----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:13:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.981738350007676 -5.015115650000000 0.000000000000000 b 4.981738350007676 5.015115650000000 0.000000000000000 c -4.647199581888785 0.000000000000000 8.088200207759314 Atomic positions (fractional): *1 Li 0.38325157701729 0.61674842298271 0.75000000000000 6.941 2 Li 0.61674842298271 0.38325157701729 0.25000000000000 6.941 *3 Li 0.16318119683812 0.83681880316188 0.25000000000000 6.941 4 Li 0.83681880316188 0.16318119683812 0.75000000000000 6.941 *5 Al 0.04210126061547 0.35250914117979 0.15146932506824 26.982 6 Al 0.95789873938453 0.64749085882021 0.84853067493176 26.982 7 Al 0.64749085882021 0.95789873938453 0.34853067493176 26.982 8 Al 0.35250914117979 0.04210126061547 0.65146932506824 26.982 *9 B 0.24083592255023 0.22399203142455 0.40464927232771 10.811 10 B 0.77600796857545 0.75916407744977 0.09535072767229 10.811 *11 B 0.73248685309906 0.39739937007220 0.52704850946002 10.811 12 B 0.60260062992781 0.26751314690094 0.97295149053998 10.811 13 B 0.39739937007220 0.73248685309906 0.02704850946002 10.811 14 B 0.26751314690094 0.60260062992781 0.47295149053998 10.811 15 B 0.75916407744977 0.77600796857545 0.59535072767229 10.811 16 B 0.22399203142455 0.24083592255023 0.90464927232771 10.811 *17 O 0.34229332120653 0.77881022688614 0.60978784944369 15.999 *18 O 0.92507525885537 0.70247066422737 0.03477343567974 15.999 19 O 0.29752933577263 0.07492474114463 0.46522656432026 15.999 *20 O 0.70738907944995 0.57072675310585 0.48272314839481 15.999 *21 O 0.82333421478334 0.41189844929643 0.68566054715241 15.999 22 O 0.41189844929643 0.82333421478334 0.18566054715241 15.999 23 O 0.17666578521666 0.58810155070357 0.31433945284759 15.999 24 O 0.70247066422737 0.92507525885537 0.53477343567974 15.999 *25 O 0.13843311036470 0.17478243658780 0.24094406340224 15.999 26 O 0.58810155070357 0.17666578521666 0.81433945284759 15.999 27 O 0.77881022688614 0.34229332120653 0.10978784944369 15.999 28 O 0.82521756341220 0.86156688963530 0.25905593659776 15.999 29 O 0.17478243658780 0.13843311036470 0.74094406340224 15.999 30 O 0.42927324689415 0.29261092055005 0.01727685160519 15.999 31 O 0.07492474114463 0.29752933577263 0.96522656432026 15.999 32 O 0.22118977311386 0.65770667879347 0.89021215055631 15.999 33 O 0.57072675310585 0.70738907944995 0.98272314839481 15.999 34 O 0.86156688963530 0.82521756341220 0.75905593659776 15.999 35 O 0.29261092055005 0.42927324689415 0.51727685160519 15.999 36 O 0.65770667879347 0.22118977311386 0.39021215055631 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.963476700015352 0.000000000000000 0.000000000000000 b 0.000000000000000 10.030231300000001 0.000000000000000 c -4.647199581888785 0.000000000000000 8.088200207759314 Atomic positions (fractional): *1 Li 0.50000000000000 0.11674842298271 0.75000000000000 6.941 > 1 2 Li 0.50000000000000 0.88325157701729 0.25000000000000 6.941 > 2 *3 Li 0.50000000000000 0.33681880316188 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.66318119683812 0.75000000000000 6.941 > 4 5 Li 0.00000000000000 0.61674842298271 0.75000000000000 6.941 > 1 6 Li 0.00000000000000 0.38325157701729 0.25000000000000 6.941 > 2 7 Li 0.00000000000000 0.83681880316188 0.25000000000000 6.941 > 3 8 Li 0.00000000000000 0.16318119683812 0.75000000000000 6.941 > 4 *9 Al 0.19730520089763 0.15520394028216 0.15146932506824 26.982 > 5 10 Al 0.80269479910237 0.84479605971784 0.84853067493176 26.982 > 6 11 Al 0.80269479910237 0.15520394028216 0.34853067493176 26.982 > 7 12 Al 0.19730520089763 0.84479605971784 0.65146932506824 26.982 > 8 13 Al 0.69730520089763 0.65520394028216 0.15146932506824 26.982 > 5 14 Al 0.30269479910237 0.34479605971784 0.84853067493176 26.982 > 6 15 Al 0.30269479910237 0.65520394028216 0.34853067493176 26.982 > 7 16 Al 0.69730520089763 0.34479605971784 0.65146932506824 26.982 > 8 *17 B 0.23241397698739 0.99157805443716 0.40464927232771 10.811 > 9 18 B 0.76758602301261 0.99157805443716 0.09535072767229 10.811 > 10 *19 B 0.56494311158563 0.83245625848657 0.52704850946002 10.811 > 11 20 B 0.43505688841437 0.83245625848657 0.97295149053998 10.811 > 12 21 B 0.56494311158563 0.16754374151343 0.02704850946002 10.811 > 13 22 B 0.43505688841437 0.16754374151343 0.47295149053998 10.811 > 14 23 B 0.76758602301261 0.00842194556284 0.59535072767229 10.811 > 15 24 B 0.23241397698739 0.00842194556284 0.90464927232771 10.811 > 16 25 B 0.73241397698739 0.49157805443716 0.40464927232771 10.811 > 9 26 B 0.26758602301261 0.49157805443716 0.09535072767229 10.811 > 10 27 B 0.06494311158563 0.33245625848657 0.52704850946002 10.811 > 11 28 B 0.93505688841437 0.33245625848657 0.97295149053998 10.811 > 12 29 B 0.06494311158563 0.66754374151343 0.02704850946002 10.811 > 13 30 B 0.93505688841437 0.66754374151343 0.47295149053998 10.811 > 14 31 B 0.26758602301261 0.50842194556284 0.59535072767229 10.811 > 15 32 B 0.73241397698739 0.50842194556284 0.90464927232771 10.811 > 16 *33 O 0.56055177404634 0.21825845283980 0.60978784944369 15.999 > 17 *34 O 0.81377296154137 0.88869770268600 0.03477343567974 15.999 > 18 35 O 0.18622703845863 0.88869770268600 0.46522656432026 15.999 > 19 *36 O 0.63905791627790 0.93166883682795 0.48272314839481 15.999 > 20 *37 O 0.61761633203988 0.79428211725654 0.68566054715241 15.999 > 21 38 O 0.61761633203988 0.20571788274346 0.18566054715241 15.999 > 22 39 O 0.38238366796012 0.20571788274346 0.31433945284759 15.999 > 23 40 O 0.81377296154137 0.11130229731400 0.53477343567974 15.999 > 24 *41 O 0.15660777347625 0.01817466311155 0.24094406340224 15.999 > 25 42 O 0.38238366796012 0.79428211725654 0.81433945284759 15.999 > 26 43 O 0.56055177404634 0.78174154716020 0.10978784944369 15.999 > 27 44 O 0.84339222652375 0.01817466311155 0.25905593659776 15.999 > 28 45 O 0.15660777347625 0.98182533688845 0.74094406340224 15.999 > 29 46 O 0.36094208372210 0.93166883682795 0.01727685160519 15.999 > 30 47 O 0.18622703845863 0.11130229731400 0.96522656432026 15.999 > 31 48 O 0.43944822595366 0.21825845283980 0.89021215055631 15.999 > 32 49 O 0.63905791627790 0.06833116317205 0.98272314839481 15.999 > 33 50 O 0.84339222652375 0.98182533688845 0.75905593659776 15.999 > 34 51 O 0.36094208372210 0.06833116317205 0.51727685160519 15.999 > 35 52 O 0.43944822595366 0.78174154716020 0.39021215055631 15.999 > 36 53 O 0.06055177404634 0.71825845283980 0.60978784944369 15.999 > 17 54 O 0.31377296154137 0.38869770268600 0.03477343567974 15.999 > 18 55 O 0.68622703845863 0.38869770268600 0.46522656432026 15.999 > 19 56 O 0.13905791627790 0.43166883682795 0.48272314839481 15.999 > 20 57 O 0.11761633203989 0.29428211725654 0.68566054715241 15.999 > 21 58 O 0.11761633203989 0.70571788274346 0.18566054715241 15.999 > 22 59 O 0.88238366796012 0.70571788274346 0.31433945284759 15.999 > 23 60 O 0.31377296154137 0.61130229731400 0.53477343567974 15.999 > 24 61 O 0.65660777347625 0.51817466311155 0.24094406340224 15.999 > 25 62 O 0.88238366796012 0.29428211725654 0.81433945284759 15.999 > 26 63 O 0.06055177404634 0.28174154716020 0.10978784944369 15.999 > 27 64 O 0.34339222652375 0.51817466311155 0.25905593659776 15.999 > 28 65 O 0.65660777347625 0.48182533688845 0.74094406340224 15.999 > 29 66 O 0.86094208372210 0.43166883682795 0.01727685160519 15.999 > 30 67 O 0.68622703845863 0.61130229731400 0.96522656432026 15.999 > 31 68 O 0.93944822595366 0.71825845283980 0.89021215055631 15.999 > 32 69 O 0.13905791627790 0.56833116317205 0.98272314839481 15.999 > 33 70 O 0.34339222652375 0.48182533688845 0.75905593659776 15.999 > 34 71 O 0.86094208372210 0.56833116317205 0.51727685160519 15.999 > 35 72 O 0.93944822595366 0.28174154716020 0.39021215055631 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.963476700015352 0.000000000000000 0.000000000000000 b 0.000000000000000 10.030231300000001 0.000000000000000 c -9.294399163777570 0.000000000000000 16.176400415518629 Atomic positions (fractional): *1 Li 0.50000000000000 0.11674842298271 0.37500000000000 6.941 > 1 2 Li 0.50000000000000 0.11674842298271 0.87500000000000 6.941 > 1 3 Li 0.50000000000000 0.88325157701729 0.12500000000000 6.941 > 2 4 Li 0.50000000000000 0.88325157701729 0.62500000000000 6.941 > 2 *5 Li 0.50000000000000 0.33681880316188 0.12500000000000 6.941 > 3 6 Li 0.50000000000000 0.33681880316188 0.62500000000000 6.941 > 3 7 Li 0.50000000000000 0.66318119683812 0.37500000000000 6.941 > 4 8 Li 0.50000000000000 0.66318119683812 0.87500000000000 6.941 > 4 9 Li 0.00000000000000 0.61674842298271 0.37500000000000 6.941 > 1 10 Li 0.00000000000000 0.61674842298271 0.87500000000000 6.941 > 1 11 Li 0.00000000000000 0.38325157701729 0.12500000000000 6.941 > 2 12 Li 0.00000000000000 0.38325157701729 0.62500000000000 6.941 > 2 13 Li 0.00000000000000 0.83681880316188 0.12500000000000 6.941 > 3 14 Li 0.00000000000000 0.83681880316188 0.62500000000000 6.941 > 3 15 Li 0.00000000000000 0.16318119683812 0.37500000000000 6.941 > 4 16 Li 0.00000000000000 0.16318119683812 0.87500000000000 6.941 > 4 *17 Al 0.19730520089763 0.15520394028216 0.07573466253412 26.982 > 5 18 Al 0.19730520089763 0.15520394028216 0.57573466253412 26.982 > 5 19 Al 0.80269479910237 0.84479605971784 0.42426533746588 26.982 > 6 20 Al 0.80269479910237 0.84479605971784 0.92426533746588 26.982 > 6 21 Al 0.80269479910237 0.15520394028216 0.17426533746588 26.982 > 7 22 Al 0.80269479910237 0.15520394028216 0.67426533746588 26.982 > 7 23 Al 0.19730520089763 0.84479605971784 0.32573466253412 26.982 > 8 24 Al 0.19730520089763 0.84479605971784 0.82573466253412 26.982 > 8 25 Al 0.69730520089763 0.65520394028216 0.07573466253412 26.982 > 5 26 Al 0.69730520089763 0.65520394028216 0.57573466253412 26.982 > 5 27 Al 0.30269479910237 0.34479605971784 0.42426533746588 26.982 > 6 28 Al 0.30269479910237 0.34479605971784 0.92426533746588 26.982 > 6 29 Al 0.30269479910237 0.65520394028216 0.17426533746588 26.982 > 7 30 Al 0.30269479910237 0.65520394028216 0.67426533746588 26.982 > 7 31 Al 0.69730520089763 0.34479605971784 0.32573466253412 26.982 > 8 32 Al 0.69730520089763 0.34479605971784 0.82573466253412 26.982 > 8 *33 B 0.23241397698739 0.99157805443716 0.20232463616385 10.811 > 9 34 B 0.23241397698739 0.99157805443716 0.70232463616385 10.811 > 9 35 B 0.76758602301261 0.99157805443716 0.04767536383615 10.811 > 10 36 B 0.76758602301261 0.99157805443716 0.54767536383615 10.811 > 10 *37 B 0.56494311158563 0.83245625848657 0.26352425473001 10.811 > 11 38 B 0.56494311158563 0.83245625848657 0.76352425473001 10.811 > 11 39 B 0.43505688841437 0.83245625848657 0.48647574526999 10.811 > 12 40 B 0.43505688841437 0.83245625848657 0.98647574526999 10.811 > 12 41 B 0.56494311158563 0.16754374151343 0.01352425473001 10.811 > 13 42 B 0.56494311158563 0.16754374151343 0.51352425473001 10.811 > 13 43 B 0.43505688841437 0.16754374151343 0.23647574526999 10.811 > 14 44 B 0.43505688841437 0.16754374151343 0.73647574526999 10.811 > 14 45 B 0.76758602301261 0.00842194556284 0.29767536383615 10.811 > 15 46 B 0.76758602301261 0.00842194556284 0.79767536383615 10.811 > 15 47 B 0.23241397698739 0.00842194556284 0.45232463616385 10.811 > 16 48 B 0.23241397698739 0.00842194556284 0.95232463616385 10.811 > 16 49 B 0.73241397698739 0.49157805443716 0.20232463616385 10.811 > 9 50 B 0.73241397698739 0.49157805443716 0.70232463616385 10.811 > 9 51 B 0.26758602301261 0.49157805443716 0.04767536383615 10.811 > 10 52 B 0.26758602301261 0.49157805443716 0.54767536383615 10.811 > 10 53 B 0.06494311158563 0.33245625848657 0.26352425473001 10.811 > 11 54 B 0.06494311158563 0.33245625848657 0.76352425473001 10.811 > 11 55 B 0.93505688841437 0.33245625848657 0.48647574526999 10.811 > 12 56 B 0.93505688841437 0.33245625848657 0.98647574526999 10.811 > 12 57 B 0.06494311158563 0.66754374151343 0.01352425473001 10.811 > 13 58 B 0.06494311158563 0.66754374151343 0.51352425473001 10.811 > 13 59 B 0.93505688841437 0.66754374151343 0.23647574526999 10.811 > 14 60 B 0.93505688841437 0.66754374151343 0.73647574526999 10.811 > 14 61 B 0.26758602301261 0.50842194556284 0.29767536383615 10.811 > 15 62 B 0.26758602301261 0.50842194556284 0.79767536383615 10.811 > 15 63 B 0.73241397698739 0.50842194556284 0.45232463616385 10.811 > 16 64 B 0.73241397698739 0.50842194556284 0.95232463616385 10.811 > 16 *65 O 0.56055177404634 0.21825845283980 0.30489392472185 15.999 > 17 66 O 0.56055177404634 0.21825845283980 0.80489392472185 15.999 > 17 *67 O 0.81377296154137 0.88869770268600 0.01738671783987 15.999 > 18 68 O 0.81377296154137 0.88869770268600 0.51738671783987 15.999 > 18 69 O 0.18622703845863 0.88869770268600 0.23261328216013 15.999 > 19 70 O 0.18622703845863 0.88869770268600 0.73261328216013 15.999 > 19 *71 O 0.63905791627790 0.93166883682795 0.24136157419740 15.999 > 20 72 O 0.63905791627790 0.93166883682795 0.74136157419740 15.999 > 20 *73 O 0.61761633203988 0.79428211725654 0.34283027357621 15.999 > 21 74 O 0.61761633203988 0.79428211725654 0.84283027357621 15.999 > 21 75 O 0.61761633203988 0.20571788274346 0.09283027357621 15.999 > 22 76 O 0.61761633203988 0.20571788274346 0.59283027357621 15.999 > 22 77 O 0.38238366796012 0.20571788274346 0.15716972642379 15.999 > 23 78 O 0.38238366796012 0.20571788274346 0.65716972642379 15.999 > 23 79 O 0.81377296154137 0.11130229731400 0.26738671783987 15.999 > 24 80 O 0.81377296154137 0.11130229731400 0.76738671783987 15.999 > 24 *81 O 0.15660777347625 0.01817466311155 0.12047203170112 15.999 > 25 82 O 0.15660777347625 0.01817466311155 0.62047203170112 15.999 > 25 83 O 0.38238366796012 0.79428211725654 0.40716972642379 15.999 > 26 84 O 0.38238366796012 0.79428211725654 0.90716972642379 15.999 > 26 85 O 0.56055177404634 0.78174154716020 0.05489392472185 15.999 > 27 86 O 0.56055177404634 0.78174154716020 0.55489392472185 15.999 > 27 87 O 0.84339222652375 0.01817466311155 0.12952796829888 15.999 > 28 88 O 0.84339222652375 0.01817466311155 0.62952796829888 15.999 > 28 89 O 0.15660777347625 0.98182533688845 0.37047203170112 15.999 > 29 90 O 0.15660777347625 0.98182533688845 0.87047203170112 15.999 > 29 91 O 0.36094208372210 0.93166883682795 0.00863842580260 15.999 > 30 92 O 0.36094208372210 0.93166883682795 0.50863842580260 15.999 > 30 93 O 0.18622703845863 0.11130229731400 0.48261328216013 15.999 > 31 94 O 0.18622703845863 0.11130229731400 0.98261328216013 15.999 > 31 95 O 0.43944822595366 0.21825845283980 0.44510607527815 15.999 > 32 96 O 0.43944822595366 0.21825845283980 0.94510607527815 15.999 > 32 97 O 0.63905791627790 0.06833116317205 0.49136157419740 15.999 > 33 98 O 0.63905791627790 0.06833116317205 0.99136157419740 15.999 > 33 99 O 0.84339222652375 0.98182533688845 0.37952796829888 15.999 > 34 100 O 0.84339222652375 0.98182533688845 0.87952796829888 15.999 > 34 101 O 0.36094208372210 0.06833116317205 0.25863842580260 15.999 > 35 102 O 0.36094208372210 0.06833116317205 0.75863842580260 15.999 > 35 103 O 0.43944822595366 0.78174154716020 0.19510607527815 15.999 > 36 104 O 0.43944822595366 0.78174154716020 0.69510607527815 15.999 > 36 105 O 0.06055177404634 0.71825845283980 0.30489392472185 15.999 > 17 106 O 0.06055177404634 0.71825845283980 0.80489392472185 15.999 > 17 107 O 0.31377296154137 0.38869770268600 0.01738671783987 15.999 > 18 108 O 0.31377296154137 0.38869770268600 0.51738671783987 15.999 > 18 109 O 0.68622703845863 0.38869770268600 0.23261328216013 15.999 > 19 110 O 0.68622703845863 0.38869770268600 0.73261328216013 15.999 > 19 111 O 0.13905791627790 0.43166883682795 0.24136157419740 15.999 > 20 112 O 0.13905791627790 0.43166883682795 0.74136157419740 15.999 > 20 113 O 0.11761633203989 0.29428211725654 0.34283027357621 15.999 > 21 114 O 0.11761633203989 0.29428211725654 0.84283027357621 15.999 > 21 115 O 0.11761633203989 0.70571788274346 0.09283027357621 15.999 > 22 116 O 0.11761633203989 0.70571788274346 0.59283027357621 15.999 > 22 117 O 0.88238366796012 0.70571788274346 0.15716972642379 15.999 > 23 118 O 0.88238366796012 0.70571788274346 0.65716972642379 15.999 > 23 119 O 0.31377296154137 0.61130229731400 0.26738671783987 15.999 > 24 120 O 0.31377296154137 0.61130229731400 0.76738671783987 15.999 > 24 121 O 0.65660777347625 0.51817466311155 0.12047203170112 15.999 > 25 122 O 0.65660777347625 0.51817466311155 0.62047203170112 15.999 > 25 123 O 0.88238366796012 0.29428211725654 0.40716972642379 15.999 > 26 124 O 0.88238366796012 0.29428211725654 0.90716972642379 15.999 > 26 125 O 0.06055177404634 0.28174154716020 0.05489392472185 15.999 > 27 126 O 0.06055177404634 0.28174154716020 0.55489392472185 15.999 > 27 127 O 0.34339222652375 0.51817466311155 0.12952796829888 15.999 > 28 128 O 0.34339222652375 0.51817466311155 0.62952796829888 15.999 > 28 129 O 0.65660777347625 0.48182533688845 0.37047203170112 15.999 > 29 130 O 0.65660777347625 0.48182533688845 0.87047203170112 15.999 > 29 131 O 0.86094208372210 0.43166883682795 0.00863842580260 15.999 > 30 132 O 0.86094208372210 0.43166883682795 0.50863842580260 15.999 > 30 133 O 0.68622703845863 0.61130229731400 0.48261328216013 15.999 > 31 134 O 0.68622703845863 0.61130229731400 0.98261328216013 15.999 > 31 135 O 0.93944822595366 0.71825845283980 0.44510607527815 15.999 > 32 136 O 0.93944822595366 0.71825845283980 0.94510607527815 15.999 > 32 137 O 0.13905791627790 0.56833116317205 0.49136157419740 15.999 > 33 138 O 0.13905791627790 0.56833116317205 0.99136157419740 15.999 > 33 139 O 0.34339222652375 0.48182533688845 0.37952796829888 15.999 > 34 140 O 0.34339222652375 0.48182533688845 0.87952796829888 15.999 > 34 141 O 0.86094208372210 0.56833116317205 0.25863842580260 15.999 > 35 142 O 0.86094208372210 0.56833116317205 0.75863842580260 15.999 > 35 143 O 0.93944822595366 0.28174154716020 0.19510607527815 15.999 > 36 144 O 0.93944822595366 0.28174154716020 0.69510607527815 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3575727 0.0000000 0.0394450 0.0000000 2.4352829 0.0000000 0.0394449 0.0000000 2.5907814 -------------------------- Born effective charges -------------------------- 1 Li 0.9292497 -0.0000000 -0.1283017 -0.0000000 0.8727644 0.0000000 -0.1593754 0.0000000 1.2886652 2 Li 0.9292497 -0.0000000 -0.1283017 -0.0000000 0.8727644 0.0000000 -0.1593754 0.0000000 1.2886652 3 Li 1.1559065 -0.0000000 0.0909313 -0.0000000 1.1130323 0.0000000 0.0700148 0.0000000 1.0143259 4 Li 1.1559065 -0.0000000 0.0909313 -0.0000000 1.1130323 0.0000000 0.0700148 0.0000000 1.0143259 5 Al 2.4933104 -0.2008378 -0.1713757 -0.1995093 2.7026010 -0.1190906 0.1008849 -0.4171979 3.0083819 6 Al 2.4933104 -0.2008378 -0.1713757 -0.1995093 2.7026010 -0.1190906 0.1008849 -0.4171979 3.0083819 7 Al 2.4933104 0.2008378 -0.1713757 0.1995093 2.7026010 0.1190906 0.1008849 0.4171979 3.0083819 8 Al 2.4933104 0.2008378 -0.1713757 0.1995093 2.7026010 0.1190906 0.1008849 0.4171979 3.0083819 9 B 1.6361430 1.0181226 0.1710254 0.9874486 2.0686471 -0.2723737 0.0144892 -0.4195179 2.4648842 10 B 1.6361430 -1.0181226 0.1710254 -0.9874486 2.0686471 0.2723737 0.0144892 0.4195179 2.4648842 11 B 1.6296351 0.9144874 0.3900694 0.9583927 1.6994132 0.0270136 0.2762975 -0.0339550 2.6959227 12 B 1.6296351 -0.9144874 0.3900694 -0.9583927 1.6994132 -0.0270136 0.2762975 0.0339550 2.6959227 13 B 1.6296351 -0.9144874 0.3900694 -0.9583927 1.6994132 -0.0270136 0.2762975 0.0339550 2.6959227 14 B 1.6296351 0.9144874 0.3900694 0.9583927 1.6994132 0.0270136 0.2762975 -0.0339550 2.6959227 15 B 1.6361430 1.0181226 0.1710254 0.9874486 2.0686471 -0.2723737 0.0144892 -0.4195179 2.4648842 16 B 1.6361430 -1.0181226 0.1710254 -0.9874486 2.0686471 0.2723737 0.0144892 0.4195179 2.4648842 17 O -1.5311845 -0.5771404 -0.4777293 -0.5929405 -1.5232907 -0.4669911 -0.5033107 -0.4894161 -1.8527900 18 O -1.5005146 0.6596438 0.4724917 0.6122658 -1.7921790 -0.4587145 0.3734555 -0.4374043 -1.6938604 19 O -1.5005146 -0.6596438 0.4724917 -0.6122658 -1.7921790 0.4587145 0.3734555 0.4374043 -1.6938604 20 O -1.4871308 -0.9371449 -0.2708768 -0.9393751 -1.6215370 -0.2024722 -0.2272172 -0.1659097 -1.4050747 21 O -1.1572838 -0.2622144 -0.1706068 -0.2829302 -1.1491433 0.2157834 -0.0862856 0.2624024 -2.2874032 22 O -1.1572838 0.2622144 -0.1706068 0.2829302 -1.1491433 -0.2157834 -0.0862856 -0.2624024 -2.2874032 23 O -1.1572838 -0.2622144 -0.1706068 -0.2829302 -1.1491433 0.2157834 -0.0862856 0.2624024 -2.2874032 24 O -1.5005146 -0.6596438 0.4724917 -0.6122658 -1.7921790 0.4587145 0.3734555 0.4374043 -1.6938604 25 O -1.1255528 -0.3081675 0.0756874 -0.3040920 -1.3774097 0.4607660 0.0963667 0.4745470 -2.0815561 26 O -1.1572838 0.2622144 -0.1706068 0.2829302 -1.1491433 -0.2157834 -0.0862856 -0.2624024 -2.2874032 27 O -1.5311845 0.5771404 -0.4777293 0.5929405 -1.5232907 0.4669911 -0.5033107 0.4894161 -1.8527900 28 O -1.1255528 0.3081675 0.0756874 0.3040920 -1.3774097 -0.4607660 0.0963667 -0.4745470 -2.0815561 29 O -1.1255528 0.3081675 0.0756874 0.3040920 -1.3774097 -0.4607660 0.0963667 -0.4745470 -2.0815561 30 O -1.4871308 0.9371449 -0.2708768 0.9393751 -1.6215370 0.2024722 -0.2272172 0.1659097 -1.4050747 31 O -1.5005146 0.6596438 0.4724917 0.6122658 -1.7921790 -0.4587145 0.3734555 -0.4374043 -1.6938604 32 O -1.5311845 0.5771404 -0.4777293 0.5929405 -1.5232907 0.4669911 -0.5033107 0.4894161 -1.8527900 33 O -1.4871308 0.9371449 -0.2708768 0.9393751 -1.6215370 0.2024722 -0.2272172 0.1659097 -1.4050747 34 O -1.1255528 -0.3081675 0.0756874 -0.3040920 -1.3774097 0.4607660 0.0963667 0.4745470 -2.0815561 35 O -1.4871308 -0.9371449 -0.2708768 -0.9393751 -1.6215370 -0.2024722 -0.2272172 -0.1659097 -1.4050747 36 O -1.5311845 -0.5771404 -0.4777293 -0.5929405 -1.5232907 -0.4669911 -0.5033107 -0.4894161 -1.8527900 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 27900/27900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 276 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 276 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 26), data: (1288, 42) @ (42, 26) |-- (288, 276), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 26), data: (1288, 42) @ (42, 26) |-- (288, 276), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.022 Solver_block: 100 / 1120 - Time: 3.199 Solver_block: 200 / 1120 - Time: 2.777 Solver_block: 300 / 1120 - Time: 3.505 Solver_block: 400 / 1120 - Time: 2.943 Solver_block: 500 / 1120 - Time: 3.776 Solver_block: 600 / 1120 - Time: 2.731 Solver_block: 700 / 1120 - Time: 2.994 Solver_block: 800 / 1120 - Time: 2.671 Solver_block: 900 / 1120 - Time: 2.084 Solver_block: 1000 / 1120 - Time: 1.879 Solver_block: 1100 / 1120 - Time: 2.178 Solver_block: 1120 / 1120 - Time: 0.574 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 32.071 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 27900/27900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1304 / 1304 (1) 295 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 276 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1288 / 1288 (1) 276 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 198 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 8), data: (706, 18) @ (18, 8) |-- (206, 198), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 26), data: (1288, 42) @ (42, 26) |-- (288, 276), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 26), data: (1288, 42) @ (42, 26) |-- (288, 276), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 24), data: (1304, 43) @ (43, 24) |-- (304, 295), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), 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 13:15:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:15:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.981738350007676 -5.015115650000000 0.000000000000000 b 4.981738350007676 5.015115650000000 0.000000000000000 c -4.647199581888785 0.000000000000000 8.088200207759314 Atomic positions (fractional): 1 Li 0.38325157701729 0.61674842298271 0.75000000000000 6.941 2 Li 0.61674842298271 0.38325157701729 0.25000000000000 6.941 3 Li 0.16318119683812 0.83681880316188 0.25000000000000 6.941 4 Li 0.83681880316188 0.16318119683812 0.75000000000000 6.941 5 Al 0.04210126061547 0.35250914117979 0.15146932506824 26.982 6 Al 0.95789873938453 0.64749085882021 0.84853067493176 26.982 7 Al 0.64749085882021 0.95789873938453 0.34853067493176 26.982 8 Al 0.35250914117979 0.04210126061547 0.65146932506824 26.982 9 B 0.24083592255023 0.22399203142455 0.40464927232771 10.811 10 B 0.77600796857545 0.75916407744977 0.09535072767229 10.811 11 B 0.73248685309906 0.39739937007220 0.52704850946002 10.811 12 B 0.60260062992781 0.26751314690094 0.97295149053998 10.811 13 B 0.39739937007220 0.73248685309906 0.02704850946002 10.811 14 B 0.26751314690094 0.60260062992781 0.47295149053998 10.811 15 B 0.75916407744977 0.77600796857545 0.59535072767229 10.811 16 B 0.22399203142455 0.24083592255023 0.90464927232771 10.811 17 O 0.34229332120653 0.77881022688614 0.60978784944369 15.999 18 O 0.92507525885537 0.70247066422737 0.03477343567974 15.999 19 O 0.29752933577263 0.07492474114463 0.46522656432026 15.999 20 O 0.70738907944995 0.57072675310585 0.48272314839481 15.999 21 O 0.82333421478334 0.41189844929643 0.68566054715241 15.999 22 O 0.41189844929643 0.82333421478334 0.18566054715241 15.999 23 O 0.17666578521666 0.58810155070357 0.31433945284759 15.999 24 O 0.70247066422737 0.92507525885537 0.53477343567974 15.999 25 O 0.13843311036470 0.17478243658780 0.24094406340224 15.999 26 O 0.58810155070357 0.17666578521666 0.81433945284759 15.999 27 O 0.77881022688614 0.34229332120653 0.10978784944369 15.999 28 O 0.82521756341220 0.86156688963530 0.25905593659776 15.999 29 O 0.17478243658780 0.13843311036470 0.74094406340224 15.999 30 O 0.42927324689415 0.29261092055005 0.01727685160519 15.999 31 O 0.07492474114463 0.29752933577263 0.96522656432026 15.999 32 O 0.22118977311386 0.65770667879347 0.89021215055631 15.999 33 O 0.57072675310585 0.70738907944995 0.98272314839481 15.999 34 O 0.86156688963530 0.82521756341220 0.75905593659776 15.999 35 O 0.29261092055005 0.42927324689415 0.51727685160519 15.999 36 O 0.65770667879347 0.22118977311386 0.39021215055631 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.963476700015352 0.000000000000000 0.000000000000000 b 0.000000000000000 10.030231300000001 0.000000000000000 c -9.294399163777570 0.000000000000000 16.176400415518629 Atomic positions (fractional): 1 Li 0.50000000000000 0.11674842298271 0.37500000000000 6.941 > 1 2 Li 0.50000000000000 0.11674842298271 0.87500000000000 6.941 > 1 3 Li 0.50000000000000 0.88325157701729 0.12500000000000 6.941 > 3 4 Li 0.50000000000000 0.88325157701729 0.62500000000000 6.941 > 3 5 Li 0.50000000000000 0.33681880316188 0.12500000000000 6.941 > 5 6 Li 0.50000000000000 0.33681880316188 0.62500000000000 6.941 > 5 7 Li 0.50000000000000 0.66318119683812 0.37500000000000 6.941 > 7 8 Li 0.50000000000000 0.66318119683812 0.87500000000000 6.941 > 7 9 Li 0.00000000000000 0.61674842298271 0.37500000000000 6.941 > 1 10 Li 0.00000000000000 0.61674842298271 0.87500000000000 6.941 > 1 11 Li 0.00000000000000 0.38325157701729 0.12500000000000 6.941 > 3 12 Li 0.00000000000000 0.38325157701729 0.62500000000000 6.941 > 3 13 Li 0.00000000000000 0.83681880316188 0.12500000000000 6.941 > 5 14 Li 0.00000000000000 0.83681880316188 0.62500000000000 6.941 > 5 15 Li 0.00000000000000 0.16318119683812 0.37500000000000 6.941 > 7 16 Li 0.00000000000000 0.16318119683812 0.87500000000000 6.941 > 7 17 Al 0.19730520089763 0.15520394028216 0.07573466253412 26.982 > 17 18 Al 0.19730520089763 0.15520394028216 0.57573466253412 26.982 > 17 19 Al 0.80269479910237 0.84479605971784 0.42426533746588 26.982 > 19 20 Al 0.80269479910237 0.84479605971784 0.92426533746588 26.982 > 19 21 Al 0.80269479910237 0.15520394028216 0.17426533746588 26.982 > 21 22 Al 0.80269479910237 0.15520394028216 0.67426533746588 26.982 > 21 23 Al 0.19730520089763 0.84479605971784 0.32573466253412 26.982 > 23 24 Al 0.19730520089763 0.84479605971784 0.82573466253412 26.982 > 23 25 Al 0.69730520089763 0.65520394028216 0.07573466253412 26.982 > 17 26 Al 0.69730520089763 0.65520394028216 0.57573466253412 26.982 > 17 27 Al 0.30269479910237 0.34479605971784 0.42426533746588 26.982 > 19 28 Al 0.30269479910237 0.34479605971784 0.92426533746588 26.982 > 19 29 Al 0.30269479910237 0.65520394028216 0.17426533746588 26.982 > 21 30 Al 0.30269479910237 0.65520394028216 0.67426533746588 26.982 > 21 31 Al 0.69730520089763 0.34479605971784 0.32573466253412 26.982 > 23 32 Al 0.69730520089763 0.34479605971784 0.82573466253412 26.982 > 23 33 B 0.23241397698739 0.99157805443716 0.20232463616385 10.811 > 33 34 B 