0.181 0.088) 0.201 24.870 ( -0.004 -0.227 -0.083) 0.242 26.509 ( 0.908 0.172 0.441) 1.023 26.515 ( -0.922 -0.045 -0.165) 0.938 26.577 ( 0.802 -1.266 0.650) 1.634 26.597 ( -0.790 -1.825 -1.242) 2.345 39.866 ( -0.211 0.082 1.638) 1.653 39.882 ( 0.196 -0.403 0.143) 0.471 40.038 ( 0.724 3.171 -2.783) 4.280 40.043 ( -0.707 3.953 -3.608) 5.399 43.016 ( 0.335 0.020 0.127) 0.359 43.020 ( -0.328 -0.116 -0.230) 0.417 43.286 ( 0.338 -0.113 0.346) 0.497 43.295 ( -0.349 -0.376 -0.516) 0.728 48.831 ( -0.098 3.227 7.750) 8.395 48.932 ( 0.112 -0.646 -2.037) 2.140 49.276 ( -0.855 0.329 1.301) 1.591 49.304 ( 1.999 -1.315 -1.077) 2.624 49.371 ( -1.635 4.420 6.376) 7.929 49.540 ( 0.461 13.254 -8.677) 15.849 50.348 ( -0.148 -30.592 25.811) 40.026 50.722 ( 0.166 -23.968 -11.487) 26.579 ======================= Grid point 145 (70/84) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 34.640 5.389 12.483) 37.213 1.780 ( 24.794 2.572 -12.733) 27.991 1.913 ( 6.915 -1.930 2.112) 7.484 1.983 ( 16.232 3.596 -4.061) 17.114 2.195 ( 8.568 7.142 0.740) 11.179 2.264 ( 5.727 3.865 0.613) 6.937 2.650 ( -8.807 0.303 27.757) 29.122 2.743 ( 0.750 -2.773 5.676) 6.362 2.794 ( -1.019 -2.423 -2.970) 3.967 3.016 ( -0.036 -0.457 -2.612) 2.652 3.546 ( -5.893 25.451 1.552) 26.170 3.613 ( -0.466 23.104 -0.255) 23.110 3.713 ( -0.591 15.734 -3.523) 16.134 3.845 ( -0.686 23.888 -12.679) 27.053 4.563 ( 5.592 -1.119 6.686) 8.788 4.648 ( 3.097 -0.785 -0.521) 3.237 4.805 ( 4.124 1.284 3.003) 5.261 4.895 ( 6.511 0.142 0.915) 6.577 5.155 ( 3.875 -0.788 9.171) 9.987 5.273 ( 0.291 1.561 1.234) 2.012 5.320 ( 3.444 2.772 -4.488) 6.300 5.395 ( 2.137 -7.407 -10.123) 12.724 5.557 ( 5.141 -6.033 6.133) 10.023 5.702 ( 1.008 -4.574 -7.547) 8.882 5.781 ( -1.604 -4.023 5.000) 6.615 5.821 ( -1.462 -4.307 0.514) 4.577 6.202 ( 0.700 -16.943 12.457) 21.041 6.448 ( 3.292 -11.691 -4.491) 12.949 6.609 ( -0.959 -1.419 -8.736) 8.902 6.793 ( 2.681 3.905 -10.489) 11.509 7.511 ( -3.668 5.250 -1.772) 6.645 7.595 ( -3.830 5.141 -4.064) 7.591 7.688 ( -0.157 -0.267 2.867) 2.884 7.794 ( -2.339 0.745 -3.530) 4.300 8.192 ( 0.211 -0.848 2.973) 3.099 8.331 ( -2.952 3.084 -3.020) 5.229 8.994 ( 1.205 -3.432 9.858) 10.508 9.138 ( 3.983 -3.770 -3.349) 6.425 9.370 ( -2.533 -11.080 13.162) 17.390 9.629 ( 3.880 -12.981 -10.332) 17.038 11.540 ( -3.986 0.777 2.538) 4.789 11.575 ( -3.850 0.989 -0.479) 4.004 12.124 ( -0.704 1.116 5.362) 5.522 12.233 ( -1.662 -1.292 -4.463) 4.934 14.254 ( -3.319 1.740 0.223) 3.754 14.277 ( -2.380 0.578 -1.709) 2.986 14.436 ( 1.902 -0.464 0.543) 2.032 14.454 ( 2.350 -0.280 -0.481) 2.415 14.847 ( 2.299 0.381 0.956) 2.518 14.872 ( 3.527 -0.413 -1.665) 3.922 15.127 ( 0.034 1.008 2.811) 2.987 15.209 ( -0.113 -1.079 -4.145) 4.285 17.471 ( -1.541 0.046 -0.017) 1.542 17.505 ( 0.012 -1.006 -0.171) 1.021 17.732 ( 0.245 4.631 4.588) 6.524 17.813 ( 0.068 2.426 -2.129) 3.228 22.661 ( -0.113 0.027 1.451) 1.455 22.686 ( -0.668 -0.625 -0.803) 1.217 22.878 ( -0.702 2.875 -0.048) 2.960 22.893 ( -0.783 3.188 -1.262) 3.517 24.737 ( 0.078 0.350 0.159) 0.392 24.740 ( 0.103 0.260 -0.116) 0.302 24.868 ( 0.055 -0.121 0.068) 0.149 24.870 ( 0.030 -0.172 -0.076) 0.190 26.479 ( -1.969 0.422 -0.045) 2.014 26.509 ( -0.898 -0.398 -0.544) 1.123 26.601 ( 1.167 -1.334 -0.312) 1.799 26.607 ( 1.677 -1.477 0.772) 2.364 39.833 ( -2.130 -0.866 1.209) 2.598 39.854 ( -2.298 -0.891 -0.393) 2.495 40.070 ( 3.159 3.433 -0.685) 4.715 40.106 ( 3.992 3.516 -4.061) 6.693 43.002 ( -1.217 0.062 -0.248) 1.244 43.011 ( -0.721 -0.137 0.168) 0.753 43.287 ( -0.429 -0.126 -0.488) 0.662 43.291 ( 0.128 -0.245 0.389) 0.477 48.826 ( -0.325 3.095 8.810) 9.343 48.972 ( 2.299 0.240 -3.783) 4.433 49.194 ( -5.244 -0.581 1.135) 5.397 49.220 ( -5.926 -0.619 1.338) 6.107 49.364 ( -0.537 2.716 7.142) 7.660 49.579 ( 2.705 10.209 -10.125) 14.630 50.532 ( 15.051 -25.437 18.371) 34.800 50.815 ( 8.014 -21.524 -8.885) 24.626 ======================= Grid point 146 (71/84) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -12.920 -4.140 8.683) 16.108 1.707 ( -7.843 -3.703 -3.410) 9.319 2.131 ( 2.392 13.678 13.325) 19.245 2.357 ( 0.826 8.483 -5.138) 9.952 2.416 ( 3.766 5.371 7.092) 9.661 2.606 ( 10.734 4.442 -7.604) 13.885 2.699 ( 8.859 -1.693 5.545) 10.588 2.907 ( 20.246 5.347 3.067) 21.163 2.927 ( 14.525 -3.827 -4.788) 15.765 3.036 ( 10.656 -0.224 -6.276) 12.369 3.404 ( -6.082 28.328 5.194) 29.435 3.635 ( 0.360 21.095 -13.075) 24.821 3.715 ( 4.275 14.687 4.313) 15.893 3.868 ( 5.106 15.739 -12.774) 20.903 4.667 ( 3.484 0.103 5.375) 6.406 4.733 ( 5.401 -1.063 4.317) 6.995 4.906 ( 5.094 -0.087 9.281) 10.588 5.071 ( 8.841 -2.148 -0.316) 9.104 5.210 ( 1.871 1.222 5.041) 5.514 5.281 ( 0.593 -2.273 -1.396) 2.732 5.400 ( 2.502 -4.040 2.204) 5.238 5.496 ( 4.076 -14.252 -10.081) 17.926 5.628 ( 2.476 -5.269 8.442) 10.255 5.717 ( 0.378 -3.847 -3.396) 5.145 5.741 ( -4.611 -3.696 3.856) 7.056 5.833 ( 7.459 0.207 4.281) 8.603 6.236 ( 3.080 -12.739 9.056) 15.931 6.554 ( 6.767 -9.574 -8.987) 14.772 6.598 ( 0.303 -2.581 -4.159) 4.905 6.847 ( 2.502 5.791 -2.858) 6.926 7.468 ( 0.129 6.576 -7.375) 9.882 7.497 ( -3.501 5.678 -3.465) 7.517 7.717 ( 3.320 -0.484 0.203) 3.361 7.761 ( -0.193 0.630 -2.074) 2.176 8.202 ( 1.176 -0.035 3.116) 3.330 8.322 ( 1.523 3.732 -0.755) 4.101 8.971 ( -3.289 -5.869 12.519) 14.212 9.118 ( -6.157 -10.409 1.684) 12.210 9.340 ( -1.429 -0.077 7.983) 8.110 9.626 ( -5.631 -5.854 -17.245) 19.062 11.460 ( -3.365 1.562 1.510) 4.005 11.489 ( -4.077 1.125 -0.830) 4.310 12.104 ( -1.255 1.824 4.348) 4.879 12.188 ( -2.597 -0.283 -3.178) 4.113 14.192 ( -2.543 0.063 1.291) 2.852 14.227 ( -2.317 -1.049 -1.878) 3.162 14.481 ( 2.314 -0.567 0.648) 2.469 14.500 ( 2.084 -0.579 -0.378) 2.196 14.899 ( 2.510 0.695 1.443) 2.977 14.943 ( 3.141 -0.771 -2.911) 4.351 15.129 ( 0.129 1.028 2.750) 2.939 15.203 ( -0.410 -0.768 -3.502) 3.608 17.450 ( -0.389 -0.094 0.222) 0.457 17.502 ( -0.203 -1.657 -0.661) 1.795 17.739 ( 0.451 4.587 3.814) 5.982 17.814 ( -0.009 2.547 -1.781) 3.108 22.653 ( -0.713 -0.738 0.658) 1.219 22.663 ( -1.497 -0.870 -0.204) 1.744 22.871 ( 0.166 2.591 0.111) 2.598 22.886 ( 0.256 2.677 -1.132) 2.918 24.739 ( 0.125 0.249 0.170) 0.326 24.743 ( 0.152 0.138 -0.151) 0.255 24.870 ( 0.040 0.012 0.045) 0.062 24.871 ( 0.029 -0.040 -0.064) 0.081 26.447 ( -1.107 0.622 0.127) 1.276 26.487 ( -1.057 -0.526 -1.587) 1.978 26.630 ( 1.502 -1.099 0.726) 1.998 26.640 ( 1.499 -1.344 0.907) 2.208 39.795 ( -1.568 -2.062 0.983) 2.771 39.812 ( -1.743 -2.375 -0.562) 2.999 40.133 ( 2.626 3.605 0.213) 4.465 40.171 ( 2.175 3.100 -3.059) 4.868 42.979 ( -0.921 0.122 -0.358) 0.996 42.992 ( -1.027 -0.173 0.188) 1.058 43.281 ( -0.132 0.115 -0.382) 0.420 43.291 ( -0.054 -0.194 0.378) 0.428 48.811 ( -1.309 2.793 9.343) 9.839 48.944 ( -4.093 -1.006 -1.029) 4.339 49.129 ( -2.567 -1.004 1.644) 3.209 49.181 ( 2.333 1.213 -5.377) 5.985 49.354 ( 0.498 2.869 10.378) 10.778 49.635 ( 2.620 5.957 -13.209) 14.725 50.839 ( 13.641 -18.078 10.819) 25.098 50.998 ( 9.069 -17.362 -4.921) 20.197 ======================= Grid point 147 (72/84) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -7.347 -5.812 2.086) 9.597 1.551 ( -7.053 -6.175 -5.819) 11.033 2.154 ( 1.169 11.980 14.915) 19.167 2.354 ( 0.857 7.626 -12.327) 14.520 2.508 ( 3.063 5.830 1.661) 6.792 2.620 ( -2.031 4.191 -8.001) 9.258 2.808 ( 3.750 -2.480 3.522) 5.711 2.921 ( -2.338 -1.994 -3.199) 4.436 3.168 ( -0.804 36.258 8.958) 37.357 3.373 ( 10.639 12.098 -1.958) 16.229 3.398 ( 4.171 13.113 0.763) 13.781 3.573 ( -4.657 23.926 -11.635) 27.009 3.982 ( 18.245 3.790 3.328) 18.929 4.108 ( 15.500 1.975 -11.116) 19.176 4.729 ( 3.065 0.099 4.092) 5.114 4.822 ( 3.057 -2.438 -0.889) 4.010 4.989 ( 2.843 1.129 13.304) 13.651 5.187 ( 2.974 -3.410 1.688) 4.829 5.256 ( 2.253 0.310 -0.622) 2.358 5.295 ( 0.855 -6.103 -0.246) 6.168 5.372 ( -5.504 -9.700 1.747) 11.289 5.443 ( -5.873 -5.092 0.993) 7.837 5.538 ( -9.377 -11.144 4.834) 15.345 5.648 ( -7.056 -5.039 -4.973) 9.995 5.795 ( 8.353 -5.629 6.812) 12.160 6.115 ( 13.784 -2.552 -0.589) 14.030 6.320 ( 4.168 -8.153 6.774) 11.390 6.644 ( 4.470 -3.241 -2.117) 5.914 6.674 ( 4.118 -5.465 -5.189) 8.588 6.886 ( 1.173 7.178 5.410) 9.065 7.454 ( 0.992 6.310 -2.054) 6.710 7.565 ( 4.583 6.986 -14.128) 16.414 7.813 ( 7.566 -0.087 3.845) 8.487 7.842 ( 7.886 -2.847 -2.980) 8.898 8.241 ( 2.433 0.901 4.482) 5.179 8.391 ( 6.120 4.074 -3.078) 7.970 8.871 ( -7.191 -3.964 10.273) 13.151 8.933 ( -10.449 -6.410 3.412) 12.724 9.274 ( -4.410 1.750 0.368) 4.758 9.404 ( -14.616 0.709 -12.670) 19.356 11.412 ( -1.455 0.340 0.530) 1.585 11.424 ( -2.219 0.211 -0.503) 2.285 12.079 ( -0.984 2.550 3.245) 4.242 12.139 ( -1.984 0.920 -1.970) 2.943 14.154 ( -1.218 -1.208 1.547) 2.310 14.190 ( -1.302 -2.236 -1.712) 3.103 14.522 ( 1.515 -0.602 0.481) 1.700 14.534 ( 1.175 -0.749 -0.222) 1.411 14.940 ( 1.374 0.851 1.658) 2.315 14.991 ( 1.563 -0.808 -3.221) 3.670 15.132 ( 0.138 1.010 2.599) 2.792 15.195 ( -0.410 -0.418 -2.805) 2.866 17.453 ( 0.586 -0.630 0.455) 0.973 17.498 ( -0.316 -1.864 -1.033) 2.154 17.751 ( 0.709 4.463 2.886) 5.362 17.812 ( -0.200 2.715 -1.557) 3.136 22.634 ( -1.086 -1.630 0.102) 1.961 22.637 ( -0.838 -1.568 0.075) 1.779 22.882 ( 0.699 2.621 0.196) 2.720 22.898 ( 0.653 2.249 -1.183) 2.623 24.741 ( 0.097 0.147 0.183) 0.254 24.745 ( 0.107 0.022 -0.187) 0.217 24.870 ( 0.011 0.133 0.040) 0.139 24.871 ( 0.011 0.084 -0.059) 0.103 26.434 ( -0.248 0.522 0.198) 0.611 26.469 ( -0.639 -0.495 -1.948) 2.109 26.657 ( 1.050 -0.832 1.148) 1.764 26.664 ( 0.873 -1.031 0.989) 1.674 39.770 ( -0.829 -2.811 0.871) 3.057 39.785 ( -0.853 -3.504 -0.570) 3.652 40.170 ( 1.138 3.596 0.194) 3.776 40.195 ( 0.447 2.839 -1.792) 3.387 42.968 ( -0.201 0.038 -0.539) 0.577 42.973 ( -0.780 -0.057 0.194) 0.806 43.282 ( 0.187 0.224 -0.272) 0.399 43.289 ( -0.173 0.010 0.330) 0.373 48.782 ( -1.269 1.631 7.760) 8.031 48.872 ( -2.562 -1.798 -0.393) 3.154 49.111 ( 0.326 0.012 3.515) 3.530 49.195 ( -0.892 1.376 -1.232) 2.051 49.402 ( 3.350 5.638 4.443) 7.922 49.677 ( 1.360 2.095 -15.468) 15.668 51.052 ( 7.140 -12.906 7.839) 16.703 51.151 ( 5.578 -14.663 -2.472) 15.882 ======================= Grid point 148 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.361 -6.359 -7.762) 11.376 1.447 ( -2.652 -6.934 -6.504) 9.870 2.135 ( -4.397 12.087 9.167) 15.795 2.412 ( 5.780 6.807 -11.622) 14.657 2.521 ( -1.061 5.195 0.289) 5.310 2.593 ( -0.684 4.072 -6.827) 7.979 2.840 ( -0.424 0.502 5.849) 5.885 2.909 ( -0.242 -5.658 0.929) 5.739 3.137 ( 0.414 40.952 11.932) 42.657 3.445 ( 0.009 11.060 -0.948) 11.101 3.474 ( -2.055 33.935 -14.556) 36.982 3.505 ( 1.891 9.578 -2.264) 10.022 4.242 ( 0.335 -0.427 0.990) 1.129 4.270 ( -0.695 -0.090 -4.565) 4.618 4.774 ( 0.023 -0.225 1.390) 1.408 4.843 ( -1.341 -2.402 -2.757) 3.895 5.022 ( -0.494 1.286 17.890) 17.943 5.184 ( 1.966 -3.553 8.078) 9.041 5.260 ( 0.378 -7.603 -1.088) 7.689 5.285 ( -0.027 -9.648 3.547) 10.280 5.344 ( -0.199 -6.393 6.778) 9.319 5.408 ( 1.793 1.692 -8.528) 8.877 5.431 ( -1.660 -11.429 -3.333) 12.020 5.507 ( -1.214 -3.725 -4.195) 5.740 5.899 ( 1.154 -7.850 6.749) 10.416 6.257 ( 0.672 -6.205 -6.358) 8.909 6.368 ( 0.106 -6.445 7.845) 10.153 6.695 ( -1.350 -8.655 -11.928) 14.799 6.748 ( 3.295 2.224 4.475) 5.986 6.877 ( -2.666 7.832 10.814) 13.616 7.483 ( 0.102 6.541 -2.354) 6.952 7.592 ( -0.451 4.190 -7.899) 8.953 7.938 ( -1.180 -0.624 0.761) 1.537 7.961 ( 1.227 -3.936 -0.325) 4.136 8.285 ( 0.877 1.187 6.751) 6.910 8.534 ( -1.241 0.809 -5.175) 5.383 8.709 ( -1.538 2.795 4.371) 5.411 8.814 ( 3.158 0.269 -5.321) 6.194 9.183 ( -1.614 1.548 -1.119) 2.501 9.228 ( 0.367 0.004 -1.796) 1.833 11.398 ( -0.170 -0.459 0.048) 0.491 11.401 ( 0.156 -0.481 -0.123) 0.520 12.069 ( 0.025 2.864 2.765) 3.981 12.117 ( -0.011 1.525 -1.494) 2.135 14.142 ( 0.013 -1.648 1.555) 2.266 14.176 ( -0.011 -2.641 -1.613) 3.095 14.539 ( 0.103 -0.598 0.385) 0.718 14.545 ( -0.092 -0.800 -0.158) 0.821 14.953 ( -0.035 0.942 1.704) 1.947 15.007 ( 0.016 -0.814 -3.194) 3.296 15.134 ( 0.078 0.995 2.500) 2.692 15.189 ( -0.093 -0.280 -2.501) 2.519 17.467 ( 0.612 -1.103 0.712) 1.448 17.488 ( -0.691 -1.610 -1.204) 2.126 17.763 ( 0.386 4.285 2.387) 4.920 17.807 ( -0.307 2.860 -1.495) 3.242 22.622 ( -0.007 -1.852 0.228) 1.866 22.627 ( -0.007 -2.091 -0.151) 2.096 22.891 ( 0.037 2.654 0.189) 2.661 22.905 ( -0.024 2.128 -1.206) 2.446 24.742 ( 0.008 0.103 0.187) 0.214 24.746 ( -0.005 -0.023 -0.203) 0.205 24.870 ( -0.002 0.180 0.040) 0.184 24.872 ( 0.002 0.135 -0.058) 0.146 26.434 ( 0.189 0.373 0.220) 0.473 26.460 ( -0.307 -0.324 -1.882) 1.934 26.670 ( 0.172 -0.754 1.062) 1.314 26.673 ( -0.058 -0.884 1.067) 1.387 39.761 ( -0.046 -3.056 0.810) 3.162 39.778 ( 0.070 -3.913 -0.570) 3.955 40.182 ( 0.028 3.503 0.073) 3.504 40.198 ( -0.057 2.825 -1.251) 3.090 42.961 ( -0.338 0.139 0.145) 0.393 42.969 ( 0.338 -0.136 -0.567) 0.674 43.283 ( -0.248 0.270 0.148) 0.396 43.289 ( 0.261 0.104 -0.079) 0.292 48.768 ( -0.036 1.121 6.870) 6.961 48.847 ( 0.150 -2.097 -0.461) 2.153 49.116 ( -0.326 1.373 3.537) 3.808 49.182 ( 0.304 0.471 2.656) 2.714 49.445 ( 0.321 7.221 1.201) 7.327 49.686 ( -0.378 0.353 -16.323) 16.331 51.121 ( -0.294 -11.015 7.060) 13.087 51.211 ( 0.256 -13.898 -1.578) 13.990 ======================= Grid point 150 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 10.894 -5.150 -4.709) 12.938 1.466 ( 5.118 -6.748 -4.618) 9.646 2.027 ( -4.280 10.081 14.039) 17.805 2.468 ( -3.906 7.228 -2.850) 8.696 2.549 ( 3.257 7.964 -4.843) 9.873 2.590 ( 2.268 5.658 -10.915) 12.501 2.822 ( -1.105 -0.850 5.062) 5.251 2.878 ( -1.514 -4.630 -1.638) 5.139 3.171 ( -0.206 33.028 9.028) 34.240 3.373 ( -6.381 16.726 0.488) 17.908 3.417 ( -5.598 12.718 -1.801) 14.012 3.558 ( 2.872 23.015 -12.244) 26.227 3.962 ( -20.109 1.182 4.015) 20.540 4.121 ( -13.338 2.986 -10.948) 17.512 4.739 ( -2.343 0.151 5.034) 5.554 4.787 ( -3.948 -1.579 1.663) 4.566 4.988 ( -2.759 -2.657 10.633) 11.302 5.189 ( -3.160 -2.677 0.774) 4.213 5.248 ( -3.057 -1.422 1.494) 3.688 5.293 ( -3.436 -4.480 0.813) 5.704 5.403 ( 4.920 -8.871 -2.896) 10.550 5.424 ( 4.047 -7.189 0.968) 8.307 5.500 ( 10.178 -10.447 7.971) 16.622 5.665 ( 9.570 -0.591 -4.896) 10.766 5.842 ( -6.201 -5.558 4.897) 9.661 6.162 ( -10.090 -3.737 -3.496) 11.313 6.323 ( -4.134 -8.373 6.791) 11.547 6.613 ( -5.857 -8.868 -10.058) 14.632 6.758 ( -5.945 5.055 9.926) 12.626 6.776 ( -2.724 2.995 0.638) 4.098 7.450 ( -1.563 6.537 -4.113) 7.880 7.565 ( -2.713 5.624 -10.963) 12.617 7.776 ( -8.205 -0.107 2.352) 8.537 7.897 ( -5.947 -2.747 -2.719) 7.093 8.270 ( -1.452 2.689 3.917) 4.968 8.374 ( -7.563 2.906 -3.763) 8.934 8.800 ( 7.174 -2.625 10.032) 12.610 8.995 ( 9.050 -6.474 5.489) 12.407 9.263 ( 4.230 1.326 0.204) 4.437 9.399 ( 15.317 0.074 -12.322) 19.658 11.412 ( 1.585 0.320 0.535) 1.703 11.424 ( 2.087 0.256 -0.475) 2.156 12.080 ( 1.010 2.529 3.218) 4.215 12.139 ( 1.990 0.985 -1.996) 2.985 14.154 ( 1.233 -1.214 1.541) 2.317 14.189 ( 1.294 -2.217 -1.713) 3.086 14.525 ( -1.448 -0.676 0.467) 1.664 14.531 ( -1.233 -0.670 -0.236) 1.423 14.938 ( -1.436 0.962 1.648) 2.389 14.992 ( -1.519 -0.933 -3.136) 3.607 15.135 ( -0.020 0.973 2.608) 2.783 15.191 ( 0.248 -0.461 -2.777) 2.826 17.471 ( -0.717 -0.997 -1.012) 1.591 17.477 ( 0.373 -1.337 0.662) 1.538 17.762 ( -0.412 4.040 2.852) 4.963 17.803 ( -0.016 3.002 -1.757) 3.478 22.633 ( 1.026 -1.473 0.158) 1.802 22.637 ( 0.884 -1.730 0.056) 1.944 22.883 ( -0.674 2.542 0.180) 2.636 22.897 ( -0.659 2.311 -1.207) 2.689 24.741 ( -0.087 0.141 0.181) 0.245 24.745 ( -0.114 0.031 -0.193) 0.226 24.870 ( -0.015 0.130 0.042) 0.137 24.871 ( -0.007 0.087 -0.060) 0.106 26.442 ( 0.691 0.296 0.285) 0.804 26.457 ( 0.023 -0.011 -1.607) 1.607 26.660 ( -1.118 -1.015 1.103) 1.869 26.665 ( -0.637 -1.082 0.618) 1.400 39.769 ( 0.766 -2.770 0.835) 2.993 39.788 ( 0.953 -3.599 -0.607) 3.772 40.171 ( -1.154 3.371 0.233) 3.570 40.194 ( -0.475 3.106 -1.739) 3.592 42.961 ( 0.301 0.293 0.099) 0.431 42.980 ( 0.682 -0.314 -0.447) 0.873 43.277 ( -0.251 0.363 0.198) 0.484 43.294 ( 0.256 -0.124 -0.178) 0.335 48.781 ( 1.270 1.607 7.624) 7.894 48.877 ( 2.732 -1.888 -0.555) 3.367 49.104 ( -0.381 0.453 3.284) 3.337 49.200 ( 0.846 1.069 -1.077) 1.738 49.413 ( -3.026 5.204 4.806) 7.703 49.665 ( -1.693 2.468 -15.575) 15.859 51.043 ( -7.331 -12.490 7.839) 16.468 51.158 ( -5.455 -15.037 -2.347) 16.167 ======================= Grid point 151 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 7.067 -4.144 5.267) 9.740 1.660 ( 11.474 -3.944 -5.340) 13.256 2.002 ( 1.250 10.961 17.788) 20.931 2.368 ( -6.202 8.395 -1.001) 10.485 2.494 ( -6.194 7.159 2.348) 9.754 2.596 ( -12.416 5.924 -8.645) 16.248 2.775 ( -5.442 -1.381 8.133) 9.883 2.862 ( -9.921 -3.649 -6.973) 12.663 2.933 ( -18.999 3.857 1.772) 19.468 3.048 ( -12.533 -0.619 -7.614) 14.678 3.404 ( 4.950 27.261 7.182) 28.622 3.615 ( 1.944 21.419 -12.808) 25.032 3.678 ( -4.947 16.516 2.570) 17.431 3.908 ( -5.763 14.096 -12.105) 19.454 4.654 ( -7.633 -0.557 10.254) 12.795 4.704 ( -2.944 -0.152 3.256) 4.392 4.897 ( -5.579 -2.597 7.046) 9.355 5.097 ( -6.185 -2.134 -0.727) 6.583 5.171 ( -3.071 1.444 5.442) 6.414 5.265 ( -0.449 -3.271 0.099) 3.303 5.398 ( -4.166 -7.429 0.501) 8.533 5.484 ( 1.928 -10.564 -4.207) 11.533 5.682 ( 0.710 -2.758 -0.349) 2.869 5.729 ( -1.596 -5.301 3.726) 6.673 5.767 ( -0.448 -0.280 -3.401) 3.442 5.918 ( -8.932 0.743 3.343) 9.566 6.237 ( -3.328 -13.761 6.602) 15.621 6.499 ( -5.107 -9.732 -8.285) 13.764 6.639 ( -2.367 0.996 5.733) 6.282 6.742 ( -1.826 1.854 -7.711) 8.139 7.474 ( 4.062 6.070 -4.588) 8.626 7.529 ( 0.504 6.109 -7.079) 9.365 7.711 ( 0.496 0.484 -0.267) 0.743 7.783 ( -4.630 -0.690 -2.858) 5.485 8.230 ( -2.613 1.470 1.749) 3.471 8.294 ( -0.498 2.670 0.553) 2.772 8.921 ( 4.353 -5.677 13.145) 14.966 9.155 ( 5.628 -9.298 2.160) 11.081 9.325 ( 1.769 0.432 8.952) 9.135 9.629 ( 5.329 -7.477 -17.189) 19.488 11.463 ( 3.501 1.437 1.545) 4.088 11.486 ( 3.985 1.238 -0.878) 4.265 12.105 ( 1.230 1.819 4.292) 4.821 12.188 ( 2.641 -0.214 -3.224) 4.173 14.192 ( 2.538 0.050 1.267) 2.837 14.227 ( 2.341 -1.012 -1.885) 3.171 14.485 ( -2.284 -0.614 0.627) 2.447 14.496 ( -2.132 -0.527 -0.377) 2.228 14.897 ( -2.534 0.852 1.417) 3.026 14.945 ( -3.105 -0.929 -2.803) 4.285 15.134 ( -0.121 0.931 2.823) 2.975 15.198 ( 0.363 -0.813 -3.454) 3.567 17.463 ( 0.074 -0.425 -0.935) 1.029 17.487 ( 0.584 -1.170 0.727) 1.496 17.751 ( -0.629 4.055 3.768) 5.571 17.804 ( 0.129 2.968 -1.993) 3.577 22.653 ( 0.771 -0.711 0.670) 1.244 22.662 ( 1.441 -0.912 -0.174) 1.714 22.872 ( -0.159 2.506 0.074) 2.512 22.885 ( -0.258 2.740 -1.151) 2.983 24.739 ( -0.128 0.234 0.168) 0.315 24.742 ( -0.150 0.156 -0.158) 0.268 24.869 ( -0.042 0.006 0.048) 0.064 24.871 ( -0.027 -0.033 -0.066) 0.079 26.462 ( 0.794 0.266 -0.541) 0.997 26.466 ( 1.351 0.167 -0.311) 1.396 26.629 ( -1.843 -1.147 0.989) 2.385 26.647 ( -1.135 -1.599 0.051) 1.961 39.793 ( 1.609 -1.940 0.930) 2.686 39.815 ( 1.712 -2.583 -0.618) 3.160 40.132 ( -2.734 3.424 0.252) 4.389 40.170 ( -2.073 3.351 -2.964) 4.930 42.974 ( 1.029 0.321 0.053) 1.080 42.996 ( 0.914 -0.375 -0.225) 1.013 43.274 ( 0.043 0.300 0.209) 0.368 43.298 ( 0.141 -0.370 -0.266) 0.477 48.812 ( 1.451 2.789 9.311) 9.828 48.948 ( 3.695 -0.992 -1.357) 4.059 49.119 ( 2.084 -0.457 0.866) 2.303 49.191 ( -1.471 0.363 -4.819) 5.051 49.365 ( -0.746 2.526 10.882) 11.196 49.621 ( -2.490 6.533 -13.325) 15.048 50.832 ( -13.240 -17.532 10.899) 24.525 51.002 ( -9.479 -17.852 -4.797) 20.774 ======================= Grid point 152 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -34.034 1.741 12.287) 36.226 1.748 ( -35.015 6.194 -11.494) 37.371 1.909 ( -0.027 -2.816 2.007) 3.458 1.965 ( -10.868 5.701 -1.841) 12.410 2.167 ( -7.512 5.490 1.557) 9.434 2.318 ( -7.866 3.852 -3.445) 9.411 2.583 ( 4.629 -1.297 20.460) 21.017 2.767 ( -0.676 -1.901 9.275) 9.492 2.823 ( -0.557 -3.978 -2.919) 4.965 3.069 ( 2.171 0.907 -0.092) 2.355 3.547 ( 7.552 27.510 2.684) 28.653 3.634 ( 0.770 15.945 -0.451) 15.970 3.667 ( 1.001 21.744 -5.873) 22.545 3.857 ( -0.502 22.718 -11.972) 25.684 4.490 ( -6.061 -1.460 8.127) 10.243 4.651 ( -2.436 -0.577 0.857) 2.646 4.809 ( -2.756 1.364 2.748) 4.125 4.949 ( -7.700 -1.419 -1.354) 7.946 5.125 ( -1.852 0.306 7.562) 7.792 5.258 ( -0.341 -1.224 1.503) 1.968 5.329 ( -2.219 -1.984 -3.568) 4.647 5.451 ( -4.089 -4.280 -11.741) 13.148 5.534 ( -6.806 -0.446 6.023) 9.099 5.732 ( -2.180 -4.693 -7.005) 8.709 5.766 ( 1.922 -4.749 4.413) 6.762 5.858 ( -0.400 -2.514 0.324) 2.566 6.204 ( -0.473 -18.590 10.142) 21.182 6.424 ( -2.012 -9.453 0.356) 9.671 6.641 ( 0.763 -2.018 -7.270) 7.583 6.713 ( -0.400 2.475 -11.174) 11.452 7.563 ( 2.327 4.218 -2.678) 5.511 7.581 ( 4.573 6.315 -4.702) 9.105 7.711 ( -2.168 1.308 1.612) 3.001 7.762 ( 3.511 -1.070 -2.288) 4.325 8.186 ( -1.267 -0.880 3.517) 3.840 8.335 ( 4.092 3.413 -3.309) 6.273 8.963 ( -0.146 -3.221 10.420) 10.907 9.156 ( -4.812 -3.103 -3.277) 6.597 9.384 ( 3.987 -10.048 13.661) 17.421 9.616 ( -4.813 -14.731 -10.634) 18.795 11.544 ( 3.885 0.674 2.564) 4.703 11.572 ( 3.943 1.035 -0.555) 4.114 12.125 ( 0.672 1.138 5.304) 5.466 12.234 ( 1.662 -1.271 -4.501) 4.964 14.254 ( 3.329 1.724 0.176) 3.753 14.278 ( 2.384 0.623 -1.734) 3.013 14.440 ( -2.003 -0.475 0.522) 2.123 14.450 ( -2.276 -0.274 -0.436) 2.333 14.845 ( -2.287 0.497 0.922) 2.515 14.874 ( -3.522 -0.523 -1.582) 3.896 15.131 ( -0.153 0.917 2.908) 3.053 15.204 ( 0.276 -1.104 -4.103) 4.258 17.476 ( 1.068 -0.114 -0.438) 1.160 17.500 ( 0.542 -0.796 0.325) 1.017 17.738 ( -0.620 4.363 4.590) 6.363 17.808 ( 0.215 2.689 -2.232) 3.502 22.662 ( 0.111 -0.004 1.468) 1.473 22.685 ( 0.679 -0.601 -0.787) 1.201 22.880 ( 0.712 2.877 -0.055) 2.965 22.891 ( 0.758 3.163 -1.303) 3.504 24.737 ( -0.089 0.332 0.157) 0.378 24.740 ( -0.096 0.279 -0.120) 0.318 24.868 ( -0.051 -0.126 0.069) 0.152 24.870 ( -0.035 -0.166 -0.077) 0.186 26.482 ( 1.322 0.440 -0.188) 1.406 26.501 ( 1.792 -0.219 -0.052) 1.806 26.591 ( -1.736 -1.041 0.750) 2.159 26.621 ( -1.348 -1.945 -0.639) 2.452 39.833 ( 2.326 -0.787 1.128) 2.702 39.855 ( 2.056 -1.025 -0.384) 2.329 40.067 ( -3.215 3.399 -0.710) 4.732 40.108 ( -3.879 3.599 -3.954) 6.605 42.999 ( 1.201 0.209 0.070) 1.221 43.014 ( 0.734 -0.281 -0.138) 0.799 43.279 ( 0.337 0.112 0.265) 0.443 43.299 ( -0.054 -0.475 -0.399) 0.623 48.829 ( 0.303 3.131 8.930) 9.468 48.968 ( -2.249 0.296 -3.871) 4.486 49.190 ( 5.999 -0.904 1.721) 6.306 49.225 ( 4.415 -0.553 0.390) 4.466 49.375 ( 0.997 2.331 7.563) 7.976 49.569 ( -2.522 10.747 -10.346) 15.129 50.534 ( -14.838 -25.366 18.513) 34.733 50.811 ( -8.142 -21.588 -8.885) 24.724 ======================= Grid point 153 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 2.778 6.651 5.478) 9.053 1.073 ( -1.234 -3.225 -2.352) 4.178 1.947 ( -1.587 -1.460 -2.896) 3.611 1.978 ( 1.297 -1.927 -2.855) 3.680 2.266 ( 0.059 6.521 0.005) 6.521 2.283 ( -1.208 4.132 -1.437) 4.538 2.657 ( 0.963 -1.338 3.054) 3.471 2.694 ( 0.293 -5.011 -0.156) 5.022 2.865 ( 6.247 3.292 18.964) 20.236 3.008 ( -7.592 -2.257 18.352) 19.989 3.861 ( -0.764 7.476 -2.278) 7.852 3.938 ( 0.304 7.217 -2.578) 7.669 4.230 ( 3.486 23.626 -7.039) 24.898 4.336 ( -0.571 20.244 -10.097) 22.630 4.481 ( 1.284 3.799 -0.329) 4.024 4.570 ( -1.378 0.146 -4.036) 4.267 4.727 ( 0.189 -12.042 -1.278) 12.111 4.771 ( -1.024 -7.468 -5.578) 9.377 5.111 ( -0.940 2.990 11.924) 12.329 5.250 ( -0.286 -4.244 5.190) 6.711 5.278 ( 3.706 -0.867 4.662) 6.018 5.372 ( -2.317 -0.124 -4.374) 4.951 5.448 ( -1.812 2.318 -1.516) 3.309 5.571 ( 0.111 -8.636 -9.042) 12.504 5.755 ( 2.501 1.518 2.699) 3.981 5.823 ( -3.248 4.441 1.061) 5.603 5.873 ( 0.839 -11.515 7.554) 13.797 6.087 ( -0.592 -15.642 -3.110) 15.959 6.713 ( -3.018 3.351 -5.640) 7.221 6.789 ( 4.783 1.958 -4.855) 7.091 7.653 ( -0.042 3.216 2.520) 4.086 7.691 ( -1.744 0.038 3.690) 4.082 7.734 ( -0.871 1.747 -1.955) 2.763 7.812 ( 2.079 1.010 -2.491) 3.398 8.176 ( 1.407 1.606 -4.024) 4.555 8.409 ( -1.890 -1.801 -8.329) 8.728 8.926 ( 0.763 -0.360 8.019) 8.063 9.023 ( -0.632 -4.026 3.502) 5.374 9.232 ( -3.412 -4.334 2.608) 6.101 9.290 ( 3.837 -7.873 0.804) 8.795 11.598 ( -0.073 1.017 2.319) 2.533 11.618 ( 0.075 -0.584 0.633) 0.865 12.164 ( -0.002 2.305 2.542) 3.431 12.212 ( -0.046 -2.323 -1.669) 2.861 14.332 ( -0.079 0.934 -0.765) 1.210 14.335 ( -0.006 0.851 -1.148) 1.429 14.410 ( -0.150 -0.143 -0.050) 0.213 14.413 ( 0.212 -0.359 -0.391) 0.571 14.824 ( 0.281 0.030 0.153) 0.321 14.826 ( -0.282 -0.035 0.084) 0.297 15.154 ( -0.023 1.518 -0.131) 1.523 15.184 ( 0.141 -1.296 -2.618) 2.925 17.493 ( 0.134 -0.117 -0.058) 0.187 17.494 ( -0.135 -0.131 -0.086) 0.207 17.803 ( 0.047 2.717 3.207) 4.203 17.834 ( -0.079 -0.119 0.724) 0.738 22.670 ( 0.003 0.571 0.925) 1.086 22.681 ( 0.015 -0.520 -0.075) 0.525 22.933 ( -0.129 1.375 -0.282) 1.409 22.941 ( 0.116 0.700 -0.949) 1.185 24.742 ( 0.014 0.184 0.068) 0.197 24.744 ( -0.017 0.140 0.011) 0.142 24.865 ( 0.007 -0.084 0.018) 0.086 24.866 ( -0.007 -0.112 -0.017) 0.114 26.513 ( 0.273 0.236 0.201) 0.413 26.515 ( -0.288 0.022 0.017) 0.290 26.560 ( 0.234 -0.334 -0.156) 0.437 26.568 ( -0.226 -1.026 -0.829) 1.338 39.869 ( -0.212 0.233 1.056) 1.102 39.875 ( 0.188 -0.359 0.531) 0.668 40.087 ( 0.704 1.600 -2.982) 3.457 40.094 ( -0.675 1.174 -3.643) 3.886 43.016 ( 0.115 0.028 -0.064) 0.135 43.018 ( -0.113 -0.043 -0.141) 0.186 43.285 ( 0.119 0.059 0.061) 0.146 43.289 ( -0.133 -0.280 -0.246) 0.396 48.887 ( -0.062 2.298 4.304) 4.880 48.918 ( 0.028 -0.993 1.002) 1.411 49.268 ( -0.356 -0.323 0.337) 0.587 49.276 ( 0.437 -1.129 -0.348) 1.260 49.535 ( -0.061 12.149 15.667) 19.826 49.845 ( 0.051 -6.755 10.264) 12.287 49.858 ( -0.211 4.834 0.276) 4.846 50.259 ( 0.179 -22.817 -14.813) 27.204 ======================= Grid point 154 (78/84) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 22.023 3.999 12.153) 25.469 1.803 ( 45.086 -0.637 -12.031) 46.668 1.839 ( -1.245 -2.386 4.567) 5.301 2.003 ( 21.516 -0.082 -7.985) 22.950 2.343 ( 4.427 6.058 0.396) 7.514 2.367 ( 7.920 3.924 1.972) 9.057 2.635 ( -7.131 -1.152 7.312) 10.279 2.661 ( -0.490 -4.205 2.549) 4.942 2.765 ( -6.048 -0.477 14.346) 15.576 3.006 ( 1.587 -0.369 -0.647) 1.753 3.843 ( -0.247 8.003 -4.758) 9.314 3.914 ( -2.637 6.106 -3.618) 7.572 4.225 ( -2.231 30.251 1.140) 30.355 4.337 ( 0.408 22.537 -7.004) 23.604 4.554 ( 4.302 0.317 3.909) 5.821 4.630 ( 6.249 -1.283 -3.988) 7.523 4.739 ( 0.872 -10.422 -1.291) 10.537 4.781 ( 2.187 -13.703 -7.289) 15.674 5.134 ( 3.031 1.362 11.110) 11.597 5.256 ( 0.823 -4.459 0.910) 4.624 5.281 ( -4.163 -1.231 0.381) 4.358 5.383 ( 1.522 2.243 -1.112) 2.930 5.440 ( 3.233 -2.874 3.505) 5.568 5.584 ( 1.068 -7.109 -4.524) 8.494 5.747 ( -0.560 0.027 5.564) 5.592 5.793 ( -0.728 0.423 2.693) 2.822 5.968 ( 7.252 -3.893 3.306) 8.870 6.149 ( 6.216 -13.112 -7.906) 16.525 6.644 ( -3.233 1.626 -0.551) 3.660 6.880 ( 3.897 3.083 -4.053) 6.412 7.593 ( -3.591 2.599 1.151) 4.580 7.661 ( -5.492 1.425 -2.089) 6.046 7.688 ( 0.417 0.177 0.839) 0.953 7.815 ( -1.478 0.914 -2.407) 2.969 8.208 ( 1.018 2.112 -4.148) 4.764 8.380 ( 0.101 1.141 -2.067) 2.363 8.917 ( -1.900 -2.317 8.225) 8.754 8.990 ( -2.972 -8.481 4.424) 10.017 9.257 ( 5.481 -1.525 5.093) 7.636 9.443 ( 8.314 -5.063 -8.584) 12.979 11.562 ( -3.188 1.112 1.826) 3.839 11.582 ( -3.325 -0.247 0.283) 3.346 12.159 ( -0.520 2.212 2.504) 3.381 12.201 ( -0.958 -1.992 -1.314) 2.571 14.279 ( -4.143 0.818 -0.571) 4.262 14.285 ( -3.704 0.146 -1.022) 3.845 14.429 ( 1.888 -0.227 0.698) 2.025 14.449 ( 2.169 -0.155 -0.738) 2.296 14.853 ( 2.672 0.266 0.375) 2.712 14.864 ( 3.062 -0.310 -0.641) 3.144 15.155 ( 0.068 1.535 -0.041) 1.537 15.187 ( 0.052 -1.226 -2.482) 2.769 17.476 ( -1.194 0.455 -0.091) 1.281 17.488 ( -0.651 -0.761 -0.144) 1.012 17.806 ( 0.158 2.768 3.182) 4.220 17.836 ( 0.230 -0.143 0.541) 0.605 22.666 ( -0.513 0.409 0.716) 0.971 22.676 ( -0.637 -0.452 -0.149) 0.795 22.918 ( -1.040 1.083 0.101) 1.505 22.932 ( -0.809 0.943 -1.002) 1.596 24.742 ( 0.027 0.193 0.065) 0.206 24.743 ( 0.018 0.086 -0.003) 0.088 24.867 ( 0.136 -0.057 0.002) 0.148 24.868 ( 0.115 -0.085 -0.011) 0.143 26.489 ( -1.609 0.535 -0.099) 1.699 26.500 ( -1.277 -0.461 -0.439) 1.427 26.581 ( 1.425 -0.637 0.206) 1.574 26.588 ( 1.635 -0.492 -0.138) 1.713 39.822 ( -3.059 -0.278 0.965) 3.220 39.842 ( -3.039 -0.316 -0.539) 3.102 40.120 ( 3.203 1.453 -0.853) 3.619 40.153 ( 3.732 1.207 -3.905) 5.535 43.004 ( -1.052 0.166 -0.131) 1.073 43.008 ( -0.859 -0.169 -0.021) 0.876 43.285 ( -0.165 -0.029 -0.140) 0.218 43.287 ( 0.035 -0.139 0.043) 0.149 48.876 ( -0.115 1.623 6.800) 6.992 48.972 ( 2.219 -0.158 -0.772) 2.355 49.177 ( -5.368 -0.631 1.790) 5.694 49.208 ( -5.591 -0.481 -0.920) 5.687 49.437 ( -3.487 3.528 15.086) 15.880 49.797 ( -3.193 9.873 -16.174) 19.216 50.154 ( 21.247 -11.463 17.138) 29.607 50.439 ( 13.811 -14.272 -9.337) 21.946 ======================= Grid point 155 (79/84) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -14.788 -1.220 6.436) 16.174 1.651 ( -9.580 -1.631 -3.947) 10.489 2.337 ( -2.631 6.876 17.157) 18.670 2.469 ( 0.028 1.317 -1.624) 2.091 2.535 ( 5.640 7.447 1.038) 9.399 2.629 ( 8.485 -1.953 -1.931) 8.919 2.675 ( 4.363 -0.667 -1.113) 4.552 2.833 ( 25.183 -4.018 -6.364) 26.283 2.948 ( 32.854 1.036 -0.410) 32.873 3.015 ( 11.070 -1.524 -7.206) 13.296 3.842 ( -0.572 9.647 0.291) 9.668 3.892 ( 2.485 4.986 -8.062) 9.800 4.165 ( -3.182 32.655 3.875) 33.037 4.334 ( -1.060 27.341 -7.538) 28.381 4.669 ( 4.970 -0.178 6.400) 8.105 4.709 ( 1.615 -3.476 0.824) 3.920 4.770 ( 3.333 -17.147 4.428) 18.020 4.871 ( 5.659 -17.854 -8.895) 20.735 5.181 ( -0.545 -3.249 3.755) 4.995 5.223 ( -1.255 -1.342 -0.785) 1.998 5.269 ( -1.106 -3.898 0.149) 4.055 5.323 ( -1.181 -3.321 -0.820) 3.619 5.581 ( 1.818 0.198 7.015) 7.249 5.651 ( 6.881 -3.984 6.531) 10.289 5.682 ( -5.006 -1.095 0.896) 5.202 5.839 ( 6.379 -0.157 9.603) 11.530 6.134 ( 8.818 2.165 -6.030) 10.900 6.316 ( 9.260 -10.165 -13.883) 19.539 6.607 ( 0.472 0.509 9.045) 9.071 6.950 ( 3.177 3.271 4.419) 6.350 7.557 ( -2.569 2.189 -2.294) 4.081 7.572 ( 1.485 1.968 -5.570) 6.091 7.710 ( 2.344 -0.183 -0.803) 2.484 7.776 ( -1.677 0.622 -1.182) 2.144 8.230 ( 1.731 2.147 0.040) 2.759 8.411 ( 2.256 3.950 -0.511) 4.577 8.854 ( -3.762 -3.770 8.088) 9.684 8.911 ( -4.490 -8.740 4.115) 10.653 9.356 ( 2.035 0.898 1.756) 2.834 9.535 ( -0.692 -2.870 -12.624) 12.965 11.486 ( -3.930 0.875 1.037) 4.158 11.502 ( -4.181 0.199 -0.229) 4.193 12.143 ( -0.940 2.028 2.167) 3.113 12.175 ( -1.510 -1.148 -0.669) 2.012 14.197 ( -3.645 0.427 0.159) 3.673 14.209 ( -3.502 -0.794 -0.954) 3.715 14.473 ( 2.261 -0.247 0.683) 2.375 14.491 ( 1.924 -0.250 -0.530) 2.012 14.912 ( 2.748 0.620 0.264) 2.830 14.928 ( 2.903 -0.722 -1.166) 3.211 15.156 ( 0.068 1.518 0.329) 1.554 15.186 ( -0.155 -1.102 -1.957) 2.251 17.456 ( -0.590 0.696 -0.073) 0.915 17.475 ( -0.510 -1.190 -0.398) 1.355 17.810 ( 0.252 2.428 2.864) 3.764 17.842 ( 0.249 0.250 0.133) 0.377 22.645 ( -1.571 -0.157 0.234) 1.596 22.652 ( -1.679 -0.283 -0.175) 1.712 22.906 ( 0.095 0.940 0.431) 1.039 22.921 ( -0.058 0.917 -0.888) 1.278 24.743 ( 0.040 0.157 0.071) 0.177 24.744 ( 0.051 0.017 -0.049) 0.073 24.870 ( 0.147 0.003 -0.011) 0.147 24.870 ( 0.137 -0.021 -0.012) 0.139 26.461 ( -1.097 0.747 -0.250) 1.350 26.475 ( -1.089 -0.680 -0.913) 1.576 26.613 ( 1.689 -0.544 0.872) 1.977 26.622 ( 1.660 -0.451 0.324) 1.750 39.766 ( -2.325 -0.798 0.548) 2.519 39.781 ( -2.705 -0.796 -0.633) 2.890 40.183 ( 2.615 1.429 -0.001) 2.980 40.213 ( 1.966 1.091 -2.772) 3.569 42.983 ( -0.955 0.239 -0.128) 0.992 42.988 ( -0.983 -0.232 -0.044) 1.011 43.283 ( 0.022 0.156 -0.049) 0.165 43.287 ( 0.044 -0.190 0.098) 0.219 48.863 ( -1.866 2.280 7.577) 8.129 48.918 ( -4.879 -1.573 3.659) 6.299 49.112 ( -2.599 -0.498 0.674) 2.731 49.191 ( 3.165 0.033 -5.965) 6.753 49.415 ( 1.737 2.421 11.442) 11.824 49.754 ( -1.408 4.656 -17.345) 18.014 50.564 ( 17.966 -8.201 11.239) 22.723 50.719 ( 12.668 -9.105 -3.248) 15.935 ======================= Grid point 156 (80/84) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -8.098 -1.791 -1.915) 8.512 1.469 ( -7.808 -2.120 -6.533) 10.399 2.325 ( 2.794 4.949 13.639) 14.776 2.466 ( -0.751 3.472 -12.999) 13.476 2.610 ( 0.639 4.032 -0.089) 4.083 2.671 ( -0.819 1.248 -2.965) 3.319 2.749 ( 4.188 -2.815 1.443) 5.248 2.850 ( -2.884 -3.043 -3.918) 5.738 3.498 ( 16.779 4.689 1.555) 17.491 3.521 ( 15.204 3.095 -1.121) 15.556 3.853 ( 2.124 16.254 1.373) 16.450 4.028 ( 9.282 9.935 -7.382) 15.472 4.150 ( 4.013 22.089 2.954) 22.644 4.317 ( 0.513 24.709 -8.698) 26.200 4.698 ( -0.679 -12.658 -0.755) 12.699 4.727 ( 1.115 -6.455 -0.321) 6.559 4.890 ( 6.498 -13.317 11.489) 18.750 4.957 ( 2.216 -14.172 -4.899) 15.158 5.136 ( -3.007 -6.010 -0.323) 6.728 5.167 ( -3.306 -5.134 -0.619) 6.138 5.257 ( -0.530 -1.889 2.079) 2.858 5.318 ( -1.463 -3.517 -0.372) 3.828 5.423 ( -11.578 -0.135 12.192) 16.814 5.565 ( -5.461 -1.905 -3.476) 6.748 5.830 ( 6.664 4.358 5.660) 9.769 6.025 ( 8.444 -5.619 11.745) 15.518 6.297 ( 6.562 4.155 -12.800) 14.972 6.468 ( 5.067 -8.090 -15.256) 17.996 