0.23241397698739 0.99157805443716 0.70232463616385 10.811 > 33 35 B 0.76758602301261 0.99157805443716 0.04767536383615 10.811 > 35 36 B 0.76758602301261 0.99157805443716 0.54767536383615 10.811 > 35 37 B 0.56494311158563 0.83245625848657 0.26352425473001 10.811 > 37 38 B 0.56494311158563 0.83245625848657 0.76352425473001 10.811 > 37 39 B 0.43505688841437 0.83245625848657 0.48647574526999 10.811 > 39 40 B 0.43505688841437 0.83245625848657 0.98647574526999 10.811 > 39 41 B 0.56494311158563 0.16754374151343 0.01352425473001 10.811 > 41 42 B 0.56494311158563 0.16754374151343 0.51352425473001 10.811 > 41 43 B 0.43505688841437 0.16754374151343 0.23647574526999 10.811 > 43 44 B 0.43505688841437 0.16754374151343 0.73647574526999 10.811 > 43 45 B 0.76758602301261 0.00842194556284 0.29767536383615 10.811 > 45 46 B 0.76758602301261 0.00842194556284 0.79767536383615 10.811 > 45 47 B 0.23241397698739 0.00842194556284 0.45232463616385 10.811 > 47 48 B 0.23241397698739 0.00842194556284 0.95232463616385 10.811 > 47 49 B 0.73241397698739 0.49157805443716 0.20232463616385 10.811 > 33 50 B 0.73241397698739 0.49157805443716 0.70232463616385 10.811 > 33 51 B 0.26758602301261 0.49157805443716 0.04767536383615 10.811 > 35 52 B 0.26758602301261 0.49157805443716 0.54767536383615 10.811 > 35 53 B 0.06494311158563 0.33245625848657 0.26352425473001 10.811 > 37 54 B 0.06494311158563 0.33245625848657 0.76352425473001 10.811 > 37 55 B 0.93505688841437 0.33245625848657 0.48647574526999 10.811 > 39 56 B 0.93505688841437 0.33245625848657 0.98647574526999 10.811 > 39 57 B 0.06494311158563 0.66754374151343 0.01352425473001 10.811 > 41 58 B 0.06494311158563 0.66754374151343 0.51352425473001 10.811 > 41 59 B 0.93505688841437 0.66754374151343 0.23647574526999 10.811 > 43 60 B 0.93505688841437 0.66754374151343 0.73647574526999 10.811 > 43 61 B 0.26758602301261 0.50842194556284 0.29767536383615 10.811 > 45 62 B 0.26758602301261 0.50842194556284 0.79767536383615 10.811 > 45 63 B 0.73241397698739 0.50842194556284 0.45232463616385 10.811 > 47 64 B 0.73241397698739 0.50842194556284 0.95232463616385 10.811 > 47 65 O 0.56055177404634 0.21825845283980 0.30489392472185 15.999 > 65 66 O 0.56055177404634 0.21825845283980 0.80489392472185 15.999 > 65 67 O 0.81377296154137 0.88869770268600 0.01738671783987 15.999 > 67 68 O 0.81377296154137 0.88869770268600 0.51738671783987 15.999 > 67 69 O 0.18622703845863 0.88869770268600 0.23261328216013 15.999 > 69 70 O 0.18622703845863 0.88869770268600 0.73261328216013 15.999 > 69 71 O 0.63905791627790 0.93166883682795 0.24136157419740 15.999 > 71 72 O 0.63905791627790 0.93166883682795 0.74136157419740 15.999 > 71 73 O 0.61761633203988 0.79428211725654 0.34283027357621 15.999 > 73 74 O 0.61761633203988 0.79428211725654 0.84283027357621 15.999 > 73 75 O 0.61761633203988 0.20571788274346 0.09283027357621 15.999 > 75 76 O 0.61761633203988 0.20571788274346 0.59283027357621 15.999 > 75 77 O 0.38238366796012 0.20571788274346 0.15716972642379 15.999 > 77 78 O 0.38238366796012 0.20571788274346 0.65716972642379 15.999 > 77 79 O 0.81377296154137 0.11130229731400 0.26738671783987 15.999 > 79 80 O 0.81377296154137 0.11130229731400 0.76738671783987 15.999 > 79 81 O 0.15660777347625 0.01817466311155 0.12047203170112 15.999 > 81 82 O 0.15660777347625 0.01817466311155 0.62047203170112 15.999 > 81 83 O 0.38238366796012 0.79428211725654 0.40716972642379 15.999 > 83 84 O 0.38238366796012 0.79428211725654 0.90716972642379 15.999 > 83 85 O 0.56055177404634 0.78174154716020 0.05489392472185 15.999 > 85 86 O 0.56055177404634 0.78174154716020 0.55489392472185 15.999 > 85 87 O 0.84339222652375 0.01817466311155 0.12952796829888 15.999 > 87 88 O 0.84339222652375 0.01817466311155 0.62952796829888 15.999 > 87 89 O 0.15660777347625 0.98182533688845 0.37047203170112 15.999 > 89 90 O 0.15660777347625 0.98182533688845 0.87047203170112 15.999 > 89 91 O 0.36094208372210 0.93166883682795 0.00863842580260 15.999 > 91 92 O 0.36094208372210 0.93166883682795 0.50863842580260 15.999 > 91 93 O 0.18622703845863 0.11130229731400 0.48261328216013 15.999 > 93 94 O 0.18622703845863 0.11130229731400 0.98261328216013 15.999 > 93 95 O 0.43944822595366 0.21825845283980 0.44510607527815 15.999 > 95 96 O 0.43944822595366 0.21825845283980 0.94510607527815 15.999 > 95 97 O 0.63905791627790 0.06833116317205 0.49136157419740 15.999 > 97 98 O 0.63905791627790 0.06833116317205 0.99136157419740 15.999 > 97 99 O 0.84339222652375 0.98182533688845 0.37952796829888 15.999 > 99 100 O 0.84339222652375 0.98182533688845 0.87952796829888 15.999 > 99 101 O 0.36094208372210 0.06833116317205 0.25863842580260 15.999 > 101 102 O 0.36094208372210 0.06833116317205 0.75863842580260 15.999 > 101 103 O 0.43944822595366 0.78174154716020 0.19510607527815 15.999 > 103 104 O 0.43944822595366 0.78174154716020 0.69510607527815 15.999 > 103 105 O 0.06055177404634 0.71825845283980 0.30489392472185 15.999 > 65 106 O 0.06055177404634 0.71825845283980 0.80489392472185 15.999 > 65 107 O 0.31377296154137 0.38869770268600 0.01738671783987 15.999 > 67 108 O 0.31377296154137 0.38869770268600 0.51738671783987 15.999 > 67 109 O 0.68622703845863 0.38869770268600 0.23261328216013 15.999 > 69 110 O 0.68622703845863 0.38869770268600 0.73261328216013 15.999 > 69 111 O 0.13905791627790 0.43166883682795 0.24136157419740 15.999 > 71 112 O 0.13905791627790 0.43166883682795 0.74136157419740 15.999 > 71 113 O 0.11761633203989 0.29428211725654 0.34283027357621 15.999 > 73 114 O 0.11761633203989 0.29428211725654 0.84283027357621 15.999 > 73 115 O 0.11761633203989 0.70571788274346 0.09283027357621 15.999 > 75 116 O 0.11761633203989 0.70571788274346 0.59283027357621 15.999 > 75 117 O 0.88238366796012 0.70571788274346 0.15716972642379 15.999 > 77 118 O 0.88238366796012 0.70571788274346 0.65716972642379 15.999 > 77 119 O 0.31377296154137 0.61130229731400 0.26738671783987 15.999 > 79 120 O 0.31377296154137 0.61130229731400 0.76738671783987 15.999 > 79 121 O 0.65660777347625 0.51817466311155 0.12047203170112 15.999 > 81 122 O 0.65660777347625 0.51817466311155 0.62047203170112 15.999 > 81 123 O 0.88238366796012 0.29428211725654 0.40716972642379 15.999 > 83 124 O 0.88238366796012 0.29428211725654 0.90716972642379 15.999 > 83 125 O 0.06055177404634 0.28174154716020 0.05489392472185 15.999 > 85 126 O 0.06055177404634 0.28174154716020 0.55489392472185 15.999 > 85 127 O 0.34339222652375 0.51817466311155 0.12952796829888 15.999 > 87 128 O 0.34339222652375 0.51817466311155 0.62952796829888 15.999 > 87 129 O 0.65660777347625 0.48182533688845 0.37047203170112 15.999 > 89 130 O 0.65660777347625 0.48182533688845 0.87047203170112 15.999 > 89 131 O 0.86094208372210 0.43166883682795 0.00863842580260 15.999 > 91 132 O 0.86094208372210 0.43166883682795 0.50863842580260 15.999 > 91 133 O 0.68622703845863 0.61130229731400 0.48261328216013 15.999 > 93 134 O 0.68622703845863 0.61130229731400 0.98261328216013 15.999 > 93 135 O 0.93944822595366 0.71825845283980 0.44510607527815 15.999 > 95 136 O 0.93944822595366 0.71825845283980 0.94510607527815 15.999 > 95 137 O 0.13905791627790 0.56833116317205 0.49136157419740 15.999 > 97 138 O 0.13905791627790 0.56833116317205 0.99136157419740 15.999 > 97 139 O 0.34339222652375 0.48182533688845 0.37952796829888 15.999 > 99 140 O 0.34339222652375 0.48182533688845 0.87952796829888 15.999 > 99 141 O 0.86094208372210 0.56833116317205 0.25863842580260 15.999 > 101 142 O 0.86094208372210 0.56833116317205 0.75863842580260 15.999 > 101 143 O 0.93944822595366 0.28174154716020 0.19510607527815 15.999 > 103 144 O 0.93944822595366 0.28174154716020 0.69510607527815 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3575727 0.0000000 0.0394450 0.0000000 2.4352829 0.0000000 0.0394449 0.0000000 2.5907814 -------------------------- Born effective charges -------------------------- 1 Li 0.9292497 -0.0000000 -0.1283017 -0.0000000 0.8727644 0.0000000 -0.1593754 0.0000000 1.2886652 2 Li 0.9292497 -0.0000000 -0.1283017 -0.0000000 0.8727644 0.0000000 -0.1593754 0.0000000 1.2886652 3 Li 1.1559065 -0.0000000 0.0909313 -0.0000000 1.1130323 0.0000000 0.0700148 0.0000000 1.0143259 4 Li 1.1559065 -0.0000000 0.0909313 -0.0000000 1.1130323 0.0000000 0.0700148 0.0000000 1.0143259 5 Al 2.4933104 -0.2008378 -0.1713757 -0.1995093 2.7026010 -0.1190906 0.1008849 -0.4171979 3.0083819 6 Al 2.4933104 -0.2008378 -0.1713757 -0.1995093 2.7026010 -0.1190906 0.1008849 -0.4171979 3.0083819 7 Al 2.4933104 0.2008378 -0.1713757 0.1995093 2.7026010 0.1190906 0.1008849 0.4171979 3.0083819 8 Al 2.4933104 0.2008378 -0.1713757 0.1995093 2.7026010 0.1190906 0.1008849 0.4171979 3.0083819 9 B 1.6361430 1.0181226 0.1710254 0.9874486 2.0686471 -0.2723737 0.0144892 -0.4195179 2.4648842 10 B 1.6361430 -1.0181226 0.1710254 -0.9874486 2.0686471 0.2723737 0.0144892 0.4195179 2.4648842 11 B 1.6296351 0.9144874 0.3900694 0.9583927 1.6994132 0.0270136 0.2762975 -0.0339550 2.6959227 12 B 1.6296351 -0.9144874 0.3900694 -0.9583927 1.6994132 -0.0270136 0.2762975 0.0339550 2.6959227 13 B 1.6296351 -0.9144874 0.3900694 -0.9583927 1.6994132 -0.0270136 0.2762975 0.0339550 2.6959227 14 B 1.6296351 0.9144874 0.3900694 0.9583927 1.6994132 0.0270136 0.2762975 -0.0339550 2.6959227 15 B 1.6361430 1.0181226 0.1710254 0.9874486 2.0686471 -0.2723737 0.0144892 -0.4195179 2.4648842 16 B 1.6361430 -1.0181226 0.1710254 -0.9874486 2.0686471 0.2723737 0.0144892 0.4195179 2.4648842 17 O -1.5311845 -0.5771404 -0.4777293 -0.5929405 -1.5232907 -0.4669911 -0.5033107 -0.4894161 -1.8527900 18 O -1.5005146 0.6596438 0.4724917 0.6122658 -1.7921790 -0.4587145 0.3734555 -0.4374043 -1.6938604 19 O -1.5005146 -0.6596438 0.4724917 -0.6122658 -1.7921790 0.4587145 0.3734555 0.4374043 -1.6938604 20 O -1.4871308 -0.9371449 -0.2708768 -0.9393751 -1.6215370 -0.2024722 -0.2272172 -0.1659097 -1.4050747 21 O -1.1572838 -0.2622144 -0.1706068 -0.2829302 -1.1491433 0.2157834 -0.0862856 0.2624024 -2.2874032 22 O -1.1572838 0.2622144 -0.1706068 0.2829302 -1.1491433 -0.2157834 -0.0862856 -0.2624024 -2.2874032 23 O -1.1572838 -0.2622144 -0.1706068 -0.2829302 -1.1491433 0.2157834 -0.0862856 0.2624024 -2.2874032 24 O -1.5005146 -0.6596438 0.4724917 -0.6122658 -1.7921790 0.4587145 0.3734555 0.4374043 -1.6938604 25 O -1.1255528 -0.3081675 0.0756874 -0.3040920 -1.3774097 0.4607660 0.0963667 0.4745470 -2.0815561 26 O -1.1572838 0.2622144 -0.1706068 0.2829302 -1.1491433 -0.2157834 -0.0862856 -0.2624024 -2.2874032 27 O -1.5311845 0.5771404 -0.4777293 0.5929405 -1.5232907 0.4669911 -0.5033107 0.4894161 -1.8527900 28 O -1.1255528 0.3081675 0.0756874 0.3040920 -1.3774097 -0.4607660 0.0963667 -0.4745470 -2.0815561 29 O -1.1255528 0.3081675 0.0756874 0.3040920 -1.3774097 -0.4607660 0.0963667 -0.4745470 -2.0815561 30 O -1.4871308 0.9371449 -0.2708768 0.9393751 -1.6215370 0.2024722 -0.2272172 0.1659097 -1.4050747 31 O -1.5005146 0.6596438 0.4724917 0.6122658 -1.7921790 -0.4587145 0.3734555 -0.4374043 -1.6938604 32 O -1.5311845 0.5771404 -0.4777293 0.5929405 -1.5232907 0.4669911 -0.5033107 0.4894161 -1.8527900 33 O -1.4871308 0.9371449 -0.2708768 0.9393751 -1.6215370 0.2024722 -0.2272172 0.1659097 -1.4050747 34 O -1.1255528 -0.3081675 0.0756874 -0.3040920 -1.3774097 0.4607660 0.0963667 0.4745470 -2.0815561 35 O -1.4871308 -0.9371449 -0.2708768 -0.9393751 -1.6215370 -0.2024722 -0.2272172 -0.1659097 -1.4050747 36 O -1.5311845 -0.5771404 -0.4777293 -0.5929405 -1.5232907 -0.4669911 -0.5033107 -0.4894161 -1.8527900 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 5, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 67, 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:16:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:16:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.981738350007676 -5.015115650000000 0.000000000000000 b 4.981738350007676 5.015115650000000 0.000000000000000 c -4.647199581888785 0.000000000000000 8.088200207759314 Atomic positions (fractional): 1 Li 0.38325157701729 0.61674842298271 0.75000000000000 6.941 2 Li 0.61674842298271 0.38325157701729 0.25000000000000 6.941 3 Li 0.16318119683812 0.83681880316188 0.25000000000000 6.941 4 Li 0.83681880316188 0.16318119683812 0.75000000000000 6.941 5 Al 0.04210126061547 0.35250914117979 0.15146932506824 26.982 6 Al 0.95789873938453 0.64749085882021 0.84853067493176 26.982 7 Al 0.64749085882021 0.95789873938453 0.34853067493176 26.982 8 Al 0.35250914117979 0.04210126061547 0.65146932506824 26.982 9 B 0.24083592255023 0.22399203142455 0.40464927232771 10.811 10 B 0.77600796857545 0.75916407744977 0.09535072767229 10.811 11 B 0.73248685309906 0.39739937007220 0.52704850946002 10.811 12 B 0.60260062992781 0.26751314690094 0.97295149053998 10.811 13 B 0.39739937007220 0.73248685309906 0.02704850946002 10.811 14 B 0.26751314690094 0.60260062992781 0.47295149053998 10.811 15 B 0.75916407744977 0.77600796857545 0.59535072767229 10.811 16 B 0.22399203142455 0.24083592255023 0.90464927232771 10.811 17 O 0.34229332120653 0.77881022688614 0.60978784944369 15.999 18 O 0.92507525885537 0.70247066422737 0.03477343567974 15.999 19 O 0.29752933577263 0.07492474114463 0.46522656432026 15.999 20 O 0.70738907944995 0.57072675310585 0.48272314839481 15.999 21 O 0.82333421478334 0.41189844929643 0.68566054715241 15.999 22 O 0.41189844929643 0.82333421478334 0.18566054715241 15.999 23 O 0.17666578521666 0.58810155070357 0.31433945284759 15.999 24 O 0.70247066422737 0.92507525885537 0.53477343567974 15.999 25 O 0.13843311036470 0.17478243658780 0.24094406340224 15.999 26 O 0.58810155070357 0.17666578521666 0.81433945284759 15.999 27 O 0.77881022688614 0.34229332120653 0.10978784944369 15.999 28 O 0.82521756341220 0.86156688963530 0.25905593659776 15.999 29 O 0.17478243658780 0.13843311036470 0.74094406340224 15.999 30 O 0.42927324689415 0.29261092055005 0.01727685160519 15.999 31 O 0.07492474114463 0.29752933577263 0.96522656432026 15.999 32 O 0.22118977311386 0.65770667879347 0.89021215055631 15.999 33 O 0.57072675310585 0.70738907944995 0.98272314839481 15.999 34 O 0.86156688963530 0.82521756341220 0.75905593659776 15.999 35 O 0.29261092055005 0.42927324689415 0.51727685160519 15.999 36 O 0.65770667879347 0.22118977311386 0.39021215055631 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.963476700015352 0.000000000000000 0.000000000000000 b 0.000000000000000 10.030231300000001 0.000000000000000 c -9.294399163777570 0.000000000000000 16.176400415518629 Atomic positions (fractional): 1 Li 0.50000000000000 0.11674842298271 0.37500000000000 6.941 > 1 2 Li 0.50000000000000 0.11674842298271 0.87500000000000 6.941 > 1 3 Li 0.50000000000000 0.88325157701729 0.12500000000000 6.941 > 3 4 Li 0.50000000000000 0.88325157701729 0.62500000000000 6.941 > 3 5 Li 0.50000000000000 0.33681880316188 0.12500000000000 6.941 > 5 6 Li 0.50000000000000 0.33681880316188 0.62500000000000 6.941 > 5 7 Li 0.50000000000000 0.66318119683812 0.37500000000000 6.941 > 7 8 Li 0.50000000000000 0.66318119683812 0.87500000000000 6.941 > 7 9 Li 0.00000000000000 0.61674842298271 0.37500000000000 6.941 > 1 10 Li 0.00000000000000 0.61674842298271 0.87500000000000 6.941 > 1 11 Li 0.00000000000000 0.38325157701729 0.12500000000000 6.941 > 3 12 Li 0.00000000000000 0.38325157701729 0.62500000000000 6.941 > 3 13 Li 0.00000000000000 0.83681880316188 0.12500000000000 6.941 > 5 14 Li 0.00000000000000 0.83681880316188 0.62500000000000 6.941 > 5 15 Li 0.00000000000000 0.16318119683812 0.37500000000000 6.941 > 7 16 Li 0.00000000000000 0.16318119683812 0.87500000000000 6.941 > 7 17 Al 0.19730520089763 0.15520394028216 0.07573466253412 26.982 > 17 18 Al 0.19730520089763 0.15520394028216 0.57573466253412 26.982 > 17 19 Al 0.80269479910237 0.84479605971784 0.42426533746588 26.982 > 19 20 Al 0.80269479910237 0.84479605971784 0.92426533746588 26.982 > 19 21 Al 0.80269479910237 0.15520394028216 0.17426533746588 26.982 > 21 22 Al 0.80269479910237 0.15520394028216 0.67426533746588 26.982 > 21 23 Al 0.19730520089763 0.84479605971784 0.32573466253412 26.982 > 23 24 Al 0.19730520089763 0.84479605971784 0.82573466253412 26.982 > 23 25 Al 0.69730520089763 0.65520394028216 0.07573466253412 26.982 > 17 26 Al 0.69730520089763 0.65520394028216 0.57573466253412 26.982 > 17 27 Al 0.30269479910237 0.34479605971784 0.42426533746588 26.982 > 19 28 Al 0.30269479910237 0.34479605971784 0.92426533746588 26.982 > 19 29 Al 0.30269479910237 0.65520394028216 0.17426533746588 26.982 > 21 30 Al 0.30269479910237 0.65520394028216 0.67426533746588 26.982 > 21 31 Al 0.69730520089763 0.34479605971784 0.32573466253412 26.982 > 23 32 Al 0.69730520089763 0.34479605971784 0.82573466253412 26.982 > 23 33 B 0.23241397698739 0.99157805443716 0.20232463616385 10.811 > 33 34 B 0.23241397698739 0.99157805443716 0.70232463616385 10.811 > 33 35 B 0.76758602301261 0.99157805443716 0.04767536383615 10.811 > 35 36 B 0.76758602301261 0.99157805443716 0.54767536383615 10.811 > 35 37 B 0.56494311158563 0.83245625848657 0.26352425473001 10.811 > 37 38 B 0.56494311158563 0.83245625848657 0.76352425473001 10.811 > 37 39 B 0.43505688841437 0.83245625848657 0.48647574526999 10.811 > 39 40 B 0.43505688841437 0.83245625848657 0.98647574526999 10.811 > 39 41 B 0.56494311158563 0.16754374151343 0.01352425473001 10.811 > 41 42 B 0.56494311158563 0.16754374151343 0.51352425473001 10.811 > 41 43 B 0.43505688841437 0.16754374151343 0.23647574526999 10.811 > 43 44 B 0.43505688841437 0.16754374151343 0.73647574526999 10.811 > 43 45 B 0.76758602301261 0.00842194556284 0.29767536383615 10.811 > 45 46 B 0.76758602301261 0.00842194556284 0.79767536383615 10.811 > 45 47 B 0.23241397698739 0.00842194556284 0.45232463616385 10.811 > 47 48 B 0.23241397698739 0.00842194556284 0.95232463616385 10.811 > 47 49 B 0.73241397698739 0.49157805443716 0.20232463616385 10.811 > 33 50 B 0.73241397698739 0.49157805443716 0.70232463616385 10.811 > 33 51 B 0.26758602301261 0.49157805443716 0.04767536383615 10.811 > 35 52 B 0.26758602301261 0.49157805443716 0.54767536383615 10.811 > 35 53 B 0.06494311158563 0.33245625848657 0.26352425473001 10.811 > 37 54 B 0.06494311158563 0.33245625848657 0.76352425473001 10.811 > 37 55 B 0.93505688841437 0.33245625848657 0.48647574526999 10.811 > 39 56 B 0.93505688841437 0.33245625848657 0.98647574526999 10.811 > 39 57 B 0.06494311158563 0.66754374151343 0.01352425473001 10.811 > 41 58 B 0.06494311158563 0.66754374151343 0.51352425473001 10.811 > 41 59 B 0.93505688841437 0.66754374151343 0.23647574526999 10.811 > 43 60 B 0.93505688841437 0.66754374151343 0.73647574526999 10.811 > 43 61 B 0.26758602301261 0.50842194556284 0.29767536383615 10.811 > 45 62 B 0.26758602301261 0.50842194556284 0.79767536383615 10.811 > 45 63 B 0.73241397698739 0.50842194556284 0.45232463616385 10.811 > 47 64 B 0.73241397698739 0.50842194556284 0.95232463616385 10.811 > 47 65 O 0.56055177404634 0.21825845283980 0.30489392472185 15.999 > 65 66 O 0.56055177404634 0.21825845283980 0.80489392472185 15.999 > 65 67 O 0.81377296154137 0.88869770268600 0.01738671783987 15.999 > 67 68 O 0.81377296154137 0.88869770268600 0.51738671783987 15.999 > 67 69 O 0.18622703845863 0.88869770268600 0.23261328216013 15.999 > 69 70 O 0.18622703845863 0.88869770268600 0.73261328216013 15.999 > 69 71 O 0.63905791627790 0.93166883682795 0.24136157419740 15.999 > 71 72 O 0.63905791627790 0.93166883682795 0.74136157419740 15.999 > 71 73 O 0.61761633203988 0.79428211725654 0.34283027357621 15.999 > 73 74 O 0.61761633203988 0.79428211725654 0.84283027357621 15.999 > 73 75 O 0.61761633203988 0.20571788274346 0.09283027357621 15.999 > 75 76 O 0.61761633203988 0.20571788274346 0.59283027357621 15.999 > 75 77 O 0.38238366796012 0.20571788274346 0.15716972642379 15.999 > 77 78 O 0.38238366796012 0.20571788274346 0.65716972642379 15.999 > 77 79 O 0.81377296154137 0.11130229731400 0.26738671783987 15.999 > 79 80 O 0.81377296154137 0.11130229731400 0.76738671783987 15.999 > 79 81 O 0.15660777347625 0.01817466311155 0.12047203170112 15.999 > 81 82 O 0.15660777347625 0.01817466311155 0.62047203170112 15.999 > 81 83 O 0.38238366796012 0.79428211725654 0.40716972642379 15.999 > 83 84 O 0.38238366796012 0.79428211725654 0.90716972642379 15.999 > 83 85 O 0.56055177404634 0.78174154716020 0.05489392472185 15.999 > 85 86 O 0.56055177404634 0.78174154716020 0.55489392472185 15.999 > 85 87 O 0.84339222652375 0.01817466311155 0.12952796829888 15.999 > 87 88 O 0.84339222652375 0.01817466311155 0.62952796829888 15.999 > 87 89 O 0.15660777347625 0.98182533688845 0.37047203170112 15.999 > 89 90 O 0.15660777347625 0.98182533688845 0.87047203170112 15.999 > 89 91 O 0.36094208372210 0.93166883682795 0.00863842580260 15.999 > 91 92 O 0.36094208372210 0.93166883682795 0.50863842580260 15.999 > 91 93 O 0.18622703845863 0.11130229731400 0.48261328216013 15.999 > 93 94 O 0.18622703845863 0.11130229731400 0.98261328216013 15.999 > 93 95 O 0.43944822595366 0.21825845283980 0.44510607527815 15.999 > 95 96 O 0.43944822595366 0.21825845283980 0.94510607527815 15.999 > 95 97 O 0.63905791627790 0.06833116317205 0.49136157419740 15.999 > 97 98 O 0.63905791627790 0.06833116317205 0.99136157419740 15.999 > 97 99 O 0.84339222652375 0.98182533688845 0.37952796829888 15.999 > 99 100 O 0.84339222652375 0.98182533688845 0.87952796829888 15.999 > 99 101 O 0.36094208372210 0.06833116317205 0.25863842580260 15.999 > 101 102 O 0.36094208372210 0.06833116317205 0.75863842580260 15.999 > 101 103 O 0.43944822595366 0.78174154716020 0.19510607527815 15.999 > 103 104 O 0.43944822595366 0.78174154716020 0.69510607527815 15.999 > 103 105 O 0.06055177404634 0.71825845283980 0.30489392472185 15.999 > 65 106 O 0.06055177404634 0.71825845283980 0.80489392472185 15.999 > 65 107 O 0.31377296154137 0.38869770268600 0.01738671783987 15.999 > 67 108 O 0.31377296154137 0.38869770268600 0.51738671783987 15.999 > 67 109 O 0.68622703845863 0.38869770268600 0.23261328216013 15.999 > 69 110 O 0.68622703845863 0.38869770268600 0.73261328216013 15.999 > 69 111 O 0.13905791627790 0.43166883682795 0.24136157419740 15.999 > 71 112 O 0.13905791627790 0.43166883682795 0.74136157419740 15.999 > 71 113 O 0.11761633203989 0.29428211725654 0.34283027357621 15.999 > 73 114 O 0.11761633203989 0.29428211725654 0.84283027357621 15.999 > 73 115 O 0.11761633203989 0.70571788274346 0.09283027357621 15.999 > 75 116 O 0.11761633203989 0.70571788274346 0.59283027357621 15.999 > 75 117 O 0.88238366796012 0.70571788274346 0.15716972642379 15.999 > 77 118 O 0.88238366796012 0.70571788274346 0.65716972642379 15.999 > 77 119 O 0.31377296154137 0.61130229731400 0.26738671783987 15.999 > 79 120 O 0.31377296154137 0.61130229731400 0.76738671783987 15.999 > 79 121 O 0.65660777347625 0.51817466311155 0.12047203170112 15.999 > 81 122 O 0.65660777347625 0.51817466311155 0.62047203170112 15.999 > 81 123 O 0.88238366796012 0.29428211725654 0.40716972642379 15.999 > 83 124 O 0.88238366796012 0.29428211725654 0.90716972642379 15.999 > 83 125 O 0.06055177404634 0.28174154716020 0.05489392472185 15.999 > 85 126 O 0.06055177404634 0.28174154716020 0.55489392472185 15.999 > 85 127 O 0.34339222652375 0.51817466311155 0.12952796829888 15.999 > 87 128 O 0.34339222652375 0.51817466311155 0.62952796829888 15.999 > 87 129 O 0.65660777347625 0.48182533688845 0.37047203170112 15.999 > 89 130 O 0.65660777347625 0.48182533688845 0.87047203170112 15.999 > 89 131 O 0.86094208372210 0.43166883682795 0.00863842580260 15.999 > 91 132 O 0.86094208372210 0.43166883682795 0.50863842580260 15.999 > 91 133 O 0.68622703845863 0.61130229731400 0.48261328216013 15.999 > 93 134 O 0.68622703845863 0.61130229731400 0.98261328216013 15.999 > 93 135 O 0.93944822595366 0.71825845283980 0.44510607527815 15.999 > 95 136 O 0.93944822595366 0.71825845283980 0.94510607527815 15.999 > 95 137 O 0.13905791627790 0.56833116317205 0.49136157419740 15.999 > 97 138 O 0.13905791627790 0.56833116317205 0.99136157419740 15.999 > 97 139 O 0.34339222652375 0.48182533688845 0.37952796829888 15.999 > 99 140 O 0.34339222652375 0.48182533688845 0.87952796829888 15.999 > 99 141 O 0.86094208372210 0.56833116317205 0.25863842580260 15.999 > 101 142 O 0.86094208372210 0.56833116317205 0.75863842580260 15.999 > 101 143 O 0.93944822595366 0.28174154716020 0.19510607527815 15.999 > 103 144 O 0.93944822595366 0.28174154716020 0.69510607527815 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3575727 0.0000000 0.0394450 0.0000000 2.4352829 0.0000000 0.0394449 0.0000000 2.5907814 -------------------------- Born effective charges -------------------------- 1 Li 0.9292497 -0.0000000 -0.1283017 -0.0000000 0.8727644 0.0000000 -0.1593754 0.0000000 1.2886652 2 Li 0.9292497 -0.0000000 -0.1283017 -0.0000000 0.8727644 0.0000000 -0.1593754 0.0000000 1.2886652 3 Li 1.1559065 -0.0000000 0.0909313 -0.0000000 1.1130323 0.0000000 0.0700148 0.0000000 1.0143259 4 Li 1.1559065 -0.0000000 0.0909313 -0.0000000 1.1130323 0.0000000 0.0700148 0.0000000 1.0143259 5 Al 2.4933104 -0.2008378 -0.1713757 -0.1995093 2.7026010 -0.1190906 0.1008849 -0.4171979 3.0083819 6 Al 2.4933104 -0.2008378 -0.1713757 -0.1995093 2.7026010 -0.1190906 0.1008849 -0.4171979 3.0083819 7 Al 2.4933104 0.2008378 -0.1713757 0.1995093 2.7026010 0.1190906 0.1008849 0.4171979 3.0083819 8 Al 2.4933104 0.2008378 -0.1713757 0.1995093 2.7026010 0.1190906 0.1008849 0.4171979 3.0083819 9 B 1.6361430 1.0181226 0.1710254 0.9874486 2.0686471 -0.2723737 0.0144892 -0.4195179 2.4648842 10 B 1.6361430 -1.0181226 0.1710254 -0.9874486 2.0686471 0.2723737 0.0144892 0.4195179 2.4648842 11 B 1.6296351 0.9144874 0.3900694 0.9583927 1.6994132 0.0270136 0.2762975 -0.0339550 2.6959227 12 B 1.6296351 -0.9144874 0.3900694 -0.9583927 1.6994132 -0.0270136 0.2762975 0.0339550 2.6959227 13 B 1.6296351 -0.9144874 0.3900694 -0.9583927 1.6994132 -0.0270136 0.2762975 0.0339550 2.6959227 14 B 1.6296351 0.9144874 0.3900694 0.9583927 1.6994132 0.0270136 0.2762975 -0.0339550 2.6959227 15 B 1.6361430 1.0181226 0.1710254 0.9874486 2.0686471 -0.2723737 0.0144892 -0.4195179 2.4648842 16 B 1.6361430 -1.0181226 0.1710254 -0.9874486 2.0686471 0.2723737 0.0144892 0.4195179 2.4648842 17 O -1.5311845 -0.5771404 -0.4777293 -0.5929405 -1.5232907 -0.4669911 -0.5033107 -0.4894161 -1.8527900 18 O -1.5005146 0.6596438 0.4724917 0.6122658 -1.7921790 -0.4587145 0.3734555 -0.4374043 -1.6938604 19 O -1.5005146 -0.6596438 0.4724917 -0.6122658 -1.7921790 0.4587145 0.3734555 0.4374043 -1.6938604 20 O -1.4871308 -0.9371449 -0.2708768 -0.9393751 -1.6215370 -0.2024722 -0.2272172 -0.1659097 -1.4050747 21 O -1.1572838 -0.2622144 -0.1706068 -0.2829302 -1.1491433 0.2157834 -0.0862856 0.2624024 -2.2874032 22 O -1.1572838 0.2622144 -0.1706068 0.2829302 -1.1491433 -0.2157834 -0.0862856 -0.2624024 -2.2874032 23 O -1.1572838 -0.2622144 -0.1706068 -0.2829302 -1.1491433 0.2157834 -0.0862856 0.2624024 -2.2874032 24 O -1.5005146 -0.6596438 0.4724917 -0.6122658 -1.7921790 0.4587145 0.3734555 0.4374043 -1.6938604 25 O -1.1255528 -0.3081675 0.0756874 -0.3040920 -1.3774097 0.4607660 0.0963667 0.4745470 -2.0815561 26 O -1.1572838 0.2622144 -0.1706068 0.2829302 -1.1491433 -0.2157834 -0.0862856 -0.2624024 -2.2874032 27 O -1.5311845 0.5771404 -0.4777293 0.5929405 -1.5232907 0.4669911 -0.5033107 0.4894161 -1.8527900 28 O -1.1255528 0.3081675 0.0756874 0.3040920 -1.3774097 -0.4607660 0.0963667 -0.4745470 -2.0815561 29 O -1.1255528 0.3081675 0.0756874 0.3040920 -1.3774097 -0.4607660 0.0963667 -0.4745470 -2.0815561 30 O -1.4871308 0.9371449 -0.2708768 0.9393751 -1.6215370 0.2024722 -0.2272172 0.1659097 -1.4050747 31 O -1.5005146 0.6596438 0.4724917 0.6122658 -1.7921790 -0.4587145 0.3734555 -0.4374043 -1.6938604 32 O -1.5311845 0.5771404 -0.4777293 0.5929405 -1.5232907 0.4669911 -0.5033107 0.4894161 -1.8527900 33 O -1.4871308 0.9371449 -0.2708768 0.9393751 -1.6215370 0.2024722 -0.2272172 0.1659097 -1.4050747 34 O -1.1255528 -0.3081675 0.0756874 -0.3040920 -1.3774097 0.4607660 0.0963667 0.4745470 -2.0815561 35 O -1.4871308 -0.9371449 -0.2708768 -0.9393751 -1.6215370 -0.2024722 -0.2272172 -0.1659097 -1.4050747 36 O -1.5311845 -0.5771404 -0.4777293 -0.5929405 -1.5232907 -0.4669911 -0.5033107 -0.4894161 -1.8527900 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) 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 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.389 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.747 ( 0.000 0.000 0.000) 0.000 9.937 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 11.250 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.577 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 12.159 ( 0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 12.813 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.284 ( 0.000 0.000 0.000) 0.000 13.647 ( 0.000 0.000 0.000) 0.000 13.919 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 15.376 ( 0.000 0.000 0.000) 0.000 15.519 ( 0.000 0.000 0.000) 0.000 15.619 ( 0.000 0.000 0.000) 0.000 15.983 ( 0.000 0.000 0.000) 0.000 16.799 ( 0.000 0.000 0.000) 0.000 17.129 ( 0.000 0.000 0.000) 0.000 18.767 ( 0.000 0.000 0.000) 0.000 18.948 ( 0.000 0.000 0.000) 0.000 18.995 ( 0.000 0.000 0.000) 0.000 19.116 ( 0.000 0.000 0.000) 0.000 19.401 ( 0.000 0.000 0.000) 0.000 19.605 ( 0.000 0.000 0.000) 0.000 19.633 ( 0.000 0.000 0.000) 0.000 19.720 ( 0.000 0.000 0.000) 0.000 20.363 ( 0.000 0.000 0.000) 0.000 20.560 ( 0.000 0.000 0.000) 0.000 20.572 ( 0.000 0.000 0.000) 0.000 20.644 ( 0.000 0.000 0.000) 0.000 20.717 ( 0.000 0.000 0.000) 0.000 20.837 ( 0.000 0.000 0.000) 0.000 20.872 ( 0.000 0.000 0.000) 0.000 20.950 ( 0.000 0.000 0.000) 0.000 21.494 ( 0.000 0.000 0.000) 0.000 21.532 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 22.047 ( 0.000 0.000 0.000) 0.000 22.763 ( 0.000 0.000 0.000) 0.000 22.795 ( 0.000 0.000 0.000) 0.000 23.548 ( 0.000 0.000 0.000) 0.000 23.570 ( 0.000 0.000 0.000) 0.000 26.679 ( 0.000 0.000 0.000) 0.000 26.760 ( 0.000 0.000 0.000) 0.000 28.068 ( 0.000 0.000 0.000) 0.000 28.148 ( 0.000 0.000 0.000) 0.000 31.865 ( 0.000 0.000 0.000) 0.000 31.961 ( 0.000 0.000 0.000) 0.000 31.962 ( 0.000 0.000 0.000) 0.000 32.013 ( 0.000 0.000 0.000) 0.000 35.616 ( 0.000 0.000 0.000) 0.000 35.674 ( 0.000 0.000 0.000) 0.000 36.080 ( 0.000 0.000 0.000) 0.000 36.093 ( 0.000 0.000 0.000) 0.000 39.090 ( 0.000 0.000 0.000) 0.000 39.263 ( 0.000 0.000 0.000) 0.000 39.787 ( 0.000 0.000 0.000) 0.000 40.114 ( 0.000 0.000 0.000) 0.000 41.296 ( 0.000 0.000 0.000) 0.000 41.560 ( 0.000 0.000 0.000) 0.000 41.690 ( 0.000 0.000 0.000) 0.000 41.809 ( 0.000 0.000 0.000) 0.000 41.871 ( 0.000 0.000 0.000) 0.000 42.135 ( 0.000 0.000 0.000) 0.000 45.019 ( 0.000 0.000 0.000) 0.000 45.214 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 5.433 -22.727 21.898) 32.024 0.685 ( 13.896 -16.022 37.465) 43.051 1.262 ( 42.193 -42.840 17.538) 62.635 2.429 ( 3.133 17.227 1.078) 17.543 2.858 ( 3.785 -3.748 -0.513) 5.352 2.894 ( 2.014 -14.428 2.101) 14.719 3.118 ( 0.561 4.105 1.183) 4.309 3.525 ( -1.508 4.424 -1.640) 4.953 3.589 ( 4.869 -2.273 -1.968) 5.723 3.673 ( -1.411 -7.808 -7.277) 10.767 3.762 ( -4.494 -0.622 7.105) 8.430 3.887 ( 3.556 -2.700 -4.946) 6.664 4.074 ( 6.926 4.570 4.305) 9.348 4.466 ( -8.820 -10.519 -6.340) 15.121 4.688 ( 4.012 -3.449 -0.653) 5.331 4.840 ( -8.393 -6.092 -18.113) 20.873 5.138 ( 1.206 3.142 8.929) 9.542 5.670 ( 0.990 3.207 -1.271) 3.589 5.714 ( -0.106 6.368 -5.009) 8.103 5.835 ( 5.987 -3.131 -8.901) 11.175 5.930 ( -1.657 1.380 0.787) 2.296 5.987 ( 4.410 -2.330 -7.880) 9.326 6.299 ( 6.124 0.407 8.150) 10.203 6.382 ( 4.114 9.125 0.042) 10.010 6.646 ( 0.319 -2.153 6.931) 7.265 6.874 ( 5.593 -9.173 10.661) 15.136 7.209 ( -8.168 -3.758 -0.615) 9.012 7.274 ( -5.892 -1.895 4.394) 7.591 7.584 ( 5.979 4.313 -6.801) 10.030 7.617 ( -3.502 -0.837 -8.994) 9.688 8.000 ( 2.500 2.116 -1.753) 3.715 8.116 ( -4.621 -0.238 -3.284) 5.674 8.426 ( 2.538 1.757 1.100) 3.278 8.534 ( 5.107 -5.977 6.391) 10.132 8.765 ( -0.142 -4.447 0.416) 4.469 8.806 ( 2.801 -6.383 1.142) 7.063 9.272 ( 12.154 8.165 -7.028) 16.241 9.659 ( -6.574 1.554 -8.084) 10.535 9.859 ( -12.473 -18.398 -15.083) 26.862 9.968 ( 2.710 0.070 0.809) 2.829 10.509 ( -1.513 -1.867 2.631) 3.563 10.743 ( 8.194 6.893 4.560) 11.639 11.295 ( -0.617 -4.343 0.701) 4.442 11.426 ( 4.377 4.907 0.879) 6.634 11.600 ( -2.336 -1.556 0.649) 2.881 11.616 ( -3.167 -0.452 -7.160) 7.842 12.168 ( 1.398 1.930 -1.145) 2.644 12.516 ( -12.469 6.469 -5.391) 15.046 12.752 ( 6.168 14.082 -2.143) 15.522 13.310 ( -3.838 -13.151 0.238) 13.702 13.443 ( -0.828 -16.773 -12.529) 20.952 13.562 ( -7.623 2.108 -0.143) 7.910 14.441 ( 15.773 18.325 7.613) 25.349 14.884 ( -0.931 2.475 1.879) 3.244 15.344 ( -0.161 2.911 -2.149) 3.622 15.545 ( 0.382 9.843 9.320) 13.561 15.684 ( 2.277 -4.285 0.333) 4.863 16.059 ( -1.904 -4.906 -5.609) 7.691 16.809 ( -6.632 1.400 12.416) 14.146 17.152 ( 2.552 -0.214 0.335) 2.583 18.650 ( -10.728 9.722 6.854) 16.018 18.769 ( -11.435 9.642 1.493) 15.032 19.066 ( 2.620 1.170 5.131) 5.879 19.133 ( -0.627 -1.267 1.620) 2.150 19.453 ( 1.981 0.011 2.449) 3.150 19.620 ( 1.079 -0.081 -0.275) 1.117 19.658 ( -1.412 0.842 -0.501) 1.719 19.912 ( -6.681 -13.934 -9.346) 18.059 20.409 ( -2.561 -6.727 1.235) 7.303 20.490 ( -0.201 3.962 -2.690) 4.793 20.584 ( -3.817 -3.190 -4.951) 7.018 20.643 ( 0.257 0.725 0.869) 1.161 20.809 ( 6.769 -1.836 1.988) 7.290 20.871 ( 0.924 -1.726 1.672) 2.575 20.922 ( 3.322 -2.071 4.057) 5.638 21.277 ( 12.962 7.527 10.780) 18.463 21.526 ( 1.134 0.881 -0.355) 1.479 21.575 ( -8.777 -4.378 6.781) 11.925 21.864 ( 18.709 5.416 -23.562) 30.570 22.066 ( 0.130 -4.939 -6.367) 8.060 22.783 ( 4.880 0.426 -2.800) 5.642 22.979 ( -9.349 -19.492 -15.768) 26.758 23.533 ( 0.039 1.017 -2.047) 2.286 24.042 ( 1.279 18.750 24.197) 30.638 26.726 ( 1.440 -4.330 2.278) 5.100 26.815 ( 1.902 -0.758 6.064) 6.400 28.014 ( -3.899 0.788 -5.037) 6.418 28.193 ( -1.652 -1.283 -1.192) 2.407 31.861 ( -0.155 1.304 1.308) 1.853 31.934 ( -1.629 0.217 -0.443) 1.702 31.988 ( 2.747 1.842 -1.413) 3.597 32.027 ( -3.355 -1.378 -1.790) 4.045 35.637 ( 0.294 -2.071 -0.265) 2.109 35.716 ( 5.284 -2.379 -0.218) 5.799 36.087 ( -0.188 0.072 0.533) 0.570 37.901 ( 24.832 -13.132 -78.479) 83.355 39.094 ( -0.345 -0.351 0.373) 0.618 39.342 ( -2.234 4.625 8.203) 9.678 39.800 ( 1.759 -0.429 -1.953) 2.663 40.126 ( 1.031 -0.727 1.094) 1.670 41.328 ( 5.288 0.494 -7.420) 9.125 41.594 ( -2.385 -2.143 -6.124) 6.912 41.752 ( 0.098 -6.828 -6.781) 9.624 41.808 ( 2.588 0.125 -3.732) 4.543 42.246 ( 9.215 -4.276 6.851) 12.253 43.234 ( -52.591 34.217 156.438) 168.551 44.906 ( -2.860 2.399 -18.521) 18.894 45.333 ( -12.145 -3.905 17.463) 21.627 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 3.680 -18.415 20.505) 27.805 1.244 ( 7.981 -11.265 29.044) 32.158 2.257 ( 19.541 -7.242 9.760) 23.012 2.330 ( 13.898 -8.417 4.372) 16.826 2.846 ( -6.572 5.646 -0.097) 8.664 3.017 ( 2.462 -1.450 1.933) 3.450 3.151 ( 3.994 1.979 8.951) 9.999 3.469 ( -0.909 0.321 6.043) 6.119 3.627 ( 1.748 9.134 -3.085) 9.799 3.717 ( 2.613 -9.734 -9.627) 13.938 3.756 ( -0.659 -7.029 -0.868) 7.113 3.971 ( 4.824 -5.988 -5.483) 9.444 4.150 ( 3.530 0.751 2.804) 4.570 4.477 ( -3.560 -9.541 -4.237) 11.030 4.626 ( -11.560 -5.642 -10.665) 16.710 4.820 ( 5.990 -8.895 -11.174) 15.487 5.170 ( 1.447 6.404 7.365) 9.867 5.532 ( 4.403 8.379 -4.510) 10.485 5.641 ( -3.533 5.232 -3.857) 7.398 5.839 ( 1.263 7.041 2.162) 7.473 5.994 ( 5.951 -12.708 -11.533) 18.163 6.157 ( 13.725 -11.952 -2.925) 18.433 6.303 ( 2.536 4.396 0.364) 5.088 6.474 ( 8.605 -3.363 2.120) 9.479 6.745 ( 1.647 0.020 10.102) 10.235 7.112 ( 0.883 -1.803 3.256) 3.825 7.144 ( -8.522 -9.178 12.377) 17.608 7.288 ( -4.181 -5.188 4.246) 7.901 7.521 ( -0.331 -1.910 -11.060) 11.228 7.546 ( 6.918 5.459 -9.813) 13.189 7.978 ( 0.386 3.125 -1.742) 3.598 8.078 ( -0.655 -2.193 -1.800) 2.912 8.442 ( 2.737 2.651 0.820) 3.897 8.724 ( 6.626 -3.675 6.625) 10.065 8.834 ( 0.138 -4.836 1.334) 5.018 8.912 ( -0.375 -4.839 4.147) 6.384 9.279 ( 4.703 2.184 -2.537) 5.773 9.457 ( -10.057 3.184 -9.173) 13.979 9.823 ( -8.940 -7.780 -3.461) 12.347 10.010 ( 4.939 1.581 0.976) 5.277 10.539 ( -1.542 -0.564 6.454) 6.660 10.779 ( 1.389 0.661 -0.741) 1.708 11.280 ( 3.461 6.503 -2.605) 7.813 11.446 ( -12.742 -3.302 -1.236) 13.221 11.503 ( -2.353 -0.490 8.854) 9.175 11.652 ( 12.106 7.261 -1.307) 14.177 12.071 ( -6.358 5.796 -4.193) 9.571 12.178 ( -13.863 11.069 -5.070) 18.450 12.678 ( 7.852 7.373 -3.260) 11.253 13.289 ( -7.707 3.985 -6.735) 10.984 13.476 ( -5.589 -13.551 2.512) 14.872 13.695 ( 8.394 -16.598 -5.832) 19.492 14.472 ( 8.481 6.129 -1.724) 10.605 14.813 ( -1.465 6.352 -0.396) 6.531 15.290 ( 0.368 2.762 -2.662) 3.853 15.500 ( -0.048 5.019 3.656) 6.210 15.754 ( 2.357 -2.451 -2.374) 4.147 16.049 ( 0.706 -0.440 -4.481) 4.558 16.795 ( -3.596 0.843 5.460) 6.592 17.177 ( 2.664 1.974 -1.454) 3.620 18.431 ( -12.572 8.276 9.500) 17.799 18.550 ( -9.129 10.873 11.727) 18.414 19.116 ( 1.039 -2.135 -1.033) 2.589 19.160 ( 1.265 0.854 6.438) 6.616 19.480 ( -0.453 1.031 1.687) 2.029 19.618 ( -2.698 -0.813 -0.950) 2.974 19.638 ( 0.974 -0.223 0.225) 1.024 19.964 ( 0.535 -8.441 -3.990) 9.352 20.420 ( 0.882 3.081 -3.630) 4.842 20.444 ( -2.177 -1.006 -0.300) 2.417 20.516 ( -7.260 -3.526 -4.782) 9.381 20.643 ( 0.415 1.321 1.325) 1.917 20.889 ( 5.406 0.915 -2.613) 6.074 20.924 ( 0.442 -2.402 3.089) 3.938 21.012 ( 2.923 -1.000 2.427) 3.929 21.392 ( 0.966 1.850 4.703) 5.146 21.569 ( 0.747 -1.993 3.763) 4.323 21.632 ( 3.947 -5.528 6.400) 9.333 21.909 ( 10.954 0.115 -4.933) 12.014 22.063 ( -1.574 -3.377 -5.853) 6.938 22.820 ( 5.099 0.455 -3.542) 6.226 22.996 ( -4.646 -9.493 -5.585) 11.954 23.504 ( 0.519 0.568 -3.588) 3.670 23.983 ( 0.937 8.679 3.472) 9.394 26.837 ( 2.454 -5.361 3.787) 7.007 26.924 ( 3.936 -3.745 5.082) 7.439 27.898 ( -4.641 2.063 -6.427) 8.191 28.156 ( -1.109 2.289 -2.461) 3.539 31.845 ( -1.386 1.591 2.165) 3.023 31.924 ( -0.393 -0.567 0.181) 0.713 31.945 ( -1.529 3.350 -1.125) 3.851 32.010 ( -0.461 -0.399 -0.507) 0.793 35.661 ( 0.582 -1.444 -0.428) 1.615 35.852 ( 7.688 -5.219 -0.192) 9.294 36.087 ( -0.750 -0.338 0.612) 1.026 37.786 ( 7.544 -2.786 -35.588) 36.485 39.083 ( -1.907 0.714 0.420) 2.079 39.337 ( 0.039 0.153 4.044) 4.047 39.786 ( -0.355 1.513 -3.300) 3.647 40.183 ( 2.964 -2.414 1.643) 4.160 41.349 ( 1.761 -3.166 -3.300) 4.900 41.565 ( -0.970 -0.089 -0.501) 1.095 41.746 ( -0.348 1.808 -0.948) 2.071 41.817 ( 1.672 -2.116 -5.747) 6.349 42.533 ( 13.363 -7.617 8.632) 17.638 43.291 ( -21.449 12.894 69.119) 73.510 44.668 ( -4.387 4.167 -21.105) 21.955 45.330 ( -9.702 1.453 15.471) 18.319 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 2.069 -11.397 14.951) 18.913 1.554 ( 1.466 -4.530 13.588) 14.398 2.269 ( 5.291 5.065 3.450) 8.097 2.576 ( -5.439 6.886 -6.315) 10.811 2.859 ( 4.410 -8.541 5.794) 11.223 3.027 ( 3.789 6.351 1.049) 7.469 3.266 ( 3.778 1.050 13.966) 14.506 3.506 ( -0.573 0.392 1.954) 2.073 3.588 ( 7.844 5.725 3.775) 10.419 3.742 ( -5.943 -8.024 -9.509) 13.789 3.843 ( 1.453 -6.713 -1.715) 7.079 4.053 ( 3.790 -5.100 -6.847) 9.341 4.171 ( 0.483 0.436 0.151) 0.668 4.422 ( -4.900 -1.782 -6.826) 8.590 4.682 ( -1.009 -13.368 4.103) 14.020 4.894 ( -0.483 -6.579 -3.955) 7.691 5.141 ( 4.256 7.336 -0.620) 8.504 5.484 ( -2.461 4.156 -7.056) 8.551 5.534 ( 8.572 5.197 1.822) 10.188 5.820 ( 0.361 4.549 8.952) 10.048 6.018 ( -3.327 -5.355 -15.872) 17.078 6.285 ( 2.694 -0.711 2.073) 3.473 6.459 ( 7.792 -6.243 -5.567) 11.431 6.743 ( 8.125 -3.975 -1.966) 9.257 6.812 ( 7.343 -9.137 6.327) 13.321 7.120 ( -0.227 -2.327 7.468) 7.825 7.250 ( -3.672 -1.755 4.944) 6.404 7.339 ( -3.687 -5.592 -0.858) 6.753 7.498 ( 5.688 4.293 -7.203) 10.132 7.570 ( 8.201 -7.795 -3.808) 11.938 7.896 ( -3.825 6.047 0.689) 7.188 8.116 ( 1.677 -1.981 0.861) 2.735 8.437 ( 0.241 1.531 0.537) 1.640 8.818 ( -1.623 -1.828 2.875) 3.774 8.891 ( 1.913 0.205 3.412) 3.917 9.051 ( 4.534 -5.540 6.952) 9.980 9.183 ( -8.698 4.920 -9.632) 13.879 9.322 ( 0.487 -1.640 -2.129) 2.732 9.778 ( -5.345 -2.390 -0.743) 5.902 10.060 ( 2.930 0.121 0.294) 2.947 10.564 ( -0.470 3.480 6.789) 7.643 10.719 ( -5.012 2.118 -3.007) 6.217 11.220 ( 5.452 8.554 -2.736) 10.506 11.295 ( -11.388 0.629 3.271) 11.865 11.550 ( -5.121 -3.018 8.586) 10.442 11.657 ( 7.439 8.296 -7.629) 13.505 11.889 ( -5.175 3.616 0.387) 6.325 11.915 ( -6.580 3.691 -5.725) 9.471 12.714 ( 6.648 0.818 0.007) 6.699 13.092 ( -5.240 4.369 -7.332) 10.016 13.638 ( -1.995 -14.648 3.929) 15.297 13.941 ( 8.554 -7.582 -4.383) 12.242 14.456 ( 0.412 1.260 -1.743) 2.190 14.720 ( 1.128 6.376 -2.274) 6.863 15.249 ( 0.142 1.716 -1.584) 2.339 15.475 ( -0.002 1.760 1.307) 2.192 15.760 ( 0.430 0.422 -3.030) 3.089 16.030 ( 0.894 0.949 -2.149) 2.513 16.782 ( -1.774 0.237 2.450) 3.034 17.143 ( 0.576 3.475 -2.230) 4.168 18.303 ( -6.780 2.910 7.392) 10.444 18.447 ( -4.415 5.834 11.293) 13.456 19.132 ( -0.544 -1.426 -0.249) 1.547 19.238 ( 4.156 -1.016 3.840) 5.749 19.427 ( -4.346 2.686 0.361) 5.122 19.608 ( -0.676 -1.137 -0.484) 1.409 19.655 ( 0.689 -0.288 0.273) 0.795 20.071 ( 3.123 -7.216 -0.599) 7.885 20.355 ( -0.558 4.253 -4.197) 6.001 20.398 ( 1.542 4.787 -1.544) 5.261 20.444 ( -8.655 -5.303 -1.685) 10.289 20.635 ( 0.072 1.646 0.998) 1.926 20.920 ( 3.386 -0.816 -2.783) 4.458 20.967 ( -0.410 -0.921 2.417) 2.619 21.055 ( 1.583 -0.022 0.587) 1.689 21.379 ( -0.940 1.603 1.285) 2.259 21.640 ( -0.819 -3.976 5.365) 6.727 21.752 ( 4.877 1.270 -0.906) 5.120 22.029 ( -4.266 -5.146 1.389) 6.827 22.075 ( 9.652 -1.542 -0.954) 9.821 22.845 ( 2.643 0.149 -1.857) 3.233 23.013 ( -2.110 -4.143 -1.806) 4.988 23.485 ( 0.646 -0.200 -3.082) 3.156 23.912 ( 0.544 4.401 -1.825) 4.795 26.957 ( 2.556 -3.657 3.772) 5.843 27.054 ( 2.846 -3.985 3.603) 6.080 27.771 ( -3.607 2.248 -5.172) 6.695 28.086 ( -1.050 2.638 -2.980) 4.116 31.828 ( -1.232 0.454 1.659) 2.116 31.873 ( -1.942 2.483 -0.370) 3.174 31.943 ( 1.130 -0.304 0.892) 1.471 32.001 ( -0.541 0.138 -0.906) 1.064 35.681 ( 0.575 -0.830 -0.303) 1.054 36.001 ( 5.525 -4.235 -0.095) 6.963 36.086 ( -0.582 -0.198 0.416) 0.742 37.672 ( 2.068 -0.055 -16.076) 16.209 39.043 ( -2.171 1.139 0.112) 2.454 39.396 ( 2.284 -2.158 3.177) 4.469 39.714 ( -2.218 2.680 -3.235) 4.751 40.262 ( 2.573 -2.158 1.099) 3.534 41.397 ( 0.369 -4.305 -1.151) 4.472 41.557 ( 0.010 0.594 0.331) 0.680 41.704 ( 0.115 3.428 -0.305) 3.443 41.818 ( 0.572 -1.179 -3.287) 3.539 42.835 ( 10.470 -6.263 5.337) 13.317 43.360 ( -9.353 5.026 33.480) 35.123 44.425 ( -3.657 3.485 -15.954) 16.734 45.289 ( -6.376 2.108 8.689) 10.982 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 -0.000 0.000) 0.000 1.632 ( 0.000 -0.000 -0.000) 0.000 2.298 ( 0.000 -0.000 0.000) 0.000 2.442 ( 0.000 -0.000 0.000) 0.000 2.934 ( 0.000 -0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 -0.000 0.000) 0.000 3.524 ( 0.000 -0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.662 ( -0.000 -0.000 -0.000) 0.000 3.898 ( 0.000 -0.000 0.000) 0.000 4.085 ( 0.000 -0.000 0.000) 0.000 4.170 ( 0.000 -0.000 0.000) 0.000 4.380 ( 0.000 -0.000 0.000) 0.000 4.787 ( 0.000 -0.000 0.000) 0.000 4.987 ( 0.000 -0.000 0.000) 0.000 5.048 ( 0.000 -0.000 0.000) 0.000 5.423 ( 0.000 -0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 -0.000 -0.000) 0.000 5.925 ( 0.000 -0.000 0.000) 0.000 6.328 ( 0.000 -0.000 0.000) 0.000 6.524 ( 0.000 -0.000 -0.000) 0.000 6.726 ( 0.000 -0.000 0.000) 0.000 7.018 ( 0.000 -0.000 0.000) 0.000 7.235 ( 0.000 -0.000 0.000) 0.000 7.258 ( 0.000 -0.000 -0.000) 0.000 7.309 ( 0.000 -0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.741 ( 0.000 -0.000 0.000) 0.000 7.766 ( -0.000 0.000 0.000) 0.000 8.143 ( 0.000 -0.000 0.000) 0.000 8.430 ( 0.000 -0.000 -0.000) 0.000 8.854 ( 0.000 -0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 8.982 ( -0.000 -0.000 -0.000) 0.000 9.197 ( 0.000 -0.000 0.000) 0.000 9.324 ( 0.000 -0.000 0.000) 0.000 9.754 ( 0.000 -0.000 0.000) 0.000 10.074 ( 0.000 -0.000 0.000) 0.000 10.540 ( 0.000 -0.000 0.000) 0.000 10.654 ( 0.000 -0.000 -0.000) 0.000 11.182 ( -0.000 -0.000 0.000) 0.000 11.234 ( 0.000 0.000 -0.000) 0.000 11.575 ( 0.000 0.000 -0.000) 0.000 11.597 ( -0.000 -0.000 0.000) 0.000 11.824 ( -0.000 -0.000 -0.000) 0.000 11.858 ( 0.000 0.000 0.000) 0.000 12.772 ( 0.000 -0.000 0.000) 0.000 12.987 ( 0.000 -0.000 0.000) 0.000 13.767 ( 0.000 -0.000 0.000) 0.000 13.995 ( 0.000 -0.000 0.000) 0.000 14.468 ( 0.000 -0.000 0.000) 0.000 14.660 ( 0.000 0.000 -0.000) 0.000 15.233 ( 0.000 -0.000 0.000) 0.000 15.470 ( 0.000 -0.000 0.000) 0.000 15.743 ( 0.000 -0.000 -0.000) 0.000 16.021 ( 0.000 -0.000 -0.000) 0.000 16.779 ( 0.000 -0.000 0.000) 0.000 17.110 ( 0.000 -0.000 -0.000) 0.000 18.272 ( 0.000 -0.000 0.000) 0.000 18.430 ( 0.000 -0.000 0.000) 0.000 19.137 ( 0.000 -0.000 0.000) 0.000 19.333 ( -0.000 0.000 -0.000) 0.000 19.334 ( 0.000 -0.000 0.000) 0.000 19.609 ( 0.000 -0.000 -0.000) 0.000 19.662 ( -0.000 -0.000 -0.000) 0.000 20.171 ( 0.000 -0.000 0.000) 0.000 20.268 ( 0.000 -0.000 0.000) 0.000 20.374 ( 0.000 -0.000 0.000) 0.000 20.414 ( -0.000 -0.000 -0.000) 0.000 20.627 ( 0.000 -0.000 -0.000) 0.000 20.943 ( 0.000 -0.000 0.000) 0.000 20.975 ( -0.000 -0.000 0.000) 0.000 21.066 ( 0.000 -0.000 0.000) 0.000 21.367 ( 0.000 -0.000 -0.000) 0.000 21.696 ( 0.000 -0.000 0.000) 0.000 21.749 ( 0.000 0.000 -0.000) 0.000 22.029 ( 0.000 0.000 -0.000) 0.000 22.165 ( 0.000 -0.000 0.000) 0.000 22.855 ( 0.000 -0.000 0.000) 0.000 23.019 ( 0.000 -0.000 0.000) 0.000 23.479 ( 0.000 -0.000 0.000) 0.000 23.878 ( 0.000 -0.000 0.000) 0.000 27.017 ( 0.000 -0.000 0.000) 0.000 27.115 ( 0.000 -0.000 0.000) 0.000 27.709 ( 0.000 -0.000 -0.000) 0.000 28.047 ( 0.000 -0.000 0.000) 0.000 31.826 ( 0.000 -0.000 -0.000) 0.000 31.840 ( 0.000 -0.000 0.000) 0.000 31.963 ( 0.000 -0.000 0.000) 0.000 31.987 ( 0.000 -0.000 0.000) 0.000 35.689 ( 0.000 -0.000 0.000) 0.000 36.066 ( 0.000 -0.000 0.000) 0.000 36.085 ( 0.000 0.000 0.000) 0.000 37.625 ( 0.000 -0.000 -0.000) 0.000 39.020 ( 0.000 -0.000 0.000) 0.000 39.451 ( 0.000 -0.000 -0.000) 0.000 39.657 ( 0.000 -0.000 0.000) 0.000 40.298 ( 0.000 -0.000 0.000) 0.000 41.428 ( 0.000 -0.000 0.000) 0.000 41.554 ( 0.000 -0.000 0.000) 0.000 41.678 ( 0.000 -0.000 0.000) 0.000 41.817 ( 0.000 -0.000 0.000) 0.000 42.969 ( 0.000 -0.000 0.000) 0.000 43.395 ( 0.000 -0.000 0.000) 0.000 44.311 ( 0.000 -0.000 -0.000) 0.000 45.263 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 10.420 -0.000 43.044) 44.288 1.207 ( 37.928 -0.000 13.926) 40.404 1.677 ( 39.623 -0.000 30.100) 49.759 2.695 ( 1.025 -0.000 3.662) 3.803 2.775 ( 6.904 -0.000 2.834) 7.463 2.918 ( 8.900 -0.000 -4.550) 9.996 3.201 ( 3.349 -0.000 7.655) 8.356 3.535 ( 0.971 -0.000 -8.871) 8.924 3.558 ( -4.174 0.000 8.216) 9.216 3.596 ( 3.372 -0.000 -2.746) 4.349 3.829 ( 2.965 -0.000 4.584) 5.459 3.847 ( 3.296 -0.000 -10.996) 11.480 4.213 ( -9.792 0.000 -5.727) 11.344 4.255 ( 9.237 -0.000 4.773) 10.398 4.554 ( -9.479 0.000 -19.365) 21.561 4.706 ( 6.495 -0.000 -8.548) 10.736 5.270 ( 4.478 -0.000 15.200) 15.846 5.634 ( 1.556 -0.000 -23.384) 23.435 5.736 ( 0.822 -0.000 0.406) 0.917 5.817 ( 4.635 -0.000 -3.025) 5.535 5.905 ( 0.827 -0.000 -8.304) 8.345 6.032 ( 13.988 -0.000 -7.667) 15.951 6.437 ( 3.489 -0.000 10.969) 11.510 6.452 ( 0.711 -0.000 -4.590) 4.645 6.710 ( -1.615 0.000 14.190) 14.282 6.973 ( 5.975 -0.000 10.255) 11.869 7.105 ( -8.498 0.000 6.953) 10.980 7.203 ( -9.719 0.000 7.336) 12.177 7.505 ( -0.860 0.000 -8.115) 8.160 7.605 ( 3.022 -0.000 -11.349) 11.744 8.010 ( -3.402 0.000 -1.706) 3.806 8.039 ( 5.490 -0.000 -6.658) 8.630 8.539 ( 6.605 -0.000 -6.799) 9.479 8.625 ( 10.917 -0.000 8.251) 13.684 8.764 ( 1.299 -0.000 5.795) 5.939 8.774 ( 0.530 -0.000 3.942) 3.977 9.444 ( 8.828 -0.000 -15.479) 17.820 9.510 ( -10.402 0.000 -5.658) 11.841 9.574 ( -4.254 0.000 4.121) 5.923 10.074 ( 6.158 -0.000 5.432) 8.211 10.521 ( -0.450 0.000 7.052) 7.067 10.754 ( -5.426 0.000 -3.613) 6.519 11.250 ( -3.795 0.000 -3.749) 5.335 11.414 ( -8.328 0.000 2.872) 8.809 11.588 ( 7.342 -0.000 6.178) 9.595 11.802 ( 17.714 -0.000 -2.373) 17.872 12.153 ( -1.891 0.000 -4.524) 4.903 12.311 ( -14.889 0.000 -12.058) 19.160 12.939 ( -2.414 0.000 6.428) 6.867 13.137 ( 0.512 -0.000 -9.590) 9.604 13.301 ( 7.551 -0.000 -8.610) 11.452 13.482 ( -8.856 0.000 1.705) 9.018 14.597 ( 0.895 -0.000 -6.063) 6.129 14.910 ( -0.627 0.000 1.038) 1.213 15.326 ( -1.422 0.000 -4.007) 4.252 15.619 ( -7.635 0.000 4.902) 9.073 15.702 ( 5.280 -0.000 -0.939) 5.363 16.033 ( 4.186 -0.000 -3.223) 5.283 16.809 ( -7.024 0.000 9.596) 11.892 17.190 ( 2.920 -0.000 -0.013) 2.920 18.553 ( -17.642 0.000 7.351) 19.112 18.731 ( -13.396 0.000 12.482) 18.310 19.109 ( 0.691 -0.000 -1.298) 1.470 19.175 ( 1.007 -0.000 9.430) 9.484 19.494 ( 0.655 -0.000 3.130) 3.197 19.632 ( -3.013 0.000 -0.908) 3.147 19.696 ( 0.850 -0.000 -3.220) 3.330 19.705 ( 3.754 -0.000 0.735) 3.825 20.308 ( -6.604 0.000 -0.807) 6.654 20.462 ( -3.789 0.000 -2.491) 4.535 20.521 ( 1.434 -0.000 -3.715) 3.982 20.659 ( 0.447 -0.000 0.691) 0.823 20.886 ( 1.755 -0.000 2.139) 2.767 20.948 ( 5.173 -0.000 1.548) 5.400 21.031 ( 12.747 -0.000 2.744) 13.039 21.435 ( -2.162 0.000 7.153) 7.473 21.481 ( -1.869 0.000 1.740) 2.553 21.558 ( 2.974 -0.000 1.519) 3.339 21.904 ( 12.140 -0.000 -21.518) 24.706 21.992 ( 0.031 -0.000 -6.431) 6.431 22.819 ( 4.995 -0.000 0.777) 5.055 22.832 ( 4.443 -0.000 -4.013) 5.987 23.525 ( 0.149 -0.000 -2.410) 2.414 24.167 ( -8.211 0.000 4.358) 9.295 26.758 ( 3.671 -0.000 4.824) 6.062 26.890 ( 3.396 -0.000 6.904) 7.694 27.919 ( -5.019 0.000 -5.446) 7.406 28.177 ( 0.049 -0.000 -2.228) 2.228 31.886 ( 0.372 -0.000 2.012) 2.046 31.895 ( -2.899 0.000 -0.863) 3.024 31.985 ( -1.932 0.000 -0.080) 1.933 32.011 ( 0.911 -0.000 -2.195) 2.377 35.658 ( 3.758 -0.000 -0.104) 3.760 35.767 ( 6.791 -0.000 -2.050) 7.094 36.147 ( 4.871 -0.000 2.452) 5.453 37.682 ( 25.493 -0.000 -57.574) 62.966 39.098 ( 0.122 -0.000 0.800) 0.809 39.344 ( -3.039 0.000 -1.037) 3.211 39.784 ( -1.106 0.000 1.342) 1.739 40.135 ( -0.069 0.000 1.718) 1.719 41.317 ( 2.754 -0.000 -8.133) 8.587 41.566 ( -1.169 0.000 1.997) 2.315 41.713 ( 3.516 -0.000 -1.919) 4.005 41.836 ( 2.378 -0.000 -0.913) 2.547 42.433 ( 14.191 -0.000 11.199) 18.077 43.637 ( -62.762 0.000 112.725) 129.019 44.710 ( -5.059 0.000 -23.613) 24.149 45.268 ( -9.353 0.000 13.410) 16.349 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 12.332 2.933 36.081) 38.243 1.626 ( 22.238 12.786 20.784) 33.015 2.383 ( 18.416 -17.480 4.093) 25.719 2.613 ( 9.273 15.831 6.218) 19.372 2.872 ( -1.997 3.348 2.546) 4.656 3.047 ( 7.267 -5.210 2.693) 9.338 3.314 ( 3.224 2.920 11.477) 12.274 3.484 ( -0.889 -3.072 -6.659) 7.387 3.546 ( -1.209 -0.735 0.521) 1.508 3.689 ( -0.563 -6.213 3.997) 7.408 3.764 ( 6.893 5.426 -8.757) 12.395 3.930 ( 6.499 -2.917 -4.218) 8.279 4.112 ( -6.269 -5.027 -0.406) 8.046 4.343 ( -5.851 -3.668 -13.710) 15.351 4.419 ( 7.803 -3.592 2.816) 9.040 4.739 ( 6.875 -4.689 -13.810) 16.124 5.343 ( 4.618 11.001 -0.808) 11.958 5.618 ( 6.310 -3.380 1.385) 7.291 5.663 ( -0.592 5.162 -6.476) 8.303 5.828 ( 3.928 -3.542 -14.248) 15.198 5.924 ( 7.205 -1.367 -5.189) 8.984 6.225 ( 19.308 -4.608 -6.149) 20.781 6.391 ( 1.014 4.906 1.248) 5.163 6.543 ( 3.914 -1.092 4.730) 6.236 6.827 ( -1.197 -4.051 14.119) 14.738 7.018 ( -12.569 -0.366 11.039) 16.733 7.128 ( -0.991 -6.735 2.859) 7.384 7.189 ( -4.190 -3.776 7.737) 9.575 7.476 ( 5.555 0.368 -5.668) 7.945 7.570 ( 3.282 -0.205 -7.367) 8.067 7.985 ( -0.251 0.298 -1.845) 1.886 8.064 ( 6.100 -0.230 -6.099) 8.629 8.521 ( 6.692 3.805 -10.602) 13.102 8.763 ( 0.395 -3.489 -2.213) 4.151 8.854 ( 2.606 -1.477 7.998) 8.541 8.921 ( 6.816 -3.073 15.839) 17.515 9.312 ( -7.974 3.165 -8.138) 11.825 9.380 ( 0.076 6.941 0.326) 6.949 9.620 ( -6.209 -8.677 2.709) 11.008 10.154 ( 5.481 4.810 3.772) 8.210 10.586 ( -0.462 -0.502 10.912) 10.934 10.680 ( -4.951 -3.957 -4.956) 8.045 11.135 ( -9.659 -3.851 -8.668) 13.537 11.373 ( -8.475 -2.120 5.104) 10.118 11.663 ( 5.842 8.716 5.646) 11.915 11.920 ( 10.072 10.959 -8.176) 16.982 12.021 ( -12.865 4.427 -1.797) 13.724 12.076 ( 1.375 3.288 -4.399) 5.662 12.798 ( -4.398 5.890 -3.263) 8.043 13.201 ( -1.150 -7.788 -2.445) 8.243 13.266 ( 0.942 1.165 -8.852) 8.978 13.602 ( 8.847 -15.504 2.184) 17.984 14.535 ( 0.816 3.042 -7.753) 8.369 14.869 ( -1.383 3.911 -0.703) 4.207 15.271 ( -2.052 0.108 -4.041) 4.534 15.532 ( -5.190 2.350 1.349) 5.855 15.751 ( 2.801 -0.780 -3.336) 4.425 16.046 ( 2.451 0.286 -4.852) 5.443 16.785 ( -4.672 0.088 4.640) 6.585 17.196 ( -0.488 0.765 -2.807) 2.950 18.387 ( -14.851 2.889 11.785) 19.178 18.643 ( -11.327 6.218 18.690) 22.722 19.112 ( 1.618 0.103 -0.978) 1.893 19.247 ( 1.766 0.855 7.621) 7.870 19.501 ( -1.517 2.587 1.717) 3.456 19.590 ( -1.423 0.221 0.969) 1.736 19.660 ( 0.863 1.132 -0.766) 1.616 19.844 ( 2.871 -8.913 -0.228) 9.367 20.223 ( -10.860 -6.760 -4.276) 13.487 20.413 ( -1.254 0.129 -2.010) 2.372 20.509 ( 1.430 2.262 -1.918) 3.292 20.668 ( -0.329 0.036 1.669) 1.701 20.932 ( 2.395 -0.872 1.147) 2.794 20.977 ( 1.190 2.177 1.151) 2.735 21.122 ( 7.838 6.677 -1.419) 10.394 21.430 ( -1.523 1.863 2.232) 3.282 21.537 ( -1.592 -5.260 3.521) 6.527 21.679 ( 7.418 -5.541 5.175) 10.607 21.899 ( -2.792 -2.798 -2.272) 4.559 21.985 ( 7.102 -3.861 -12.600) 14.970 22.852 ( 4.177 0.258 -4.269) 5.978 22.928 ( 7.267 -1.952 0.429) 7.537 23.509 ( 1.712 1.113 -2.539) 3.258 24.056 ( -3.431 4.989 -2.552) 6.571 26.871 ( 4.811 -2.300 6.144) 8.135 27.003 ( 5.781 -0.629 6.624) 8.814 27.810 ( -4.706 0.800 -5.886) 7.578 28.133 ( -1.850 0.981 -4.706) 5.150 31.847 ( -2.545 0.906 0.282) 2.717 31.912 ( -0.591 -0.507 1.654) 1.828 31.948 ( -1.843 1.398 -0.061) 2.314 31.998 ( -0.801 -0.256 -1.453) 1.678 35.704 ( 5.225 2.095 0.138) 5.631 35.858 ( 5.269 -4.557 -2.945) 7.563 36.227 ( 10.948 6.913 4.276) 13.636 37.601 ( 10.321 -4.176 -35.400) 37.110 39.092 ( -0.279 2.110 0.479) 2.182 39.321 ( -0.696 -2.911 -1.434) 3.319 39.767 ( -2.575 1.376 0.723) 3.008 40.165 ( -0.721 -3.813 1.681) 4.229 41.309 ( 1.241 -1.905 -3.760) 4.394 41.564 ( -0.946 -0.264 1.170) 1.527 41.750 ( 3.617 1.021 -0.670) 3.817 41.849 ( 2.557 1.705 -0.726) 3.158 42.729 ( 15.871 -2.173 11.373) 19.645 43.595 ( -30.914 10.300 63.312) 71.205 44.461 ( -7.332 -0.177 -21.859) 23.056 45.238 ( -13.656 -4.331 9.001) 16.919 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 9.616 5.601 28.202) 30.318 1.759 ( 10.878 15.466 10.914) 21.832 2.519 ( 7.616 8.194 -0.764) 11.212 2.581 ( -0.629 9.210 -2.131) 9.474 2.841 ( -0.621 0.522 3.378) 3.474 3.132 ( -0.278 2.976 -2.153) 3.683 3.324 ( -1.973 -1.939 -0.858) 2.896 3.443 ( -10.479 -6.661 -13.155) 18.089 3.561 ( 5.172 0.397 1.391) 5.371 3.779 ( 5.377 0.833 3.973) 6.737 3.847 ( 8.455 -0.538 7.836) 11.540 4.027 ( 8.553 -2.870 -4.681) 10.164 4.142 ( -3.023 -4.645 2.801) 6.209 4.324 ( 1.617 -4.354 -1.206) 4.798 4.601 ( 3.879 -9.811 6.166) 12.220 4.783 ( 4.338 -6.065 -13.316) 15.261 5.258 ( 5.741 7.081 -7.525) 11.821 5.494 ( -1.608 6.405 -6.329) 9.147 5.656 ( 0.119 4.390 -6.174) 7.576 5.928 ( 14.807 0.538 -6.574) 16.209 5.955 ( 4.815 3.294 2.323) 6.279 6.347 ( 2.072 2.248 5.366) 6.175 6.468 ( 6.378 -1.549 -0.135) 6.565 6.762 ( 13.586 -10.765 -2.831) 17.564 6.834 ( -7.541 3.230 9.142) 12.283 7.097 ( -0.674 -11.079 11.773) 16.180 7.157 ( -10.123 -7.936 3.138) 13.240 7.261 ( 3.708 -1.404 -0.589) 4.009 7.558 ( 5.299 2.632 -7.656) 9.676 7.579 ( 8.459 -4.090 -0.164) 9.397 7.924 ( -3.530 5.230 -0.230) 6.314 8.133 ( 4.700 -4.066 -1.713) 6.446 8.473 ( 7.105 4.830 -11.924) 14.696 8.751 ( -4.399 -1.964 -0.594) 4.854 8.929 ( -1.352 -2.394 2.797) 3.922 9.103 ( -0.001 5.375 2.351) 5.866 9.189 ( 4.832 1.413 9.959) 11.159 9.312 ( -2.552 0.925 1.349) 3.031 9.671 ( -3.458 -6.650 3.094) 8.109 10.152 ( 1.770 5.791 2.372) 6.503 10.611 ( -5.825 0.864 -3.443) 6.822 10.661 ( -0.040 0.504 7.602) 7.619 10.998 ( -12.020 -5.944 -6.476) 14.891 11.287 ( -13.928 -3.762 3.364) 14.814 11.565 ( -3.960 8.169 -1.912) 9.278 11.785 ( 4.521 6.133 -11.512) 13.805 11.872 ( -2.480 5.821 5.772) 8.564 12.072 ( 12.497 12.868 0.257) 17.940 12.740 ( -1.924 -5.437 -1.058) 5.863 13.059 ( -1.144 9.932 -5.900) 11.609 13.470 ( 7.025 -17.041 -0.370) 18.436 13.925 ( 8.501 -12.351 2.113) 15.141 14.426 ( -2.153 3.255 -7.283) 8.262 14.790 ( -0.465 5.030 -2.114) 5.476 15.222 ( -2.659 -0.960 -2.590) 3.834 15.469 ( -3.091 0.154 -0.163) 3.099 15.740 ( -0.460 -0.292 -3.831) 3.869 16.023 ( 0.119 -0.027 -4.758) 4.759 16.763 ( -2.951 -0.844 1.776) 3.546 17.125 ( -4.802 0.794 -2.681) 5.557 18.296 ( -7.481 2.335 9.693) 12.465 18.564 ( -6.564 8.057 14.116) 17.529 19.133 ( 2.128 -0.188 -0.170) 2.143 19.313 ( 3.327 0.497 4.025) 5.245 19.425 ( -3.715 4.561 0.880) 5.948 19.602 ( -0.487 -0.835 3.009) 3.161 19.660 ( 0.236 -0.259 -0.636) 0.726 19.988 ( 1.979 -8.432 1.009) 8.720 20.145 ( -11.377 -8.798 -4.532) 15.079 20.389 ( -0.660 -0.001 -2.192) 2.289 20.483 ( 2.211 3.294 0.162) 3.970 20.665 ( -0.896 1.174 1.585) 2.167 20.967 ( 2.649 1.715 -0.515) 3.197 20.976 ( 0.391 -0.150 2.139) 2.180 21.107 ( 3.395 4.015 -2.244) 5.716 21.398 ( -0.854 2.089 0.524) 2.316 21.600 ( -2.204 -4.659 3.895) 6.461 21.798 ( 1.306 0.936 -2.585) 3.043 21.915 ( -1.894 -6.783 2.106) 7.351 22.074 ( 5.150 -6.586 -6.260) 10.445 22.867 ( 2.527 0.632 -2.143) 3.373 23.037 ( 8.384 1.099 0.372) 8.464 23.509 ( 3.177 1.810 -0.778) 3.738 23.943 ( -1.205 4.229 -3.794) 5.808 26.996 ( 3.927 -1.267 4.647) 6.215 27.128 ( 5.926 0.736 5.739) 8.283 27.713 ( -2.828 0.302 -3.948) 4.866 28.056 ( -2.293 0.563 -4.914) 5.452 31.816 ( -1.859 -0.191 0.308) 1.894 31.875 ( -1.933 2.078 -0.093) 2.840 31.950 ( -0.286 -0.818 1.393) 1.640 31.978 ( -1.511 -0.763 -1.100) 2.018 35.736 ( 5.251 3.405 -0.267) 6.264 35.950 ( 2.299 -4.355 -1.058) 5.037 36.300 ( 13.979 11.425 2.733) 18.259 37.552 ( 3.527 -5.649 -17.599) 18.817 39.056 ( 0.321 2.784 -0.149) 2.806 39.370 ( 0.644 -5.407 -1.910) 5.770 39.700 ( -3.693 2.871 1.005) 4.784 40.219 ( -2.188 -5.439 0.632) 5.897 41.341 ( 0.921 -3.943 -1.621) 4.362 41.567 ( -0.069 -0.612 0.085) 0.621 41.750 ( 1.841 4.978 0.670) 5.350 41.858 ( 2.905 2.139 1.084) 3.767 42.991 ( 11.519 1.343 7.781) 13.965 43.521 ( -13.731 9.345 25.586) 30.504 44.266 ( -6.757 -3.457 -9.467) 12.133 45.173 ( -13.006 -6.455 2.524) 14.738 ======================= Grid point 13 (9/114) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 1.447 10.230 -1.039) 10.384 1.798 ( 9.513 17.077 15.895) 25.195 2.462 ( 8.185 14.344 -6.197) 17.639 2.474 ( 3.519 3.252 -0.954) 4.885 2.859 ( -4.819 -4.494 4.016) 7.716 3.018 ( -2.155 2.657 -6.314) 7.181 3.254 ( -5.400 -2.019 -15.246) 16.299 3.353 ( -5.978 -5.744 0.526) 8.307 3.597 ( 3.145 2.406 -3.267) 5.134 3.859 ( 1.243 1.267 5.804) 6.070 3.990 ( 9.324 4.523 6.223) 12.088 4.121 ( 4.523 -0.359 0.245) 4.544 4.140 ( -3.843 -1.283 0.226) 4.058 4.423 ( 4.955 -1.543 5.036) 7.232 4.804 ( 4.068 -2.921 -7.322) 8.871 4.840 ( -0.987 -14.263 7.044) 15.938 5.148 ( 4.136 9.892 -9.842) 14.555 5.420 ( -2.403 -0.886 -3.056) 3.987 5.531 ( 0.453 5.232 -4.753) 7.083 5.895 ( 8.655 9.733 -8.884) 15.766 6.125 ( 9.993 3.982 12.542) 16.524 6.360 ( -1.300 4.282 4.751) 6.527 6.544 ( 2.566 -0.061 1.229) 2.846 6.719 ( -8.119 2.629 7.527) 11.379 6.996 ( 4.525 -4.838 -2.311) 7.016 7.142 ( -11.293 -4.843 5.042) 13.282 7.249 ( -3.050 0.456 3.825) 4.913 7.323 ( 4.749 -2.556 0.546) 5.421 7.514 ( 4.281 3.419 -7.488) 9.278 7.722 ( 1.668 -5.397 1.468) 5.837 7.775 ( -5.544 7.467 0.352) 9.307 8.195 ( 2.039 1.129 -1.704) 2.888 8.418 ( 6.465 2.473 -12.129) 13.965 8.751 ( -2.162 -6.116 -3.058) 7.171 8.924 ( 1.983 0.577 -2.029) 2.895 9.119 ( 5.997 2.251 11.007) 12.735 9.171 ( -6.105 3.034 -1.688) 7.023 9.381 ( 2.178 1.339 7.109) 7.555 9.753 ( 2.215 -3.587 3.067) 5.214 10.118 ( 0.140 3.270 3.405) 4.723 10.496 ( -1.856 1.256 -4.885) 5.375 10.659 ( -2.187 -0.782 0.062) 2.323 10.935 ( -9.734 -10.007 0.620) 13.974 11.263 ( -6.469 -8.114 6.127) 12.051 11.428 ( -4.704 -0.061 -5.296) 7.084 11.702 ( 2.952 0.734 -11.015) 11.427 11.900 ( 8.092 5.852 7.698) 12.609 12.055 ( 10.083 12.206 -0.052) 15.833 12.777 ( -3.039 3.330 0.315) 4.520 12.951 ( 1.724 -3.912 -0.647) 4.323 13.752 ( 8.012 -8.775 1.422) 11.967 14.043 ( 0.542 4.538 -0.148) 4.572 14.370 ( -4.503 -6.774 -2.410) 8.484 14.708 ( 0.276 5.063 -0.286) 5.079 15.195 ( -2.689 -2.404 -0.957) 3.732 15.439 ( -2.440 -1.209 -1.269) 3.004 15.726 ( -0.408 -2.074 -0.643) 2.209 15.997 ( -0.818 -1.779 -2.981) 3.566 16.759 ( -1.129 -1.723 -0.418) 2.102 17.057 ( -4.987 -2.564 -0.258) 5.613 18.262 ( -1.966 0.900 2.445) 3.264 18.471 ( -2.437 6.710 1.847) 7.374 19.159 ( 2.471 0.630 -0.413) 2.583 19.311 ( -4.589 4.042 -0.652) 6.149 19.384 ( 4.149 -0.293 0.915) 4.259 19.629 ( -0.441 0.341 2.968) 3.020 19.661 ( 0.516 -0.315 0.312) 0.680 20.067 ( -6.696 -7.347 -2.299) 10.203 20.148 ( -2.681 -9.462 2.105) 10.057 20.355 ( -1.665 1.391 0.396) 2.205 20.512 ( 5.155 0.192 0.849) 5.228 20.649 ( 0.031 1.724 1.564) 2.327 20.974 ( -0.993 0.385 1.327) 1.702 20.990 ( 3.034 2.418 0.546) 3.918 21.080 ( 1.176 2.231 -2.264) 3.389 21.371 ( 0.036 1.001 -0.866) 1.324 21.647 ( -3.799 -4.335 2.853) 6.431 21.742 ( -2.199 1.542 -3.480) 4.396 21.982 ( -0.549 -4.515 -1.104) 4.680 22.121 ( 0.063 -1.267 -4.897) 5.058 22.862 ( -0.015 1.501 -0.317) 1.534 23.114 ( 8.523 3.877 0.529) 9.378 23.529 ( 3.098 2.652 2.630) 4.853 23.877 ( -0.926 1.330 -1.105) 1.961 27.036 ( 0.948 2.813 -0.026) 2.969 27.182 ( 3.168 5.286 2.160) 6.530 27.706 ( 1.148 -2.717 1.726) 3.417 28.019 ( -1.077 -2.398 -1.530) 3.041 31.810 ( -0.499 -1.251 -0.645) 1.494 31.841 ( -0.369 0.389 -0.359) 0.645 31.940 ( -2.206 -0.552 -0.718) 2.384 31.985 ( -0.163 -1.205 0.987) 1.567 35.746 ( 4.153 3.989 -0.380) 5.771 36.001 ( 0.786 -0.520 1.082) 1.434 36.310 ( 10.634 13.468 -0.456) 17.167 37.593 ( 2.083 -6.349 -0.963) 6.751 39.046 ( 2.790 1.435 -0.352) 3.157 39.397 ( -2.089 -2.700 -4.703) 5.812 39.659 ( -1.726 -0.680 3.260) 3.750 40.237 ( -4.627 -4.005 -0.737) 6.164 41.400 ( 1.240 -4.106 -0.596) 4.330 41.579 ( 1.219 -0.544 -0.656) 1.487 41.689 ( -1.019 6.024 1.381) 6.264 41.885 ( 3.242 2.965 4.267) 6.125 43.036 ( -1.102 9.547 2.657) 9.971 43.377 ( -2.008 5.922 -9.196) 11.121 44.283 ( -2.510 -7.849 9.799) 12.803 45.132 ( -7.408 -9.692 -5.199) 13.260 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.004 14.498 -14.504) 20.508 1.732 ( 8.465 23.647 6.121) 25.852 2.282 ( 3.167 13.795 -6.338) 15.508 2.609 ( 7.384 -10.725 -4.511) 13.781 2.756 ( -9.722 7.334 -2.214) 12.378 3.049 ( 4.181 -1.974 6.239) 7.765 3.095 ( -2.327 2.433 -13.340) 13.758 3.367 ( -5.543 -7.125 -3.267) 9.601 3.548 ( 2.393 2.722 -4.563) 5.828 3.837 ( -6.242 2.901 6.172) 9.245 4.008 ( 5.367 8.221 -3.192) 10.323 4.121 ( -4.622 3.186 11.182) 12.512 4.158 ( 2.841 1.660 -2.990) 4.445 4.538 ( 2.549 -0.712 9.685) 10.040 4.824 ( 4.429 -0.560 -8.779) 9.849 5.002 ( 6.625 1.177 -3.612) 7.637 5.068 ( 0.282 2.757 11.899) 12.217 5.343 ( -7.081 -4.207 -3.968) 9.142 5.543 ( 4.869 -0.876 1.808) 5.267 5.810 ( 7.338 9.727 -6.311) 13.722 6.237 ( 1.258 1.523 5.095) 5.465 6.270 ( -2.907 9.554 5.899) 11.599 6.480 ( -8.270 7.987 3.787) 12.105 6.689 ( -2.751 -0.535 -0.339) 2.823 6.791 ( -18.552 17.393 -1.228) 25.460 7.093 ( 2.670 -1.855 -3.449) 4.740 7.285 ( -7.534 -6.648 13.588) 16.899 7.352 ( 5.162 3.877 -6.609) 9.239 7.489 ( 1.218 3.502 -6.684) 7.643 7.624 ( -3.231 5.689 9.344) 11.407 7.833 ( 0.510 -7.393 0.029) 7.410 8.147 ( -1.383 3.839 -1.376) 4.307 8.415 ( 7.383 -0.777 -11.501) 13.689 8.741 ( -4.247 -2.907 -4.027) 6.535 8.940 ( 3.962 3.304 -0.440) 5.177 9.008 ( -5.843 4.861 -3.845) 8.517 9.320 ( 6.072 0.095 7.927) 9.986 9.391 ( 2.834 0.668 5.879) 6.561 9.837 ( 2.695 -2.161 1.119) 3.631 10.118 ( 2.096 5.112 6.429) 8.477 10.493 ( 3.016 -3.533 -5.538) 7.228 10.678 ( -4.098 -5.938 -1.037) 7.289 11.019 ( -1.272 -11.777 4.624) 12.716 11.374 ( -10.599 -11.203 4.646) 16.107 11.391 ( 9.121 -4.303 -5.754) 11.611 11.670 ( 3.961 -0.362 -11.184) 11.870 12.007 ( 7.219 1.746 7.848) 10.805 12.048 ( 8.051 6.251 1.207) 10.264 12.628 ( -7.797 3.850 -0.996) 8.752 13.136 ( 7.957 -7.681 5.829) 12.502 13.809 ( 6.290 10.589 -5.892) 13.653 13.967 ( -6.023 4.170 5.939) 9.430 14.343 ( -11.169 -5.380 -0.279) 12.401 14.706 ( 2.815 -0.312 2.631) 3.866 15.203 ( -2.318 -3.893 0.584) 4.568 15.413 ( -2.734 -2.224 -2.578) 4.367 15.770 ( 0.538 -1.901 2.581) 3.250 16.020 ( 1.155 -3.196 0.990) 3.539 16.768 ( 0.559 -1.604 -2.250) 2.819 17.068 ( -3.224 -6.152 1.374) 7.080 18.263 ( 1.709 -2.945 -4.295) 5.481 18.392 ( 1.915 0.318 -7.276) 7.531 19.162 ( -0.459 0.857 -3.555) 3.685 19.204 ( -1.276 4.477 0.993) 4.760 19.445 ( 2.843 -1.428 -0.497) 3.220 19.619 ( -1.181 -0.093 -0.321) 1.228 19.685 ( 1.874 1.721 2.386) 3.488 20.046 ( -4.897 -3.292 -0.336) 5.910 20.255 ( -2.923 -9.026 3.212) 10.016 20.349 ( -1.450 -2.164 3.154) 4.091 20.588 ( 3.549 -1.434 -0.424) 3.851 20.661 ( 4.310 2.208 2.605) 5.499 20.947 ( -0.634 3.103 0.908) 3.295 20.995 ( 2.643 3.403 -0.178) 4.313 21.049 ( -0.448 1.481 -1.003) 1.844 21.357 ( -0.379 -0.499 -2.945) 3.011 21.622 ( -5.165 0.524 -1.651) 5.447 21.684 ( -2.363 -0.365 -2.130) 3.202 21.938 ( -7.901 1.774 -4.440) 9.235 22.103 ( 3.165 0.159 -1.259) 3.410 22.826 ( -2.649 1.585 0.994) 3.243 23.169 ( 8.272 5.011 1.551) 9.795 23.551 ( 1.742 3.725 5.648) 6.987 23.860 ( -2.115 -1.524 -0.185) 2.613 26.968 ( -0.813 5.421 -2.534) 6.039 27.105 ( -0.299 9.546 -1.306) 9.640 27.814 ( 3.214 -4.503 5.438) 7.757 28.064 ( 0.535 -4.646 1.294) 4.853 31.812 ( 0.571 -1.082 -2.675) 2.941 31.862 ( 0.661 -2.794 0.547) 2.923 31.921 ( -1.135 -0.703 -0.189) 1.348 32.004 ( -0.070 -1.052 0.778) 1.310 35.736 ( 2.754 4.085 -0.237) 4.932 35.986 ( -1.025 5.431 2.234) 5.961 36.241 ( 6.232 11.327 -2.444) 13.157 37.745 ( 2.500 -5.607 13.716) 15.028 39.080 ( 4.518 0.590 -0.507) 4.584 39.332 ( -3.549 -0.495 -5.975) 6.967 39.703 ( -1.671 -4.309 2.947) 5.481 40.196 ( -5.702 -1.762 -1.582) 6.175 41.445 ( 2.167 1.050 -0.527) 2.465 41.595 ( 1.339 3.244 2.983) 4.606 41.632 ( -2.814 -3.022 -0.309) 4.141 41.924 ( 3.380 4.202 7.317) 9.090 42.791 ( -10.370 12.951 -6.108) 17.680 43.207 ( 4.530 4.612 -26.142) 26.929 44.495 ( 0.932 -9.715 17.942) 20.424 45.151 ( -1.335 -11.736 -12.458) 17.167 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -2.008 20.368 -18.734) 27.746 1.505 ( 13.751 36.884 -0.954) 39.376 2.161 ( -6.034 9.848 -0.287) 11.554 2.276 ( -14.153 19.963 -12.212) 27.349 2.891 ( 8.344 -8.698 4.509) 12.868 2.970 ( 0.201 1.928 -8.285) 8.509 3.120 ( -0.167 2.932 1.391) 3.250 3.351 ( -0.505 -7.390 -4.872) 8.866 3.580 ( -3.901 -1.741 6.057) 7.412 3.773 ( 1.406 1.820 0.611) 2.379 3.942 ( 3.268 7.111 -2.038) 8.086 4.036 ( -8.175 9.446 10.877) 16.564 4.091 ( -0.493 6.292 -6.901) 9.352 4.657 ( 1.437 0.033 14.077) 14.151 4.791 ( 4.965 3.555 -9.924) 11.652 4.976 ( -0.149 5.689 -1.682) 5.935 5.139 ( 3.689 7.459 11.725) 14.378 5.369 ( -2.633 -13.068 1.031) 13.370 5.669 ( 2.621 -9.093 0.815) 9.498 5.786 ( 9.547 5.598 -3.028) 11.475 6.106 ( -7.107 10.559 2.761) 13.025 6.152 ( -17.463 11.121 1.268) 20.742 6.253 ( -0.646 3.244 -0.946) 3.440 6.414 ( -7.695 7.419 0.807) 10.719 6.691 ( 0.894 0.935 -4.788) 4.959 7.106 ( -0.071 2.906 -3.438) 4.502 7.260 ( 0.826 4.427 -2.794) 5.300 7.365 ( 2.277 1.346 4.095) 4.875 7.433 ( -1.894 -3.418 -1.212) 4.091 7.656 ( 1.645 3.150 9.867) 10.488 7.926 ( 0.157 -6.173 0.185) 6.177 8.074 ( -3.957 0.347 0.269) 3.982 8.421 ( 2.785 0.378 -6.211) 6.817 8.667 ( -2.177 2.818 -4.102) 5.432 8.882 ( -3.600 3.111 -2.075) 5.191 8.922 ( 1.536 5.441 0.476) 5.674 9.293 ( -0.573 4.970 1.177) 5.139 9.578 ( 6.293 -4.442 5.992) 9.759 9.879 ( -0.616 -3.014 -1.192) 3.299 10.170 ( 10.166 7.602 10.480) 16.461 10.538 ( 2.792 -1.937 -3.306) 4.741 10.613 ( -11.331 -2.547 -4.291) 12.382 11.204 ( 2.055 -8.604 5.262) 10.293 11.397 ( -5.662 -9.150 -0.863) 10.795 11.512 ( 0.060 -1.049 -6.849) 6.930 11.695 ( 14.765 1.386 -0.203) 14.831 12.063 ( -4.288 -3.909 1.889) 6.102 12.229 ( 13.576 -8.414 1.324) 16.027 12.523 ( -8.992 -3.672 2.717) 10.086 13.373 ( 9.640 -4.639 5.102) 11.853 13.680 ( 3.095 12.921 -3.227) 13.673 13.850 ( -0.911 8.723 2.844) 9.220 14.215 ( -18.461 -3.305 0.590) 18.764 14.798 ( 4.325 -3.042 0.996) 5.380 15.236 ( -2.023 -4.840 1.173) 5.375 15.395 ( -2.330 -3.710 -3.344) 5.512 15.783 ( -0.730 2.116 1.428) 2.655 16.110 ( 3.221 -1.301 5.417) 6.435 16.779 ( 1.417 -1.346 -3.359) 3.886 17.116 ( -1.999 -4.304 0.998) 4.850 18.334 ( 3.454 -9.935 -6.436) 12.330 18.453 ( 5.153 -11.182 -5.571) 13.514 19.076 ( -3.361 1.674 -3.373) 5.047 19.188 ( 2.096 3.318 0.983) 4.045 19.469 ( 0.446 0.221 -0.980) 1.099 19.619 ( 0.267 -1.513 -0.209) 1.551 19.685 ( 0.526 2.917 1.184) 3.192 20.038 ( -0.544 -0.463 2.408) 2.512 20.342 ( -3.290 -7.931 2.980) 9.089 20.406 ( -0.241 -4.608 1.773) 4.944 20.618 ( 0.271 -1.043 -0.413) 1.154 20.725 ( 6.648 3.469 2.653) 7.954 20.906 ( 0.215 3.885 1.086) 4.039 20.966 ( 3.879 5.992 -2.109) 7.443 21.011 ( -0.956 3.469 0.024) 3.598 21.273 ( -9.051 2.274 -8.226) 12.440 21.528 ( -3.761 1.410 -0.513) 4.050 21.638 ( 1.800 1.919 -4.599) 5.298 21.778 ( -8.587 1.147 0.925) 8.713 22.148 ( 2.810 0.199 1.061) 3.010 22.778 ( -3.720 0.837 1.586) 4.130 23.233 ( 7.879 3.559 4.198) 9.610 23.565 ( 1.199 4.170 7.716) 8.852 23.824 ( -4.869 -1.888 -6.460) 8.307 26.871 ( -0.466 5.550 -1.885) 5.880 26.948 ( -1.892 10.486 -1.889) 10.821 27.947 ( 2.377 -4.382 4.621) 6.797 28.143 ( 1.262 -4.283 1.040) 4.584 31.820 ( 0.650 -1.681 -2.047) 2.727 31.905 ( -0.788 -2.854 0.594) 3.020 31.936 ( 1.013 -1.471 0.110) 1.790 32.026 ( 1.067 -1.160 0.604) 1.688 35.715 ( 1.705 3.428 -0.054) 3.829 35.869 ( -2.676 10.283 1.275) 10.702 36.180 ( 3.974 6.475 -1.396) 7.725 37.975 ( 2.162 -4.024 23.603) 24.040 39.115 ( 2.679 1.374 -0.424) 3.041 39.265 ( -1.577 -2.060 -7.136) 7.593 39.736 ( -4.363 -4.596 0.670) 6.373 40.138 ( -3.104 -0.364 -1.055) 3.298 41.406 ( 0.399 6.103 0.154) 6.118 41.614 ( 0.303 0.254 6.692) 6.704 41.673 ( -0.231 -6.280 -2.252) 6.675 41.976 ( 3.827 5.741 12.943) 14.667 42.432 ( -10.412 11.148 -12.416) 19.669 42.979 ( 5.221 5.536 -36.817) 37.595 44.766 ( 1.731 -8.883 17.425) 19.635 45.198 ( 1.650 -11.468 -15.440) 19.304 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -0.000 27.376 0.000) 27.376 1.151 ( -0.000 42.679 0.000) 42.679 1.453 ( -0.000 51.413 0.000) 51.413 2.248 ( 0.000 -8.589 -0.000) 8.589 2.902 ( -0.000 4.814 0.000) 4.814 3.024 ( -0.000 7.258 0.000) 7.258 3.073 ( 0.000 -3.622 -0.000) 3.622 3.466 ( 0.000 -10.235 -0.000) 10.235 3.526 ( -0.000 1.307 0.000) 1.307 3.850 ( -0.000 1.842 0.000) 1.842 3.856 ( -0.000 12.145 0.000) 12.145 3.911 ( -0.000 2.481 0.000) 2.481 3.943 ( -0.000 2.814 0.000) 2.814 4.683 ( -0.000 7.603 0.000) 7.603 4.715 ( -0.000 7.341 0.000) 7.341 4.975 ( 0.000 -8.924 -0.000) 8.924 5.111 ( -0.000 8.412 0.000) 8.412 5.555 ( 0.000 -15.138 -0.000) 15.138 5.740 ( -0.000 8.586 0.000) 8.586 5.807 ( 0.000 -6.357 -0.000) 6.357 5.965 ( -0.000 2.189 0.000) 2.189 5.982 ( -0.000 1.626 0.000) 1.626 6.232 ( 0.000 -0.789 -0.000) 0.789 6.287 ( -0.000 3.944 0.000) 3.944 6.653 ( -0.000 2.433 0.000) 2.433 6.956 ( -0.000 13.676 0.000) 13.676 7.269 ( 0.000 -1.398 -0.000) 1.398 7.363 ( -0.000 4.638 0.000) 4.638 7.484 ( 0.000 -7.058 -0.000) 7.058 7.682 ( -0.000 1.052 0.000) 1.052 7.961 ( 0.000 -1.648 -0.000) 1.648 8.104 ( 0.000 -6.505 -0.000) 6.505 8.401 ( -0.000 0.248 0.000) 0.248 8.582 ( -0.000 6.917 0.000) 6.917 8.791 ( -0.000 4.248 0.000) 4.248 8.852 ( -0.000 6.952 0.000) 6.952 9.236 ( -0.000 4.079 0.000) 4.079 9.700 ( 0.000 -4.011 -0.000) 4.011 9.904 ( 0.000 -2.647 -0.000) 2.647 10.295 ( -0.000 4.474 0.000) 4.474 10.461 ( 0.000 -2.848 -0.000) 2.848 10.547 ( -0.000 1.936 0.000) 1.936 11.342 ( 0.000 -6.847 -0.000) 6.847 11.395 ( -0.000 8.015 0.000) 8.015 11.465 ( 0.000 -6.863 -0.000) 6.863 11.841 ( -0.000 1.512 0.000) 1.512 12.081 ( 0.000 -6.581 -0.000) 6.581 12.498 ( 0.000 -14.471 -0.000) 14.471 12.544 ( 0.000 -9.506 -0.000) 9.506 13.508 ( 0.000 -3.432 -0.000) 3.432 13.514 ( -0.000 14.158 0.000) 14.158 13.899 ( 0.000 -1.467 -0.000) 1.467 13.965 ( -0.000 8.548 0.000) 8.548 14.858 ( 0.000 -1.903 -0.000) 1.903 15.294 ( 0.000 -5.458 -0.000) 5.458 15.415 ( 0.000 -4.581 -0.000) 4.581 15.735 ( -0.000 4.947 0.000) 4.947 16.160 ( -0.000 1.490 0.000) 1.490 16.788 ( 0.000 -0.854 -0.000) 0.854 17.134 ( 0.000 -0.622 -0.000) 0.622 18.500 ( 0.000 -15.576 -0.000) 15.576 18.679 ( 0.000 -18.377 -0.000) 18.377 19.014 ( -0.000 1.689 0.000) 1.689 19.168 ( -0.000 2.781 0.000) 2.781 19.450 ( -0.000 1.917 0.000) 1.917 19.648 ( -0.000 3.066 0.000) 3.066 19.649 ( 0.000 -1.729 -0.000) 1.729 20.074 ( 0.000 -1.879 -0.000) 1.879 20.423 ( 0.000 -6.721 -0.000) 6.721 20.454 ( 0.000 -1.474 -0.000) 1.474 20.627 ( 0.000 -0.647 -0.000) 0.647 20.740 ( -0.000 5.929 0.000) 5.929 20.877 ( -0.000 1.555 0.000) 1.555 20.927 ( -0.000 9.373 0.000) 9.373 20.938 ( -0.000 10.275 0.000) 10.275 21.003 ( -0.000 3.564 0.000) 3.564 21.508 ( 0.000 -0.764 -0.000) 0.764 21.640 ( -0.000 0.372 0.000) 0.372 21.733 ( 0.000 -4.069 -0.000) 4.069 22.153 ( -0.000 3.423 0.000) 3.423 22.752 ( 0.000 -0.195 -0.000) 0.195 23.336 ( 0.000 -3.965 -0.000) 3.965 23.607 ( -0.000 2.468 0.000) 2.468 23.666 ( -0.000 5.230 0.000) 5.230 26.797 ( -0.000 8.971 0.000) 8.971 26.806 ( -0.000 3.671 0.000) 3.671 28.029 ( 0.000 -3.154 -0.000) 3.154 28.208 ( 0.000 -3.433 -0.000) 3.433 31.839 ( 0.000 -1.723 -0.000) 1.723 31.934 ( 0.000 -2.166 -0.000) 2.166 31.955 ( 0.000 -0.704 -0.000) 0.704 32.062 ( 0.000 -1.667 -0.000) 1.667 35.696 ( -0.000 1.844 0.000) 1.844 35.725 ( -0.000 8.736 0.000) 8.736 36.139 ( -0.000 4.405 0.000) 4.405 38.173 ( 0.000 -4.546 -0.000) 4.546 39.110 ( -0.000 1.269 0.000) 1.269 39.242 ( 0.000 -1.613 -0.000) 1.613 39.746 ( 0.000 -3.225 -0.000) 3.225 40.119 ( -0.000 0.112 0.000) 0.112 41.340 ( -0.000 4.164 0.000) 4.164 41.660 ( 0.000 -0.978 -0.000) 0.978 41.738 ( 0.000 -5.508 -0.000) 5.508 42.069 ( -0.000 13.427 0.000) 13.427 42.118 ( 0.000 -0.924 -0.000) 0.924 42.719 ( -0.000 9.876 0.000) 9.876 44.949 ( 0.000 -5.830 -0.000) 5.830 45.278 ( 0.000 -9.550 -0.000) 9.550 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 3.105 -0.000 40.290) 40.409 2.198 ( 21.465 -0.000 13.636) 25.430 2.385 ( 5.456 -0.000 -4.840) 7.293 2.858 ( -7.450 0.000 8.051) 10.969 2.859 ( 3.984 -0.000 2.847) 4.897 3.121 ( 6.106 -0.000 1.750) 6.352 3.282 ( -8.895 0.000 -11.618) 14.632 3.416 ( -5.703 0.000 -21.917) 22.647 3.527 ( 6.063 -0.000 16.901) 17.956 3.772 ( 8.901 -0.000 -16.441) 18.695 3.832 ( 5.225 -0.000 26.927) 27.429 3.989 ( -4.889 0.000 0.945) 4.980 4.062 ( 14.085 -0.000 1.441) 14.158 4.216 ( 2.945 -0.000 -8.407) 8.908 4.521 ( 7.575 -0.000 0.151) 7.577 4.672 ( 6.723 -0.000 -19.278) 20.417 5.435 ( 6.439 -0.000 -14.844) 16.180 5.539 ( -5.615 0.000 -7.359) 9.257 5.774 ( 4.597 -0.000 -13.905) 14.646 5.859 ( 13.919 -0.000 20.740) 24.978 5.977 ( 16.666 -0.000 -14.579) 22.143 6.441 ( 24.936 -0.000 -7.074) 25.920 6.443 ( 3.869 -0.000 0.078) 3.869 6.624 ( 0.965 -0.000 5.733) 5.814 6.848 ( -5.466 0.000 21.476) 22.161 6.964 ( -13.109 0.000 6.647) 14.698 7.001 ( -9.049 0.000 9.391) 13.041 7.212 ( 3.670 -0.000 0.897) 3.777 7.548 ( 9.364 -0.000 -3.910) 10.148 7.587 ( 5.558 -0.000 -2.957) 6.296 7.953 ( -1.458 0.000 -4.351) 4.589 8.103 ( 8.093 -0.000 -9.157) 12.221 8.540 ( 5.863 -0.000 -11.155) 12.602 8.717 ( -1.923 0.000 -1.860) 2.675 8.906 ( -1.699 0.000 6.016) 6.251 9.158 ( 11.613 -0.000 15.360) 19.255 9.223 ( -3.785 0.000 0.637) 3.838 9.454 ( -12.465 0.000 8.315) 14.984 9.461 ( -0.066 0.000 0.050) 0.083 10.263 ( 0.694 -0.000 4.625) 4.677 10.554 ( -3.977 0.000 -1.699) 4.325 10.683 ( 1.981 -0.000 10.233) 10.423 10.929 ( -7.504 0.000 -11.787) 13.973 11.225 ( -13.669 0.000 -3.902) 14.215 11.716 ( -17.345 0.000 -10.217) 20.130 11.848 ( 4.004 -0.000 9.207) 10.040 12.032 ( -0.597 0.000 -0.021) 0.597 12.251 ( 8.295 -0.000 -4.430) 9.404 12.677 ( -7.551 0.000 1.841) 7.772 13.114 ( 10.694 -0.000 -9.343) 14.201 13.424 ( 12.655 -0.000 -11.582) 17.155 13.558 ( 3.188 -0.000 10.978) 11.432 14.502 ( 1.513 -0.000 -10.408) 10.517 14.852 ( -3.236 0.000 -1.462) 3.551 15.201 ( -3.958 0.000 -3.438) 5.243 15.476 ( -5.196 0.000 -0.258) 5.202 15.733 ( -0.426 0.000 -5.235) 5.252 16.020 ( -0.351 0.000 -6.482) 6.491 16.752 ( -4.371 0.000 2.334) 4.955 17.136 ( -5.735 0.000 -3.848) 6.907 18.342 ( -9.740 0.000 14.378) 17.367 18.692 ( -9.430 0.000 19.846) 21.972 19.131 ( 2.326 -0.000 -0.882) 2.488 19.328 ( 1.594 -0.000 7.214) 7.388 19.510 ( -4.084 0.000 1.657) 4.408 19.581 ( -1.651 0.000 3.028) 3.449 19.646 ( -1.910 0.000 -1.094) 2.202 19.871 ( 7.741 -0.000 2.585) 8.162 20.002 ( -11.086 0.000 -6.119) 12.663 20.374 ( -1.262 0.000 -3.593) 3.808 20.539 ( 1.440 -0.000 -0.011) 1.440 20.661 ( -2.386 0.000 1.963) 3.090 20.972 ( 3.510 -0.000 0.567) 3.556 20.991 ( -1.670 0.000 1.588) 2.304 21.218 ( 1.329 -0.000 -4.214) 4.418 21.441 ( -2.588 0.000 1.676) 3.083 21.499 ( 1.811 -0.000 0.243) 1.827 21.788 ( 8.957 -0.000 6.260) 10.928 21.814 ( -5.145 0.000 -1.566) 5.378 21.966 ( 6.377 -0.000 -8.867) 10.922 22.875 ( 3.803 -0.000 -3.666) 5.282 23.055 ( 11.511 -0.000 0.967) 11.552 23.536 ( 4.077 -0.000 -2.117) 4.594 24.012 ( -3.007 0.000 -4.741) 5.614 26.976 ( 5.832 -0.000 7.084) 9.176 27.139 ( 7.885 -0.000 7.436) 10.838 27.718 ( -3.985 0.000 -5.459) 6.758 28.065 ( -3.106 0.000 -6.720) 7.403 31.816 ( -2.614 0.000 -0.279) 2.629 31.915 ( -1.478 0.000 1.340) 1.995 31.938 ( -1.270 0.000 1.513) 1.975 31.956 ( -2.724 0.000 -2.210) 3.508 35.827 ( 8.529 -0.000 2.886) 9.004 35.851 ( 4.087 -0.000 -4.790) 6.296 36.506 ( 17.240 -0.000 7.049) 18.625 37.434 ( 6.095 -0.000 -30.341) 30.947 39.122 ( 1.254 -0.000 0.429) 1.325 39.264 ( -0.585 0.000 -3.616) 3.663 39.754 ( -4.186 0.000 2.863) 5.071 40.121 ( -3.325 0.000 1.485) 3.641 41.288 ( 0.838 -0.000 -2.148) 2.305 41.555 ( -0.646 0.000 0.495) 0.814 41.829 ( 5.839 -0.000 1.472) 6.021 41.885 ( 1.935 -0.000 -0.315) 1.960 43.012 ( 16.659 -0.000 11.146) 20.044 43.709 ( -24.402 0.000 48.406) 54.209 44.188 ( -8.769 0.000 -22.261) 23.926 45.055 ( -16.361 0.000 1.842) 16.464 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -6.795 5.824 19.935) 21.852 2.287 ( 12.893 16.346 13.005) 24.547 2.477 ( -2.480 -2.317 -4.945) 5.998 2.748 ( -5.320 4.540 4.815) 8.491 2.915 ( 2.136 3.577 4.104) 5.848 3.075 ( -4.016 4.653 -9.162) 11.033 3.161 ( -8.321 -0.706 -12.257) 14.832 3.250 ( 0.300 -6.579 0.022) 6.586 3.654 ( 4.885 3.436 -0.331) 5.982 3.825 ( 4.949 -5.033 -1.008) 7.130 3.988 ( -0.081 -3.991 3.807) 5.516 4.081 ( 4.550 -0.161 10.795) 11.716 4.180 ( 12.139 4.326 -4.612) 13.687 4.333 ( 8.472 -5.744 2.886) 10.635 4.584 ( 3.204 -2.321 -4.531) 6.015 4.666 ( 5.932 -6.447 -11.989) 14.849 5.348 ( 0.731 6.538 -9.281) 11.376 5.445 ( 0.389 0.673 -7.014) 7.057 5.730 ( 8.726 7.858 -6.030) 13.201 6.044 ( 12.603 -1.476 -9.066) 15.595 6.232 ( 20.589 4.517 8.128) 22.591 6.484 ( 6.490 5.656 5.020) 9.965 6.577 ( 1.068 4.595 4.323) 6.398 6.782 ( 11.335 -6.968 -4.655) 14.097 6.847 ( -4.471 2.989 10.873) 12.131 6.986 ( -8.333 -4.463 6.292) 11.355 7.041 ( -1.044 -11.059 16.692) 20.050 7.290 ( 4.830 -2.355 0.861) 5.442 7.610 ( 6.838 3.168 -8.195) 11.133 7.649 ( 8.094 -1.000 -3.252) 8.780 7.891 ( -4.585 -0.423 -3.714) 5.916 8.129 ( 6.042 -0.435 -7.822) 9.893 8.531 ( 6.362 1.496 -9.781) 11.764 8.674 ( -3.896 -0.675 -1.026) 4.085 8.879 ( -3.716 -0.561 -0.146) 3.761 9.230 ( 0.673 4.680 10.718) 11.715 9.268 ( -9.909 3.321 2.826) 10.826 9.383 ( 6.884 1.762 8.499) 11.078 9.578 ( 0.714 -9.869 8.146) 12.817 10.236 ( -4.318 4.793 4.801) 8.041 10.530 ( -1.828 -1.461 -1.201) 2.630 10.729 ( -3.551 5.872 3.585) 7.742 10.783 ( -5.072 -2.172 -8.619) 10.234 11.027 ( -12.916 -7.836 -4.582) 15.787 11.443 ( -14.102 -0.346 -6.897) 15.702 11.884 ( -7.159 10.680 -2.321) 13.065 11.934 ( 2.790 2.615 5.676) 6.844 12.276 ( -0.438 -7.530 -2.745) 8.026 12.722 ( 13.474 7.378 4.902) 16.125 13.193 ( 3.185 10.204 -5.152) 11.866 13.461 ( 18.371 -6.061 -3.337) 19.631 13.838 ( 3.591 -17.063 4.269) 17.952 14.407 ( 0.009 5.425 -10.071) 11.439 14.793 ( -2.515 0.795 -2.129) 3.390 15.141 ( -4.063 -1.497 -1.338) 4.532 15.420 ( -3.190 -0.271 -0.949) 3.339 15.677 ( -2.865 -1.376 -4.626) 5.612 15.952 ( -3.464 -1.277 -6.636) 7.594 16.717 ( -3.408 -1.073 0.349) 3.589 17.025 ( -7.619 -0.401 -2.086) 7.909 18.337 ( -3.860 3.250 11.709) 12.750 18.671 ( -6.618 6.550 12.368) 15.481 19.158 ( 2.190 -0.529 -0.760) 2.378 19.379 ( 0.005 1.827 3.139) 3.632 19.433 ( -4.325 1.813 1.560) 4.942 19.591 ( -2.949 -1.785 5.165) 6.210 19.637 ( -1.012 -1.575 -0.320) 1.899 19.866 ( -9.917 -6.646 -5.847) 13.293 20.006 ( 7.285 -0.889 3.692) 8.216 20.347 ( -0.374 -1.806 -3.574) 4.022 20.537 ( 0.462 2.025 0.948) 2.283 20.649 ( -2.761 -1.589 1.314) 3.446 20.978 ( -1.922 0.144 2.348) 3.038 21.020 ( 3.427 0.232 0.526) 3.475 21.161 ( 0.233 3.033 -4.625) 5.536 21.407 ( -1.760 1.142 -0.041) 2.099 21.540 ( -0.637 -3.263 0.662) 3.390 21.743 ( -5.126 -0.582 -1.276) 5.314 21.923 ( 5.816 0.454 1.384) 5.995 22.024 ( 4.850 -4.813 -3.760) 7.799 22.894 ( 2.789 0.709 -1.916) 3.457 23.194 ( 10.995 2.021 0.524) 11.191 23.580 ( 5.508 0.991 -0.985) 5.683 23.936 ( -1.788 2.123 -3.348) 4.349 27.091 ( 4.975 1.259 5.372) 7.430 27.283 ( 7.853 2.372 6.740) 10.617 27.650 ( -1.972 -1.462 -3.354) 4.157 27.978 ( -3.060 -0.824 -6.298) 7.050 31.787 ( -1.840 -0.458 -0.269) 1.915 31.873 ( -2.348 1.880 -0.577) 3.063 31.918 ( -3.155 -1.323 -0.787) 3.510 31.948 ( -0.809 -1.234 1.555) 2.144 35.845 ( 4.457 2.991 -2.978) 6.138 35.984 ( 8.512 -0.871 4.112) 9.493 36.688 ( 17.037 14.046 3.118) 22.300 37.367 ( 3.092 -10.089 -17.474) 20.413 39.114 ( 2.524 3.693 -0.619) 4.516 39.277 ( -0.108 -5.508 -3.911) 6.756 39.693 ( -5.998 2.224 3.122) 7.118 40.109 ( -4.836 -4.476 0.601) 6.616 41.302 ( 0.876 -2.464 -1.033) 2.812 41.558 ( 0.123 -0.488 0.492) 0.704 41.861 ( 2.383 5.387 0.839) 5.951 41.929 ( 4.593 0.094 2.275) 5.127 43.248 ( 12.459 5.449 7.708) 15.631 43.630 ( -12.915 13.156 14.258) 23.306 44.037 ( -8.611 -11.489 -1.266) 14.413 44.880 ( -16.711 -7.768 -4.024) 18.863 ======================= Grid point 21 (15/114) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -8.748 7.396 0.006) 11.456 2.258 ( 0.867 17.008 8.563) 19.062 2.420 ( -0.219 -1.749 -1.324) 2.204 2.723 ( 5.047 5.241 -8.779) 11.402 2.831 ( -4.730 9.778 5.314) 12.092 2.929 ( -1.213 -3.055 -5.263) 6.205 3.127 ( 4.296 -0.611 2.485) 5.000 3.315 ( -2.423 -1.347 2.746) 3.902 3.619 ( 3.119 2.830 -9.405) 10.305 3.896 ( 0.190 1.589 0.667) 1.734 4.035 ( -5.104 -5.597 1.328) 7.690 4.163 ( 4.230 1.040 -9.585) 10.529 4.229 ( 8.124 4.040 9.310) 13.000 4.497 ( 3.473 -3.678 4.336) 6.663 4.619 ( 1.770 -8.482 -11.909) 14.727 4.840 ( 7.121 -8.903 8.205) 14.046 5.200 ( -2.643 4.803 -6.268) 8.328 5.397 ( 5.021 5.671 -6.335) 9.874 5.709 ( 9.817 11.249 0.397) 14.935 6.134 ( 16.754 8.432 -7.099) 20.054 6.322 ( 0.470 6.451 -1.835) 6.723 6.509 ( 6.024 6.576 7.689) 11.775 6.612 ( 3.860 5.178 2.071) 6.783 6.722 ( -7.782 5.403 12.264) 15.497 6.999 ( -9.789 -4.308 11.300) 15.558 7.027 ( 9.191 -1.506 -0.485) 9.326 7.214 ( -5.834 -2.433 8.484) 10.580 7.374 ( 3.928 -2.102 0.076) 4.456 7.555 ( 6.985 6.325 -11.085) 14.549 7.709 ( 1.367 -2.196 -0.215) 2.596 7.777 ( -5.581 4.202 -1.851) 7.227 8.159 ( 3.072 -2.982 -8.013) 9.085 8.489 ( 3.937 6.217 -7.178) 10.280 8.636 ( -3.114 -3.262 -2.779) 5.297 8.930 ( 4.330 -5.648 0.271) 7.122 9.102 ( -9.144 2.177 0.375) 9.407 9.304 ( 5.119 3.250 10.640) 12.246 9.443 ( -0.897 -0.024 2.261) 2.432 9.789 ( 5.240 -3.520 7.391) 9.720 10.169 ( -2.955 1.567 6.368) 7.193 10.495 ( 1.219 3.350 -3.387) 4.917 10.549 ( -8.213 -1.578 -5.161) 9.827 10.760 ( -2.234 -7.804 -0.538) 8.135 11.076 ( -5.654 -11.673 3.729) 13.495 11.298 ( -6.586 -5.284 -6.604) 10.720 11.682 ( -2.576 4.126 -6.274) 7.938 11.961 ( -3.265 -1.150 3.887) 5.205 12.335 ( 5.106 3.374 1.796) 6.378 12.817 ( 4.090 9.146 1.379) 10.113 13.055 ( 12.021 8.447 -1.351) 14.755 13.801 ( 14.322 -8.753 1.195) 16.827 14.025 ( -4.742 -7.400 2.386) 9.107 14.248 ( -3.049 4.722 -7.038) 9.007 14.747 ( -1.112 0.965 -0.372) 1.518 15.119 ( -2.698 -2.339 0.329) 3.586 15.380 ( -2.865 -0.575 -1.716) 3.388 15.668 ( -0.619 -5.046 -1.111) 5.203 15.901 ( -3.226 -5.282 -4.614) 7.720 16.705 ( -1.790 -2.830 -1.020) 3.500 16.949 ( -5.561 -2.590 -0.332) 6.144 18.314 ( -0.913 5.762 5.698) 8.155 18.545 ( -4.372 9.786 1.545) 10.829 19.173 ( -0.696 -0.774 -2.059) 2.307 19.312 ( -1.869 3.470 0.682) 4.000 19.430 ( 1.770 0.745 0.610) 2.015 19.621 ( -2.905 -0.204 1.023) 3.087 19.644 ( -2.381 -5.101 3.888) 6.842 19.844 ( -5.682 -10.197 -2.808) 12.006 20.108 ( 4.677 -0.551 1.394) 4.911 20.345 ( -1.870 -0.299 1.413) 2.363 20.546 ( 1.544 -1.290 0.345) 2.041 20.655 ( -1.063 -2.266 1.115) 2.740 20.979 ( -1.068 -0.148 2.927) 3.120 21.052 ( 2.026 1.334 0.981) 2.617 21.103 ( 0.960 1.969 -4.558) 5.057 21.372 ( -0.776 1.138 -1.542) 2.067 21.566 ( -2.627 -3.066 0.796) 4.115 21.681 ( -4.291 -0.316 -1.023) 4.423 21.962 ( 2.670 0.845 -1.852) 3.358 22.089 ( 1.778 -1.368 -2.355) 3.253 22.889 ( 0.841 2.535 -0.611) 2.740 23.281 ( 8.762 3.917 -0.014) 9.598 23.628 ( 4.570 1.799 1.057) 5.024 23.876 ( -1.351 2.080 -0.300) 2.498 27.115 ( 2.092 5.857 0.900) 6.284 27.334 ( 4.414 7.929 2.687) 9.464 27.684 ( 1.073 -5.503 1.695) 5.857 27.947 ( -1.044 -4.201 -2.335) 4.918 31.780 ( -0.485 -1.390 -1.046) 1.806 31.826 ( -1.955 -0.105 -0.894) 2.152 31.897 ( -1.978 -1.075 0.073) 2.252 31.965 ( -1.015 -1.751 0.957) 2.239 35.835 ( 3.038 3.277 -2.164) 4.965 36.110 ( 8.204 4.021 6.338) 11.120 36.619 ( 7.983 18.391 -5.717) 20.848 37.516 ( 5.620 -12.860 0.115) 14.035 39.115 ( 4.909 2.232 -1.251) 5.536 39.293 ( -2.069 -3.053 -4.633) 5.922 39.626 ( -5.833 -0.911 2.960) 6.604 40.104 ( -5.593 -4.861 -0.442) 7.424 41.356 ( 1.200 -4.781 -0.298) 4.939 41.575 ( 0.653 -0.616 0.491) 1.024 41.798 ( 0.327 8.165 1.201) 8.259 42.000 ( 4.738 1.811 3.940) 6.422 43.181 ( -5.800 17.970 -0.526) 18.890 43.421 ( 3.350 10.828 -5.736) 12.703 44.186 ( -4.178 -14.998 13.569) 20.652 44.798 ( -11.174 -15.032 -8.918) 20.745 ======================= Grid point 22 (16/114) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -5.780 10.291 -5.806) 13.153 2.137 ( 2.989 13.064 5.054) 14.323 2.456 ( -0.568 -3.117 -2.972) 4.345 2.515 ( 2.602 18.067 -6.760) 19.465 2.809 ( 0.263 0.164 6.991) 6.998 2.950 ( 1.885 -1.752 -4.350) 5.055 3.210 ( -7.241 3.694 -9.494) 12.499 3.262 ( 10.846 1.276 4.620) 11.858 3.572 ( -0.610 0.972 0.259) 1.176 3.834 ( -3.492 3.343 1.585) 5.087 4.007 ( -3.321 -0.437 -3.349) 4.736 4.144 ( 1.964 -0.983 -4.826) 5.302 4.311 ( 3.368 7.301 7.111) 10.734 4.592 ( -0.866 -4.722 5.207) 7.082 4.688 ( 2.309 -8.249 -6.591) 10.808 5.070 ( 4.607 -2.562 -4.337) 6.826 5.141 ( 0.498 -6.862 8.446) 10.894 5.322 ( 3.089 9.886 -2.911) 10.759 5.697 ( 7.656 11.253 3.912) 14.162 6.102 ( 11.422 15.689 -12.782) 23.238 6.211 ( -2.858 4.573 5.208) 7.497 6.451 ( -3.061 14.912 3.320) 15.581 6.568 ( 0.749 8.836 5.341) 10.352 6.687 ( 1.658 1.520 -1.534) 2.723 6.767 ( -20.268 19.621 2.480) 28.318 7.078 ( -1.674 -2.518 2.948) 4.223 7.222 ( -1.588 -2.378 8.524) 8.991 7.413 ( -1.708 -0.250 -4.324) 4.656 7.506 ( 6.221 6.106 -5.364) 10.235 7.723 ( 0.890 -1.812 3.593) 4.122 7.763 ( 0.371 -2.102 2.969) 3.656 8.130 ( -0.872 1.443 -6.239) 6.463 8.427 ( 2.635 1.768 -5.801) 6.612 8.634 ( -1.964 -4.023 -2.055) 4.926 8.952 ( -2.853 1.978 -2.265) 4.145 9.036 ( 1.151 1.967 0.656) 2.372 9.412 ( -0.843 2.981 0.750) 3.187 9.461 ( 5.083 -4.144 6.378) 9.148 9.844 ( -0.272 1.194 0.568) 1.350 10.233 ( 2.094 -2.332 8.438) 9.001 10.485 ( 3.777 0.488 -3.790) 5.373 10.554 ( -0.915 -6.168 -0.591) 6.264 10.902 ( 1.544 -13.699 2.526) 14.016 11.148 ( -6.707 -10.777 0.391) 12.699 11.309 ( -1.181 -10.249 -5.777) 11.824 11.661 ( 7.783 -1.175 -2.452) 8.244 11.936 ( -9.722 -5.774 1.215) 11.373 12.354 ( 8.521 9.515 3.298) 13.192 12.615 ( -6.033 11.862 -3.375) 13.729 13.276 ( 18.858 -1.228 4.976) 19.542 13.907 ( -12.966 -2.471 -0.269) 13.202 13.977 ( 7.369 9.184 -6.062) 13.243 14.156 ( -7.214 -1.868 3.393) 8.188 14.754 ( 1.375 -1.375 1.648) 2.549 15.134 ( -1.361 -2.932 1.163) 3.435 15.338 ( -2.609 -0.957 -2.267) 3.586 15.748 ( 0.651 -5.082 0.971) 5.215 15.964 ( 0.994 -9.748 -0.089) 9.799 16.725 ( -0.191 -3.347 -1.445) 3.650 16.952 ( -2.575 -6.300 0.264) 6.811 18.272 ( 0.797 4.038 1.992) 4.573 18.379 ( -2.176 5.896 -5.604) 8.420 19.122 ( -2.834 1.222 -2.341) 3.873 19.285 ( 2.050 4.053 1.455) 4.769 19.461 ( 2.566 -0.787 -0.147) 2.688 19.583 ( -3.176 -1.062 -0.623) 3.407 19.702 ( -1.884 -3.393 2.741) 4.751 19.911 ( -1.473 -9.061 -1.248) 9.265 20.169 ( 1.005 -3.208 0.245) 3.371 20.336 ( -1.944 -0.477 3.196) 3.771 20.586 ( 0.635 -1.579 0.071) 1.703 20.706 ( 1.478 -3.827 0.986) 4.219 20.991 ( 0.931 1.552 1.948) 2.659 21.048 ( -0.645 0.700 -0.030) 0.952 21.077 ( 2.406 2.215 -1.514) 3.604 21.325 ( -1.523 2.352 -3.018) 4.119 21.552 ( -3.317 -0.361 -0.010) 3.336 21.637 ( -2.166 -0.554 -0.600) 2.315 21.923 ( -0.371 6.145 -2.332) 6.583 22.102 ( 0.981 -1.922 -1.112) 2.428 22.844 ( -0.785 3.977 -0.003) 4.054 23.322 ( 5.687 4.075 0.141) 6.998 23.658 ( 2.242 2.355 2.706) 4.231 23.836 ( -1.656 2.086 0.276) 2.678 27.036 ( 0.314 7.730 -0.943) 7.794 27.246 ( 0.957 12.210 -0.048) 12.248 27.802 ( 1.208 -7.078 2.914) 7.749 28.011 ( 0.732 -5.983 0.425) 6.043 31.784 ( 0.298 -1.232 -2.224) 2.560 31.825 ( -1.180 -2.917 0.548) 3.194 31.901 ( -0.030 -1.424 0.206) 1.439 31.982 ( -0.717 -2.097 0.486) 2.269 35.807 ( 1.320 3.730 -1.090) 4.104 36.167 ( 6.287 10.873 7.505) 14.631 36.408 ( 0.529 13.245 -8.065) 15.517 37.778 ( 5.526 -11.450 7.982) 15.012 39.152 ( 5.416 1.026 -2.137) 5.913 39.239 ( -3.549 0.371 -3.170) 4.773 39.610 ( -5.102 -4.720 0.945) 7.014 40.091 ( -3.621 -3.435 -0.575) 5.025 41.444 ( 1.894 -6.100 0.179) 6.390 41.585 ( -0.370 0.698 -0.344) 0.861 41.701 ( -0.302 7.977 2.378) 8.329 42.061 ( 3.752 1.820 4.795) 6.355 42.814 ( -7.441 19.032 -7.345) 21.715 43.261 ( 2.716 14.742 -7.410) 16.722 44.458 ( -0.584 -15.788 14.609) 21.517 44.832 ( -4.245 -17.095 -11.879) 21.246 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.000 16.788 0.000) 16.788 2.008 ( -0.000 21.401 0.000) 21.401 2.287 ( -0.000 13.622 0.000) 13.622 2.356 ( -0.000 16.365 0.000) 16.365 2.871 ( 0.000 -2.670 -0.000) 2.670 3.017 ( 0.000 -3.466 -0.000) 3.466 3.025 ( 0.000 -0.418 -0.000) 0.418 3.354 ( -0.000 1.179 0.000) 1.179 3.554 ( -0.000 0.410 0.000) 0.410 3.798 ( -0.000 0.213 0.000) 0.213 3.962 ( -0.000 1.232 0.000) 1.232 4.119 ( -0.000 5.154 0.000) 5.154 4.229 ( -0.000 12.043 0.000) 12.043 4.680 ( 0.000 -6.173 -0.000) 6.173 4.743 ( 0.000 -2.842 -0.000) 2.842 5.106 ( -0.000 5.383 0.000) 5.383 5.209 ( 0.000 -1.775 -0.000) 1.775 5.293 ( 0.000 -2.408 -0.000) 2.408 5.641 ( -0.000 6.015 0.000) 6.015 6.007 ( -0.000 2.705 0.000) 2.705 6.102 ( -0.000 17.021 0.000) 17.021 6.277 ( -0.000 6.618 0.000) 6.618 6.284 ( -0.000 22.946 0.000) 22.946 6.489 ( -0.000 9.025 0.000) 9.025 6.697 ( -0.000 0.510 0.000) 0.510 7.109 ( 0.000 -1.828 -0.000) 1.828 7.260 ( -0.000 0.345 0.000) 0.345 7.367 ( 0.000 -0.906 -0.000) 0.906 7.468 ( -0.000 4.414 0.000) 4.414 7.756 ( -0.000 4.315 0.000) 4.315 7.834 ( 0.000 -8.384 -0.000) 8.384 8.064 ( -0.000 2.736 0.000) 2.736 8.408 ( -0.000 0.230 0.000) 0.230 8.655 ( 0.000 -1.686 -0.000) 1.686 8.892 ( -0.000 3.071 0.000) 3.071 9.007 ( -0.000 4.761 0.000) 4.761 9.356 ( -0.000 4.829 0.000) 4.829 9.578 ( 0.000 -4.941 -0.000) 4.941 9.837 ( 0.000 -1.491 -0.000) 1.491 10.353 ( 0.000 -5.437 -0.000) 5.437 10.461 ( -0.000 5.121 0.000) 5.121 10.566 ( -0.000 0.333 0.000) 0.333 11.109 ( 0.000 -13.119 -0.000) 13.119 11.231 ( 0.000 -10.017 -0.000) 10.017 11.417 ( 0.000 -10.289 -0.000) 10.289 11.778 ( 0.000 -3.431 -0.000) 3.431 11.942 ( 0.000 -7.836 -0.000) 7.836 12.348 ( -0.000 8.713 0.000) 8.713 12.427 ( -0.000 1.060 0.000) 1.060 13.470 ( 0.000 -0.238 -0.000) 0.238 13.784 ( -0.000 2.236 0.000) 2.236 13.884 ( -0.000 5.387 0.000) 5.387 14.110 ( -0.000 3.231 0.000) 3.231 14.808 ( 0.000 -2.423 -0.000) 2.423 15.168 ( 0.000 -3.766 -0.000) 3.766 15.328 ( 0.000 -2.189 -0.000) 2.189 15.792 ( 0.000 -1.069 -0.000) 1.069 16.102 ( 0.000 -7.573 -0.000) 7.573 16.754 ( 0.000 -2.138 -0.000) 2.138 17.031 ( 0.000 -7.611 -0.000) 7.611 18.263 ( 0.000 -0.429 -0.000) 0.429 18.335 ( 0.000 -6.233 -0.000) 6.233 19.069 ( -0.000 2.375 0.000) 2.375 19.254 ( -0.000 4.040 0.000) 4.040 19.479 ( -0.000 0.799 0.000) 0.799 19.589 ( 0.000 -3.052 -0.000) 3.052 19.715 ( -0.000 0.785 0.000) 0.785 19.994 ( 0.000 -5.883 -0.000) 5.883 20.234 ( 0.000 -6.804 -0.000) 6.804 20.361 ( 0.000 -3.285 -0.000) 3.285 20.605 ( 0.000 -1.141 -0.000) 1.141 20.767 ( 0.000 -2.620 -0.000) 2.620 20.970 ( -0.000 4.008 0.000) 4.008 21.033 ( -0.000 1.564 0.000) 1.564 21.076 ( -0.000 1.608 0.000) 1.608 21.225 ( -0.000 7.258 0.000) 7.258 21.520 ( -0.000 1.219 0.000) 1.219 21.631 ( 0.000 -0.841 -0.000) 0.841 21.802 ( -0.000 8.827 0.000) 8.827 22.145 ( 0.000 -3.258 -0.000) 3.258 22.788 ( -0.000 3.349 0.000) 3.349 23.320 ( -0.000 2.426 0.000) 2.426 23.665 ( -0.000 1.797 0.000) 1.797 23.778 ( -0.000 3.969 0.000) 3.969 26.940 ( -0.000 6.975 0.000) 6.975 27.085 ( -0.000 13.208 0.000) 13.208 27.909 ( 0.000 -6.426 -0.000) 6.426 28.093 ( 0.000 -5.595 -0.000) 5.595 31.795 ( 0.000 -1.592 -0.000) 1.592 31.861 ( 0.000 -3.420 -0.000) 3.420 31.924 ( 0.000 -1.626 -0.000) 1.626 32.009 ( 0.000 -2.423 -0.000) 2.423 35.765 ( -0.000 3.504 0.000) 3.504 36.047 ( -0.000 16.810 0.000) 16.810 36.272 ( -0.000 5.706 0.000) 5.706 37.995 ( 0.000 -9.947 -0.000) 9.947 39.166 ( -0.000 3.290 0.000) 3.290 39.194 ( 0.000 -1.942 -0.000) 1.942 39.637 ( 0.000 -5.123 -0.000) 5.123 40.100 ( 0.000 -2.016 -0.000) 2.016 41.507 ( -0.000 7.896 0.000) 7.896 41.558 ( 0.000 -8.144 -0.000) 8.144 41.658 ( -0.000 1.511 0.000) 1.511 42.106 ( 0.000 -0.005 -0.000) 0.005 42.479 ( -0.000 19.008 0.000) 19.008 43.045 ( -0.000 15.666 0.000) 15.666 44.714 ( 0.000 -13.339 -0.000) 13.339 44.954 ( 0.000 -15.738 -0.000) 15.738 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -13.892 0.000 2.257) 14.074 2.340 ( -11.037 0.000 -7.445) 13.314 2.562 ( 5.765 -0.000 11.832) 13.161 2.668 ( -7.545 0.000 -10.192) 12.681 3.006 ( 0.324 -0.000 12.343) 12.347 3.065 ( -4.319 0.000 6.738) 8.003 3.099 ( 1.083 -0.000 0.697) 1.288 3.205 ( 3.413 -0.000 1.160) 3.604 3.705 ( 2.672 -0.000 -13.148) 13.417 3.819 ( 1.461 -0.000 9.112) 9.229 3.967 ( 1.013 -0.000 -3.578) 3.719 4.173 ( 3.652 -0.000 -8.216) 8.991 4.294 ( 3.313 -0.000 0.159) 3.317 4.427 ( 7.734 -0.000 2.416) 8.103 4.527 ( 5.060 -0.000 -15.862) 16.649 4.704 ( 8.278 -0.000 8.781) 12.067 5.279 ( -5.647 0.000 -3.611) 6.703 5.486 ( 9.759 -0.000 -9.541) 13.648 5.913 ( 8.718 -0.000 5.271) 10.187 6.134 ( 16.584 -0.000 -10.532) 19.646 6.500 ( -7.589 0.000 -8.083) 11.087 6.533 ( 10.512 -0.000 5.103) 11.685 6.762 ( 16.329 -0.000 11.022) 19.701 6.862 ( 3.357 -0.000 2.589) 4.240 6.911 ( -6.297 0.000 8.373) 10.477 6.995 ( 13.213 -0.000 6.596) 14.768 7.084 ( 0.293 -0.000 15.901) 15.904 7.331 ( 1.692 -0.000 3.026) 3.467 7.655 ( 7.474 -0.000 -10.465) 12.860 7.723 ( 7.221 -0.000 -5.238) 8.920 7.779 ( -5.659 0.000 -4.953) 7.521 8.146 ( 5.048 -0.000 -8.216) 9.643 8.536 ( 4.062 -0.000 -6.399) 7.579 8.623 ( -3.386 0.000 0.638) 3.446 8.826 ( -2.390 0.000 -1.227) 2.687 9.147 ( -13.681 0.000 2.838) 13.972 9.382 ( 3.384 -0.000 11.604) 12.087 9.433 ( -2.612 0.000 2.366) 3.524 9.675 ( 10.194 -0.000 10.955) 14.964 10.221 ( -9.910 0.000 9.149) 13.487 10.525 ( 2.008 -0.000 0.177) 2.016 10.624 ( -13.109 0.000 -11.284) 17.296 10.681 ( -5.914 0.000 -12.264) 13.616 10.849 ( -0.614 0.000 5.373) 5.408 11.213 ( -12.059 0.000 -5.631) 13.309 11.724 ( -16.976 0.000 -2.557) 17.168 12.099 ( 0.039 -0.000 0.636) 0.637 12.149 ( 5.306 -0.000 3.455) 6.332 13.063 ( 13.896 -0.000 8.455) 16.266 13.306 ( 8.597 -0.000 -7.291) 11.273 13.616 ( 14.396 -0.000 -4.942) 15.220 13.780 ( 5.383 -0.000 6.077) 8.118 14.380 ( -0.314 0.000 -8.806) 8.811 14.729 ( -4.168 0.000 -2.542) 4.882 15.094 ( -1.779 0.000 1.219) 2.156 15.376 ( -2.534 0.000 -1.236) 2.819 15.592 ( -3.241 0.000 -3.170) 4.533 15.823 ( -6.845 0.000 -6.675) 9.560 16.666 ( -2.957 0.000 -0.810) 3.066 16.921 ( -6.116 0.000 -0.689) 6.154 18.421 ( -0.271 0.000 10.274) 10.277 18.717 ( -5.190 0.000 7.422) 9.057 19.137 ( -3.733 0.000 -2.388) 4.432 19.357 ( -3.881 0.000 1.224) 4.069 19.443 ( 0.493 -0.000 4.162) 4.191 19.571 ( -4.162 0.000 -1.783) 4.528 19.613 ( -0.589 0.000 3.929) 3.973 19.672 ( -6.125 0.000 -5.120) 7.983 20.157 ( 8.510 -0.000 6.190) 10.523 20.302 ( 0.750 -0.000 -4.561) 4.622 20.554 ( -1.189 0.000 0.495) 1.288 20.596 ( -3.705 0.000 0.884) 3.809 20.974 ( -1.700 0.000 3.322) 3.732 21.067 ( 2.954 -0.000 0.598) 3.014 21.127 ( -1.320 0.000 -5.584) 5.738 21.386 ( -2.213 0.000 0.199) 2.222 21.524 ( 0.238 -0.000 -0.332) 0.408 21.676 ( -3.867 0.000 -0.734) 3.936 22.001 ( 3.173 -0.000 -3.597) 4.796 22.041 ( 5.156 -0.000 2.491) 5.726 22.923 ( 2.440 -0.000 -0.842) 2.582 23.338 ( 8.665 -0.000 0.331) 8.671 23.645 ( 5.699 -0.000 -2.452) 6.204 23.913 ( -1.391 0.000 -0.662) 1.541 27.206 ( 4.677 -0.000 4.921) 6.790 27.453 ( 7.551 -0.000 6.336) 9.857 27.589 ( -1.219 0.000 -3.082) 3.314 27.887 ( -2.733 0.000 -5.677) 6.301 31.761 ( -1.247 0.000 -0.470) 1.333 31.832 ( -4.049 0.000 -1.743) 4.408 31.878 ( -1.531 0.000 0.697) 1.682 31.938 ( -1.089 0.000 1.068) 1.525 35.879 ( 2.857 -0.000 -3.053) 4.181 36.163 ( 11.129 -0.000 7.718) 13.543 37.072 ( 16.733 -0.000 6.307) 17.882 37.142 ( -0.990 0.000 -18.538) 18.565 39.192 ( 5.055 -0.000 -0.665) 5.098 39.196 ( -0.399 0.000 -4.244) 4.263 39.634 ( -8.954 0.000 2.997) 9.442 40.023 ( -4.663 0.000 0.523) 4.692 41.290 ( 0.710 -0.000 -0.603) 0.931 41.568 ( 0.611 -0.000 1.350) 1.482 41.915 ( 0.445 -0.000 0.282) 0.526 42.018 ( 5.905 -0.000 2.181) 6.295 43.501 ( 12.174 -0.000 4.440) 12.958 43.729 ( -5.709 0.000 -11.852) 13.155 43.783 ( -11.041 0.000 22.470) 25.036 44.559 ( -16.936 0.000 -8.159) 18.798 ======================= Grid point 29 (19/114) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -9.301 2.775 -2.267) 9.968 2.176 ( -6.978 -3.297 -6.298) 9.961 2.483 ( -4.249 3.224 -5.019) 7.324 2.715 ( 2.096 -4.367 3.807) 6.161 2.933 ( -0.794 14.223 4.391) 14.906 3.053 ( 3.199 5.399 4.514) 7.730 3.204 ( -4.962 -3.889 11.237) 12.885 3.306 ( 7.109 -0.339 1.467) 7.267 3.620 ( 1.795 3.016 -8.787) 9.463 3.915 ( 0.654 -1.987 0.305) 2.114 3.933 ( -2.852 -0.656 0.205) 2.934 4.092 ( -0.086 -1.624 -14.337) 14.429 4.333 ( 0.148 -5.152 0.972) 5.245 4.483 ( 4.101 2.203 -2.885) 5.477 4.558 ( 2.381 -3.553 0.677) 4.330 4.915 ( 8.225 -4.857 7.007) 11.847 5.183 ( -2.898 3.816 -1.707) 5.086 5.510 ( 6.587 4.387 -5.343) 9.549 5.983 ( 6.783 8.472 6.172) 12.485 6.244 ( -1.768 2.931 -6.329) 7.196 6.379 ( 11.131 -1.141 -9.541) 14.705 6.610 ( -3.224 -0.001 5.464) 6.344 6.823 ( 3.324 10.117 1.552) 10.762 6.865 ( 2.343 8.433 4.025) 9.633 7.027 ( 4.773 4.838 12.496) 14.225 7.176 ( 8.845 2.618 3.785) 9.971 7.197 ( -1.418 -0.654 7.947) 8.099 7.357 ( -2.041 -0.190 -0.221) 2.062 7.664 ( 0.922 -4.087 -5.546) 6.950 7.687 ( 1.399 3.543 -2.066) 4.334 7.717 ( 0.437 2.037 -5.850) 6.210 8.128 ( 1.948 1.028 -5.494) 5.919 8.528 ( 0.918 2.267 -3.546) 4.308 8.582 ( -1.948 2.745 -0.399) 3.390 8.884 ( 3.131 -9.993 0.164) 10.474 9.009 ( -8.271 0.734 1.131) 8.380 9.410 ( -1.754 -1.568 -0.397) 2.386 9.478 ( 3.181 4.901 8.244) 10.104 9.884 ( 6.815 -1.815 5.846) 9.161 10.176 ( -5.854 -0.794 9.559) 11.238 10.350 ( -9.327 -4.721 -10.840) 15.059 10.536 ( 1.576 2.930 -1.238) 3.549 10.655 ( 0.925 -6.100 -1.740) 6.410 10.887 ( -5.761 -8.219 -0.674) 10.059 11.099 ( -5.526 -5.075 -3.778) 8.400 11.581 ( -5.804 -4.155 -0.855) 7.189 12.005 ( -1.184 9.353 0.789) 9.461 12.317 ( 1.839 -8.894 2.121) 9.326 13.066 ( 1.426 19.132 -0.541) 19.192 13.361 ( 16.491 2.166 0.879) 16.656 13.771 ( -2.464 -3.558 -1.515) 4.585 13.967 ( 9.276 -7.727 3.342) 12.527 14.268 ( -1.399 7.090 -4.770) 8.659 14.686 ( -3.455 -3.616 -1.488) 5.218 15.099 ( 0.148 -0.183 1.800) 1.816 15.334 ( -2.328 0.214 -1.407) 2.728 15.589 ( 0.242 -5.141 -0.108) 5.147 15.732 ( -5.574 -6.229 -4.505) 9.495 16.642 ( -1.556 -2.101 -0.999) 2.798 16.868 ( -3.025 -1.142 -0.030) 3.234 18.443 ( 0.979 6.602 5.522) 8.663 18.624 ( -3.938 9.945 0.756) 10.723 19.084 ( -4.559 -4.398 -1.832) 6.594 19.355 ( 1.802 0.863 1.561) 2.535 19.457 ( 0.263 1.130 0.151) 1.170 19.526 ( -5.148 -4.504 0.559) 6.863 19.597 ( -1.427 -0.687 -1.409) 2.119 19.681 ( -1.065 -7.047 0.852) 7.178 20.220 ( 4.588 5.465 -0.428) 7.149 20.333 ( 0.323 -1.609 2.718) 3.175 20.539 ( 0.433 -1.567 -0.470) 1.692 20.589 ( -2.998 -3.958 0.360) 4.978 20.989 ( -0.711 -0.455 4.327) 4.408 21.070 ( -0.516 0.439 -4.961) 5.007 21.099 ( 1.464 0.294 -0.020) 1.493 21.363 ( -0.946 0.360 -0.309) 1.059 21.527 ( -0.507 -0.840 -0.041) 0.982 21.634 ( -2.208 0.035 -0.322) 2.232 22.000 ( 1.706 1.528 -1.436) 2.703 22.101 ( 1.915 0.280 0.186) 1.944 22.930 ( 1.044 2.144 -0.225) 2.395 23.409 ( 4.890 2.207 0.039) 5.365 23.684 ( 3.050 0.192 -1.745) 3.520 23.893 ( -0.614 1.645 1.155) 2.102 27.233 ( 1.947 6.705 1.472) 7.136 27.508 ( 3.846 7.560 2.233) 8.771 27.618 ( -0.180 -6.460 -0.034) 6.462 27.864 ( -0.547 -4.979 -1.841) 5.337 31.754 ( 0.036 -0.975 -0.955) 1.365 31.781 ( -2.848 -0.591 -0.457) 2.945 31.872 ( -0.707 -0.677 0.439) 1.073 31.938 ( -0.844 -1.111 0.415) 1.456 35.880 ( 1.612 1.726 -1.528) 2.813 36.331 ( 8.686 2.957 7.928) 12.126 36.844 ( -0.295 18.686 -9.856) 21.128 37.421 ( 7.066 -15.979 1.820) 17.566 39.162 ( 0.644 0.200 -2.924) 3.000 39.262 ( 5.110 0.512 -1.066) 5.245 39.537 ( -8.732 -0.919 2.055) 9.017 39.997 ( -3.072 -2.953 0.130) 4.263 41.314 ( 0.525 -3.062 -0.235) 3.116 41.587 ( 0.601 -0.113 1.170) 1.320 41.889 ( 0.096 4.765 0.346) 4.778 42.088 ( 3.554 0.483 1.351) 3.832 43.358 ( -4.148 23.723 -1.726) 24.145 43.625 ( 7.130 11.593 -0.371) 13.615 43.986 ( -5.646 -21.299 9.997) 24.196 44.412 ( -9.230 -13.705 -7.819) 18.280 ======================= Grid point 30 (20/114) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -0.000 5.587 0.000) 5.587 2.170 ( 0.000 -4.071 -0.000) 4.071 2.429 ( 0.000 -0.853 -0.000) 0.853 2.735 ( -0.000 17.710 0.000) 17.710 2.795 ( 0.000 -4.362 -0.000) 4.362 3.094 ( -0.000 8.602 0.000) 8.602 3.114 ( -0.000 2.690 0.000) 2.690 3.380 ( -0.000 0.637 0.000) 0.637 3.569 ( -0.000 1.228 0.000) 1.228 3.867 ( -0.000 4.078 0.000) 4.078 3.949 ( 0.000 -2.182 -0.000) 2.182 4.091 ( 0.000 -4.815 -0.000) 4.815 4.449 ( -0.000 5.671 0.000) 5.671 4.457 ( 0.000 -11.913 -0.000) 11.913 4.628 ( 0.000 -4.687 -0.000) 4.687 5.081 ( 0.000 -8.255 -0.000) 8.255 5.094 ( -0.000 5.190 0.000) 5.190 5.457 ( -0.000 7.948 0.000) 7.948 5.970 ( -0.000 14.363 0.000) 14.363 6.075 ( -0.000 1.444 0.000) 1.444 6.512 ( -0.000 7.911 0.000) 7.911 6.522 ( -0.000 3.815 0.000) 3.815 6.727 ( -0.000 9.721 0.000) 9.721 6.741 ( -0.000 11.869 0.000) 11.869 6.953 ( -0.000 26.702 0.000) 26.702 7.060 ( -0.000 1.577 0.000) 1.577 7.247 ( 0.000 -1.754 -0.000) 1.754 7.359 ( 0.000 -0.692 -0.000) 0.692 7.629 ( -0.000 5.349 0.000) 5.349 7.672 ( 0.000 -0.139 -0.000) 0.139 7.763 ( 0.000 -6.329 -0.000) 6.329 8.108 ( -0.000 0.452 0.000) 0.452 8.457 ( -0.000 4.756 0.000) 4.756 8.568 ( 0.000 -2.815 -0.000) 2.815 8.941 ( -0.000 1.336 0.000) 1.336 9.028 ( 0.000 -5.474 -0.000) 5.474 9.412 ( 0.000 -0.822 -0.000) 0.822 9.492 ( -0.000 0.222 0.000) 0.222 9.887 ( -0.000 5.391 0.000) 5.391 10.229 ( 0.000 -4.196 -0.000) 4.196 10.436 ( 0.000 -14.565 -0.000) 14.565 10.512 ( -0.000 1.628 0.000) 1.628 10.762 ( 0.000 -10.132 -0.000) 10.132 10.951 ( 0.000 -11.353 -0.000) 11.353 11.139 ( 0.000 -9.100 -0.000) 9.100 11.655 ( 0.000 -10.841 -0.000) 10.841 11.865 ( -0.000 9.539 0.000) 9.539 12.423 ( 0.000 -4.540 -0.000) 4.540 12.800 ( -0.000 21.780 0.000) 21.780 13.563 ( -0.000 9.604 0.000) 9.604 13.651 ( 0.000 -9.673 -0.000) 9.673 14.122 ( 0.000 -3.094 -0.000) 3.094 14.128 ( -0.000 10.102 0.000) 10.102 14.716 ( 0.000 -4.936 -0.000) 4.936 15.115 ( 0.000 -0.757 -0.000) 0.757 15.306 ( -0.000 0.161 0.000) 0.161 15.680 ( 0.000 -6.686 -0.000) 6.686 15.808 ( 0.000 -13.300 -0.000) 13.300 16.668 ( 0.000 -3.991 -0.000) 3.991 16.875 ( 0.000 -3.238 -0.000) 3.238 18.380 ( -0.000 7.487 0.000) 7.487 18.441 ( -0.000 12.074 0.000) 12.074 19.093 ( 0.000 -1.784 -0.000) 1.784 19.354 ( -0.000 3.342 0.000) 3.342 19.492 ( 0.000 -0.200 -0.000) 0.200 19.501 ( 0.000 -3.737 -0.000) 3.737 19.632 ( 0.000 -5.501 -0.000) 5.501 19.781 ( 0.000 -9.445 -0.000) 9.445 20.188 ( -0.000 3.214 0.000) 3.214 20.337 ( -0.000 0.886 0.000) 0.886 20.572 ( 0.000 -1.453 -0.000) 1.453 20.642 ( 0.000 -6.970 -0.000) 6.970 21.023 ( 0.000 -1.195 -0.000) 1.195 21.031 ( -0.000 0.895 0.000) 0.895 21.100 ( -0.000 0.837 0.000) 0.837 21.342 ( -0.000 2.182 0.000) 2.182 21.530 ( 0.000 -0.457 -0.000) 0.457 21.618 ( 0.000 -0.045 -0.000) 0.045 21.980 ( -0.000 3.095 0.000) 3.095 22.096 ( -0.000 1.057 0.000) 1.057 22.894 ( -0.000 4.154 0.000) 4.154 23.407 ( -0.000 3.401 0.000) 3.401 23.692 ( -0.000 0.485 0.000) 0.485 23.866 ( -0.000 2.877 0.000) 2.877 27.143 ( -0.000 8.900 0.000) 8.900 27.409 ( -0.000 11.959 0.000) 11.959 27.717 ( 0.000 -8.567 -0.000) 8.567 27.938 ( 0.000 -6.660 -0.000) 6.660 31.764 ( 0.000 -0.890 -0.000) 0.890 31.782 ( 0.000 -2.584 -0.000) 2.584 31.884 ( 0.000 -1.378 -0.000) 1.378 31.952 ( 0.000 -1.871 -0.000) 1.871 35.854 ( -0.000 3.118 0.000) 3.118 36.395 ( -0.000 3.747 0.000) 3.747 36.533 ( -0.000 21.108 0.000) 21.108 37.676 ( 0.000 -15.363 -0.000) 15.363 39.158 ( 0.000 -0.807 -0.000) 0.807 39.265 ( -0.000 4.121 0.000) 4.121 39.515 ( 0.000 -4.136 -0.000) 4.136 40.020 ( 0.000 -3.831 -0.000) 3.831 41.374 ( 0.000 -5.863 -0.000) 5.863 41.595 ( -0.000 0.314 0.000) 0.314 41.809 ( -0.000 7.957 0.000) 7.957 42.112 ( -0.000 0.362 0.000) 0.362 43.013 ( -0.000 23.886 0.000) 23.886 43.468 ( -0.000 17.486 0.000) 17.486 44.274 ( 0.000 -21.785 -0.000) 21.785 44.529 ( 0.000 -17.549 -0.000) 17.549 ======================= Grid point 38 (21/114) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 -0.000 -0.000) 0.000 2.074 ( 0.000 -0.000 -0.000) 0.000 2.441 ( 0.000 -0.000 -0.000) 0.000 2.717 ( 0.000 -0.000 -0.000) 0.000 3.088 ( 0.000 -0.000 -0.000) 0.000 3.121 ( 0.000 -0.000 -0.000) 0.000 3.135 ( -0.000 0.000 0.000) 0.000 3.392 ( 0.000 -0.000 -0.000) 0.000 3.620 ( 0.000 -0.000 -0.000) 0.000 3.889 ( 0.000 -0.000 -0.000) 0.000 3.932 ( 0.000 -0.000 -0.000) 0.000 4.002 ( 0.000 -0.000 -0.000) 0.000 4.282 ( 0.000 -0.000 -0.000) 0.000 4.530 ( 0.000 -0.000 -0.000) 0.000 4.552 ( -0.000 0.000 0.000) 0.000 4.972 ( 0.000 -0.000 -0.000) 0.000 5.186 ( 0.000 -0.000 -0.000) 0.000 5.563 ( 0.000 -0.000 -0.000) 0.000 6.086 ( 0.000 -0.000 -0.000) 0.000 6.275 ( 0.000 -0.000 -0.000) 0.000 6.367 ( -0.000 0.000 0.000) 0.000 6.584 ( 0.000 -0.000 -0.000) 0.000 6.919 ( 0.000 -0.000 -0.000) 0.000 6.942 ( 0.000 -0.000 -0.000) 0.000 7.200 ( 0.000 -0.000 -0.000) 0.000 7.236 ( 0.000 -0.000 -0.000) 0.000 7.297 ( -0.000 0.000 0.000) 0.000 7.351 ( 0.000 -0.000 -0.000) 0.000 7.575 ( 0.000 -0.000 -0.000) 0.000 7.694 ( -0.000 0.000 0.000) 0.000 7.711 ( 0.000 -0.000 -0.000) 0.000 8.134 ( 0.000 -0.000 -0.000) 0.000 8.554 ( 0.000 -0.000 -0.000) 0.000 8.619 ( 0.000 -0.000 -0.000) 0.000 8.796 ( 0.000 -0.000 -0.000) 0.000 8.962 ( 0.000 -0.000 -0.000) 0.000 9.385 ( 0.000 -0.000 -0.000) 0.000 9.578 ( 0.000 -0.000 -0.000) 0.000 9.987 ( 0.000 -0.000 -0.000) 0.000 10.123 ( 0.000 -0.000 -0.000) 0.000 10.165 ( 0.000 -0.000 -0.000) 0.000 10.592 ( 0.000 -4.817 -0.000) 4.817 10.592 ( -0.000 4.817 0.000) 4.817 10.782 ( 0.000 -0.000 -0.000) 0.000 11.018 ( 0.000 -0.000 -0.000) 0.000 11.510 ( 0.000 -0.000 -0.000) 0.000 12.083 ( 0.000 -0.000 -0.000) 0.000 12.264 ( 0.000 -0.000 -0.000) 0.000 13.292 ( 0.000 -0.000 -0.000) 0.000 13.324 ( -0.000 0.000 0.000) 0.000 13.846 ( 0.000 -0.000 -0.000) 0.000 13.959 ( 0.000 -0.000 -0.000) 0.000 14.291 ( 0.000 -0.000 -0.000) 0.000 14.621 ( 0.000 -0.000 -0.000) 0.000 15.111 ( 0.000 -0.000 -0.000) 0.000 15.313 ( 0.000 -0.000 -0.000) 0.000 15.572 ( 0.000 -0.000 -0.000) 0.000 15.609 ( 0.000 -0.000 -0.000) 0.000 16.614 ( 0.000 -0.000 -0.000) 0.000 16.843 ( 0.000 -0.000 -0.000) 0.000 18.522 ( 0.000 -0.000 -0.000) 0.000 18.682 ( 0.000 -0.000 -0.000) 0.000 18.995 ( 0.000 -0.000 -0.000) 0.000 19.374 ( 0.000 -0.000 -0.000) 0.000 19.461 ( 0.000 -0.000 -0.000) 0.000 19.472 ( 0.000 -0.000 -0.000) 0.000 19.571 ( 0.000 -0.000 -0.000) 0.000 19.639 ( 0.000 -0.000 -0.000) 0.000 20.281 ( 0.000 -0.000 -0.000) 0.000 20.360 ( 0.000 -0.000 -0.000) 0.000 20.504 ( 0.000 -0.000 -0.000) 0.000 20.547 ( 0.000 -0.000 -0.000) 0.000 21.006 ( 0.000 -0.000 -0.000) 0.000 21.038 ( 0.000 -0.000 -0.000) 0.000 21.113 ( 0.000 -0.000 -0.000) 0.000 21.357 ( 0.000 -0.000 -0.000) 0.000 21.520 ( 0.000 -0.000 -0.000) 0.000 21.619 ( 0.000 -0.000 -0.000) 0.000 22.015 ( 0.000 -0.000 -0.000) 0.000 22.120 ( 0.000 -0.000 -0.000) 0.000 22.952 ( 0.000 -0.000 -0.000) 0.000 23.453 ( 0.000 -0.000 -0.000) 0.000 23.697 ( 0.000 -0.000 -0.000) 0.000 23.905 ( 0.000 -0.000 -0.000) 0.000 27.308 ( 0.000 -0.000 -0.000) 0.000 27.556 ( 0.000 -0.000 -0.000) 0.000 27.610 ( 0.000 -0.000 -0.000) 0.000 27.807 ( 0.000 -0.000 -0.000) 0.000 31.747 ( 0.000 -0.000 -0.000) 0.000 31.752 ( 0.000 -0.000 -0.000) 0.000 31.865 ( 0.000 -0.000 -0.000) 0.000 31.927 ( 0.000 -0.000 -0.000) 0.000 35.896 ( 0.000 -0.000 -0.000) 0.000 36.444 ( 0.000 -0.000 -0.000) 0.000 36.931 ( 0.000 -0.000 -0.000) 0.000 37.356 ( 0.000 -0.000 -0.000) 0.000 39.150 ( 0.000 -0.000 -0.000) 0.000 39.327 ( 0.000 -0.000 -0.000) 0.000 39.458 ( 0.000 -0.000 -0.000) 0.000 39.959 ( 0.000 -0.000 -0.000) 0.000 41.296 ( 0.000 -0.000 -0.000) 0.000 41.595 ( 0.000 -0.000 -0.000) 0.000 41.921 ( 0.000 -0.000 -0.000) 0.000 42.118 ( 0.000 -0.000 -0.000) 0.000 43.604 ( 0.000 -0.000 -0.000) 0.000 43.707 ( -0.000 0.000 0.000) 0.000 43.790 ( 0.000 -0.000 -0.000) 0.000 44.206 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 67 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 4.935 -0.000 27.363) 27.805 0.649 ( 0.290 -0.000 30.471) 30.472 1.618 ( 0.635 -0.000 71.104) 71.107 2.626 ( 0.708 -0.000 1.014) 1.237 2.723 ( 0.565 -0.000 6.463) 6.488 2.809 ( -3.588 0.000 0.239) 3.596 3.186 ( 0.328 -0.000 5.954) 5.964 3.334 ( 4.806 -0.000 -14.221) 15.011 3.561 ( -0.027 0.000 -4.036) 4.036 3.571 ( -1.056 0.000 -6.171) 6.260 3.881 ( -6.856 0.000 -0.835) 6.907 3.885 ( 0.671 -0.000 9.776) 9.798 4.027 ( 8.591 -0.000 -2.647) 8.990 4.282 ( -0.175 0.000 -14.810) 14.811 4.528 ( 0.772 -0.000 -10.284) 10.313 4.762 ( -11.943 0.000 -6.783) 13.735 5.240 ( 6.835 -0.000 3.030) 7.476 5.464 ( 0.890 -0.000 -17.590) 17.613 5.648 ( 4.659 -0.000 3.961) 6.115 5.756 ( 3.444 -0.000 -9.107) 9.737 5.841 ( -2.103 0.000 -13.894) 14.052 5.852 ( -6.385 0.000 1.878) 6.656 6.388 ( 1.992 -0.000 0.388) 2.029 6.404 ( 3.101 -0.000 11.762) 12.164 6.747 ( 3.799 -0.000 9.373) 10.114 6.915 ( 1.264 -0.000 19.725) 19.766 7.142 ( 8.270 -0.000 -11.500) 14.165 7.246 ( 1.726 -0.000 -2.494) 3.033 7.642 ( -3.718 0.000 -2.423) 4.438 7.663 ( -11.697 0.000 5.074) 12.750 7.960 ( -3.093 0.000 -5.638) 6.430 8.143 ( -3.051 0.000 -2.685) 4.064 8.346 ( 11.537 -0.000 -3.287) 11.996 8.468 ( -8.783 0.000 -0.020) 8.783 8.760 ( 1.990 -0.000 5.018) 5.399 8.852 ( 0.233 -0.000 12.484) 12.486 9.314 ( -23.149 0.000 5.874) 23.882 9.610 ( 2.137 -0.000 2.358) 3.182 9.742 ( -9.728 0.000 -0.273) 9.731 9.973 ( 3.386 -0.000 1.172) 3.583 10.522 ( 1.980 -0.000 5.062) 5.435 10.760 ( 11.919 -0.000 10.526) 15.901 11.240 ( 3.847 -0.000 -0.094) 3.848 11.412 ( -1.027 0.000 -2.459) 2.665 11.576 ( -1.483 0.000 -2.773) 3.145 11.612 ( -1.532 0.000 -1.282) 1.998 12.049 ( 2.222 -0.000 -9.993) 10.238 12.485 ( -3.758 0.000 -17.925) 18.314 12.836 ( 9.663 -0.000 2.049) 9.878 13.055 ( -6.063 0.000 -6.484) 8.877 13.399 ( -8.647 0.000 5.101) 10.039 13.628 ( -2.128 0.000 -1.617) 2.673 14.272 ( 19.976 -0.000 3.263) 20.241 14.823 ( 6.840 -0.000 -6.300) 9.300 15.347 ( -2.406 0.000 -2.493) 3.464 15.561 ( 3.369 -0.000 -4.344) 5.497 15.605 ( 6.196 -0.000 -3.572) 7.152 15.806 ( 7.772 -0.000 -14.601) 16.540 17.122 ( 2.462 -0.000 0.592) 2.532 17.540 ( -19.070 0.000 -3.235) 19.343 18.911 ( -5.259 0.000 3.091) 6.100 19.042 ( -3.513 0.000 18.727) 19.054 19.097 ( -0.712 0.000 -1.733) 1.873 19.322 ( -0.367 0.000 24.433) 24.436 19.447 ( 6.153 -0.000 1.244) 6.277 19.605 ( -2.208 0.000 -0.335) 2.233 19.657 ( 0.285 -0.000 3.165) 3.177 19.723 ( -1.187 0.000 1.624) 2.012 20.367 ( 2.041 -0.000 0.382) 2.077 20.511 ( -5.642 0.000 -3.468) 6.623 20.592 ( -2.751 0.000 -4.494) 5.269 20.720 ( 2.789 -0.000 -0.140) 2.792 20.740 ( -8.497 0.000 -3.372) 9.141 20.928 ( 3.788 -0.000 4.547) 5.918 20.929 ( -6.791 0.000 5.049) 8.462 21.047 ( 21.895 -0.000 -1.521) 21.948 21.496 ( 1.658 -0.000 0.389) 1.703 21.561 ( -2.027 0.000 2.789) 3.448 21.830 ( -19.386 0.000 -6.606) 20.480 22.060 ( -9.202 0.000 -0.070) 9.202 22.728 ( 0.819 -0.000 -0.563) 0.994 22.868 ( -6.022 0.000 4.666) 7.618 23.455 ( 3.751 -0.000 -8.649) 9.427 24.081 ( 21.292 -0.000 -19.462) 28.846 26.808 ( -3.198 0.000 11.014) 11.469 27.025 ( -2.476 0.000 11.934) 12.188 27.970 ( -2.416 0.000 -8.700) 9.029 28.109 ( 3.745 -0.000 -4.461) 5.825 31.874 ( 1.265 -0.000 0.844) 1.521 31.959 ( -0.771 0.000 -0.277) 0.819 31.978 ( -3.461 0.000 0.147) 3.465 32.011 ( -0.091 0.000 -0.195) 0.215 35.617 ( -0.443 0.000 0.133) 0.462 35.666 ( -0.089 0.000 -0.705) 0.710 36.105 ( -0.273 0.000 1.067) 1.101 36.190 ( 32.370 -0.000 -0.350) 32.372 39.094 ( 0.692 -0.000 0.409) 0.803 39.337 ( 1.462 -0.000 -3.790) 4.062 39.817 ( -0.732 0.000 2.763) 2.859 40.099 ( 1.446 -0.000 -1.452) 2.049 41.333 ( -5.030 0.000 2.381) 5.565 41.554 ( 3.138 -0.000 -0.684) 3.212 41.692 ( -3.000 0.000 0.282) 3.013 41.854 ( -4.294 0.000 1.608) 4.585 42.248 ( 6.862 -0.000 13.206) 14.882 44.618 ( -0.785 0.000 -26.318) 26.329 45.485 ( 0.172 -0.000 13.895) 13.896 46.048 ( 3.743 -0.000 -1.872) 4.186 ======================= Grid point 68 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 8.597 -13.087 23.726) 28.427 1.380 ( 26.307 -30.965 22.960) 46.670 2.149 ( 5.600 -3.960 51.091) 51.549 2.486 ( 2.594 17.055 4.634) 17.863 2.790 ( 0.283 -2.630 -3.602) 4.469 2.997 ( 3.412 -16.619 7.229) 18.442 3.246 ( 5.210 4.048 9.173) 11.300 3.332 ( 4.205 -6.892 -17.475) 19.250 3.476 ( 5.517 4.397 -7.640) 10.399 3.599 ( -1.321 -1.938 1.248) 2.657 3.784 ( -4.631 -0.247 -4.537) 6.488 3.892 ( -0.608 4.358 2.613) 5.118 4.112 ( 7.207 0.999 -3.514) 8.080 4.263 ( 3.220 -8.736 -10.286) 13.874 4.452 ( -4.757 -6.560 -15.434) 17.432 4.622 ( -7.334 -5.746 -2.512) 9.650 5.298 ( 0.447 5.086 -0.982) 5.200 5.430 ( 7.478 -4.078 -7.309) 11.224 5.641 ( -1.922 4.815 -9.162) 10.527 5.697 ( 3.136 2.841 -7.127) 8.288 5.787 ( 2.062 -2.557 3.215) 4.597 5.870 ( 1.851 -7.800 -3.720) 8.837 6.402 ( 0.228 1.936 2.832) 3.438 6.525 ( 3.331 1.286 8.502) 9.222 6.867 ( 2.736 0.754 11.126) 11.482 7.078 ( 2.618 -3.594 4.515) 6.337 7.142 ( 8.510 3.073 -7.447) 11.718 7.250 ( 3.314 -1.129 -7.793) 8.543 7.552 ( -10.745 1.067 9.017) 14.068 7.572 ( -5.319 1.700 1.629) 5.817 7.888 ( 0.513 -1.139 -9.444) 9.526 8.081 ( -3.601 -0.222 1.635) 3.961 8.388 ( -4.097 -3.928 -5.882) 8.174 8.582 ( 11.031 -13.374 -6.005) 18.347 8.864 ( 