6.691 ( 7.009 1.145 15.702) 17.233 7.000 ( 1.455 3.374 11.844) 12.401 7.540 ( 1.617 2.373 0.206) 2.879 7.661 ( 1.709 2.558 -9.455) 9.943 7.798 ( 6.217 -1.156 -0.763) 6.370 7.817 ( 8.841 0.056 1.829) 9.028 8.278 ( 2.797 2.163 0.952) 3.662 8.458 ( 2.368 2.125 -1.922) 3.717 8.789 ( -2.150 -2.882 5.687) 6.728 8.825 ( -3.484 -4.048 1.745) 5.619 9.308 ( -5.906 1.278 -1.616) 6.255 9.405 ( -11.092 -0.339 -10.618) 15.359 11.417 ( -2.561 0.136 0.522) 2.617 11.427 ( -2.959 0.066 -0.343) 2.979 12.125 ( -0.714 1.908 1.697) 2.651 12.147 ( -1.092 -0.256 -0.181) 1.136 14.140 ( -1.897 -0.100 0.471) 1.957 14.153 ( -1.925 -1.381 -0.706) 2.472 14.513 ( 1.533 -0.253 0.380) 1.599 14.523 ( 1.081 -0.321 -0.275) 1.161 14.956 ( 1.508 0.851 0.214) 1.745 14.974 ( 1.568 -0.905 -1.397) 2.286 15.157 ( 0.012 1.402 0.687) 1.561 15.182 ( -0.203 -0.952 -1.383) 1.691 17.452 ( 0.122 0.448 -0.050) 0.467 17.468 ( -0.184 -1.158 -0.611) 1.322 17.818 ( 0.540 2.184 2.096) 3.075 17.844 ( -0.002 0.535 0.017) 0.535 22.612 ( -1.416 -0.573 -0.063) 1.529 22.617 ( -1.484 -0.488 -0.191) 1.574 22.918 ( 0.784 0.969 0.274) 1.277 22.927 ( 0.438 0.770 -0.628) 1.086 24.744 ( 0.037 0.111 0.063) 0.133 24.745 ( 0.040 -0.036 -0.073) 0.091 24.872 ( 0.081 0.060 -0.010) 0.101 24.873 ( 0.081 0.035 -0.019) 0.090 26.446 ( -0.416 0.633 -0.375) 0.845 26.458 ( -0.541 -0.618 -1.190) 1.446 26.644 ( 1.263 -0.397 1.159) 1.759 26.650 ( 1.024 -0.377 0.759) 1.329 39.730 ( -1.153 -1.133 0.229) 1.633 39.738 ( -1.465 -1.244 -0.397) 1.963 40.220 ( 1.100 1.400 -0.066) 1.782 40.234 ( 0.326 1.004 -1.481) 1.818 42.969 ( -0.369 0.105 -0.233) 0.449 42.972 ( -0.596 -0.096 -0.091) 0.610 43.286 ( 0.172 0.188 -0.018) 0.255 43.288 ( 0.037 -0.079 0.180) 0.200 48.812 ( -2.190 1.467 5.173) 5.806 48.842 ( -2.647 -1.383 2.429) 3.849 49.109 ( 1.535 -0.131 5.332) 5.550 49.202 ( -1.549 -0.071 1.888) 2.444 49.509 ( 6.089 3.752 -2.252) 7.498 49.722 ( -2.050 1.818 -16.357) 16.585 50.850 ( 9.944 -6.163 7.398) 13.842 50.920 ( 6.742 -7.281 0.728) 9.950 ======================= Grid point 157 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.300 -2.100 -12.526) 13.763 1.358 ( -2.620 -2.219 -6.568) 7.411 2.332 ( -7.323 6.992 -0.002) 10.125 2.486 ( 7.715 0.689 -4.564) 8.990 2.610 ( 0.398 3.460 -0.810) 3.576 2.655 ( -0.541 1.761 -3.509) 3.963 2.799 ( 0.333 -2.362 2.038) 3.137 2.821 ( -1.191 -2.953 2.597) 4.109 3.621 ( -0.302 6.086 -0.232) 6.097 3.658 ( 0.125 4.873 -0.472) 4.897 3.890 ( 0.954 29.866 0.607) 29.888 4.110 ( -1.382 21.064 -1.068) 21.136 4.263 ( -0.506 6.471 -0.416) 6.504 4.346 ( -0.076 13.657 -7.472) 15.568 4.693 ( 0.050 -19.680 -1.049) 19.708 4.732 ( -0.528 -7.607 -2.427) 8.002 4.911 ( -6.523 -8.056 5.200) 11.597 5.027 ( 5.360 -14.500 3.872) 15.937 5.095 ( 2.483 -3.910 3.249) 5.658 5.124 ( -0.269 -5.828 -0.174) 5.837 5.190 ( -1.772 -2.271 8.712) 9.176 5.263 ( 1.268 -3.226 7.845) 8.576 5.414 ( -3.156 0.331 -7.737) 8.363 5.451 ( 3.881 -1.868 -6.655) 7.927 5.903 ( 0.420 5.482 8.944) 10.498 6.104 ( -0.215 -8.290 9.150) 12.349 6.375 ( 0.310 5.427 -11.804) 12.996 6.516 ( -0.280 -8.446 -14.854) 17.090 6.803 ( 2.670 1.831 11.070) 11.534 6.996 ( -2.453 3.453 15.675) 16.238 7.586 ( 0.968 3.715 -0.327) 3.853 7.633 ( -2.044 0.176 -1.917) 2.808 7.894 ( 0.365 -1.839 1.599) 2.464 7.951 ( -0.700 0.402 2.707) 2.825 8.338 ( 2.382 3.985 -1.914) 5.022 8.489 ( -0.721 -4.159 -3.017) 5.188 8.765 ( -0.558 2.677 1.657) 3.198 8.805 ( 1.140 -1.251 -2.031) 2.643 9.211 ( -2.329 1.020 -4.806) 5.437 9.228 ( 1.003 -0.065 -3.980) 4.105 11.392 ( -0.157 -0.158 0.061) 0.231 11.393 ( 0.157 -0.269 -0.021) 0.312 12.118 ( 0.010 1.858 1.464) 2.366 12.136 ( 0.024 0.153 -0.022) 0.156 14.121 ( 0.012 -0.322 0.526) 0.617 14.133 ( -0.002 -1.562 -0.604) 1.675 14.530 ( 0.086 -0.191 0.122) 0.243 14.533 ( -0.073 -0.402 -0.059) 0.413 14.972 ( 0.000 0.936 0.211) 0.960 14.990 ( -0.011 -0.922 -1.445) 1.714 15.157 ( 0.014 1.258 0.856) 1.521 15.179 ( -0.078 -0.838 -1.121) 1.402 17.457 ( 0.222 0.000 0.009) 0.222 17.465 ( -0.241 -0.784 -0.705) 1.081 17.827 ( 0.166 2.118 1.505) 2.604 17.842 ( -0.136 0.605 0.184) 0.647 22.597 ( 0.051 -0.670 -0.174) 0.694 22.600 ( -0.067 -0.695 -0.154) 0.715 22.928 ( -0.032 1.080 0.031) 1.081 22.932 ( 0.039 0.628 -0.408) 0.749 24.744 ( 0.005 0.093 0.055) 0.108 24.746 ( -0.002 -0.057 -0.082) 0.100 24.873 ( -0.004 0.081 -0.005) 0.081 24.874 ( 0.004 0.057 -0.024) 0.062 26.443 ( 0.078 0.487 -0.464) 0.677 26.452 ( -0.086 -0.471 -1.245) 1.334 26.659 ( 0.098 -0.307 1.063) 1.111 26.660 ( -0.086 -0.378 1.091) 1.157 39.719 ( 0.007 -1.108 0.073) 1.111 39.723 ( -0.001 -1.551 -0.260) 1.573 40.230 ( -0.226 1.350 -0.435) 1.437 40.236 ( 0.210 1.007 -0.702) 1.246 42.964 ( -0.137 0.118 -0.104) 0.209 42.967 ( 0.137 -0.106 -0.302) 0.348 43.287 ( -0.102 0.130 0.096) 0.191 43.290 ( 0.116 0.043 0.095) 0.155 48.790 ( -0.013 1.166 4.236) 4.393 48.814 ( 0.067 -1.384 1.857) 2.317 49.142 ( -0.076 1.295 5.938) 6.078 49.168 ( 0.110 -1.289 6.127) 6.262 49.596 ( 0.213 6.940 -8.732) 11.156 49.681 ( -0.282 -1.722 -14.421) 14.526 50.954 ( -0.071 -4.527 5.650) 7.241 50.986 ( 0.050 -7.688 2.554) 8.101 ======================= Grid point 159 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 12.279 -1.927 -11.977) 17.261 1.381 ( 5.134 -2.083 -1.613) 5.771 2.181 ( -5.049 4.730 11.232) 13.192 2.593 ( -2.113 5.697 -0.869) 6.139 2.653 ( 0.807 0.928 -6.243) 6.363 2.678 ( 6.675 4.121 -9.482) 12.306 2.770 ( -1.090 -4.215 -1.676) 4.665 2.779 ( -2.508 -2.874 3.254) 5.014 3.490 ( -16.522 5.474 1.517) 17.471 3.527 ( -15.219 2.263 -0.908) 15.413 3.875 ( -6.272 17.012 3.466) 18.460 3.958 ( -6.480 8.981 -4.610) 11.996 4.177 ( -3.488 22.346 1.883) 22.694 4.304 ( -1.197 22.710 -9.111) 24.499 4.689 ( -0.200 -17.533 0.334) 17.538 4.730 ( 0.069 -5.873 -1.197) 5.994 4.789 ( -6.192 -7.709 10.836) 14.669 5.023 ( -2.312 -14.483 -1.990) 14.801 5.150 ( 2.032 -5.774 0.004) 6.121 5.182 ( 2.066 -4.122 -1.802) 4.951 5.223 ( 2.192 -4.559 3.272) 6.024 5.309 ( -3.841 -1.413 -2.409) 4.749 5.429 ( 13.622 -0.261 11.589) 17.886 5.628 ( 7.853 -1.532 -6.519) 10.320 5.858 ( -4.089 5.347 7.567) 10.128 6.036 ( -6.452 -7.953 7.879) 12.921 6.304 ( -6.660 4.420 -11.180) 13.744 6.439 ( -7.690 -7.718 -14.112) 17.828 6.808 ( -1.214 1.720 4.416) 4.893 6.874 ( -9.302 3.046 22.690) 24.711 7.542 ( -1.955 2.631 -1.188) 3.487 7.630 ( -0.603 1.215 -6.147) 6.295 7.780 ( -7.755 0.210 0.571) 7.779 7.860 ( -5.350 -0.914 -0.809) 5.488 8.345 ( -1.896 3.560 -2.027) 4.514 8.420 ( -3.813 1.660 -1.205) 4.329 8.756 ( 0.894 -1.321 5.539) 5.764 8.862 ( 4.325 -5.537 2.036) 7.315 9.290 ( 6.035 1.064 -0.782) 6.178 