3.084 0.378 12.758) 13.131 8.958 ( 1.027 -1.726 13.250) 13.401 9.238 ( -2.428 -0.531 4.172) 4.857 9.529 ( -6.885 6.206 -2.435) 9.584 9.761 ( -4.167 -10.068 0.785) 10.925 9.998 ( 5.453 5.134 -0.701) 7.523 10.626 ( 1.877 -3.533 8.311) 9.223 10.802 ( -2.627 5.509 3.947) 7.269 11.285 ( 0.951 1.304 0.159) 1.622 11.453 ( 2.607 0.340 -1.625) 3.090 11.565 ( -0.782 -6.116 2.301) 6.581 11.582 ( 7.022 7.965 -2.705) 10.958 12.045 ( 2.392 -5.156 -10.124) 11.610 12.260 ( -6.381 2.103 -18.444) 19.630 12.757 ( -2.464 15.106 0.773) 15.325 13.171 ( 7.218 -15.915 -7.927) 19.189 13.341 ( -9.113 -2.635 -0.724) 9.514 13.570 ( -5.374 -2.758 1.007) 6.123 14.379 ( 9.603 5.874 -2.566) 11.546 14.846 ( 2.758 2.377 -5.493) 6.590 15.282 ( -1.723 1.735 -3.442) 4.223 15.554 ( 4.114 4.585 -3.759) 7.216 15.634 ( 2.868 -1.744 -4.769) 5.832 15.827 ( 8.549 -1.695 -14.274) 16.724 17.142 ( -5.242 4.591 2.248) 7.322 17.169 ( -12.162 8.076 7.769) 16.537 18.838 ( -9.217 3.129 7.073) 12.032 19.048 ( -8.381 8.026 15.858) 19.650 19.084 ( -2.557 0.029 4.156) 4.880 19.388 ( -5.184 5.838 16.919) 18.633 19.499 ( 2.701 0.730 1.961) 3.417 19.611 ( 0.755 -0.812 -0.499) 1.216 19.687 ( -2.372 1.594 6.372) 6.984 19.778 ( 0.220 -8.950 -0.501) 8.967 20.417 ( -0.282 4.041 -4.150) 5.799 20.426 ( -2.245 -5.375 0.457) 5.843 20.490 ( -4.358 -0.502 -4.500) 6.284 20.659 ( 1.672 1.549 -0.218) 2.290 20.830 ( 3.757 -1.620 0.784) 4.166 20.931 ( -1.219 -2.013 2.937) 3.764 21.011 ( 2.843 -0.553 4.043) 4.973 21.318 ( 20.593 -6.333 -6.083) 22.387 21.536 ( -0.179 1.127 1.516) 1.897 21.587 ( 3.245 -6.532 -1.713) 7.492 21.690 ( -5.938 -2.346 1.336) 6.523 21.999 ( -1.837 -0.652 -1.800) 2.653 22.753 ( 1.657 -0.730 0.388) 1.852 22.887 ( -3.349 -7.009 1.399) 7.893 23.424 ( 2.854 0.751 -8.764) 9.247 24.011 ( 6.222 8.941 -17.072) 20.251 26.885 ( -0.900 -2.528 12.189) 12.480 27.043 ( -3.549 1.780 14.868) 15.389 27.858 ( -2.991 1.187 -9.891) 10.401 28.108 ( 1.202 0.241 -7.023) 7.129 31.898 ( 0.611 0.414 1.833) 1.976 31.929 ( -2.052 0.054 -0.279) 2.071 31.965 ( 0.528 1.277 -0.471) 1.460 32.009 ( -1.230 -0.745 -0.517) 1.528 35.634 ( 0.182 -1.667 -0.014) 1.677 35.706 ( 4.631 -3.504 -0.651) 5.843 36.107 ( 0.190 0.759 1.172) 1.409 36.773 ( 32.893 -22.274 -26.731) 47.881 39.107 ( -0.032 -0.082 0.877) 0.882 39.312 ( -0.221 -1.082 -4.689) 4.817 39.817 ( -0.975 1.610 2.867) 3.429 40.118 ( 3.010 -0.600 -1.602) 3.462 41.320 ( -2.615 -2.384 2.376) 4.263 41.592 ( 1.203 0.283 1.251) 1.759 41.679 ( -0.341 -2.896 -2.015) 3.545 41.823 ( -1.081 1.470 1.109) 2.135 42.489 ( 10.292 -2.515 17.670) 20.603 44.375 ( -2.799 4.476 -27.243) 27.750 45.142 ( -37.027 43.850 34.700) 67.066 45.679 ( -16.904 0.655 12.700) 21.153 ======================= Grid point 69 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 6.056 -11.626 19.954) 23.874 1.980 ( -0.810 -0.858 29.825) 29.848 2.332 ( 3.748 3.651 -0.625) 5.269 2.575 ( 3.832 -0.389 18.032) 18.439 2.792 ( 1.663 0.835 -2.535) 3.145 3.106 ( 0.984 5.120 -0.936) 5.297 3.329 ( 4.880 -6.669 -21.056) 22.620 3.465 ( 6.852 -9.045 9.371) 14.717 3.494 ( 2.820 1.766 5.300) 6.258 3.579 ( 0.363 -1.411 -0.382) 1.506 3.777 ( 3.687 -1.520 0.832) 4.074 3.859 ( -0.225 -2.624 -6.239) 6.772 4.116 ( 3.369 -1.223 -7.948) 8.718 4.373 ( -2.425 -5.231 -1.706) 6.013 4.429 ( 6.745 -11.301 -9.055) 15.975 4.711 ( -1.797 -15.516 1.244) 15.669 5.216 ( -2.888 5.252 3.450) 6.916 5.397 ( 4.134 7.024 -15.336) 17.367 5.553 ( 3.844 4.012 -2.081) 5.933 5.696 ( -0.266 -8.365 -14.041) 16.346 5.914 ( 2.897 -4.783 9.213) 10.777 6.079 ( 14.403 -12.961 -0.354) 19.379 6.386 ( -1.561 3.067 5.011) 6.079 6.588 ( 2.504 1.021 5.911) 6.500 6.924 ( 2.178 4.698 6.319) 8.170 7.111 ( 6.170 -0.221 -9.728) 11.522 7.235 ( 4.705 2.313 -2.538) 5.825 7.270 ( 8.571 -7.947 -6.581) 13.414 7.435 ( -13.324 1.916 10.203) 16.891 7.559 ( -1.808 -0.294 5.996) 6.270 7.875 ( 3.386 -1.608 -7.258) 8.169 8.097 ( -0.164 -1.927 3.552) 4.044 8.371 ( -5.370 -9.586 -6.153) 12.593 8.771 ( 2.197 -9.073 -5.336) 10.752 8.978 ( 2.142 2.469 12.464) 12.885 9.101 ( 1.978 -1.485 10.624) 10.908 9.229 ( -2.661 2.821 1.868) 4.305 9.352 ( -3.749 5.161 -0.278) 6.385 9.786 ( -4.386 -1.812 -1.241) 4.905 10.002 ( 7.431 4.121 -1.675) 8.660 10.712 ( -2.096 -1.619 -1.923) 3.273 10.733 ( -1.996 3.412 8.278) 9.173 11.258 ( 2.555 6.686 0.736) 7.195 11.397 ( -5.518 -1.162 -4.081) 6.961 11.526 ( 10.318 13.416 -7.846) 18.655 11.673 ( -6.922 -11.693 1.449) 13.665 11.991 ( -4.397 5.757 -1.813) 7.467 12.082 ( -7.473 1.482 -1.751) 7.817 12.618 ( 5.366 4.020 -2.943) 7.322 13.093 ( -8.171 5.255 -9.278) 13.434 13.480 ( 3.506 -17.649 -1.836) 18.088 13.657 ( 5.488 -8.440 1.867) 10.239 14.407 ( 3.109 -0.170 -2.116) 3.764 14.751 ( 0.531 7.372 -6.030) 9.539 15.231 ( -0.358 0.616 -2.722) 2.814 15.510 ( 0.718 3.190 -1.537) 3.613 15.652 ( 3.142 -1.079 -6.513) 7.312 15.848 ( 7.967 -0.918 -13.101) 15.360 16.932 ( -9.348 5.469 4.345) 11.669 17.149 ( 0.963 3.408 1.067) 3.698 18.710 ( -13.413 6.196 13.929) 20.306 18.916 ( -10.374 12.438 17.840) 24.096 19.097 ( 0.142 -1.797 0.307) 1.828 19.338 ( -3.822 5.714 7.346) 10.061 19.512 ( -1.027 2.100 1.425) 2.738 19.625 ( -0.371 -0.548 1.732) 1.854 19.673 ( -2.544 1.901 6.057) 6.840 19.910 ( 3.493 -8.514 -0.306) 9.208 20.339 ( -0.129 2.681 -4.391) 5.146 20.413 ( 1.021 3.966 -2.093) 4.599 20.447 ( -7.665 -6.695 -1.673) 10.313 20.684 ( 1.683 0.843 2.348) 3.010 20.854 ( 2.159 1.224 -0.552) 2.543 20.972 ( 0.778 -1.697 1.271) 2.259 21.062 ( 0.746 -0.444 2.628) 2.767 21.441 ( -1.184 2.253 0.405) 2.577 21.635 ( 7.534 -0.684 0.946) 7.623 21.697 ( 0.798 -1.679 0.106) 1.862 21.746 ( 10.720 -13.182 -9.235) 19.338 22.001 ( -1.499 -5.070 -0.514) 5.312 22.800 ( 2.422 -1.232 1.945) 3.342 22.952 ( -1.751 -6.589 0.927) 6.880 23.399 ( 3.709 0.090 -7.042) 7.960 23.869 ( 4.082 5.909 -11.903) 13.902 27.004 ( -0.055 -2.580 11.831) 12.109 27.117 ( -1.175 -1.081 12.752) 12.851 27.736 ( -2.122 1.491 -9.030) 9.395 28.041 ( 0.126 1.584 -8.394) 8.543 31.878 ( -2.526 0.785 0.592) 2.711 31.927 ( -1.630 2.732 -0.460) 3.214 31.938 ( 1.384 -0.226 1.238) 1.870 31.998 ( -0.703 -0.127 -0.635) 0.955 35.657 ( 0.646 -1.310 0.045) 1.462 35.845 ( 6.492 -6.774 -0.401) 9.391 36.105 ( 0.328 1.285 0.918) 1.613 37.134 ( 18.636 -15.822 -23.084) 33.623 39.090 ( -2.336 1.175 0.288) 2.631 39.322 ( 1.625 -4.042 -3.368) 5.507 39.783 ( -2.218 3.815 2.415) 5.031 40.171 ( 4.621 -2.044 -2.374) 5.583 41.354 ( -1.979 -4.854 2.245) 5.702 41.595 ( -0.747 1.092 2.318) 2.669 41.708 ( 0.846 -2.013 -1.797) 2.828 41.808 ( 1.320 2.448 1.833) 3.331 42.787 ( 10.150 -3.079 16.752) 19.828 44.027 ( -9.331 12.298 -19.747) 25.065 44.565 ( -23.353 21.408 29.345) 43.184 45.555 ( -12.483 3.690 5.880) 14.283 ======================= Grid point 70 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.634 3.823 14.258) 14.776 1.970 ( -10.811 4.745 17.500) 21.110 2.361 ( 1.198 1.994 2.536) 3.441 2.487 ( -8.355 13.296 3.178) 16.022 2.846 ( 2.690 -6.308 -3.895) 7.887 3.013 ( 0.859 4.806 -7.373) 8.843 3.294 ( 2.408 -2.050 -14.751) 15.086 3.468 ( -6.157 -3.882 -9.818) 12.221 3.601 ( -4.135 -0.370 3.709) 5.567 3.676 ( 8.063 1.872 7.159) 10.944 3.866 ( 3.808 -4.869 -0.450) 6.197 3.990 ( 9.749 -6.247 6.805) 13.430 4.153 ( 4.247 -1.359 -2.483) 5.104 4.393 ( -2.091 -3.463 2.447) 4.728 4.620 ( 7.109 -10.622 -7.490) 14.814 4.900 ( -1.893 -14.924 1.337) 15.103 5.073 ( 0.140 12.045 -8.107) 14.519 5.360 ( 2.382 -1.993 2.686) 4.106 5.559 ( 6.381 2.750 -2.508) 7.387 5.652 ( -6.036 -8.609 -14.499) 17.910 6.093 ( 2.369 -3.600 15.710) 16.290 6.379 ( 2.477 2.198 5.147) 6.120 6.421 ( 8.829 -7.242 1.971) 11.588 6.698 ( 8.121 -5.418 -1.716) 9.912 6.930 ( 2.622 3.607 0.192) 4.463 7.082 ( 8.023 3.422 -10.389) 13.565 7.273 ( 1.459 -3.037 -3.256) 4.685 7.350 ( -6.962 0.790 14.376) 15.993 7.469 ( 11.456 -8.311 -8.631) 16.578 7.611 ( -2.571 -3.194 10.128) 10.926 7.870 ( 0.280 2.240 -2.510) 3.376 8.138 ( 1.117 -0.389 0.690) 1.369 8.391 ( -8.315 -11.760 -3.656) 14.859 8.805 ( -2.953 -4.174 -3.208) 6.036 8.972 ( -7.377 4.621 -6.982) 11.159 9.062 ( 3.538 5.975 9.805) 12.015 9.238 ( 0.356 3.614 4.696) 5.937 9.368 ( 2.572 0.128 9.355) 9.703 9.718 ( -0.328 1.943 -4.342) 4.769 10.046 ( 5.797 2.132 -1.385) 6.330 10.621 ( -7.275 1.858 -4.056) 8.534 10.709 ( -2.051 4.904 4.165) 6.753 11.206 ( 4.669 9.834 0.383) 10.893 11.300 ( -9.030 -2.645 -0.926) 9.455 11.428 ( 10.187 9.879 -9.400) 17.022 11.701 ( -12.370 -14.994 -3.485) 19.748 11.863 ( -6.504 5.066 6.920) 10.763 11.971 ( -2.497 6.366 5.153) 8.563 12.726 ( 8.532 -3.525 1.255) 9.316 12.914 ( -2.182 1.200 -8.118) 8.492 13.717 ( -2.053 -17.109 3.294) 17.544 13.847 ( 12.651 -0.343 -3.977) 13.266 14.438 ( -1.937 -6.529 0.651) 6.842 14.642 ( 3.476 6.411 -5.896) 9.378 15.215 ( 0.133 -0.619 -1.436) 1.569 15.478 ( -0.692 0.796 -0.695) 1.263 15.654 ( 3.581 -0.954 -6.308) 7.316 15.864 ( 6.723 -1.508 -11.999) 13.837 16.819 ( -3.961 2.715 0.716) 4.855 17.120 ( -0.078 2.518 0.781) 2.637 18.560 ( -13.790 6.739 15.025) 21.478 18.724 ( -12.317 13.922 12.531) 22.418 19.121 ( 0.057 -1.466 -0.875) 1.708 19.296 ( 1.740 2.420 1.293) 3.249 19.434 ( -4.761 4.243 -0.310) 6.385 19.643 ( 0.273 0.980 3.749) 3.885 19.665 ( -0.987 0.526 1.321) 1.731 20.062 ( 4.861 -7.103 -0.778) 8.642 20.283 ( -1.903 0.099 -2.146) 2.870 20.371 ( 1.376 2.723 -0.848) 3.167 20.431 ( -2.676 -2.158 0.974) 3.573 20.681 ( -0.899 2.920 3.040) 4.310 20.890 ( 2.836 -1.705 -0.531) 3.352 20.999 ( 0.113 -0.299 1.248) 1.288 21.085 ( -0.755 -0.583 2.204) 2.401 21.387 ( -1.742 2.113 -0.770) 2.845 21.661 ( 3.531 3.569 -4.644) 6.839 21.745 ( -0.630 -3.832 2.437) 4.584 21.907 ( 6.161 -5.140 -8.749) 11.871 22.082 ( 0.712 -7.145 -2.377) 7.564 22.859 ( 1.160 -1.135 3.149) 3.543 23.008 ( -1.001 -3.502 1.336) 3.880 23.424 ( 5.080 -1.162 -3.212) 6.122 23.815 ( 4.013 0.472 -6.304) 7.488 27.081 ( -2.590 0.161 7.328) 7.774 27.188 ( -1.382 0.895 8.590) 8.747 27.669 ( 1.233 -0.652 -4.254) 4.477 27.989 ( 1.623 -1.090 -5.927) 6.241 31.840 ( -1.978 0.796 -0.688) 2.240 31.868 ( -1.800 2.153 0.165) 2.811 31.962 ( 0.708 0.399 0.178) 0.832 31.988 ( -0.172 -0.258 0.252) 0.399 35.681 ( 0.569 -0.965 0.335) 1.169 35.996 ( 3.192 -6.686 -0.343) 7.417 36.097 ( 1.762 2.723 0.581) 3.295 37.368 ( 12.300 -12.576 -11.955) 21.268 39.041 ( -2.329 1.107 -0.087) 2.581 39.379 ( 1.265 -4.431 -3.753) 5.943 39.721 ( -1.658 3.899 3.205) 5.312 40.230 ( 3.866 -1.623 -3.746) 5.622 41.412 ( -2.027 -5.401 1.958) 6.092 41.589 ( -0.965 0.905 2.791) 3.089 41.711 ( -0.062 1.271 1.185) 1.739 41.833 ( 2.848 0.944 3.103) 4.316 43.014 ( 4.825 0.424 12.440) 13.350 43.578 ( -13.502 15.166 -15.451) 25.516 44.398 ( -5.068 5.005 15.082) 16.680 45.363 ( -10.810 4.928 -1.614) 11.989 ======================= Grid point 71 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -7.086 15.923 4.806) 18.079 1.865 ( -12.533 15.001 17.604) 26.306 2.289 ( -7.895 -0.294 -1.444) 8.031 2.401 ( 6.065 -3.794 -1.303) 7.272 2.863 ( -3.812 -4.780 -16.144) 17.263 2.987 ( 2.325 -2.266 4.383) 5.454 3.230 ( -4.305 1.432 -3.610) 5.798 3.350 ( 1.640 -1.075 -16.133) 16.252 3.507 ( -6.964 -1.404 -7.856) 10.592 3.803 ( 9.239 5.173 4.953) 11.690 3.973 ( 0.751 -2.890 4.965) 5.794 4.125 ( 2.209 2.740 1.467) 3.813 4.208 ( 0.647 -0.597 3.277) 3.393 4.465 ( 4.238 -1.798 6.853) 8.256 4.710 ( 1.787 1.677 -4.402) 5.038 4.889 ( 1.150 1.702 -8.549) 8.792 5.068 ( 1.623 -7.227 5.078) 8.981 5.436 ( 0.001 -3.777 -0.769) 3.855 5.566 ( -4.470 -3.005 -1.101) 5.498 5.628 ( 0.752 -7.734 -6.346) 10.033 6.262 ( 0.992 -0.064 17.865) 17.893 6.372 ( -1.316 4.451 1.495) 4.876 6.547 ( 2.226 -2.000 1.073) 3.179 6.789 ( -0.622 5.658 3.173) 6.516 6.879 ( 8.620 4.088 -10.966) 14.535 7.105 ( 0.218 -4.022 -8.400) 9.316 7.238 ( -5.467 6.152 -0.737) 8.263 7.401 ( 0.869 3.485 8.874) 9.573 7.603 ( -0.152 -9.442 -5.659) 11.009 7.725 ( 4.273 -1.636 9.103) 10.188 7.783 ( -3.074 5.658 1.574) 6.629 8.142 ( -1.306 -0.142 -0.120) 1.319 8.384 ( -9.230 -10.222 -1.812) 13.891 8.789 ( 3.855 5.656 -5.986) 9.093 8.827 ( -3.721 -5.156 -0.944) 6.429 9.135 ( -3.243 5.482 -2.834) 6.971 9.192 ( 4.898 -0.193 10.581) 11.661 9.428 ( -0.050 3.742 6.152) 7.200 9.701 ( 5.377 1.545 -3.404) 6.549 10.061 ( 4.749 4.095 -0.641) 6.303 10.490 ( -5.885 -1.564 -2.999) 6.788 10.670 ( 1.073 0.632 0.133) 1.253 11.145 ( 7.524 7.422 -3.403) 11.103 11.261 ( -12.523 -10.408 2.222) 16.434 11.414 ( 13.508 9.748 -4.357) 17.218 11.709 ( -11.752 -14.196 -4.058) 18.871 11.840 ( -1.165 -1.622 7.156) 7.429 11.945 ( 3.323 4.184 5.373) 7.577 12.766 ( -2.435 2.223 -0.138) 3.300 12.983 ( 7.830 -7.934 -0.835) 11.179 13.749 ( -3.371 6.615 -1.021) 7.494 13.995 ( 5.236 -6.617 -0.199) 8.441 14.478 ( -2.290 1.219 -0.205) 2.602 14.650 ( 4.539 -5.488 -0.687) 7.155 15.231 ( 0.373 -2.185 0.115) 2.219 15.456 ( -1.478 -0.347 -1.185) 1.926 15.695 ( 5.010 -2.893 -4.027) 7.049 15.886 ( 5.904 -3.058 -11.327) 13.134 16.772 ( -0.829 0.549 0.416) 1.078 17.107 ( 0.232 -0.481 -1.034) 1.164 18.421 ( -11.971 6.826 12.667) 18.718 18.474 ( -8.721 9.550 3.974) 13.530 19.123 ( 0.673 0.108 -1.195) 1.376 19.300 ( -4.392 3.235 -2.225) 5.891 19.350 ( 3.541 -0.382 1.201) 3.758 19.642 ( -0.343 2.192 1.353) 2.599 19.663 ( -0.126 -0.007 1.098) 1.105 20.136 ( 0.823 0.978 -2.824) 3.099 20.308 ( 2.344 -4.993 3.024) 6.290 20.374 ( 0.736 -1.290 0.063) 1.487 20.449 ( 1.720 0.976 3.032) 3.620 20.658 ( -0.688 2.022 2.610) 3.373 20.923 ( 1.368 -0.389 -2.603) 2.966 21.006 ( -1.690 0.203 3.736) 4.106 21.086 ( -1.828 0.216 1.293) 2.249 21.345 ( -0.502 0.329 -2.423) 2.496 21.605 ( 1.465 4.099 -4.912) 6.563 21.780 ( -3.428 -3.089 -0.512) 4.643 21.953 ( 5.998 0.487 -5.759) 8.329 22.098 ( -4.250 -4.100 -5.477) 8.054 22.901 ( -1.084 -1.268 4.491) 4.790 23.036 ( 0.734 -0.074 1.296) 1.491 23.494 ( 4.583 -0.786 0.821) 4.722 23.845 ( 2.400 -2.826 -3.417) 5.042 27.038 ( -5.017 3.165 1.927) 6.237 27.164 ( -3.615 5.116 4.357) 7.631 27.731 ( 5.124 -3.062 2.128) 6.337 28.026 ( 2.618 -4.200 -2.018) 5.345 31.800 ( -0.896 0.597 -2.175) 2.427 31.847 ( 0.061 -0.221 0.534) 0.581 31.949 ( -0.556 0.539 -0.720) 1.057 32.004 ( 0.511 -0.327 0.981) 1.154 35.696 ( -0.081 -0.205 0.597) 0.636 36.057 ( -4.309 -4.649 -0.593) 6.366 36.093 ( 4.390 5.219 0.535) 6.841 37.605 ( 10.226 -11.510 -3.260) 15.738 39.018 ( -0.141 -0.122 0.048) 0.193 39.367 ( -2.256 -0.325 -6.109) 6.520 39.727 ( 1.532 -0.409 4.810) 5.065 40.239 ( 1.364 0.512 -5.200) 5.401 41.452 ( -2.207 -2.557 1.969) 3.909 41.593 ( -0.291 0.842 4.171) 4.265 41.716 ( -1.202 -0.919 4.259) 4.520 41.888 ( 2.934 1.164 5.392) 6.248 43.051 ( -5.054 6.944 8.874) 12.350 43.101 ( -11.101 14.096 -21.264) 27.822 44.493 ( 5.752 -3.042 11.194) 12.948 45.168 ( -6.000 2.613 -8.713) 10.897 ======================= Grid point 72 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -10.819 18.034 7.293) 22.258 1.556 ( -14.152 22.730 12.470) 29.537 2.246 ( -7.362 -7.508 1.041) 10.567 2.521 ( -1.734 -3.290 -12.245) 12.798 2.733 ( -0.452 -0.738 -4.669) 4.749 3.019 ( -5.368 2.214 0.032) 5.807 3.159 ( -3.370 -3.436 4.939) 6.897 3.321 ( 7.548 1.399 -11.273) 13.639 3.437 ( 0.045 -6.805 -7.196) 9.904 3.801 ( 4.998 10.152 -4.043) 12.016 3.997 ( -6.207 0.095 6.351) 8.881 4.096 ( 0.029 3.599 -0.921) 3.715 4.207 ( -1.319 2.451 2.687) 3.869 4.537 ( 4.299 8.595 -2.943) 10.051 4.678 ( 3.844 -0.496 7.592) 8.524 4.906 ( 0.964 -5.355 -6.333) 8.349 5.181 ( 1.648 3.481 9.442) 10.197 5.459 ( -0.258 -8.561 -7.036) 11.084 5.557 ( -2.744 -2.574 1.447) 4.032 5.724 ( -1.471 -9.098 1.633) 9.359 6.256 ( -2.733 8.189 -0.699) 8.661 6.375 ( -4.226 0.258 13.931) 14.560 6.538 ( -13.641 8.932 -3.313) 16.638 6.596 ( 1.895 0.727 -9.160) 9.382 6.783 ( -9.559 14.319 -2.011) 17.334 7.022 ( 3.090 7.134 -1.888) 8.000 7.052 ( -2.920 1.604 -7.456) 8.167 7.347 ( -0.874 8.491 0.359) 8.544 7.640 ( -5.622 -8.062 -1.257) 9.908 7.736 ( -0.949 2.951 9.823) 10.301 7.893 ( 7.422 -2.367 4.280) 8.889 8.118 ( -0.122 1.513 0.432) 1.578 8.427 ( -9.307 -11.824 4.326) 15.657 8.758 ( 5.613 3.937 -4.965) 8.465 8.862 ( -4.752 -3.986 1.476) 6.375 8.939 ( -3.688 8.335 -3.480) 9.756 9.379 ( -2.121 0.398 5.902) 6.284 9.406 ( 8.078 -0.828 6.658) 10.501 9.751 ( 7.780 0.180 -3.460) 8.517 10.060 ( 4.651 6.795 2.436) 8.587 10.470 ( -1.230 -3.692 -2.696) 4.734 10.716 ( 3.336 -2.239 -3.462) 5.304 11.199 ( 11.020 -1.290 -4.625) 12.021 11.283 ( -7.257 -12.036 2.028) 14.200 11.423 ( 9.051 8.677 -1.456) 12.623 11.677 ( -11.919 -9.984 -5.285) 16.422 11.970 ( 6.213 -6.999 4.365) 10.327 12.035 ( 5.408 -1.802 5.867) 8.180 12.715 ( -3.683 -1.307 0.160) 3.911 13.173 ( 8.591 -5.875 -0.100) 10.408 13.587 ( -2.524 10.163 -0.225) 10.474 14.003 ( -3.806 8.165 1.266) 9.097 14.443 ( -1.875 -2.634 -3.909) 5.073 14.748 ( 0.479 -3.793 -0.517) 3.858 15.278 ( 0.315 -3.539 1.253) 3.767 15.431 ( -2.093 -1.252 -2.133) 3.240 15.759 ( 3.254 -0.523 -3.081) 4.511 15.930 ( 7.399 -3.498 -10.711) 13.479 16.794 ( 0.223 -1.548 5.390) 5.612 17.114 ( 1.338 -2.581 -5.880) 6.560 18.300 ( -2.019 1.959 5.567) 6.237 18.423 ( -3.075 -2.182 11.282) 11.896 19.119 ( -0.233 0.171 -1.917) 1.939 19.188 ( -3.346 3.454 -0.141) 4.811 19.421 ( 3.163 -1.685 -0.405) 3.607 19.622 ( -0.003 0.925 0.130) 0.934 19.663 ( 0.121 1.553 1.477) 2.146 20.075 ( -0.006 5.656 -0.947) 5.734 20.406 ( 2.993 -0.532 -0.825) 3.150 20.441 ( -1.320 -7.255 3.367) 8.107 20.495 ( 6.241 1.983 3.324) 7.344 20.653 ( -0.095 1.112 2.511) 2.748 20.901 ( 0.088 1.122 -3.735) 3.901 21.001 ( -4.402 -0.283 4.588) 6.365 21.048 ( -2.139 2.454 -0.277) 3.267 21.322 ( -0.804 -0.943 -4.632) 4.795 21.542 ( 0.131 2.505 -2.772) 3.739 21.693 ( -6.536 3.113 -5.299) 8.972 21.968 ( 3.936 2.986 -1.934) 5.305 22.066 ( -4.741 -7.486 -3.239) 9.434 22.929 ( -4.272 -2.249 5.767) 7.521 23.059 ( 4.745 3.104 2.071) 6.036 23.554 ( 2.814 1.092 2.814) 4.127 23.856 ( -1.160 -2.433 -7.272) 7.755 26.937 ( -4.869 4.399 1.696) 6.777 27.053 ( -5.699 6.821 3.298) 9.480 27.866 ( 6.217 -2.659 3.609) 7.664 28.098 ( 1.902 -4.059 -2.000) 4.908 31.784 ( 0.577 -1.156 -2.087) 2.455 31.883 ( 2.319 -2.299 0.550) 3.312 31.934 ( -0.396 0.254 -0.145) 0.493 32.016 ( 0.145 -0.057 0.535) 0.557 35.692 ( -0.691 0.760 0.653) 1.217 35.999 ( -6.775 2.362 -0.314) 7.182 36.084 ( 1.994 2.480 0.210) 3.189 37.840 ( 9.269 -9.457 -6.033) 14.552 39.040 ( 1.822 -1.097 0.325) 2.152 39.276 ( -2.379 1.607 -6.213) 6.845 39.802 ( 1.128 -2.381 3.226) 4.165 40.182 ( -0.584 2.415 -5.636) 6.159 41.452 ( -2.880 -0.460 2.607) 3.912 41.628 ( 0.477 -0.180 6.578) 6.598 41.763 ( -2.311 -3.573 5.815) 7.206 41.959 ( 3.587 2.049 9.773) 10.610 42.601 ( -13.248 13.599 -23.291) 30.048 42.916 ( -6.261 12.905 9.000) 16.934 44.744 ( 10.896 -6.619 10.583) 16.569 45.029 ( -1.147 -0.440 -14.315) 14.368 ======================= Grid point 73 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -13.179 17.461 13.940) 25.941 1.189 ( -16.386 22.965 27.970) 39.727 2.064 ( -25.864 26.591 -5.368) 37.481 2.306 ( -5.820 -12.113 1.536) 13.526 2.836 ( 3.962 -3.673 -3.720) 6.559 2.969 ( 1.073 1.027 2.781) 3.153 3.158 ( -4.822 0.888 4.593) 6.719 3.411 ( 5.411 -8.090 0.428) 9.742 3.531 ( 7.570 -5.409 -7.616) 12.023 3.661 ( 3.250 10.956 -9.676) 14.974 3.896 ( -10.963 3.653 3.088) 11.961 4.022 ( -3.759 2.919 -0.383) 4.775 4.139 ( -6.346 4.146 2.570) 8.004 4.471 ( 8.326 8.556 -3.850) 12.545 4.731 ( 1.272 6.923 -3.940) 8.067 4.957 ( 1.267 -8.999 -1.120) 9.157 5.147 ( -3.936 7.216 6.603) 10.544 5.517 ( 9.482 1.580 -7.763) 12.356 5.646 ( -3.942 -13.319 5.594) 14.974 5.779 ( -2.843 -2.826 -4.184) 5.794 6.042 ( -11.801 9.670 -11.134) 18.887 6.131 ( -2.870 8.160 -5.997) 10.525 6.405 ( -8.723 -1.692 6.313) 10.900 6.492 ( -12.025 5.796 2.075) 13.509 6.626 ( 2.304 0.287 3.460) 4.166 6.892 ( 0.423 7.714 -3.699) 8.566 7.058 ( 6.411 0.976 -5.462) 8.479 7.274 ( 2.885 5.484 2.446) 6.662 7.657 ( -5.658 -8.095 -2.828) 10.273 7.774 ( 0.378 3.805 10.409) 11.089 7.998 ( -0.897 -4.526 1.785) 4.948 8.122 ( 2.321 1.450 1.378) 3.065 8.444 ( -5.767 0.093 3.003) 6.503 8.685 ( -8.168 2.518 3.389) 9.194 8.786 ( 1.687 2.887 -5.384) 6.337 8.883 ( -2.192 3.495 3.092) 5.156 9.368 ( -4.676 -3.406 6.022) 8.350 9.605 ( 7.166 -4.983 2.785) 9.162 9.829 ( 6.315 -1.990 -3.307) 7.401 10.066 ( 7.776 8.628 7.030) 13.577 10.485 ( 2.219 0.455 -0.875) 2.428 10.674 ( -6.727 -0.835 -9.382) 11.575 11.310 ( 6.859 3.034 -2.184) 7.812 11.385 ( -2.964 -8.471 -1.127) 9.045 11.452 ( 13.632 0.802 -0.762) 13.676 11.611 ( -10.104 -8.653 -4.634) 14.087 12.143 ( 1.779 -1.346 1.809) 2.872 12.227 ( 9.732 -14.455 0.491) 17.433 12.714 ( -1.881 -3.810 -0.724) 4.310 13.343 ( 9.363 -3.187 -1.179) 9.961 13.462 ( 1.247 8.514 2.448) 8.947 13.801 ( -5.020 13.942 3.056) 15.130 14.317 ( -12.832 1.188 -14.368) 19.301 14.785 ( 3.616 -1.761 -4.139) 5.772 15.335 ( -1.061 -4.111 1.748) 4.591 15.414 ( -1.020 -2.922 -2.637) 4.066 15.722 ( 0.171 4.092 -4.978) 6.446 15.963 ( 7.485 1.798 -13.067) 15.166 16.908 ( 0.615 -5.595 14.071) 15.155 17.123 ( 2.147 -2.088 -3.930) 4.941 18.447 ( 5.826 -10.319 12.061) 16.908 18.619 ( 4.888 -10.544 17.171) 20.734 19.061 ( -3.890 0.464 -2.916) 4.883 19.154 ( 0.961 2.553 2.058) 3.416 19.444 ( 0.669 0.611 -1.385) 1.655 19.629 ( 0.073 -1.236 -0.039) 1.239 19.654 ( 1.150 2.379 1.742) 3.165 19.992 ( 2.724 8.662 -2.897) 9.531 20.422 ( 3.819 3.642 -1.985) 5.638 20.495 ( -2.770 -4.273 2.975) 5.898 20.598 ( 2.765 -3.435 1.184) 4.566 20.667 ( 2.673 2.130 4.723) 5.830 20.854 ( -1.340 1.164 -3.553) 3.972 20.953 ( -7.385 0.774 2.694) 7.899 20.970 ( -2.673 4.783 0.243) 5.485 21.236 ( -6.838 0.730 -8.067) 10.601 21.514 ( 0.845 1.479 -0.455) 1.763 21.556 ( -2.898 1.677 -0.736) 3.429 21.977 ( 0.451 -1.614 1.058) 1.982 22.110 ( -3.721 -10.477 -2.307) 11.355 22.919 ( -8.078 -2.034 5.088) 9.761 23.126 ( 11.386 5.455 4.117) 13.279 23.583 ( 2.439 2.249 3.128) 4.560 23.732 ( -7.008 1.494 -17.298) 18.724 26.844 ( -3.564 4.988 4.746) 7.753 26.922 ( -6.569 5.280 4.423) 9.517 27.985 ( 5.289 -1.249 1.154) 5.555 28.135 ( 1.823 -1.907 -4.417) 5.145 31.813 ( 1.511 -2.479 -0.554) 2.956 31.926 ( 0.608 0.053 0.360) 0.709 31.965 ( 2.165 -3.949 0.613) 4.545 32.018 ( 0.393 0.595 0.208) 0.743 35.672 ( -0.683 1.621 0.458) 1.818 35.851 ( -8.036 4.625 -0.225) 9.275 36.084 ( 1.368 1.268 0.333) 1.895 37.844 ( 2.681 3.832 -42.272) 42.530 39.077 ( 1.439 -0.374 0.220) 1.503 39.223 ( 1.313 -0.019 0.099) 1.317 39.825 ( -1.959 -0.641 -1.122) 2.346 40.116 ( 0.057 1.520 -2.781) 3.169 41.437 ( -3.942 -1.274 2.335) 4.756 41.692 ( -0.858 -2.509 4.945) 5.612 41.797 ( -1.797 -0.368 -2.421) 3.037 42.074 ( 1.352 4.201 9.096) 10.110 42.125 ( -10.189 8.052 -12.194) 17.814 42.877 ( 4.084 9.833 51.775) 52.859 44.927 ( 2.308 -1.576 -20.299) 20.490 45.055 ( 10.949 -6.540 12.859) 18.111 ======================= Grid point 74 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -12.773 18.438 16.960) 28.121 1.088 ( -20.804 21.785 34.974) 46.157 1.306 ( -23.680 29.896 39.729) 55.072 2.443 ( -3.870 -16.910 2.309) 17.500 2.849 ( -1.378 0.681 0.269) 1.560 2.904 ( -1.417 15.184 2.730) 15.492 3.158 ( -3.327 -3.183 3.492) 5.779 3.440 ( 3.620 9.238 -13.546) 16.791 3.562 ( -1.396 -5.059 -3.192) 6.142 3.620 ( 0.384 -3.346 -2.794) 4.376 3.794 ( 2.936 3.606 4.834) 6.707 3.963 ( -1.163 -2.470 -2.901) 3.984 4.004 ( -8.811 2.717 1.160) 9.293 4.420 ( 5.937 9.135 -9.966) 14.766 4.595 ( 0.394 4.873 -5.710) 7.516 4.973 ( -7.533 2.835 -6.649) 10.440 5.132 ( 4.556 -3.060 2.901) 6.208 5.559 ( 5.124 1.542 -3.482) 6.384 5.636 ( 0.613 3.687 -16.446) 16.866 5.748 ( -3.512 -8.749 -4.436) 10.419 5.888 ( -0.226 -0.780 -4.378) 4.452 5.988 ( -2.991 4.832 -5.043) 7.598 6.350 ( -8.298 -1.479 7.899) 11.551 6.396 ( -0.730 0.818 -0.734) 1.320 6.669 ( 1.714 2.324 7.014) 7.585 6.839 ( -3.221 3.206 12.395) 13.202 7.100 ( 9.037 -1.029 -9.631) 13.247 7.268 ( 3.182 5.045 -0.644) 5.999 7.660 ( -5.737 -7.007 -2.257) 9.333 7.762 ( -5.290 3.107 5.293) 8.103 8.017 ( -3.780 -2.267 -0.410) 4.427 8.153 ( 0.955 -1.928 -0.236) 2.165 8.355 ( 6.636 10.492 -4.836) 13.323 8.585 ( -12.687 -1.575 4.596) 13.585 8.772 ( 0.108 1.753 2.323) 2.913 8.795 ( -3.296 5.644 6.123) 8.956 9.425 ( -10.028 -11.807 6.531) 16.812 9.700 ( -0.236 -2.417 -5.889) 6.370 9.903 ( 3.025 -2.498 -0.959) 4.039 10.067 ( -2.472 14.168 -9.140) 17.041 10.501 ( -0.318 -3.623 0.634) 3.692 10.508 ( 1.417 4.558 2.511) 5.393 11.266 ( 4.256 8.459 -2.044) 9.687 11.436 ( -4.075 -5.950 -0.445) 7.226 11.575 ( 2.919 0.948 -0.921) 3.204 11.631 ( 1.709 -9.055 -7.979) 12.189 12.116 ( -2.295 1.417 -5.139) 5.804 12.509 ( 5.507 -11.917 -4.607) 13.913 12.731 ( 1.306 -3.910 -4.908) 6.409 13.297 ( -1.331 13.847 -6.535) 15.369 13.505 ( -0.833 3.082 2.507) 4.060 13.660 ( 6.142 10.474 0.713) 12.163 13.991 ( -8.941 -0.915 1.827) 9.171 14.809 ( 5.788 1.177 -7.030) 9.182 15.364 ( -2.321 -3.335 -0.404) 4.083 15.471 ( 3.068 -5.776 -0.213) 6.543 15.628 ( 1.092 5.353 -4.245) 6.919 15.881 ( 5.840 5.649 -16.612) 18.492 17.080 ( 2.649 -3.613 -1.169) 4.630 17.307 ( 5.547 -18.645 20.298) 28.114 18.803 ( 6.631 -10.205 19.665) 23.126 18.966 ( -1.620 -9.283 9.007) 13.035 19.017 ( 4.112 -2.809 7.450) 8.961 19.154 ( 1.279 2.453 5.217) 5.905 19.417 ( 0.435 3.127 -0.340) 3.176 19.628 ( -1.304 -0.218 0.589) 1.447 19.668 ( 0.541 -0.170 0.411) 0.701 19.850 ( 2.736 14.134 -9.007) 16.982 20.388 ( 3.171 6.213 -1.191) 7.077 20.542 ( -5.143 -8.937 0.398) 10.318 20.624 ( -1.877 -1.788 -1.951) 3.244 20.744 ( -7.677 0.916 -3.097) 8.328 20.778 ( 8.644 1.045 9.508) 12.893 20.876 ( -1.283 4.994 0.182) 5.159 20.898 ( 0.530 2.787 3.500) 4.506 21.072 ( -11.909 -1.209 -4.035) 12.632 21.507 ( 2.677 3.311 -0.674) 4.311 21.550 ( -1.273 -1.599 2.112) 2.939 22.006 ( 3.736 2.196 -4.691) 6.386 22.202 ( -20.141 -27.628 -4.017) 34.425 22.845 ( -9.789 0.398 0.777) 9.828 23.125 ( -4.002 19.179 -16.023) 25.310 23.447 ( 2.091 0.579 -9.462) 9.707 23.714 ( 17.970 -2.251 9.882) 20.631 26.807 ( -4.015 3.853 10.519) 11.900 26.874 ( -0.367 -2.061 10.013) 10.229 28.026 ( 1.027 -0.590 -4.531) 4.683 28.132 ( 4.007 2.467 -6.326) 7.884 31.854 ( 1.313 -0.786 0.255) 1.552 31.947 ( 0.399 -1.659 0.626) 1.818 32.000 ( -2.337 -1.565 -0.046) 2.813 32.042 ( 2.103 -0.185 -1.538) 2.613 35.642 ( -0.357 2.416 0.222) 2.453 35.714 ( -5.333 2.261 -0.412) 5.807 36.089 ( 0.831 0.849 0.756) 1.408 36.899 ( -24.435 54.261 -70.322) 92.122 39.087 ( 0.772 0.420 -0.122) 0.887 39.300 ( 4.408 -1.321 2.054) 5.039 39.801 ( -1.316 -0.805 1.455) 2.120 40.100 ( 0.537 0.099 -1.625) 1.714 41.405 ( -6.939 -1.378 0.748) 7.114 41.604 ( -1.305 9.026 -8.539) 12.493 41.721 ( -1.796 -0.394 1.351) 2.282 41.915 ( -9.372 0.223 6.124) 11.198 42.138 ( 3.090 1.743 3.069) 4.691 44.137 ( 61.201 -55.234 115.242) 141.694 44.828 ( 5.651 -1.141 -17.771) 18.682 45.351 ( 12.837 -1.991 13.844) 18.984 ======================= Grid point 76 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 29.368 -0.000 21.019) 36.115 1.602 ( 32.000 -0.000 21.770) 38.703 2.450 ( -6.593 0.000 32.010) 32.682 2.693 ( 4.715 -0.000 -5.814) 7.486 2.845 ( 9.867 -0.000 2.210) 10.112 3.002 ( 7.218 -0.000 16.834) 18.316 3.194 ( 3.602 -0.000 -22.554) 22.840 3.421 ( 6.319 -0.000 11.828) 13.411 3.445 ( -2.231 0.000 -9.974) 10.221 3.648 ( -4.975 0.000 -8.394) 9.758 3.693 ( 11.913 -0.000 2.800) 12.237 4.012 ( -0.031 0.000 11.762) 11.763 4.014 ( -0.047 0.000 -15.763) 15.763 4.199 ( -7.263 0.000 -15.141) 16.793 4.316 ( 10.116 -0.000 1.709) 10.259 4.500 ( -3.424 0.000 -3.017) 4.564 5.313 ( -1.107 0.000 -1.735) 2.058 5.446 ( 10.171 -0.000 -13.142) 16.618 5.586 ( 1.354 -0.000 -15.743) 15.801 5.667 ( -2.241 0.000 -3.041) 3.777 5.868 ( 0.173 -0.000 18.273) 18.274 5.870 ( 13.639 -0.000 -5.976) 14.891 6.428 ( -0.688 0.000 2.136) 2.245 6.626 ( 2.924 -0.000 4.557) 5.415 6.981 ( 2.139 -0.000 9.070) 9.318 7.073 ( 2.213 -0.000 -5.318) 5.760 7.216 ( 1.651 -0.000 -2.666) 3.136 7.219 ( 4.111 -0.000 -7.384) 8.452 7.495 ( -12.158 0.000 15.019) 19.323 7.575 ( -1.014 0.000 4.610) 4.720 7.841 ( 6.011 -0.000 -11.297) 12.797 8.011 ( -8.107 0.000 5.159) 9.609 8.317 ( 4.802 -0.000 -12.705) 13.582 8.570 ( 9.787 -0.000 -7.692) 12.448 9.019 ( -2.181 0.000 10.081) 10.314 9.060 ( 6.567 -0.000 19.385) 20.467 9.262 ( 0.963 -0.000 1.569) 1.841 9.485 ( -5.732 0.000 0.341) 5.742 9.701 ( -2.255 0.000 6.473) 6.855 10.115 ( 8.561 -0.000 -2.392) 8.888 10.654 ( -3.405 0.000 4.152) 5.370 10.795 ( -5.521 0.000 10.455) 11.823 11.129 ( -12.079 0.000 -6.147) 13.553 11.458 ( -5.806 0.000 -1.606) 6.024 11.701 ( 8.973 -0.000 3.601) 9.669 11.818 ( 19.894 -0.000 3.535) 20.205 11.897 ( 0.795 -0.000 -14.504) 14.526 12.058 ( -4.944 0.000 -17.480) 18.165 12.859 ( 2.474 -0.000 -12.461) 12.704 13.032 ( -7.407 0.000 3.466) 8.178 13.236 ( -4.342 0.000 1.040) 4.465 13.530 ( 1.359 -0.000 3.559) 3.809 14.411 ( 0.739 -0.000 -8.105) 8.138 14.863 ( 1.580 -0.000 -5.543) 5.764 15.236 ( -1.861 0.000 -4.235) 4.626 15.579 ( -2.026 0.000 -5.050) 5.441 15.619 ( 5.178 -0.000 -5.666) 