9.393 ( 10.655 -0.497 -9.496) 14.281 11.416 ( 2.594 0.134 0.510) 2.647 11.427 ( 2.921 0.077 -0.327) 2.940 12.126 ( 0.737 1.868 1.631) 2.587 12.148 ( 1.131 -0.191 -0.232) 1.170 14.140 ( 1.902 -0.105 0.451) 1.957 14.153 ( 1.938 -1.365 -0.717) 2.476 14.515 ( -1.459 -0.289 0.381) 1.536 14.521 ( -1.143 -0.283 -0.310) 1.218 14.956 ( -1.513 0.878 0.219) 1.763 14.974 ( -1.566 -0.908 -1.376) 2.274 15.158 ( 0.004 1.231 0.808) 1.473 15.179 ( 0.060 -0.856 -1.286) 1.546 17.459 ( -0.196 -0.252 -0.673) 0.745 17.461 ( 0.242 -0.411 0.066) 0.481 17.820 ( -0.602 1.690 2.055) 2.727 17.843 ( 0.109 0.995 -0.038) 1.002 22.614 ( 1.492 -0.503 -0.220) 1.590 22.615 ( 1.388 -0.561 0.011) 1.497 22.917 ( -0.796 0.893 0.249) 1.222 22.928 ( -0.416 0.839 -0.622) 1.125 24.744 ( -0.040 0.100 0.058) 0.122 24.745 ( -0.033 -0.024 -0.079) 0.089 24.872 ( -0.088 0.056 -0.000) 0.105 24.873 ( -0.073 0.039 -0.029) 0.088 26.449 ( 0.584 0.357 -0.408) 0.797 26.455 ( 0.359 -0.219 -1.122) 1.198 26.646 ( -1.230 -0.421 1.187) 1.760 26.649 ( -1.034 -0.467 0.680) 1.323 39.731 ( 1.163 -1.020 0.235) 1.565 39.738 ( 1.464 -1.373 -0.422) 2.051 40.217 ( -1.125 1.240 -0.084) 1.676 40.237 ( -0.324 1.176 -1.412) 1.866 42.967 ( 0.407 0.280 -0.044) 0.496 42.974 ( 0.557 -0.272 -0.279) 0.680 43.284 ( -0.181 0.282 0.155) 0.369 43.291 ( -0.006 -0.171 -0.038) 0.176 48.812 ( 2.197 1.567 5.073) 5.747 48.844 ( 2.741 -1.556 2.341) 3.926 49.109 ( -1.499 0.092 5.381) 5.586 49.202 ( 1.454 -0.239 1.749) 2.287 49.512 ( -6.037 3.489 -2.008) 7.256 49.717 ( 1.983 2.076 -16.383) 16.632 50.850 ( -9.880 -5.800 7.463) 13.673 50.920 ( -6.842 -7.622 0.731) 10.269 ======================= Grid point 160 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 8.823 -1.455 4.376) 9.955 1.601 ( 12.671 -1.684 -6.603) 14.387 2.174 ( 4.141 5.451 17.279) 18.585 2.523 ( -5.227 7.029 1.826) 8.948 2.587 ( -6.567 2.145 -0.611) 6.936 2.651 ( -7.587 -2.348 -0.936) 7.997 2.734 ( -5.418 -1.200 2.211) 5.974 2.830 ( -17.293 2.217 -11.593) 20.937 2.923 ( -31.712 -3.101 -0.822) 31.874 3.016 ( -13.450 -1.497 -6.936) 15.207 3.769 ( -0.711 6.393 2.263) 6.819 3.934 ( -0.139 10.357 -6.803) 12.392 4.152 ( 0.401 28.072 4.061) 28.367 4.321 ( 1.661 25.820 -6.455) 26.667 4.623 ( -7.875 -7.888 10.946) 15.622 4.691 ( -1.228 -3.488 -0.149) 3.701 4.733 ( -0.140 -8.782 -0.749) 8.816 4.947 ( -5.240 -13.944 -5.383) 15.839 5.184 ( 1.321 -3.567 2.152) 4.370 5.201 ( -1.311 1.421 2.230) 2.951 5.265 ( 3.141 -4.232 -0.650) 5.310 5.288 ( 1.291 -6.381 1.858) 6.771 5.637 ( -4.613 -2.227 -0.382) 5.137 5.646 ( 4.877 -1.528 2.142) 5.542 5.790 ( -5.067 2.337 4.115) 6.933 5.872 ( -6.461 -4.823 8.640) 11.818 6.131 ( -9.561 2.382 -9.151) 13.447 6.277 ( -6.350 -9.174 -13.851) 17.786 6.698 ( -5.186 2.271 20.700) 21.460 6.790 ( -0.836 1.685 -2.741) 3.325 7.563 ( 3.570 2.832 -2.914) 5.409 7.600 ( -0.429 1.141 -5.511) 5.644 7.711 ( 0.004 -0.249 -0.906) 0.940 7.781 ( -2.301 0.178 -0.973) 2.504 8.268 ( -4.576 1.701 -2.560) 5.512 8.391 ( 0.443 5.749 0.439) 5.783 8.811 ( 3.888 -4.071 9.022) 10.634 8.955 ( 4.477 -8.619 3.478) 10.316 9.345 ( -1.437 1.058 3.267) 3.723 9.515 ( 0.223 -3.464 -11.993) 12.486 11.487 ( 4.033 0.828 1.057) 4.251 11.501 ( 4.077 0.236 -0.241) 4.091 12.144 ( 0.932 1.989 2.058) 3.010 12.177 ( 1.531 -1.075 -0.752) 2.016 14.197 ( 3.616 0.368 0.107) 3.636 14.210 ( 3.555 -0.721 -0.970) 3.754 14.476 ( -2.210 -0.264 0.709) 2.336 14.488 ( -2.000 -0.233 -0.579) 2.095 14.912 ( -2.766 0.672 0.262) 2.859 14.928 ( -2.871 -0.743 -1.150) 3.181 15.157 ( -0.060 1.324 0.559) 1.438 15.180 ( 0.093 -1.017 -1.795) 2.065 17.461 ( 0.458 0.198 -0.506) 0.711 17.469 ( 0.661 -0.641 0.085) 0.925 17.810 ( -0.378 1.720 2.756) 3.271 17.843 ( -0.123 0.934 0.095) 0.947 22.646 ( 1.492 -0.059 0.281) 1.519 22.650 ( 1.756 -0.388 -0.161) 1.805 22.906 ( -0.035 0.888 0.401) 0.975 22.922 ( 0.004 0.961 -0.889) 1.309 24.743 ( -0.059 0.116 0.066) 0.146 24.745 ( -0.033 0.060 -0.058) 0.089 24.869 ( -0.150 -0.003 0.008) 0.150 24.871 ( -0.133 -0.014 -0.031) 0.138 26.467 ( 1.044 0.178 -0.459) 1.154 26.469 ( 1.135 0.083 -0.643) 1.307 26.614 ( -1.765 -0.344 0.912) 2.016 26.622 ( -1.574 -0.834 0.199) 1.792 39.766 ( 2.346 -0.712 0.544) 2.512 39.781 ( 2.692 -0.904 -0.659) 2.916 40.180 ( -2.627 1.317 -0.019) 2.939 40.216 ( -1.956 1.220 -2.680) 3.536 42.981 ( 0.990 0.317 0.001) 1.039 42.989 ( 0.947 -0.311 -0.169) 1.011 43.281 ( -0.035 0.355 0.115) 0.375 43.291 ( -0.031 -0.386 -0.130) 0.409 48.864 ( 2.000 2.355 7.453) 8.068 48.920 ( 4.737 -1.709 3.555) 6.165 49.112 ( 2.446 -0.196 0.651) 2.539 49.190 ( -3.068 -0.255 -5.935) 6.686 49.420 ( -1.745 2.191 11.610) 11.943 49.749 ( 1.481 4.888 -17.382) 18.117 50.566 ( -17.846 -7.944 11.345) 22.589 50.716 ( -12.796 -9.318 -3.245) 16.159 ======================= Grid point 161 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -27.735 1.389 11.167) 29.931 1.830 ( -17.980 -2.789 7.751) 19.778 1.845 ( -25.649 2.828 -13.765) 29.246 2.004 ( -16.775 -0.016 -7.236) 18.269 2.316 ( -2.183 6.413 2.501) 7.221 2.409 ( -8.376 3.873 -2.383) 9.531 2.546 ( 6.471 -1.561 13.134) 14.725 2.682 ( -0.484 -5.272 1.175) 5.423 2.778 ( 1.059 -0.705 8.494) 8.588 3.079 ( 1.936 0.198 2.237) 2.965 3.820 ( 4.434 6.290 -4.134) 8.736 3.931 ( 0.023 8.035 -4.557) 9.238 4.164 ( 1.080 22.262 0.379) 22.292 4.342 ( 0.239 22.626 -3.769) 22.939 4.504 ( -3.023 4.906 2.426) 6.253 4.643 ( -3.949 -0.040 -1.261) 4.146 4.730 ( -0.165 -10.234 -1.433) 10.335 4.830 ( -5.122 -12.264 -8.163) 15.597 5.156 ( -2.736 3.139 8.183) 9.182 5.216 ( 2.055 -1.841 3.157) 4.193 5.279 ( -1.553 -3.788 6.706) 7.857 5.350 ( 3.578 -1.860 -5.101) 6.503 5.540 ( -5.499 -0.796 -3.526) 6.581 5.597 ( -3.776 -6.957 -4.647) 9.179 5.725 ( -0.643 0.150 7.679) 7.707 5.822 ( 0.100 -3.546 2.728) 4.475 5.966 ( -6.633 -1.380 -1.376) 6.913 6.161 ( -5.518 -11.534 -5.330) 13.853 6.689 ( 3.181 2.281 5.772) 6.975 6.770 ( -1.419 2.304 -7.181) 7.674 7.615 ( 2.454 1.331 -0.378) 2.817 7.677 ( 5.170 2.477 -1.025) 5.824 7.726 ( 0.430 0.108 -1.813) 1.866 7.763 ( 0.859 0.788 -0.134) 1.173 8.188 ( -2.769 0.847 -2.116) 3.586 8.416 ( 1.229 3.959 -5.354) 6.772 8.886 ( 3.074 -3.290 9.305) 10.337 9.022 ( 1.584 -8.098 3.097) 8.814 9.268 ( -3.855 -1.844 6.879) 8.098 9.411 ( -9.039 -5.260 -8.430) 13.433 11.564 ( 3.162 1.146 1.880) 3.853 11.580 ( 3.354 -0.298 0.231) 3.375 12.159 ( 0.493 2.176 2.416) 3.289 12.203 ( 0.921 -1.938 -1.372) 2.547 14.279 ( 4.199 0.754 -0.651) 4.315 14.287 ( 3.662 0.227 -1.061) 3.819 14.432 ( -1.985 -0.254 0.751) 2.137 14.446 ( -2.112 -0.138 -0.740) 2.242 14.853 ( -2.714 0.294 0.364) 2.754 14.865 ( -3.019 -0.315 -0.630) 3.100 15.156 ( -0.083 1.448 0.163) 1.460 15.182 ( 0.091 -1.218 -2.347) 2.645 17.478 ( 1.028 0.295 -0.237) 1.095 17.486 ( 0.835 -0.582 0.012) 1.018 17.805 ( -0.165 2.166 3.092) 3.779 17.839 ( -0.271 0.463 0.527) 0.752 22.666 ( 0.492 0.388 0.744) 0.973 22.675 ( 0.677 -0.436 -0.130) 0.816 22.919 ( 1.124 1.056 0.102) 1.546 22.931 ( 0.717 0.964 -1.033) 1.584 24.742 ( -0.024 0.152 0.076) 0.172 24.744 ( -0.025 0.128 -0.023) 0.133 24.866 ( -0.128 -0.063 0.017) 0.144 24.868 ( -0.123 -0.079 -0.027) 0.148 26.491 ( 1.389 0.389 -0.197) 1.455 26.498 ( 1.523 -0.154 -0.302) 1.560 26.579 ( -1.586 -0.120 0.344) 1.628 26.590 ( -1.506 -1.165 -0.335) 1.933 39.823 ( 3.091 -0.278 0.947) 3.245 39.842 ( 3.006 -0.327 -0.559) 3.075 40.116 ( -3.197 1.399 -0.889) 3.601 40.156 ( -3.721 1.268 -3.813) 5.476 43.003 ( 1.042 0.221 -0.012) 1.065 43.009 ( 0.870 -0.221 -0.133) 0.907 43.282 ( 0.136 0.275 0.061) 0.313 43.290 ( -0.028 -0.439 -0.200) 0.483 48.878 ( 0.044 1.531 6.752) 6.923 48.971 ( -2.251 0.043 -0.853) 2.408 49.175 ( 5.633 -0.451 1.922) 5.969 49.209 ( 5.298 -0.701 -0.951) 5.429 49.440 ( 3.391 3.185 15.090) 15.791 49.794 ( 3.371 10.105 -16.222) 19.407 50.158 ( -21.228 -11.341 17.262) 29.618 50.435 ( -13.780 -14.355 -9.370) 21.994 =================== 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 3/23520 10.0 26.916 38.473 45.983 0.000 -10.276 0.000 3/23520 20.0 22.099 25.616 23.619 0.000 -2.156 0.000 3/23520 30.0 16.469 15.841 14.663 0.000 -0.986 0.000 3/23520 40.0 12.295 11.131 10.383 0.000 -0.612 0.000 3/23520 50.0 9.551 8.557 7.971 0.000 -0.436 0.000 3/23520 60.0 7.725 6.959 6.478 0.000 -0.335 0.000 3/23520 70.0 6.457 5.873 5.481 0.000 -0.271 0.000 3/23520 80.0 5.538 5.084 4.771 0.000 -0.227 0.000 3/23520 90.0 4.847 4.485 4.237 0.000 -0.195 0.000 3/23520 100.0 4.310 4.013 3.819 0.000 -0.171 0.000 3/23520 110.0 3.881 3.631 3.481 0.000 -0.153 0.000 3/23520 120.0 3.532 3.316 3.200 0.000 -0.138 0.000 3/23520 130.0 3.241 3.051 2.963 0.000 -0.125 0.000 3/23520 140.0 2.996 2.826 2.760 0.000 -0.115 0.000 3/23520 150.0 2.785 2.631 2.583 0.000 -0.106 0.000 3/23520 160.0 2.603 2.462 2.427 0.000 -0.099 0.000 3/23520 170.0 2.444 2.313 2.290 0.000 -0.093 0.000 3/23520 180.0 2.303 2.181 2.167 0.000 -0.087 0.000 3/23520 190.0 2.178 2.064 2.057 0.000 -0.082 0.000 3/23520 200.0 2.066 1.958 1.958 0.000 -0.078 0.000 3/23520 210.0 1.965 1.864 1.867 0.000 -0.074 0.000 3/23520 220.0 1.874 1.778 1.785 0.000 -0.070 0.000 3/23520 230.0 1.791 1.699 1.710 0.000 -0.067 0.000 3/23520 240.0 1.715 1.628 1.641 0.000 -0.064 0.000 3/23520 250.0 1.646 1.563 1.578 0.000 -0.061 0.000 3/23520 260.0 1.582 1.503 1.519 0.000 -0.059 0.000 3/23520 270.0 1.523 1.448 1.465 0.000 -0.056 0.000 3/23520 280.0 1.468 1.397 1.415 0.000 -0.054 0.000 3/23520 290.0 1.418 1.350 1.368 0.000 -0.052 0.000 3/23520 300.0 1.371 1.306 1.325 0.000 -0.050 0.000 3/23520 310.0 1.327 1.265 1.284 0.000 -0.049 0.000 3/23520 320.0 1.286 1.228 1.246 0.000 -0.047 0.000 3/23520 330.0 1.247 1.192 1.210 0.000 -0.046 0.000 3/23520 340.0 1.211 1.159 1.177 0.000 -0.044 0.000 3/23520 350.0 1.177 1.129 1.145 0.000 -0.043 0.000 3/23520 360.0 1.146 1.100 1.115 0.000 -0.042 0.000 3/23520 370.0 1.116 1.073 1.087 0.000 -0.041 0.000 3/23520 380.0 1.087 1.047 1.061 0.000 -0.040 0.000 3/23520 390.0 1.061 1.023 1.036 0.000 -0.039 0.000 3/23520 400.0 1.035 1.001 1.012 0.000 -0.038 0.000 3/23520 410.0 1.011 0.979 0.990 0.000 -0.037 0.000 3/23520 420.0 0.989 0.959 0.969 0.000 -0.036 0.000 3/23520 430.0 0.967 0.940 0.948 0.000 -0.035 0.000 3/23520 440.0 0.946 0.922 0.929 0.000 -0.034 0.000 3/23520 450.0 0.927 0.905 0.911 0.000 -0.033 0.000 3/23520 460.0 0.908 0.888 0.893 0.000 -0.033 0.000 3/23520 470.0 0.890 0.873 0.877 0.000 -0.032 0.000 3/23520 480.0 0.873 0.858 0.861 0.000 -0.031 0.000 3/23520 490.0 0.856 0.844 0.845 0.000 -0.031 0.000 3/23520 500.0 0.841 0.830 0.831 0.000 -0.030 0.000 3/23520 510.0 0.826 0.818 0.816 0.000 -0.029 0.000 3/23520 520.0 0.811 0.805 0.803 0.000 -0.029 0.000 3/23520 530.0 0.797 0.793 0.790 0.000 -0.028 0.000 3/23520 540.0 0.784 0.782 0.777 0.000 -0.028 0.000 3/23520 550.0 0.771 0.771 0.765 0.000 -0.027 0.000 3/23520 560.0 0.759 0.760 0.754 0.000 -0.027 0.000 3/23520 570.0 0.747 0.750 0.742 0.000 -0.026 0.000 3/23520 580.0 0.735 0.740 0.732 0.000 -0.026 0.000 3/23520 590.0 0.724 0.731 0.721 0.000 -0.026 0.000 3/23520 600.0 0.713 0.722 0.711 0.000 -0.025 0.000 3/23520 610.0 0.703 0.713 0.701 0.000 -0.025 0.000 3/23520 620.0 0.693 0.704 0.692 0.000 -0.024 0.000 3/23520 630.0 0.683 0.696 0.683 0.000 -0.024 0.000 3/23520 640.0 0.674 0.688 0.674 0.000 -0.024 0.000 3/23520 650.0 0.664 0.680 0.665 0.000 -0.023 0.000 3/23520 660.0 0.655 0.672 0.657 0.000 -0.023 0.000 3/23520 670.0 0.647 0.665 0.649 0.000 -0.023 0.000 3/23520 680.0 0.638 0.658 0.641 0.000 -0.022 0.000 3/23520 690.0 0.630 0.651 0.633 0.000 -0.022 0.000 3/23520 700.0 0.622 0.644 0.625 0.000 -0.022 0.000 3/23520 710.0 0.615 0.637 0.618 0.000 -0.021 0.000 3/23520 720.0 0.607 0.631 0.611 0.000 -0.021 0.000 3/23520 730.0 0.600 0.624 0.604 0.000 -0.021 0.000 3/23520 740.0 0.593 0.618 0.597 0.000 -0.020 0.000 3/23520 750.0 0.586 0.612 0.591 0.000 -0.020 0.000 3/23520 760.0 0.579 0.606 0.584 0.000 -0.020 0.000 3/23520 770.0 0.572 0.600 0.578 0.000 -0.020 0.000 3/23520 780.0 0.566 0.595 0.572 0.000 -0.019 0.000 3/23520 790.0 0.559 0.589 0.566 0.000 -0.019 0.000 3/23520 800.0 0.553 0.584 0.560 0.000 -0.019 0.000 3/23520 810.0 0.547 0.578 0.554 0.000 -0.019 0.000 3/23520 820.0 0.541 0.573 0.548 0.000 -0.019 0.000 3/23520 830.0 0.536 0.568 0.543 0.000 -0.018 0.000 3/23520 840.0 0.530 0.563 0.537 0.000 -0.018 0.000 3/23520 850.0 0.524 0.558 0.532 0.000 -0.018 0.000 3/23520 860.0 0.519 0.553 0.527 0.000 -0.018 0.000 3/23520 870.0 0.514 0.548 0.522 0.000 -0.018 0.000 3/23520 880.0 0.509 0.544 0.517 0.000 -0.017 0.000 3/23520 890.0 0.504 0.539 0.512 0.000 -0.017 0.000 3/23520 900.0 0.499 0.534 0.507 0.000 -0.017 0.000 3/23520 910.0 0.494 0.530 0.502 0.000 -0.017 0.000 3/23520 920.0 0.489 0.526 0.498 0.000 -0.017 0.000 3/23520 930.0 0.484 0.521 0.493 0.000 -0.016 0.000 3/23520 940.0 0.480 0.517 0.489 0.000 -0.016 0.000 3/23520 950.0 0.475 0.513 0.485 0.000 -0.016 0.000 3/23520 960.0 0.471 0.509 0.480 0.000 -0.016 0.000 3/23520 970.0 0.466 0.505 0.476 0.000 -0.016 0.000 3/23520 980.0 0.462 0.501 0.472 0.000 -0.016 0.000 3/23520 990.0 0.458 0.497 0.468 0.000 -0.015 0.000 3/23520 1000.0 0.454 0.493 0.464 0.000 -0.015 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:25:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|