7.675 15.838 ( 8.869 -0.000 -12.842) 15.607 17.035 ( -16.825 0.000 6.764) 18.133 17.181 ( -0.580 0.000 1.052) 1.201 18.796 ( -11.438 0.000 11.393) 16.145 19.074 ( 1.334 -0.000 -1.818) 2.255 19.100 ( -12.986 0.000 18.954) 22.976 19.443 ( -4.951 0.000 8.790) 10.088 19.544 ( 1.078 -0.000 1.867) 2.156 19.631 ( 2.301 -0.000 -2.565) 3.446 19.715 ( -6.257 0.000 13.681) 15.044 19.753 ( 2.037 -0.000 7.214) 7.496 20.231 ( -10.341 0.000 -6.349) 12.134 20.424 ( -3.608 0.000 -2.577) 4.434 20.481 ( 3.052 -0.000 0.060) 3.052 20.704 ( 1.296 -0.000 2.872) 3.151 20.920 ( -0.095 0.000 1.027) 1.032 20.964 ( 10.789 -0.000 -0.451) 10.798 21.063 ( 2.561 -0.000 1.342) 2.892 21.374 ( 11.033 -0.000 -10.830) 15.461 21.537 ( -3.187 0.000 3.985) 5.102 21.615 ( 6.569 -0.000 3.298) 7.351 21.686 ( 4.753 -0.000 -2.257) 5.262 21.936 ( -4.095 0.000 -2.482) 4.788 22.784 ( 2.733 -0.000 1.204) 2.986 22.868 ( 2.823 -0.000 2.951) 4.084 23.403 ( 3.971 -0.000 -9.324) 10.135 23.979 ( 2.408 -0.000 -17.391) 17.557 26.969 ( 0.718 -0.000 14.471) 14.489 27.114 ( -2.140 0.000 14.138) 14.299 27.756 ( -2.723 0.000 -9.997) 10.361 28.061 ( -0.377 0.000 -8.915) 8.922 31.889 ( -3.110 0.000 -0.263) 3.122 31.928 ( 1.080 -0.000 1.975) 2.251 31.977 ( 0.071 -0.000 -1.091) 1.094 31.985 ( -1.618 0.000 0.004) 1.618 35.667 ( 4.655 -0.000 1.000) 4.762 35.721 ( 4.143 -0.000 -2.241) 4.710 36.203 ( 8.432 -0.000 2.544) 8.808 36.834 ( 25.460 -0.000 -25.753) 36.214 39.118 ( 0.070 -0.000 1.259) 1.261 39.252 ( -1.001 0.000 -5.485) 5.576 39.839 ( -1.300 0.000 3.681) 3.904 40.130 ( 1.894 -0.000 -1.854) 2.651 41.293 ( -1.641 0.000 1.669) 2.341 41.603 ( -2.204 0.000 2.020) 2.990 41.683 ( 5.406 -0.000 -1.135) 5.524 41.842 ( 1.251 -0.000 0.696) 1.432 42.753 ( 11.551 -0.000 20.124) 23.204 44.156 ( -2.859 0.000 -29.720) 29.857 45.078 ( -54.401 0.000 35.219) 64.806 45.479 ( -13.685 0.000 6.974) 15.359 ======================= Grid point 77 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 27.521 16.616 18.328) 37.006 2.208 ( 4.298 0.776 25.517) 25.888 2.450 ( 0.409 2.147 3.893) 4.464 2.708 ( 5.174 5.416 0.770) 7.530 2.880 ( -1.030 4.842 -4.565) 6.734 3.079 ( 0.903 0.476 -10.767) 10.815 3.196 ( 5.743 -4.126 -5.105) 8.722 3.320 ( -8.019 -4.239 -11.583) 14.712 3.561 ( 0.572 -2.027 3.689) 4.248 3.680 ( 7.161 -6.576 6.388) 11.633 3.824 ( 10.216 6.973 3.026) 12.734 3.915 ( 4.029 3.098 -4.675) 6.905 4.078 ( 7.776 -5.231 -6.028) 11.143 4.193 ( -1.660 -10.058 0.928) 10.237 4.446 ( 6.258 -2.512 -3.037) 7.396 4.529 ( -0.894 -11.584 4.148) 12.337 5.265 ( -1.958 4.237 -0.500) 4.694 5.427 ( 7.215 -1.580 -24.093) 25.200 5.507 ( 1.402 3.116 -2.476) 4.220 5.655 ( 6.936 2.294 -5.415) 9.094 6.012 ( 7.308 -0.465 13.904) 15.715 6.153 ( 17.028 -10.498 5.084) 20.640 6.436 ( 0.902 1.000 3.012) 3.300 6.654 ( 0.282 1.625 1.608) 2.304 7.038 ( 1.251 3.110 4.362) 5.501 7.074 ( 1.253 -3.451 -6.405) 7.383 7.209 ( 1.020 -4.540 -3.901) 6.072 7.241 ( 4.720 -0.731 -6.126) 7.768 7.452 ( -7.457 2.628 14.259) 16.304 7.596 ( -0.495 1.627 6.617) 6.832 7.865 ( 6.596 -0.791 -7.990) 10.391 8.023 ( -5.590 -10.054 3.105) 11.915 8.279 ( 7.024 4.235 -10.002) 12.934 8.658 ( 3.514 -6.037 -6.513) 9.551 9.006 ( -5.298 0.501 -0.560) 5.351 9.265 ( 3.050 4.140 15.260) 16.103 9.297 ( 2.888 0.699 10.649) 11.055 9.418 ( -0.619 5.486 3.129) 6.346 9.710 ( -5.569 -2.478 4.194) 7.399 10.168 ( 8.783 5.934 -1.695) 10.735 10.609 ( -5.400 -1.620 -1.652) 5.875 10.826 ( -1.894 3.335 10.054) 10.761 10.981 ( -13.738 -9.171 -5.031) 17.267 11.332 ( -14.386 -9.252 -11.125) 20.404 11.695 ( 7.027 16.949 -3.565) 18.691 11.733 ( 0.949 9.160 -4.618) 10.302 12.010 ( 1.786 -3.235 1.256) 3.902 12.075 ( 9.166 2.221 1.500) 9.550 12.665 ( -0.793 7.543 -8.308) 11.249 13.089 ( 3.644 1.182 -3.293) 5.052 13.205 ( -6.341 -13.548 2.825) 15.222 13.707 ( 9.793 -9.239 5.889) 14.695 14.346 ( -1.627 -0.729 -8.898) 9.075 14.797 ( 0.343 4.204 -6.404) 7.668 15.194 ( -1.329 -0.831 -3.028) 3.409 15.502 ( -3.109 0.964 -3.103) 4.497 15.632 ( 2.796 -0.781 -6.940) 7.523 15.846 ( 6.328 -0.221 -12.199) 13.744 16.885 ( -9.812 2.070 3.205) 10.528 17.155 ( -3.919 0.223 0.196) 3.930 18.713 ( -13.492 4.126 16.223) 21.500 19.008 ( -11.437 6.961 12.222) 18.128 19.093 ( 1.402 -0.699 -0.389) 1.614 19.411 ( -1.900 5.244 4.913) 7.432 19.536 ( -2.066 3.091 1.079) 3.871 19.638 ( 0.653 -0.676 -0.803) 1.236 19.728 ( -4.807 1.693 12.749) 13.730 19.880 ( 4.044 -3.543 5.780) 7.894 20.099 ( -11.101 -8.285 -6.807) 15.434 20.365 ( -3.017 -2.268 -3.250) 4.981 20.508 ( 2.780 2.954 2.060) 4.550 20.726 ( -1.131 0.675 3.459) 3.701 20.934 ( 3.477 1.212 -0.254) 3.691 21.012 ( 3.603 3.915 0.323) 5.331 21.080 ( 1.189 1.002 -0.816) 1.756 21.428 ( -0.134 -1.124 -4.274) 4.421 21.577 ( -0.903 -7.405 1.297) 7.572 21.723 ( 6.289 1.243 -1.960) 6.704 21.775 ( 11.156 -3.894 -3.665) 12.371 21.890 ( -3.941 -4.616 -1.371) 6.222 22.836 ( 2.253 -0.667 3.017) 3.824 22.960 ( 6.642 -0.612 2.708) 7.199 23.405 ( 6.127 -0.567 -7.690) 9.849 23.880 ( 3.084 2.926 -12.038) 12.767 27.083 ( 0.107 0.075 13.398) 13.398 27.209 ( 1.908 0.593 12.738) 12.894 27.658 ( -1.504 -0.179 -8.491) 8.625 27.976 ( -1.150 -0.151 -10.364) 10.428 31.848 ( -2.901 0.047 -0.330) 2.920 31.929 ( -2.055 2.225 -0.100) 3.030 31.961 ( 0.615 -0.253 1.440) 1.586 31.975 ( -1.587 -0.833 -0.605) 1.892 35.708 ( 4.830 2.902 -0.156) 5.637 35.820 ( 5.481 -5.938 -0.328) 8.087 36.298 ( 13.490 10.127 2.113) 17.000 37.008 ( 15.352 -13.740 -20.854) 29.315 39.098 ( -0.928 3.129 0.101) 3.265 39.245 ( 0.360 -5.106 -4.163) 6.598 39.822 ( -2.590 3.263 3.897) 5.705 40.152 ( 0.950 -3.196 -2.621) 4.241 41.302 ( -1.129 -2.544 1.427) 3.127 41.592 ( -1.935 -0.170 2.469) 3.141 41.751 ( 5.928 1.143 0.085) 6.038 41.863 ( 2.142 0.935 1.402) 2.726 43.035 ( 10.296 0.740 18.491) 21.177 43.873 ( -4.640 5.978 -27.006) 28.046 44.635 ( -33.428 12.232 29.857) 46.460 45.342 ( -20.348 -5.518 0.864) 21.100 ======================= Grid point 78 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 5.326 19.124 12.879) 23.663 2.191 ( 6.974 14.694 18.313) 24.493 2.436 ( -2.857 4.609 -5.464) 7.698 2.574 ( -4.751 14.256 -2.252) 15.195 2.770 ( 3.031 -0.043 -14.568) 14.880 3.015 ( -0.297 4.363 3.657) 5.701 3.158 ( -11.763 -5.561 -8.890) 15.758 3.309 ( 9.985 -2.290 -9.080) 13.689 3.554 ( -6.520 1.172 -3.124) 7.324 3.816 ( 4.948 -2.147 0.314) 5.402 3.912 ( 12.453 0.430 -0.566) 12.474 4.068 ( 5.095 -6.918 7.866) 11.649 4.182 ( 1.573 -1.283 2.326) 3.087 4.360 ( 5.747 -8.214 4.287) 10.903 4.511 ( 2.371 -7.742 -6.856) 10.610 4.777 ( 4.359 -13.511 9.875) 17.293 5.132 ( -0.958 7.688 -8.153) 11.247 5.364 ( -0.443 -6.334 -20.929) 21.871 5.510 ( 5.675 8.068 10.189) 14.182 5.679 ( 11.486 5.685 -7.430) 14.814 6.237 ( 6.405 -1.873 15.608) 16.975 6.454 ( 3.019 1.177 3.379) 4.682 6.526 ( 10.469 -1.182 3.184) 11.006 6.683 ( 7.305 -8.901 -4.319) 12.298 6.990 ( -3.575 4.738 1.092) 6.035 7.092 ( 5.748 -0.729 -9.332) 10.984 7.242 ( 0.791 -2.247 1.676) 2.913 7.346 ( 4.835 -6.980 -0.104) 8.492 7.462 ( -2.097 -0.062 7.551) 7.837 7.646 ( 0.324 -2.027 8.588) 8.830 7.871 ( 0.489 0.939 -4.536) 4.658 8.103 ( -5.510 -11.406 -2.495) 12.910 8.262 ( 9.137 6.335 -4.556) 12.016 8.689 ( -2.172 -4.216 -3.859) 6.114 8.907 ( -3.600 1.348 -2.774) 4.740 9.267 ( 0.487 10.570 5.892) 12.111 9.305 ( -1.409 4.521 4.758) 6.713 9.455 ( 0.021 -0.632 6.514) 6.544 9.733 ( 1.874 -0.847 5.533) 5.903 10.179 ( 5.572 6.171 1.388) 8.429 10.517 ( -5.468 1.739 -5.636) 8.043 10.744 ( -6.679 5.661 -0.949) 8.807 10.937 ( -12.395 -12.777 -0.080) 17.802 11.248 ( -10.565 -13.624 -5.363) 18.055 11.495 ( -3.400 9.513 -3.809) 10.796 11.630 ( 1.546 7.973 -3.156) 8.714 12.039 ( 1.872 6.965 8.816) 11.391 12.079 ( 9.150 11.670 0.281) 14.832 12.693 ( 5.447 -11.822 -4.016) 13.622 12.959 ( 0.041 13.531 -1.459) 13.609 13.506 ( 5.181 -21.221 4.498) 22.303 13.973 ( 9.976 -3.286 0.797) 10.534 14.284 ( -4.178 -6.773 -4.573) 9.179 14.714 ( 2.541 4.151 -5.416) 7.282 15.178 ( -1.443 -1.845 -1.207) 2.635 15.444 ( -2.862 -0.361 -1.966) 3.491 15.626 ( 2.028 -2.248 -6.278) 6.970 15.832 ( 4.011 -1.418 -11.565) 12.323 16.788 ( -5.097 0.644 0.462) 5.158 17.094 ( -5.615 -0.623 0.035) 5.649 18.590 ( -13.154 7.387 16.425) 22.302 18.805 ( -12.496 12.827 7.497) 19.414 19.122 ( 2.388 -0.410 -0.902) 2.586 19.361 ( 0.151 3.845 0.044) 3.849 19.441 ( -3.657 5.136 0.701) 6.344 19.642 ( -0.456 -0.543 -1.246) 1.433 19.737 ( -0.840 3.395 8.451) 9.146 19.966 ( -2.871 -8.288 -5.049) 10.120 20.093 ( -4.342 -9.813 1.558) 10.843 20.374 ( -0.588 -2.809 1.824) 3.400 20.513 ( 2.216 3.215 2.329) 4.547 20.710 ( -2.301 1.063 2.308) 3.428 20.965 ( 5.749 3.899 -0.893) 7.003 21.011 ( 0.851 0.390 0.851) 1.265 21.078 ( -1.355 -0.734 1.318) 2.028 21.377 ( -1.612 1.557 -3.307) 3.995 21.650 ( -2.940 -6.494 0.917) 7.187 21.715 ( 2.293 3.783 -4.772) 6.507 21.873 ( 2.974 -3.860 -4.735) 6.794 21.974 ( 3.609 -6.295 -3.079) 7.882 22.889 ( 0.603 -0.181 4.306) 4.352 23.061 ( 7.599 1.893 1.827) 8.042 23.467 ( 7.522 -1.709 -3.550) 8.491 23.829 ( 3.679 1.470 -6.358) 7.492 27.127 ( -1.791 3.768 6.869) 8.037 27.291 ( 1.581 4.385 9.077) 10.204 27.641 ( 2.186 -3.846 -2.214) 4.947 27.923 ( 0.497 -3.559 -7.530) 8.343 31.810 ( -2.298 0.045 -1.109) 2.552 31.871 ( -2.112 1.974 0.056) 2.891 31.952 ( -1.901 -0.221 -0.589) 2.002 31.986 ( -0.016 -1.037 1.129) 1.533 35.729 ( 4.059 2.374 -0.336) 4.714 35.956 ( 5.404 -3.197 1.628) 6.486 36.319 ( 12.302 12.850 -1.169) 17.828 37.258 ( 12.032 -16.437 -10.428) 22.884 39.049 ( -0.053 2.632 -0.361) 2.657 39.290 ( -0.197 -5.227 -4.420) 6.848 39.767 ( -3.136 3.341 4.252) 6.251 40.181 ( -0.788 -4.313 -3.810) 5.808 41.346 ( -0.671 -4.498 1.391) 4.756 41.596 ( -1.233 -0.121 3.573) 3.782 41.779 ( 2.801 4.264 1.508) 5.321 41.909 ( 3.917 0.220 3.067) 4.980 43.217 ( 4.929 5.770 14.336) 16.221 43.487 ( -9.376 14.662 -19.260) 25.958 44.441 ( -11.707 0.193 16.550) 20.273 45.134 ( -19.331 -5.555 -6.288) 21.073 ======================= Grid point 79 (33/114) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -6.189 20.995 11.127) 24.554 2.142 ( -4.033 20.016 8.760) 22.218 2.306 ( 7.467 11.399 -6.434) 15.070 2.414 ( 0.756 0.185 -2.965) 3.065 2.706 ( 5.259 2.150 -9.393) 10.977 3.033 ( 1.628 0.180 -0.259) 1.658 3.071 ( -7.040 -6.852 1.498) 9.937 3.350 ( 1.310 1.515 -16.505) 16.626 3.405 ( 1.827 3.606 0.566) 4.082 3.893 ( 1.977 -3.741 -3.588) 5.548 4.005 ( 3.828 3.247 -0.378) 5.034 4.178 ( -3.313 -0.415 7.774) 8.460 4.224 ( 3.167 -0.606 -0.391) 3.248 4.546 ( 6.098 -4.324 5.692) 9.396 4.617 ( 0.425 -7.892 -0.841) 7.948 4.950 ( 2.145 7.517 -5.361) 9.479 5.117 ( 7.427 -10.158 11.562) 17.088 5.283 ( -3.286 -5.054 -12.239) 13.643 5.567 ( 5.326 5.634 8.777) 11.711 5.681 ( 10.112 7.603 -7.142) 14.528 6.370 ( -2.765 0.137 6.166) 6.759 6.444 ( 2.388 5.936 3.104) 7.111 6.562 ( 1.336 0.166 -1.169) 1.783 6.838 ( -8.984 8.925 -0.295) 12.667 6.931 ( 9.849 -5.064 -0.328) 11.079 7.079 ( 5.507 5.782 -9.666) 12.538 7.258 ( -2.006 4.878 -0.048) 5.274 7.411 ( -1.001 -3.316 -9.094) 9.731 7.502 ( -4.948 -1.481 12.037) 13.099 7.749 ( -1.014 -3.270 4.859) 5.944 7.841 ( 0.537 -0.497 6.244) 6.287 8.117 ( -6.272 -7.475 -3.983) 10.540 8.270 ( 8.030 6.053 0.627) 10.075 8.696 ( -2.917 -6.435 -1.160) 7.160 8.874 ( 4.469 3.188 -3.869) 6.716 9.134 ( -6.791 6.542 -1.595) 9.563 9.324 ( 5.474 0.572 6.858) 8.793 9.469 ( -0.862 0.451 -0.243) 1.002 9.799 ( 4.089 4.044 3.066) 6.517 10.206 ( 5.031 2.972 5.548) 8.057 10.381 ( -3.071 0.836 -7.201) 7.873 10.631 ( -4.039 -3.460 -1.572) 5.546 10.976 ( -7.536 -11.938 2.679) 14.369 11.274 ( -0.272 -1.642 -1.171) 2.035 11.360 ( -8.466 -6.790 -5.410) 12.126 11.559 ( 0.857 2.098 -1.431) 2.680 12.050 ( 2.668 3.250 0.138) 4.208 12.084 ( 12.839 12.355 8.078) 19.564 12.775 ( -5.559 8.000 -0.067) 9.742 12.931 ( 8.855 -12.421 -1.672) 15.346 13.759 ( 3.438 -1.661 -0.279) 3.829 14.023 ( 4.762 0.569 -1.130) 4.927 14.345 ( -7.243 -9.538 -0.983) 12.016 14.705 ( 5.071 1.160 -0.223) 5.207 15.188 ( -1.550 -3.211 0.708) 3.635 15.401 ( -3.126 -0.872 -2.024) 3.825 15.675 ( 4.374 -5.363 -3.871) 7.929 15.832 ( 4.521 -3.836 -10.929) 12.434 16.754 ( -1.770 -1.717 0.838) 2.604 17.042 ( -4.796 -2.607 -1.430) 5.643 18.453 ( -10.930 7.281 13.571) 18.885 18.527 ( -9.391 12.145 3.555) 15.758 19.135 ( 1.000 0.820 -1.808) 2.223 19.286 ( -2.246 3.703 -1.275) 4.514 19.404 ( 2.015 1.065 1.199) 2.576 19.623 ( -1.249 -0.199 -1.599) 2.039 19.744 ( 1.578 3.910 4.759) 6.359 19.990 ( -5.960 -10.549 -4.745) 13.012 20.198 ( -2.357 -10.255 2.153) 10.740 20.404 ( -0.450 1.405 4.007) 4.270 20.541 ( 3.235 -0.257 1.683) 3.655 20.695 ( -0.350 0.851 2.408) 2.578 20.954 ( 3.609 3.790 -3.477) 6.283 21.026 ( -0.298 1.096 2.539) 2.782 21.083 ( -1.270 -0.172 2.995) 3.257 21.318 ( -0.918 0.738 -4.739) 4.884 21.641 ( -0.061 4.062 -4.634) 6.162 21.674 ( -3.654 -3.393 -0.855) 5.059 21.912 ( -0.521 -4.230 -4.551) 6.235 22.020 ( 2.938 0.062 -3.586) 4.637 22.909 ( -2.112 0.722 4.716) 5.218 23.135 ( 8.075 3.461 1.416) 8.899 23.562 ( 6.152 -0.857 0.138) 6.213 23.824 ( 1.892 0.088 -4.340) 4.735 27.062 ( -2.480 6.063 2.301) 6.943 27.259 ( -0.955 8.670 4.766) 9.940 27.757 ( 4.094 -5.938 2.955) 7.794 27.966 ( 1.852 -6.187 -3.513) 7.352 31.774 ( -1.054 0.045 -2.318) 2.547 31.845 ( -0.498 -0.423 0.591) 0.881 31.930 ( -1.700 -0.514 -0.258) 1.794 32.003 ( -0.375 -1.066 0.663) 1.310 35.741 ( 2.989 2.696 0.002) 4.025 36.045 ( 4.885 2.263 3.022) 6.174 36.270 ( 6.601 11.390 -3.181) 13.544 37.550 ( 11.584 -14.170 -4.649) 18.884 39.038 ( 2.218 1.037 -0.055) 2.449 39.282 ( -2.198 -1.547 -5.189) 5.844 39.745 ( -2.719 -0.926 4.048) 4.964 40.173 ( -2.822 -2.945 -4.775) 6.280 41.411 ( 0.104 -4.364 1.548) 4.632 41.612 ( -1.057 -0.073 3.844) 3.987 41.756 ( -0.537 3.728 3.703) 5.282 41.990 ( 4.482 0.351 5.491) 7.097 43.016 ( -11.767 18.920 -13.720) 26.165 43.222 ( -0.048 11.499 10.097) 15.303 44.541 ( 1.949 -8.997 9.516) 13.240 44.937 ( -13.214 -7.164 -12.274) 19.406 ======================= Grid point 80 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -6.824 21.305 17.288) 28.273 1.868 ( 1.197 27.181 5.368) 27.732 2.217 ( 2.006 5.720 -2.859) 6.702 2.393 ( -0.284 2.284 -6.297) 6.705 2.777 ( 12.127 0.466 -1.759) 12.263 3.004 ( -5.935 1.095 6.979) 9.227 3.142 ( 1.077 -2.930 1.781) 3.594 3.193 ( -4.868 -3.921 -8.070) 10.208 3.486 ( 11.749 0.139 -3.614) 12.293 3.894 ( -1.581 -1.435 -5.954) 6.326 3.927 ( -2.994 7.257 -2.170) 8.145 4.156 ( -3.283 5.171 5.684) 8.356 4.236 ( 1.947 2.469 -3.437) 4.658 4.606 ( -2.449 1.684 -6.492) 7.139 4.720 ( 5.465 -4.717 6.275) 9.565 4.923 ( 7.268 4.008 -1.701) 8.472 5.227 ( -2.826 -5.904 -5.840) 8.772 5.422 ( 4.981 -3.198 15.311) 16.415 5.610 ( 5.377 3.486 -0.589) 6.435 5.659 ( 4.353 3.130 -0.582) 5.393 6.283 ( -4.626 4.466 -2.033) 6.744 6.396 ( -8.819 5.080 1.450) 10.280 6.476 ( -12.932 18.679 -5.497) 23.374 6.595 ( 3.782 -0.811 -1.769) 4.253 6.821 ( -14.333 16.436 1.597) 21.866 7.005 ( 1.422 0.229 -5.042) 5.243 7.172 ( 8.699 7.655 -6.913) 13.493 7.370 ( -0.081 -0.822 -6.913) 6.963 7.496 ( -5.559 -1.936 4.340) 7.313 7.821 ( -0.341 -1.972 7.632) 7.890 7.923 ( -0.255 -0.272 7.761) 7.770 8.089 ( -6.682 -4.885 -2.381) 8.613 8.376 ( 7.299 -0.855 9.703) 12.172 8.730 ( -6.899 -4.194 2.746) 8.528 8.861 ( 6.434 3.553 -6.162) 9.591 8.960 ( -2.897 5.869 -1.699) 6.762 9.398 ( -1.834 2.278 1.557) 3.314 9.506 ( 5.517 -3.049 2.552) 6.801 9.795 ( 3.083 1.347 -3.219) 4.656 10.283 ( 4.157 2.141 7.052) 8.461 10.360 ( 4.208 -2.642 -8.272) 9.650 10.660 ( -2.767 -3.568 0.946) 4.613 11.091 ( -1.153 -12.667 1.497) 12.808 11.262 ( 1.468 -1.598 -4.111) 4.648 11.372 ( -3.360 -10.831 -4.646) 12.255 11.584 ( 5.263 0.352 1.095) 5.387 12.054 ( 4.109 2.643 -0.266) 4.893 12.163 ( 7.292 4.000 6.518) 10.567 12.636 ( -8.390 0.544 1.402) 8.523 13.184 ( 11.963 -8.614 -1.179) 14.789 13.697 ( 3.659 9.587 -3.960) 10.999 14.019 ( -6.546 3.233 -0.397) 7.311 14.294 ( -8.739 -3.511 -5.283) 10.798 14.763 ( 3.262 -0.114 1.661) 3.662 15.225 ( -2.055 -4.348 1.729) 5.111 15.357 ( -3.168 -1.403 -2.239) 4.125 15.758 ( 2.338 -1.957 -3.223) 4.437 15.908 ( 9.616 -6.247 -11.147) 15.992 16.804 ( -0.493 -3.969 6.737) 7.834 17.024 ( -1.213 -4.796 -5.134) 7.130 18.332 ( -3.922 3.200 7.207) 8.807 18.444 ( -4.884 -1.519 14.490) 15.366 19.090 ( -2.017 1.661 -2.972) 3.957 19.239 ( 1.114 3.894 2.055) 4.541 19.437 ( 2.138 -0.691 -0.148) 2.252 19.604 ( -0.812 -0.776 -0.919) 1.451 19.743 ( 1.317 3.970 3.086) 5.198 20.004 ( -4.453 -7.231 -4.157) 9.455 20.305 ( -3.759 -10.561 1.320) 11.288 20.398 ( -1.246 0.123 1.115) 1.677 20.594 ( 1.878 -0.507 0.724) 2.076 20.725 ( 3.227 0.318 3.192) 4.550 20.927 ( 4.361 4.414 -2.735) 6.781 21.008 ( -1.418 2.762 2.795) 4.177 21.080 ( -0.768 2.577 2.562) 3.714 21.253 ( -2.535 0.762 -6.467) 6.988 21.560 ( -0.739 2.972 -3.134) 4.381 21.629 ( -3.038 1.687 -1.855) 3.940 21.880 ( -5.366 -1.490 -1.028) 5.663 22.048 ( 5.404 -0.427 -3.901) 6.679 22.891 ( -4.934 0.489 4.717) 6.844 23.207 ( 8.137 3.168 2.267) 9.022 23.628 ( 3.510 0.785 0.821) 3.690 23.776 ( -1.462 2.037 -7.837) 8.229 26.974 ( -2.156 5.964 2.971) 7.003 27.141 ( -2.968 10.847 4.420) 12.083 27.893 ( 2.292 -5.801 1.451) 6.404 28.044 ( 2.412 -5.209 -3.068) 6.508 31.764 ( 0.895 -1.248 -1.532) 2.170 31.876 ( 0.862 -2.901 0.636) 3.093 31.920 ( -0.883 -0.713 0.078) 1.138 32.014 ( -0.263 -0.976 0.250) 1.042 35.736 ( 1.859 3.142 0.237) 3.659 36.041 ( 1.405 10.226 2.631) 10.652 36.187 ( 4.049 6.520 -2.124) 7.963 37.778 ( 9.523 -7.965 -13.568) 18.391 39.072 ( 3.652 0.141 0.586) 3.701 39.228 ( -1.449 0.277 -2.240) 2.682 39.755 ( -4.606 -3.690 1.495) 6.088 40.128 ( -2.568 -1.252 -4.119) 5.013 41.462 ( 0.719 0.233 2.200) 2.326 41.622 ( -2.400 -1.944 1.996) 3.677 41.745 ( -2.719 -0.465 4.718) 5.465 42.087 ( 3.403 -0.263 6.289) 7.156 42.545 ( -8.660 20.644 -10.171) 24.589 43.149 ( -1.815 11.983 21.635) 24.798 44.792 ( 5.049 -10.379 -17.185) 20.702 44.821 ( -3.890 -10.536 7.846) 13.701 ======================= Grid point 81 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -1.347 21.591 28.809) 36.027 1.608 ( 5.463 30.063 13.016) 33.212 2.111 ( -10.332 12.758 0.224) 16.419 2.249 ( 0.424 11.310 7.102) 13.361 2.863 ( 7.022 -0.041 -2.414) 7.426 3.044 ( 3.649 0.739 6.168) 7.205 3.135 ( -6.093 -1.869 2.978) 7.034 3.276 ( 2.740 -10.741 -0.967) 11.127 3.597 ( 3.965 -0.803 -2.868) 4.959 3.740 ( -1.368 10.745 -5.448) 12.125 3.822 ( 0.419 1.354 -8.756) 8.870 4.056 ( -3.901 7.317 2.813) 8.756 4.155 ( -2.523 6.832 -1.414) 7.419 4.519 ( 0.653 -0.037 -10.703) 10.723 4.821 ( 2.736 7.011 -2.745) 8.011 4.930 ( 3.543 0.122 0.723) 3.618 5.218 ( -0.623 4.345 -0.718) 4.447 5.469 ( -8.561 -6.405 2.071) 10.891 5.688 ( 12.309 7.221 -2.550) 14.497 5.698 ( -0.930 -3.560 1.937) 4.158 5.962 ( -6.182 13.024 -16.095) 21.608 6.119 ( -6.761 7.021 -2.840) 10.153 6.348 ( -5.429 -0.689 8.058) 9.740 6.463 ( -8.026 8.312 0.089) 11.555 6.704 ( 1.246 0.855 8.027) 8.168 6.967 ( 4.112 2.321 -5.947) 7.594 7.135 ( 5.400 5.299 -5.698) 9.471 7.345 ( 2.334 1.184 -4.442) 5.156 7.500 ( -2.707 -3.659 0.595) 4.590 7.831 ( -6.933 2.148 4.936) 8.778 7.953 ( -2.047 -2.125 2.343) 3.768 8.072 ( -3.665 -3.993 1.654) 5.666 8.536 ( 2.467 1.012 12.716) 12.993 8.641 ( -4.105 5.626 2.023) 7.252 8.847 ( 5.280 4.325 -5.865) 8.999 8.910 ( -2.398 2.012 4.566) 5.536 9.350 ( -3.680 2.150 4.227) 6.003 9.598 ( 2.122 -4.390 -4.131) 6.391 9.823 ( 2.870 -2.880 -3.036) 5.074 10.321 ( -2.930 2.363 -12.756) 13.300 10.374 ( 6.717 -0.343 4.723) 8.219 10.627 ( -3.464 2.795 5.043) 6.726 11.223 ( -1.683 -10.139 -3.801) 10.958 11.301 ( -1.086 -10.623 -7.761) 13.201 11.468 ( 6.848 1.103 3.125) 7.608 11.681 ( 12.060 1.715 -1.071) 12.229 12.066 ( -4.219 -3.802 -0.552) 5.706 12.287 ( 9.657 -1.281 4.029) 10.542 12.565 ( -10.897 -7.254 0.031) 13.091 13.402 ( 8.947 -3.241 -1.780) 9.681 13.632 ( 8.352 8.875 -2.650) 12.471 13.835 ( -6.722 2.561 -3.728) 8.102 14.096 ( -13.049 6.188 -7.501) 16.274 14.817 ( 3.813 -0.462 -0.974) 3.962 15.251 ( -3.847 -4.839 0.052) 6.182 15.358 ( 0.959 -3.214 -0.126) 3.356 15.738 ( 1.018 2.599 -4.941) 5.675 15.971 ( 7.161 -0.383 -15.871) 17.416 16.913 ( -1.941 -5.836 9.912) 11.665 17.067 ( 0.536 -6.348 -2.276) 6.765 18.456 ( 1.212 -11.158 17.291) 20.614 18.622 ( -1.452 -12.340 18.541) 22.319 19.034 ( -0.111 1.785 -0.868) 1.988 19.220 ( 0.257 3.378 2.485) 4.202 19.462 ( 1.369 0.470 0.595) 1.565 19.614 ( 0.608 -1.634 -0.506) 1.815 19.716 ( -1.467 3.435 2.004) 4.239 19.994 ( -0.672 -1.864 -6.195) 6.505 20.364 ( -5.050 -6.488 -1.480) 8.354 20.403 ( -1.048 -4.723 -1.717) 5.133 20.612 ( 0.794 0.007 -0.247) 0.832 20.788 ( 1.345 -0.616 1.653) 2.218 20.932 ( 10.727 8.585 -0.420) 13.746 20.971 ( -1.862 3.396 5.571) 6.785 21.023 ( -0.418 6.555 1.018) 6.647 21.123 ( -6.496 3.882 -4.603) 8.858 21.518 ( -1.186 -0.103 -0.011) 1.191 21.573 ( 1.723 2.692 -0.661) 3.264 21.843 ( -6.661 -3.873 3.405) 8.424 22.083 ( 5.103 0.681 -6.407) 8.219 22.840 ( -6.832 0.679 3.849) 7.871 23.285 ( 4.917 1.375 1.392) 5.292 23.567 ( -5.207 6.215 -12.558) 14.947 23.699 ( 5.473 0.903 -1.277) 5.692 26.913 ( -1.536 4.550 5.777) 7.513 27.000 ( -3.621 10.584 6.868) 13.126 27.959 ( -0.853 -4.545 -4.017) 6.125 28.108 ( 2.977 -3.626 -4.191) 6.291 31.804 ( 1.992 -2.374 0.504) 3.140 31.918 ( -1.136 -2.140 0.583) 2.492 31.937 ( 0.855 -2.135 0.010) 2.299 32.029 ( 0.647 -1.200 -0.381) 1.415 35.717 ( 1.288 3.141 0.191) 3.400 35.883 ( -3.440 11.417 -0.118) 11.925 36.182 ( 5.041 5.507 1.845) 7.690 37.670 ( 3.332 10.264 -41.375) 42.759 39.109 ( 2.291 1.333 0.362) 2.675 39.253 ( 2.747 -2.030 3.864) 5.157 39.743 ( -4.437 -3.715 0.679) 5.827 40.098 ( -0.229 -0.717 -2.552) 2.661 41.445 ( -1.385 4.346 3.292) 5.625 41.629 ( -3.676 -3.482 -0.842) 5.133 41.752 ( -2.279 -2.009 0.964) 3.187 42.046 ( -7.915 7.073 -6.930) 12.676 42.272 ( 5.766 12.540 7.297) 15.612 43.374 ( 3.138 -8.544 58.443) 59.147 44.710 ( -2.141 -7.799 -22.015) 23.454 45.145 ( 9.452 -12.964 9.765) 18.782 ======================= Grid point 82 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 4.462 36.132 15.531) 39.581 1.404 ( -6.969 26.833 26.211) 38.152 1.845 ( 4.304 23.237 42.716) 48.818 2.288 ( 0.155 -7.406 3.568) 8.222 2.906 ( 1.829 7.447 -2.355) 8.022 3.081 ( 2.596 -0.207 3.103) 4.051 3.095 ( -4.567 1.458 6.217) 7.850 3.422 ( 1.632 -7.253 -6.325) 9.761 3.505 ( 0.050 7.461 -4.794) 8.868 3.600 ( 2.967 3.923 -6.523) 8.170 3.826 ( -1.739 -4.920 -3.483) 6.273 3.938 ( -2.012 6.836 -0.300) 7.132 4.044 ( 3.338 5.866 0.454) 6.765 4.429 ( 0.982 2.769 -15.333) 15.612 4.659 ( 0.561 11.592 -6.218) 13.166 4.858 ( -8.153 5.463 -9.025) 13.333 5.207 ( 2.246 -1.325 6.719) 7.207 5.453 ( -2.691 -5.067 -8.615) 10.350 5.674 ( 6.260 3.411 -5.382) 8.932 5.710 ( 1.921 4.957 -5.418) 7.590 5.772 ( -1.467 -3.632 -7.174) 8.174 5.992 ( -0.334 6.499 -2.754) 7.067 6.357 ( -1.072 0.787 4.604) 4.793 6.415 ( -0.395 -2.238 9.621) 9.885 6.768 ( 0.299 0.466 10.088) 10.103 6.999 ( 7.265 2.713 3.516) 8.514 7.113 ( 5.518 0.630 -9.071) 10.636 7.301 ( 1.311 1.828 -8.400) 8.696 7.530 ( -1.160 -3.836 1.026) 4.137 7.698 ( -13.079 1.959 4.635) 14.014 7.950 ( -1.377 -1.240 -4.444) 4.815 8.094 ( -2.755 -2.096 2.623) 4.343 8.524 ( -4.977 4.751 4.103) 8.011 8.620 ( 11.479 10.569 -0.234) 15.605 8.814 ( 0.014 2.853 1.883) 3.419 8.890 ( -1.487 4.013 11.486) 12.258 9.300 ( -7.437 1.243 5.200) 9.160 9.589 ( -3.866 -2.903 -8.148) 9.475 9.887 ( 3.079 -4.792 -1.877) 5.998 10.038 ( -10.459 11.005 -10.922) 18.703 10.568 ( 10.689 -4.063 3.958) 12.101 10.622 ( 1.244 0.605 8.933) 9.039 11.239 ( -4.185 -7.667 -7.828) 11.729 11.412 ( 4.317 -10.445 -5.202) 12.441 11.501 ( 5.335 10.782 7.787) 14.330 11.720 ( 0.031 6.308 -5.947) 8.669 12.062 ( 0.538 -3.201 -1.925) 3.774 12.388 ( -0.750 -4.190 -11.257) 12.035 12.595 ( -4.340 -12.479 5.479) 14.303 13.391 ( 2.341 9.948 -12.203) 15.917 13.479 ( -7.741 2.830 -5.596) 9.962 13.744 ( -7.109 12.511 -2.889) 14.677 14.050 ( 17.156 -9.294 7.358) 20.853 14.840 ( 1.929 -0.818 -4.468) 4.935 15.275 ( -1.468 -4.807 -1.466) 5.236 15.445 ( 3.946 -5.115 0.106) 6.461 15.672 ( 1.708 3.857 -5.066) 6.592 15.893 ( 5.474 3.673 -17.326) 18.538 17.052 ( 0.136 -8.534 5.515) 10.162 17.130 ( -8.060 -9.259 5.445) 13.429 18.797 ( -4.750 -15.830 21.064) 26.774 18.845 ( -6.342 -10.858 11.744) 17.206 19.075 ( 3.289 -1.399 3.208) 4.803 19.226 ( -0.770 -1.840 10.892) 11.073 19.470 ( 0.946 1.707 1.845) 2.685 19.640 ( 1.147 0.623 -0.516) 1.404 19.661 ( -2.631 0.681 1.482) 3.096 19.918 ( 0.690 6.575 -7.856) 10.268 20.367 ( -1.812 -6.597 -4.717) 8.310 20.435 ( -0.667 -3.730 -2.273) 4.419 20.617 ( 1.819 2.194 -0.786) 2.957 20.711 ( -6.220 7.669 -0.634) 9.895 20.882 ( -3.074 2.898 0.283) 4.234 20.969 ( 1.889 4.578 3.554) 6.095 20.980 ( -4.295 3.312 1.805) 5.716 21.110 ( 20.148 5.127 4.917) 21.364 21.520 ( -1.525 -1.643 1.455) 2.673 21.589 ( 5.148 2.077 -1.438) 5.734 21.831 ( -9.736 -3.149 2.546) 10.544 22.044 ( 2.222 4.112 -6.566) 8.060 22.772 ( -4.159 1.200 1.706) 4.653 23.134 ( -8.777 13.761 -7.797) 18.088 23.431 ( 3.291 -0.641 -7.161) 7.907 23.840 ( 11.212 -8.744 -4.452) 14.899 26.887 ( -3.071 5.088 8.201) 10.128 26.949 ( -0.343 2.095 13.379) 13.546 27.936 ( -2.415 -2.732 -8.296) 9.062 28.133 ( 1.605 -1.577 -6.591) 6.964 31.862 ( 1.356 -1.636 1.667) 2.701 31.934 ( -0.468 -1.771 -0.076) 1.833 31.956 ( -0.950 -0.993 0.134) 1.381 32.039 ( -0.670 -0.398 -1.595) 1.775 35.696 ( -0.185 2.350 -0.010) 2.357 35.719 ( -0.639 7.952 -0.484) 7.993 36.163 ( -0.929 5.467 2.273) 5.993 37.094 ( 13.718 35.141 -46.286) 59.712 39.109 ( 0.474 1.329 0.492) 1.494 39.327 ( 1.868 -0.949 -0.749) 2.225 39.775 ( -0.394 -3.271 2.748) 4.291 40.098 ( 1.926 -0.279 -1.988) 2.782 41.381 ( -3.501 4.167 3.237) 6.332 41.594 ( -2.041 0.082 -1.473) 2.519 41.745 ( 1.508 2.876 -3.002) 4.423 41.848 ( -7.433 1.550 1.385) 7.718 42.320 ( 8.476 6.558 11.584) 15.781 44.254 ( -4.834 -45.220 52.140) 69.187 44.653 ( -3.319 -15.097 -6.178) 16.646 45.501 ( 8.214 -12.876 11.728) 19.256 ======================= Grid point 85 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -10.693 0.000 4.646) 11.658 2.432 ( 6.662 -0.000 24.667) 25.551 2.450 ( 6.626 -0.000 6.637) 9.378 2.711 ( -3.965 0.000 -26.794) 27.085 2.853 ( 12.041 -0.000 -2.003) 12.207 3.070 ( -2.649 0.000 -4.168) 4.939 3.162 ( 2.504 -0.000 0.320) 2.525 3.222 ( 0.086 -0.000 1.565) 1.568 3.514 ( 0.815 -0.000 -10.317) 10.349 3.802 ( 3.736 -0.000 12.352) 12.905 3.908 ( 2.878 -0.000 -8.282) 8.768 4.069 ( 13.318 -0.000 -8.182) 15.631 4.111 ( 9.812 -0.000 7.533) 12.371 4.152 ( 3.754 -0.000 1.254) 3.958 4.407 ( -4.040 0.000 3.520) 5.358 4.571 ( 9.405 -0.000 6.354) 11.350 5.244 ( 1.526 -0.000 -10.626) 10.735 5.273 ( 2.728 -0.000 -22.313) 22.479 5.695 ( 11.041 -0.000 11.438) 15.898 5.731 ( 9.236 -0.000 -3.131) 9.753 6.268 ( 8.560 -0.000 15.481) 17.690 6.324 ( 23.293 -0.000 -0.897) 23.310 6.496 ( 6.076 -0.000 1.859) 6.354 6.637 ( -3.712 0.000 -3.108) 4.841 7.003 ( -1.972 0.000 -1.855) 2.708 7.100 ( 1.133 -0.000 2.108) 2.393 7.181 ( 8.294 -0.000 -9.314) 12.472 7.271 ( 1.501 -0.000 3.920) 4.198 7.502 ( -1.946 0.000 12.054) 12.210 7.632 ( -4.006 0.000 7.055) 8.113 7.867 ( -5.756 0.000 -2.584) 6.310 7.915 ( 8.622 -0.000 -7.880) 11.681 8.358 ( 7.211 -0.000 -3.944) 8.219 8.622 ( 3.075 -0.000 -6.206) 6.926 8.925 ( -5.831 0.000 -1.909) 6.136 9.368 ( 1.919 -0.000 4.781) 5.152 9.442 ( -2.917 0.000 8.528) 9.013 9.493 ( 0.160 -0.000 5.840) 5.842 9.659 ( -4.007 0.000 12.465) 13.093 10.304 ( 7.361 -0.000 -0.931) 7.419 10.551 ( -3.824 0.000 3.648) 5.285 10.715 ( -9.809 0.000 -8.468) 12.958 10.909 ( -1.598 0.000 8.878) 9.021 10.949 ( -15.794 0.000 -19.803) 25.330 11.596 ( -16.600 0.000 -2.378) 16.770 11.991 ( 8.253 -0.000 -4.145) 9.235 12.024 ( 7.149 -0.000 7.675) 10.489 12.094 ( -5.845 0.000 -9.021) 10.749 12.872 ( 1.052 -0.000 16.527) 16.560 12.914 ( 16.211 -0.000 -9.629) 18.855 13.274 ( 6.511 -0.000 -2.041) 6.824 13.749 ( 3.143 -0.000 7.545) 8.173 14.272 ( 1.753 -0.000 -10.842) 10.982 14.764 ( -0.965 0.000 -6.970) 7.037 15.152 ( -1.714 0.000 -1.152) 2.065 15.441 ( -3.352 0.000 -2.363) 4.101 15.596 ( 0.521 -0.000 -7.121) 7.140 15.814 ( 2.493 -0.000 -11.574) 11.840 16.798 ( -8.054 0.000 1.382) 8.171 17.083 ( -6.612 0.000 -0.494) 6.631 18.706 ( -12.092 0.000 18.192) 21.844 18.985 ( -10.258 0.000 7.680) 12.815 19.111 ( 2.666 -0.000 -1.072) 2.874 19.470 ( -1.096 0.000 4.707) 4.833 19.514 ( -5.682 0.000 -1.882) 5.985 19.614 ( -0.613 0.000 -1.527) 1.645 19.737 ( -5.267 0.000 8.805) 10.260 19.840 ( -10.236 0.000 -9.363) 13.873 20.035 ( 4.993 -0.000 15.978) 16.740 20.260 ( -1.584 0.000 -7.730) 7.891 20.571 ( 0.916 -0.000 3.141) 3.272 20.712 ( -4.429 0.000 2.188) 4.940 20.984 ( 4.114 -0.000 0.964) 4.225 21.049 ( -2.173 0.000 4.008) 4.559 21.103 ( 1.512 -0.000 -6.363) 6.540 21.387 ( 1.897 -0.000 -6.697) 6.960 21.541 ( -1.598 0.000 4.222) 4.514 21.765 ( -1.462 0.000 -3.466) 3.762 21.827 ( 5.217 -0.000 -4.519) 6.903 21.868 ( 8.840 -0.000 1.325) 8.938 22.885 ( 1.665 -0.000 4.769) 5.051 23.096 ( 10.315 -0.000 3.326) 10.838 23.432 ( 8.185 -0.000 -7.894) 11.372 23.862 ( 3.533 -0.000 -8.468) 9.176 27.186 ( 0.371 -0.000 12.350) 12.356 27.354 ( 4.628 -0.000 12.868) 13.675 27.578 ( -0.761 0.000 -7.919) 7.955 27.875 ( -1.007 0.000 -11.505) 11.549 31.809 ( -2.642 0.000 -0.656) 2.722 31.919 ( -3.136 0.000 -1.160) 3.343 31.933 ( -2.238 0.000 0.676) 2.338 31.969 ( -0.489 0.000 1.136) 1.237 35.773 ( 3.693 -0.000 -2.650) 4.545 35.907 ( 11.329 -0.000 4.687) 12.260 36.632 ( 19.429 -0.000 5.070) 20.080 36.898 ( 9.634 -0.000 -21.311) 23.387 39.133 ( 0.244 -0.000 0.716) 0.756 39.167 ( 0.120 -0.000 -4.719) 4.721 39.833 ( -4.568 0.000 4.337) 6.299 40.100 ( -1.584 0.000 -3.168) 3.542 41.284 ( -0.594 0.000 0.904) 1.081 41.595 ( -1.265 0.000 3.993) 4.189 41.851 ( 7.652 -0.000 0.195) 7.654 41.902 ( 1.615 -0.000 1.596) 2.270 43.298 ( 8.993 -0.000 16.791) 19.048 43.689 ( -0.769 0.000 -25.211) 25.223 44.494 ( -31.320 0.000 27.394) 41.609 44.999 ( -22.403 0.000 -8.008) 23.791 ======================= Grid point 86 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -19.427 6.838 10.223) 22.993 2.354 ( -9.168 3.942 -6.898) 12.131 2.482 ( -1.799 0.725 -22.451) 22.535 2.641 ( 8.259 3.746 12.040) 15.074 2.927 ( 9.084 10.263 -0.805) 13.729 2.999 ( 1.769 7.407 0.160) 7.617 3.122 ( -1.379 6.116 2.862) 6.892 3.368 ( 11.096 -3.717 -1.884) 11.852 3.420 ( -5.868 -1.213 -10.026) 11.680 3.848 ( 3.138 1.574 -3.091) 4.678 3.984 ( 1.529 -6.935 3.118) 7.756 4.110 ( -3.847 -2.019 3.225) 5.411 4.204 ( 12.716 1.481 -2.511) 13.046 4.403 ( 10.527 -7.038 3.933) 13.260 4.428 ( -3.261 -4.667 8.181) 9.967 4.807 ( 7.996 -7.346 12.076) 16.240 5.137 ( 2.828 4.071 -13.016) 13.928 5.229 ( 8.220 -0.524 -15.459) 17.516 5.784 ( 9.059 8.646 6.263) 14.002 5.914 ( 15.395 5.709 3.663) 16.823 6.374 ( 0.359 3.298 1.988) 3.868 6.531 ( 0.742 -2.027 -1.415) 2.581 6.598 ( 8.185 2.612 -3.130) 9.144 6.696 ( 16.948 -8.070 -1.954) 18.873 7.012 ( 2.703 1.832 2.572) 4.156 7.111 ( 0.955 -0.896 -0.499) 1.401 7.256 ( 9.651 -0.759 -6.514) 11.669 7.361 ( 1.591 -3.248 10.925) 11.508 7.533 ( -1.338 5.755 7.113) 9.247 7.650 ( -3.016 -3.879 7.793) 9.213 7.800 ( -4.813 -3.322 -3.341) 6.735 7.972 ( 4.904 -2.544 -7.114) 9.008 8.417 ( 7.431 2.214 -0.477) 7.769 8.607 ( -0.954 -0.642 -4.241) 4.394 8.862 ( -2.320 -1.372 0.009) 2.696 9.291 ( -9.848 5.932 -1.087) 11.548 9.426 ( -1.281 -3.103 -1.719) 3.772 9.483 ( 0.618 8.748 8.260) 12.048 9.805 ( 2.837 -4.177 11.959) 12.982 10.332 ( 1.379 7.093 4.856) 8.706 10.466 ( -1.295 4.393 -10.079) 11.071 10.590 ( -13.004 -0.683 -10.197) 16.540 10.701 ( -6.014 -9.750 1.201) 11.518 10.989 ( -2.925 -8.554 0.626) 9.062 11.367 ( -15.896 -0.707 -1.050) 15.946 11.777 ( -5.427 12.237 -4.493) 14.120 12.036 ( -1.431 0.633 1.235) 1.993 12.266 ( 4.120 -9.976 1.898) 10.959 12.849 ( 19.199 15.386 4.488) 25.010 13.102 ( -2.376 11.256 -1.825) 11.648 13.461 ( 18.166 -15.192 4.599) 24.124 13.937 ( 0.593 -14.217 4.770) 15.008 14.205 ( 2.393 4.239 -8.470) 9.769 14.714 ( 0.432 -0.978 -5.318) 5.425 15.136 ( -1.664 -0.913 0.875) 2.090 15.392 ( -2.645 -0.038 -1.326) 2.959 15.563 ( 0.461 -2.648 -6.052) 6.622 15.754 ( -0.184 -1.938 -10.635) 10.811 16.721 ( -5.226 -0.727 0.093) 5.277 16.999 ( -6.836 -0.842 -0.130) 6.888 18.651 ( -10.655 6.584 16.610) 20.803 18.846 ( -10.234 9.617 4.630) 14.788 19.132 ( 0.659 -1.202 -2.061) 2.476 19.372 ( -3.821 3.826 -3.306) 6.337 19.469 ( -1.441 2.626 1.170) 3.216 19.610 ( -1.082 -1.956 -1.537) 2.713 19.698 ( -7.652 -6.218 -3.407) 10.432 19.776 ( -5.094 -5.857 3.358) 8.457 20.101 ( 3.965 5.929 1.922) 7.387 20.324 ( 1.461 -8.322 4.652) 9.645 20.568 ( -1.397 2.634 1.685) 3.425 20.677 ( -3.818 -1.787 1.082) 4.352 21.037 ( 1.558 0.366 0.585) 1.704 21.049 ( 0.508 2.049 -4.139) 4.646 21.062 ( -0.360 -0.753 4.515) 4.591 21.349 ( 0.349 1.294 -5.515) 5.675 21.570 ( -2.132 -3.133 2.798) 4.711 21.703 ( -3.176 0.468 -2.783) 4.249 21.874 ( 6.170 0.518 -3.901) 7.318 21.985 ( 6.508 -1.732 -1.309) 6.861 22.934 ( 0.188 0.718 5.607) 5.656 23.228 ( 9.618 3.245 2.889) 10.553 23.508 ( 8.536 -2.649 -5.204) 10.342 23.852 ( 3.552 1.287 -5.009) 6.274 27.228 ( -0.228 5.961 6.826) 9.065 27.447 ( 2.853 5.816 6.993) 9.532 27.588 ( 1.947 -6.721 -0.793) 7.043 27.822 ( 1.176 -4.237 -8.157) 9.267 31.773 ( -2.000 -0.070 -1.129) 2.298 31.859 ( -3.181 1.052 -0.227) 3.358 31.914 ( -2.340 -0.651 0.081) 2.430 31.972 ( -1.123 -1.055 0.646) 1.671 35.798 ( 3.901 1.384 -1.026) 4.265 36.097 ( 12.368 1.364 6.168) 13.888 36.643 ( 10.810 18.064 -7.648) 22.397 37.131 ( 13.681 -18.970 -5.174) 23.954 39.094 ( 1.593 3.452 -1.089) 3.955 39.199 ( 0.252 -4.475 -2.742) 5.254 39.772 ( -6.700 2.134 3.966) 8.073 40.073 ( -3.000 -3.677 -3.707) 6.022 41.302 ( -0.123 -2.816 0.752) 2.918 41.614 ( -1.057 0.004 4.881) 4.994 41.885 ( 2.501 5.007 1.018) 5.689 41.974 ( 5.152 -1.802 2.076) 5.840 43.450 ( -1.943 10.623 -0.978) 10.843 43.464 ( 4.844 8.363 -2.747) 10.048 44.352 ( -16.758 -4.580 16.723) 24.113 44.703 ( -20.811 -8.981 -12.792) 26.027 ======================= Grid point 87 (39/114) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -18.400 7.635 12.418) 23.475 2.192 ( -3.280 1.630 -3.701) 5.207 2.354 ( 2.949 0.066 -12.712) 13.049 2.650 ( 6.224 18.182 0.156) 19.219 2.862 ( -3.960 -4.813 -2.089) 6.574 3.018 ( 10.060 13.481 14.704) 22.341 3.105 ( 6.682 0.389 -6.699) 9.470 3.228 ( -5.299 3.590 -11.721) 13.355 3.501 ( 6.857 -0.566 -2.161) 7.212 3.842 ( 1.352 -0.603 -5.480) 5.677 4.024 ( -3.083 -0.167 -0.356) 3.108 4.170 ( -4.411 -5.332 13.158) 14.867 4.286 ( 8.636 3.281 -5.942) 10.984 4.549 ( -0.226 -7.800 10.384) 12.990 4.579 ( 1.612 -3.942 -0.666) 4.311 4.994 ( 2.557 0.741 -0.090) 2.663 5.127 ( 3.462 -5.669 1.723) 6.862 5.262 ( 11.958 1.853 -4.241) 12.822 5.826 ( 8.457 10.330 8.165) 15.649 5.967 ( 15.361 15.939 -6.630) 23.108 6.281 ( -8.097 -2.507 -1.533) 8.614 6.578 ( 3.970 0.906 -3.504) 5.372 6.597 ( 6.455 7.853 -2.278) 10.418 6.844 ( -1.785 3.940 0.297) 4.336 7.015 ( 2.167 2.374 -1.853) 3.710 7.132 ( -0.734 4.607 1.358) 4.858 7.309 ( 2.634 0.971 -7.734) 8.228 7.392 ( 6.220 10.941 -5.441) 13.711 7.498 ( -7.302 -0.672 13.574) 15.428 7.714 ( -2.458 -4.509 5.054) 7.205 7.836 ( -3.700 -8.008 8.900) 12.531 7.997 ( 4.651 -1.274 -6.221) 7.871 8.456 ( 5.015 5.563 3.246) 8.163 8.584 ( -2.512 -4.331 -0.758) 5.063 8.913 ( 3.747 -1.984 -1.962) 4.672 9.100 ( -8.021 3.664 -0.486) 8.832 9.414 ( 0.538 0.566 -3.200) 3.294 9.451 ( 1.366 1.258 1.233) 2.229 9.908 ( 0.307 4.045 4.314) 5.921 10.241 ( -4.748 2.549 -7.175) 8.974 10.354 ( 3.346 -4.793 -2.132) 6.222 10.530 ( -0.441 -2.684 2.048) 3.404 10.801 ( -3.517 -10.586 3.948) 11.833 11.054 ( -4.814 -10.786 -3.627) 12.356 11.239 ( -8.273 -4.017 0.578) 9.215 11.622 ( -0.103 3.517 0.091) 3.520 12.000 ( -5.357 -0.958 -0.042) 5.442 12.390 ( 4.584 0.919 3.252) 5.695 12.839 ( -3.621 16.665 0.757) 17.070 13.051 ( 22.022 2.650 0.512) 22.187 13.814 ( 8.684 -5.589 0.131) 10.328 14.035 ( -5.434 -1.130 -1.810) 5.838 14.161 ( 0.608 -2.725 -0.834) 2.914 14.731 ( 1.066 -3.185 -1.227) 3.576 15.144 ( -1.517 -1.799 2.058) 3.126 15.347 ( -2.919 0.312 -1.177) 3.163 15.618 ( 4.198 -7.489 -3.782) 9.381 15.733 ( 1.395 -6.204 -9.769) 11.656 16.701 ( -2.235 -3.439 1.155) 4.261 16.938 ( -4.988 -1.934 -0.657) 5.390 18.533 ( -8.206 8.926 13.240) 17.953 18.587 ( -9.492 12.839 2.839) 16.217 19.114 ( -1.963 -0.854 -3.555) 4.150 19.321 ( 2.105 2.171 0.251) 3.034 19.436 ( 0.269 1.086 0.176) 1.132 19.590 ( -1.663 -0.329 -2.184) 2.764 19.703 ( -6.914 -10.615 -2.195) 12.857 19.821 ( -1.862 -4.687 2.539) 5.646 20.110 ( 2.592 -0.775 -1.314) 3.007 20.426 ( -2.849 -0.025 5.307) 6.023 20.548 ( 0.790 -2.143 -0.018) 2.284 20.678 ( -1.955 -3.161 0.895) 3.823 21.001 ( 0.971 0.692 -4.545) 4.699 21.053 ( -0.192 1.268 3.694) 3.910 21.103 ( 0.309 -0.075 3.747) 3.761 21.295 ( 1.153 2.298 -5.540) 6.107 21.586 ( -3.290 -1.802 1.217) 3.944 21.641 ( -1.821 0.763 -2.574) 3.244 21.903 ( 4.437 1.812 -3.067) 5.690 22.043 ( 3.493 0.143 -1.918) 3.987 22.941 ( -1.983 2.711 5.297) 6.272 23.307 ( 8.072 4.476 2.515) 9.566 23.609 ( 5.611 -2.248 -2.057) 6.385 23.833 ( 1.998 2.329 -4.783) 5.683 27.155 ( -0.552 8.489 2.817) 8.962 27.409 ( 0.848 9.928 4.019) 10.744 27.708 ( 0.758 -8.562 0.116) 8.596 27.890 ( 2.930 -6.844 -2.696) 7.918 31.748 ( -0.528 -0.235 -1.470) 1.580 31.826 ( -1.849 -1.006 0.563) 2.179 31.898 ( -1.490 -0.883 -0.097) 1.734 31.977 ( -1.351 -1.730 0.257) 2.210 35.814 ( 2.996 2.771 0.323) 4.094 36.252 ( 11.239 5.144 6.702) 14.061 36.465 ( 3.963 16.034 -7.874) 18.297 37.483 ( 11.962 -15.012 -4.450) 19.704 39.091 ( 3.539 1.444 -0.261) 3.831 39.220 ( 0.244 -1.333 -2.115) 2.512 39.694 ( -7.810 -0.586 3.057) 8.408 40.054 ( -3.157 -4.032 -3.943) 6.463 41.361 ( 0.373 -5.226 0.892) 5.315 41.631 ( -1.570 0.296 4.265) 4.554 41.834 ( -0.134 6.448 1.256) 6.571 42.072 ( 3.857 -1.087 3.377) 5.241 43.093 ( -5.470 22.375 -6.354) 23.894 43.456 ( 1.399 11.725 10.314) 15.679 44.458 ( -1.500 -14.666 8.010) 16.778 44.524 ( -14.426 -13.383 -14.753) 24.594 ======================= Grid point 88 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -11.555 7.439 20.317) 24.528 2.130 ( 0.955 6.191 -2.495) 6.743 2.346 ( 7.798 7.650 -3.292) 11.409 2.495 ( 3.810 9.183 -0.221) 9.945 2.867 ( -3.436 -3.491 -0.622) 4.937 3.069 ( -4.296 1.992 -1.870) 5.091 3.121 ( 3.396 -0.918 7.645) 8.416 3.152 ( 12.262 6.305 -1.085) 13.831 3.562 ( 4.021 -1.448 -2.862) 5.144 3.807 ( -1.553 0.654 -4.522) 4.826 3.964 ( -1.451 3.629 -0.918) 4.015 4.237 ( -1.579 4.741 8.939) 10.241 4.273 ( 4.160 2.584 -6.507) 8.144 4.530 ( -2.941 1.112 -9.226) 9.747 4.727 ( 1.492 -8.283 7.364) 11.183 5.036 ( 4.344 0.178 0.748) 4.411 5.173 ( 2.466 0.376 -4.363) 5.026 5.415 ( -0.643 -4.848 9.316) 10.522 5.805 ( 1.447 14.650 0.218) 14.723 5.894 ( 14.114 9.862 -2.733) 17.434 6.262 ( 3.330 1.971 0.167) 3.873 6.426 ( -5.153 15.531 -4.955) 17.097 6.539 ( -4.814 15.187 -8.763) 18.182 6.646 ( -0.744 8.574 -0.191) 8.608 6.852 ( -13.756 11.822 6.508) 19.270 6.978 ( -1.557 1.054 -7.210) 7.452 7.280 ( 0.875 5.577 -8.025) 9.812 7.332 ( 4.795 -1.276 -1.770) 5.268 7.508 ( 1.223 3.806 4.529) 6.040 7.803 ( -1.349 -5.192 6.346) 8.309 7.872 ( -9.194 -3.975 0.666) 10.039 8.070 ( 5.182 2.155 5.050) 7.550 8.518 ( 3.503 -0.894 9.917) 10.555 8.632 ( -3.274 -5.472 4.184) 7.627 8.914 ( 2.078 1.700 -2.418) 3.613 9.000 ( 0.701 4.165 -2.633) 4.977 9.399 ( -0.646 0.133 -1.342) 1.495 9.501 ( 0.878 -4.095 -2.463) 4.859 9.829 ( -0.677 4.721 -1.618) 5.036 10.157 ( 0.218 -5.348 -14.002) 14.990 10.517 ( 6.571 0.004 4.435) 7.928 10.583 ( -2.208 -5.126 2.606) 6.160 10.928 ( -1.487 -12.354 0.049) 12.443 11.077 ( -3.522 -8.602 -5.596) 10.850 11.300 ( 1.487 -9.673 5.154) 11.061 11.675 ( 8.318 -0.654 1.865) 8.549 11.941 ( -10.369 -7.000 0.027) 12.511 12.434 ( 5.281 5.295 3.853) 8.413 12.593 ( -5.755 14.075 1.682) 15.299 13.326 ( 20.099 -0.475 -0.073) 20.104 13.821 ( -8.427 -1.032 -5.449) 10.088 13.892 ( 0.097 8.284 -5.120) 9.739 14.185 ( -2.688 1.080 0.750) 2.993 14.776 ( 0.071 -3.290 -0.132) 3.294 15.156 ( -3.186 -2.420 0.869) 4.094 15.314 ( -0.425 -0.400 0.208) 0.619 15.720 ( 1.475 -4.259 -3.275) 5.571 15.827 ( 7.524 -10.358 -11.629) 17.296 16.771 ( -1.175 -6.582 5.154) 8.443 16.919 ( -1.242 -3.847 -2.911) 4.981 18.397 ( -4.548 6.040 7.870) 10.914 18.483 ( -5.411 1.627 15.676) 16.663 19.076 ( 0.081 0.869 -2.137) 2.308 19.314 ( 0.538 3.721 1.347) 3.994 19.460 ( 2.884 -0.588 0.059) 2.944 19.564 ( -2.299 -2.183 -1.321) 3.434 19.721 ( -5.226 -6.072 -1.490) 8.149 19.885 ( 1.528 -4.618 -0.302) 4.874 20.159 ( 0.324 -5.492 -1.795) 5.787 20.373 ( -4.749 1.165 0.069) 4.890 20.591 ( 0.129 -1.630 0.629) 1.752 20.724 ( -0.053 -4.525 0.629) 4.569 20.992 ( 1.195 -0.988 -2.240) 2.724 21.054 ( -0.392 2.620 3.532) 4.416 21.124 ( -0.137 0.913 3.529) 3.647 21.239 ( 2.920 4.452 -4.745) 7.132 21.548 ( -2.054 1.446 -0.596) 2.581 21.611 ( -0.712 -0.067 -1.069) 1.286 21.888 ( 2.242 4.755 -1.044) 5.360 22.068 ( 3.000 -0.648 -2.077) 3.706 22.901 ( -3.503 3.879 5.117) 7.314 23.355 ( 4.556 4.114 3.038) 6.849 23.652 ( 1.164 0.637 -2.877) 3.168 23.765 ( 1.429 3.977 -7.291) 8.428 27.068 ( -0.785 7.670 3.892) 8.637 27.294 ( -1.366 12.173 4.534) 13.061 27.803 ( -0.720 -7.812 -3.055) 8.419 27.986 ( 1.987 -5.906 -2.735) 6.805 31.757 ( 1.679 -1.307 -0.222) 2.139 31.841 ( -1.115 -2.959 0.927) 3.295 31.900 ( -0.179 -1.412 -0.278) 1.450 31.985 ( -1.086 -2.087 -0.191) 2.361 35.807 ( 1.743 3.891 1.081) 4.398 36.231 ( -2.204 13.656 -7.048) 15.525 36.348 ( 9.343 9.439 8.266) 15.643 37.676 ( 5.987 -7.072 -16.097) 18.573 39.139 ( 4.920 0.569 1.441) 5.158 39.225 ( 0.753 0.185 1.208) 1.435 39.642 ( -6.914 -3.699 1.820) 8.050 40.046 ( -0.952 -3.419 -3.461) 4.957 41.448 ( 0.789 -6.150 0.779) 6.249 41.618 ( -2.350 2.573 3.237) 4.756 41.752 ( -2.532 4.624 1.400) 5.455 42.115 ( -1.368 0.548 -0.689) 1.627 42.746 ( 0.363 22.398 1.978) 22.488 43.420 ( -1.945 8.619 21.751) 23.477 44.444 ( -6.408 -13.352 -18.873) 23.990 44.748 ( 5.092 -18.340 6.633) 20.157 ======================= Grid point 89 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -5.415 6.246 30.235) 31.345 1.967 ( -6.400 13.493 0.670) 14.949 2.263 ( 8.459 15.772 2.786) 18.113 2.551 ( 6.732 8.210 10.265) 14.768 2.838 ( -6.692 -4.939 0.891) 8.364 3.071 ( 0.176 -3.479 0.941) 3.609 3.132 ( 4.336 2.381 -6.909) 8.497 3.286 ( 2.957 0.622 12.571) 12.929 3.566 ( -2.095 1.156 1.692) 2.931 3.749 ( -0.442 0.061 -3.870) 3.895 3.887 ( 5.895 8.822 -10.127) 14.668 4.128 ( -2.826 8.319 -1.281) 8.879 4.226 ( 2.018 7.356 -2.245) 7.951 4.438 ( -0.534 -0.036 -7.890) 7.908 4.886 ( 3.293 -5.489 2.893) 7.025 4.974 ( -0.625 8.417 -11.877) 14.570 5.224 ( 0.131 -7.624 0.969) 7.687 5.357 ( -11.113 12.299 7.953) 18.385 5.672 ( -3.501 1.346 -0.026) 3.751 5.890 ( 5.432 10.703 -11.731) 16.783 6.099 ( 8.249 21.001 -3.858) 22.891 6.166 ( -0.575 11.820 -2.095) 12.018 6.377 ( 2.876 0.927 6.534) 7.199 6.482 ( -6.794 9.083 0.459) 11.353 6.765 ( -1.583 0.220 6.249) 6.450 6.943 ( 4.295 -4.287 -10.909) 12.483 7.189 ( -0.347 2.591 -3.508) 4.375 7.362 ( 4.710 2.999 -4.427) 7.126 7.517 ( 1.773 2.702 3.929) 5.087 7.752 ( -12.231 0.996 0.880) 12.303 7.874 ( -1.714 -4.292 1.190) 4.773 8.106 ( 2.040 3.933 5.959) 7.425 8.638 ( -3.567 1.734 14.165) 14.710 8.699 ( 2.545 -3.803 5.144) 6.885 8.921 ( 4.229 4.429 -5.499) 8.230 8.959 ( 0.657 1.785 5.296) 5.627 9.360 ( -2.657 2.806 0.065) 3.865 9.491 ( -4.124 -4.484 -7.117) 9.368 9.801 ( 2.164 -1.361 -4.272) 4.979 10.118 ( -1.412 -3.471 -14.515) 14.991 10.554 ( 3.677 3.672 3.349) 6.182 10.613 ( -3.611 -2.904 4.134) 6.210 11.033 ( -2.069 -9.885 -5.834) 11.663 11.144 ( 4.180 -9.458 -8.044) 13.101 11.541 ( 3.104 -10.766 9.545) 14.719 11.801 ( 6.710 0.867 2.741) 7.300 11.951 ( -4.445 -8.156 1.417) 9.396 12.343 ( -12.955 3.268 -3.418) 13.791 12.484 ( 6.711 8.127 8.390) 13.472 13.388 ( -9.748 0.092 -6.590) 11.767 13.698 ( 3.724 4.310 -9.619) 11.180 13.894 ( 17.465 1.856 -6.918) 18.876 14.066 ( -6.551 8.127 6.299) 12.192 14.793 ( -2.651 -2.466 -2.360) 4.322 15.160 ( -1.025 -3.724 -0.147) 3.865 15.356 ( 2.617 -2.173 1.820) 3.857 15.728 ( 0.930 -0.426 -6.168) 6.252 15.907 ( 5.466 -3.518 -14.400) 15.799 16.863 ( -3.943 -5.934 6.732) 9.802 16.970 ( 2.160 -6.505 -4.096) 7.985 18.452 ( -4.189 -7.489 18.434) 20.334 18.587 ( -5.028 -6.802 18.009) 19.896 19.081 ( 4.117 1.227 0.903) 4.390 19.264 ( -2.560 3.217 1.591) 4.408 19.486 ( 0.188 -0.070 0.465) 0.506 19.585 ( 1.011 -3.113 -0.480) 3.308 19.705 ( -2.634 -0.879 -0.889) 2.916 19.960 ( 3.480 -2.556 -1.835) 4.692 20.211 ( -1.635 -6.014 -2.964) 6.901 20.313 ( -2.245 -2.719 -4.294) 5.556 20.611 ( -0.057 -1.135 0.937) 1.473 20.766 ( -1.810 -2.624 -0.047) 3.188 20.994 ( -3.653 0.791 0.376) 3.757 21.019 ( -0.402 2.724 0.387) 2.781 21.098 ( -2.481 4.273 1.698) 5.224 21.253 ( 11.244 3.750 1.678) 11.971 21.515 ( 0.429 1.371 -0.101) 1.440 21.609 ( 2.037 -0.044 -1.093) 2.312 21.851 ( 1.554 4.922 2.638) 5.796 22.096 ( 2.941 -0.305 -3.754) 4.779 22.838 ( -3.458 4.291 4.501) 7.115 23.339 ( -3.285 4.416 1.740) 5.772 23.531 ( -1.552 7.325 -9.967) 12.467 23.744 ( 5.496 -0.331 -5.063) 7.480 27.007 ( -1.126 5.955 6.248) 8.704 27.161 ( -2.171 11.472 7.327) 13.785 27.834 ( -1.833 -5.429 -6.822) 8.909 28.042 ( 0.847 -4.924 -5.042) 7.099 31.813 ( 2.545 -1.986 1.526) 3.571 31.871 ( -1.468 -3.074 0.809) 3.501 31.920 ( 0.046 -1.803 -0.338) 1.835 32.000 ( -0.430 -2.250 -0.877) 2.453 35.780 ( 0.546 4.194 1.324) 4.432 35.986 ( -3.035 12.275 -4.281) 13.350 36.358 ( 1.926 10.369 6.791) 12.544 37.560 ( 3.653 6.041 -30.213) 31.026 39.164 ( 0.636 3.025 0.327) 3.108 39.282 ( 2.151 -2.581 3.564) 4.898 39.664 ( -0.879 -5.232 2.611) 5.913 40.068 ( 2.420 -2.455 -3.018) 4.582 41.527 ( 0.965 -3.496 -0.149) 3.630 41.547 ( -3.343 6.353 3.194) 7.857 41.706 ( -3.389 -1.701 2.894) 4.770 41.989 ( -5.840 5.624 -6.854) 10.617 42.607 ( 7.986 16.183 8.715) 20.041 43.587 ( -6.239 -8.851 40.323) 41.752 44.402 ( -2.082 -10.946 -20.735) 23.539 45.112 ( 7.476 -18.483 6.833) 21.076 ======================= Grid point 90 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -12.944 22.687 10.688) 28.223 1.828 ( -4.219 6.512 34.659) 35.517 2.276 ( 1.965 2.542 12.091) 12.510 2.485 ( 7.405 18.250 7.241) 20.984 2.900 ( -7.557 0.613 -2.188) 7.891 2.975 ( 1.640 -7.612 -3.896) 8.707 3.260 ( 6.780 0.911 16.413) 17.782 3.363 ( 4.072 -3.871 -4.974) 7.504 3.578 ( -1.160 4.301 4.876) 6.604 3.704 ( 0.062 5.962 -7.360) 9.472 3.718 ( 6.185 5.673 -11.661) 14.367 4.005 ( -2.257 8.260 -0.474) 8.576 4.140 ( 1.875 3.491 -4.141) 5.731 4.393 ( 5.192 2.007 -9.054) 10.628 4.701 ( -5.352 11.368 -13.972) 18.791 4.907 ( 1.119 13.292 1.506) 13.423 5.172 ( -6.960 -4.562 2.991) 8.843 5.355 ( 4.306 -4.440 -1.075) 6.278 5.550 ( -5.718 -0.591 -9.620) 11.207 5.808 ( 1.670 1.803 1.352) 2.805 5.945 ( 10.973 17.460 -6.994) 21.776 6.114 ( 8.076 10.732 -2.536) 13.669 6.355 ( -5.476 0.342 6.380) 8.415 6.484 ( 4.862 -0.355 7.236) 8.725 6.812 ( 0.199 -2.709 5.855) 6.455 7.038 ( 11.318 -7.670 -14.118) 19.653 7.160 ( 1.154 1.768 2.612) 3.359 7.323 ( 5.930 6.533 -6.883) 11.190 7.533 ( -1.801 0.880 5.180) 5.554 7.580 ( -12.342 2.291 3.523) 13.038 7.893 ( 0.600 -1.821 -4.056) 4.486 8.115 ( -0.757 3.263 5.017) 6.032 8.583 ( -5.093 8.650 2.868) 10.440 8.812 ( 3.193 0.795 7.674) 8.350 8.873 ( 2.825 2.603 -1.032) 3.977 9.017 ( 1.518 2.234 11.835) 12.140 9.270 ( -4.740 1.753 -1.242) 5.204 9.415 ( -7.600 -3.613 -7.289) 11.133 9.828 ( 1.070 -4.540 -6.092) 7.672 9.992 ( -1.872 5.036 -5.582) 7.748 10.650 ( -0.571 -2.725 6.800) 7.348 10.667 ( 6.781 -4.376 1.643) 8.236 11.065 ( 0.542 -8.287 -6.925) 10.813 11.297 ( 8.102 -12.418 -9.182) 17.440 11.656 ( -9.472 -1.156 2.376) 9.833 11.786 ( -0.103 13.958 11.713) 18.221 12.008 ( -1.077 -4.244 -2.983) 5.298 12.165 ( -11.566 -6.500 -4.833) 14.121 12.534 ( 2.344 0.372 4.297) 4.909 13.215 ( -10.912 -5.577 -8.764) 15.066 13.586 ( 11.358 13.133 -13.346) 21.900 13.810 ( -4.779 11.342 -0.221) 12.309 14.233 ( 16.139 -4.154 5.575) 17.573 14.750 ( -4.446 -3.634 -4.924) 7.564 15.213 ( 1.131 -3.428 -0.790) 3.695 15.441 ( 3.168 -3.413 0.782) 4.722 15.684 ( 1.760 1.319 -7.159) 7.489 15.876 ( 5.891 1.391 -14.290) 15.519 16.922 ( -7.257 -6.894 6.033) 11.688 17.056 ( 3.667 -5.317 -1.897) 6.732 18.660 ( -10.864 -11.824 19.354) 25.147 18.727 ( -7.588 -10.949 17.133) 21.703 19.125 ( 1.916 2.582 -0.125) 3.218 19.247 ( -2.108 -2.859 8.547) 9.256 19.493 ( -0.376 -0.760 1.075) 1.369 19.631 ( 0.031 -2.111 0.949) 2.314 19.666 ( -1.531 1.932 0.105) 2.467 19.972 ( 2.322 4.626 -1.965) 5.536 20.254 ( 2.991 -6.577 -5.218) 8.912 20.338 ( 0.993 -6.424 -4.408) 7.854 20.639 ( 0.531 -1.177 1.651) 2.096 20.695 ( -9.094 4.523 -0.783) 10.187 20.893 ( -2.686 5.098 -0.072) 5.763 20.987 ( -1.040 1.687 0.401) 2.022 21.049 ( 0.366 2.718 2.871) 3.970 21.387 ( 6.511 -0.937 2.354) 6.987 21.539 ( 6.965 1.532 0.389) 7.142 21.651 ( 5.064 -0.563 -1.912) 5.442 21.838 ( 2.781 6.104 1.833) 6.953 22.071 ( 0.885 3.635 -3.772) 5.312 22.791 ( -0.253 2.935 2.807) 4.069 23.146 ( -7.975 10.762 -2.892) 13.704 23.419 ( 2.105 1.800 -6.775) 7.319 23.806 ( 5.972 -4.530 -7.645) 10.706 26.983 ( -1.050 4.385 8.737) 9.832 27.088 ( -1.557 6.404 11.330) 13.108 27.802 ( -2.405 -3.247 -8.928) 9.799 28.059 ( 0.577 -3.431 -6.990) 7.808 31.872 ( 0.138 -1.392 2.578) 2.933 31.895 ( -0.088 -2.739 -0.346) 2.762 31.932 ( -0.831 -1.231 -0.197) 1.498 32.008 ( -0.634 -1.041 -1.055) 1.612 35.718 ( -2.780 4.679 0.186) 5.445 35.844 ( 4.327 7.164 -0.969) 8.425 36.224 ( -6.784 9.760 2.559) 12.158 37.300 ( 13.920 14.807 -29.303) 35.661 39.120 ( -2.637 1.208 0.444) 2.934 39.340 ( 2.535 0.522 -0.540) 2.644 39.741 ( -0.740 -4.362 1.793) 4.773 40.124 ( 5.844 -0.756 -2.385) 6.357 41.441 ( -2.878 7.084 3.093) 8.248 41.563 ( -0.216 -1.992 1.025) 2.251 41.745 ( -1.231 -4.188 3.319) 5.483 41.805 ( -3.305 5.885 -5.141) 8.485 42.634 ( 9.628 9.508 12.391) 18.348 43.962 ( -15.414 -24.495 26.689) 39.369 44.390 ( -3.298 -11.383 -5.155) 12.924 45.448 ( 1.571 -15.132 7.391) 16.914 ======================= Grid point 94 (43/114) ======================= q-point: ( 0.38 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -21.139 0.000 10.904) 23.786 2.196 ( -9.910 0.000 -4.665) 10.953 2.352 ( 2.728 -0.000 -14.437) 14.693 2.714 ( 0.315 -0.000 4.247) 4.258 3.021 ( 1.363 -0.000 -7.202) 7.330 3.133 ( -0.603 0.000 -6.207) 6.236 3.218 ( 9.584 -0.000 -4.769) 10.705 3.241 ( -5.256 0.000 -5.691) 7.747 3.516 ( 9.131 -0.000 5.393) 10.605 3.866 ( 2.808 -0.000 -5.600) 6.265 3.982 ( 0.514 -0.000 3.660) 3.696 4.023 ( -6.863 0.000 10.712) 12.722 4.368 ( 9.075 -0.000 -3.220) 9.629 4.428 ( -3.489 0.000 14.136) 14.560 4.496 ( 6.147 -0.000 2.352) 6.582 4.938 ( 5.488 -0.000 10.475) 11.826 5.117 ( 4.802 -0.000 -11.789) 12.729 5.318 ( 15.412 -0.000 -5.471) 16.354 6.019 ( 13.876 -0.000 0.552) 13.887 6.151 ( 4.949 -0.000 13.555) 14.431 6.264 ( -7.705 0.000 -12.829) 14.965 6.631 ( 10.251 -0.000 5.961) 11.858 6.731 ( 14.019 -0.000 -14.105) 19.887 6.764 ( 10.649 -0.000 -8.086) 13.371 7.067 ( -6.609 0.000 2.654) 7.122 7.155 ( 10.288 -0.000 4.005) 11.040 7.345 ( 10.791 -0.000 -8.467) 13.716 7.474 ( -1.039 0.000 23.291) 23.314 7.575 ( -6.318 0.000 6.731) 9.232 7.661 ( 2.919 -0.000 -0.377) 2.943 7.701 ( -2.823 0.000 -0.713) 2.912 7.982 ( 6.523 -0.000 -8.144) 10.435 8.500 ( 3.926 -0.000 3.097) 5.001 8.583 ( 0.932 -0.000 -3.820) 3.932 8.824 ( -2.073 0.000 2.439) 3.201 9.160 ( -12.883 0.000 -1.837) 13.014 9.379 ( 0.299 -0.000 -3.505) 3.518 9.597 ( -0.836 0.000 3.085) 3.196 9.879 ( 3.730 -0.000 8.601) 9.375 10.255 ( -10.866 0.000 -21.449) 24.044 10.404 ( -9.921 0.000 5.169) 11.187 10.512 ( 3.474 -0.000 -3.189) 4.716 10.586 ( 0.013 -0.000 6.082) 6.082 10.908 ( -5.157 0.000 1.203) 5.295 11.169 ( -12.119 0.000 0.935) 12.155 11.644 ( -12.072 0.000 -3.575) 12.591 12.142 ( -2.850 0.000 1.733) 3.335 12.201 ( 6.539 -0.000 2.425) 6.974 13.159 ( 10.001 -0.000 -6.329) 11.836 13.274 ( 3.930 -0.000 10.298) 11.023 13.552 ( 17.696 -0.000 -2.418) 17.861 13.915 ( 3.930 -0.000 8.185) 9.080 14.233 ( 3.676 -0.000 -5.091) 6.280 14.656 ( -1.296 0.000 -3.940) 4.148 15.127 ( -0.889 0.000 1.858) 2.060 15.355 ( -2.641 0.000 -0.370) 2.666 15.509 ( 1.474 -0.000 -5.298) 5.499 15.645 ( -2.819 0.000 -8.682) 9.128 16.658 ( -3.638 0.000 0.266) 3.648 16.916 ( -5.388 0.000 0.281) 5.396 18.691 ( -9.218 0.000 14.360) 17.064 18.837 ( -8.538 0.000 4.893) 9.841 19.042 ( -5.014 0.000 -7.748) 9.229 19.352 ( 0.720 -0.000 -1.579) 1.735 19.479 ( -1.045 0.000 -0.451) 1.138 19.502 ( -4.243 0.000 -4.578) 6.242 19.587 ( -1.805 0.000 -2.830) 3.357 19.711 ( -4.314 0.000 4.602) 6.307 20.206 ( 3.993 -0.000 -4.451) 5.980 20.335 ( 2.737 -0.000 9.816) 10.191 20.569 ( -3.602 0.000 0.678) 3.665 20.607 ( -4.061 0.000 0.113) 4.063 20.999 ( -0.977 0.000 -5.317) 5.406 21.077 ( -1.304 0.000 5.380) 5.535 21.093 ( 2.145 -0.000 1.854) 2.835 21.330 ( 0.976 -0.000 -5.058) 5.151 21.550 ( -1.864 0.000 2.909) 3.455 21.650 ( -2.574 0.000 -2.028) 3.277 21.934 ( 5.638 -0.000 -2.602) 6.209 22.043 ( 5.212 -0.000 -1.717) 5.487 22.981 ( -0.756 0.000 6.051) 6.098 23.385 ( 6.479 -0.000 4.594) 7.942 23.558 ( 8.738 -0.000 -4.943) 10.040 23.868 ( 2.792 -0.000 -4.511) 5.306 27.330 ( -0.529 0.000 6.690) 6.711 27.504 ( 2.447 -0.000 -5.150) 5.702 27.614 ( 1.722 -0.000 8.768) 8.936 27.753 ( 2.524 -0.000 -7.098) 7.534 31.745 ( -1.220 0.000 -0.840) 1.481 31.818 ( -3.556 0.000 0.180) 3.560 31.886 ( -1.708 0.000 -0.178) 1.717 31.950 ( -1.446 0.000 0.269) 1.471 35.852 ( 3.463 -0.000 0.635) 3.520 36.316 ( 11.287 -0.000 6.038) 12.800 36.801 ( 5.725 -0.000 -13.783) 14.925 37.166 ( 14.818 -0.000 3.106) 15.140 39.129 ( 1.010 -0.000 -1.731) 2.005 39.180 ( 4.051 -0.000 -0.470) 4.078 39.703 ( -10.196 0.000 3.350) 10.733 39.985 ( -2.517 0.000 -3.918) 4.657 41.289 ( 0.164 -0.000 0.496) 0.523 41.631 ( -1.643 0.000 4.138) 4.452 41.947 ( -0.467 0.000 2.334) 2.380 42.041 ( 6.060 -0.000 0.912) 6.128 43.493 ( 6.294 -0.000 -10.943) 12.624 43.625 ( 1.938 -0.000 8.086) 8.315 44.183 ( -19.745 0.000 15.683) 25.215 44.305 ( -12.877 0.000 -16.553) 20.971 ======================= Grid point 95 (44/114) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -14.297 2.138 14.291) 20.327 2.133 ( -1.966 -3.912 2.669) 5.128 2.335 ( 6.718 1.501 -6.332) 9.353 2.746 ( -2.146 -4.214 0.250) 4.735 2.888 ( 0.440 12.748 -7.517) 14.806 3.040 ( 0.047 -1.022 -9.538) 9.593 3.133 ( -1.308 2.413 -8.064) 8.518 3.300 ( 4.171 -3.808 -5.460) 7.856 3.598 ( 5.435 5.523 4.384) 8.903 3.858 ( 3.852 3.432 -2.508) 5.736 3.961 ( -3.872 -2.916 0.976) 4.945 4.175 ( -0.177 -4.994 18.506) 19.169 4.384 ( 1.427 4.336 -0.176) 4.568 4.519 ( 2.600 -1.894 -1.979) 3.777 4.559 ( -1.947 -3.867 7.780) 8.904 5.040 ( 0.281 -1.460 2.542) 2.945 5.111 ( 2.449 -0.528 -2.695) 3.679 5.466 ( 12.288 4.045 2.361) 13.151 6.066 ( -4.753 1.852 -7.557) 9.118 6.114 ( 8.315 9.350 2.337) 12.729 6.310 ( 9.180 -0.255 2.624) 9.551 6.678 ( 6.489 8.445 -3.366) 11.169 6.733 ( 7.688 6.080 -11.913) 15.427 6.854 ( -1.654 -1.990 1.018) 2.781 6.993 ( -2.722 2.283 -0.909) 3.667 7.245 ( 0.593 8.722 -1.097) 8.810 7.326 ( 2.148 2.465 -1.842) 3.753 7.450 ( -11.109 9.532 1.413) 14.706 7.620 ( 2.724 -1.383 3.567) 4.696 7.693 ( 4.680 -0.974 7.549) 8.935 7.743 ( -2.757 -4.204 4.397) 6.679 8.043 ( 8.913 -2.520 -1.703) 9.418 8.537 ( -0.008 1.217 -0.068) 1.219 8.568 ( 0.934 2.704 3.577) 4.580 8.891 ( 1.731 -6.554 1.082) 6.864 9.014 ( -7.321 -0.497 -0.274) 7.343 9.373 ( 0.704 -1.440 -2.739) 3.174 9.499 ( -2.123 6.235 -6.134) 9.001 9.984 ( -0.619 4.340 2.931) 5.273 10.050 ( -3.192 -7.160 -16.738) 18.483 10.297 ( -2.380 -4.809 1.495) 5.570 10.568 ( 2.498 -0.106 3.472) 4.278 10.678 ( -1.620 -7.021 3.881) 8.184 10.876 ( -5.239 -5.614 0.620) 7.704 11.110 ( -4.290 -4.404 4.178) 7.434 11.555 ( -3.704 -5.110 -1.663) 6.527 12.020 ( -2.585 9.417 0.771) 9.796 12.345 ( -0.411 -8.623 0.901) 8.679 13.077 ( 1.541 18.824 1.952) 18.987 13.391 ( 16.132 -0.528 1.215) 16.187 13.731 ( -1.502 -1.057 -2.558) 3.149 14.028 ( 3.033 -1.999 2.135) 4.214 14.224 ( 3.716 4.460 0.843) 5.866 14.657 ( -1.034 -4.985 -1.057) 5.200 15.126 ( -1.812 -0.319 0.959) 2.075 15.322 ( -1.344 0.587 0.558) 1.569 15.559 ( 6.213 -6.740 -4.642) 10.275 15.593 ( -1.386 -5.020 -5.980) 7.930 16.647 ( -1.319 -2.518 1.514) 3.220 16.869 ( -2.981 -0.769 -0.022) 3.079 18.611 ( -10.072 6.656 8.916) 15.008 18.671 ( -5.278 11.826 4.487) 13.706 19.014 ( -0.894 -6.692 -4.458) 8.091 19.367 ( 1.893 -0.502 -0.626) 2.056 19.443 ( 0.561 0.223 -1.406) 1.530 19.486 ( -3.551 -4.321 -3.723) 6.719 19.569 ( 0.374 -1.808 -1.184) 2.193 19.722 ( -3.753 -5.526 2.104) 7.004 20.197 ( 4.906 5.131 -1.284) 7.214 20.412 ( -4.502 0.318 3.472) 5.694 20.530 ( 0.900 -2.250 0.018) 2.423 20.596 ( -3.271 -4.207 0.304) 5.337 20.961 ( -0.332 -0.862 -4.091) 4.194 21.098 ( -0.260 1.000 4.666) 4.779 21.124 ( -0.119 -0.338 2.513) 2.539 21.306 ( 2.177 1.034 -4.653) 5.240 21.551 ( -1.889 -0.687 2.106) 2.911 21.612 ( -0.795 0.235 -1.787) 1.970 21.969 ( 3.989 1.880 -1.358) 4.614 22.077 ( 2.875 0.451 -2.140) 3.612 22.991 ( -2.171 2.383 5.737) 6.581 23.454 ( 2.837 2.841 4.247) 5.845 23.641 ( 5.978 -0.910 -1.994) 6.367 23.846 ( 1.452 1.943 -5.869) 6.350 27.280 ( -1.094 8.439 2.880) 8.984 27.559 ( 2.437 2.595 1.279) 3.783 27.602 ( -1.662 -1.588 -0.539) 2.361 27.821 ( 2.458 -7.097 -2.012) 7.775 31.737 ( 0.487 -0.387 -0.204) 0.655 31.790 ( -2.180 -1.024 0.830) 2.548 31.870 ( -0.846 -0.798 -0.731) 1.373 31.942 ( -1.186 -1.071 0.002) 1.598 35.886 ( 2.056 1.906 1.996) 3.441 36.397 ( 0.873 2.550 -4.041) 4.857 36.734 ( 10.616 15.479 2.060) 18.882 37.407 ( 6.740 -11.929 -2.937) 14.013 39.143 ( 2.553 0.082 1.102) 2.782 39.240 ( 5.317 0.309 -0.963) 5.412 39.590 ( -10.453 -0.445 2.704) 10.806 39.954 ( -0.890 -2.923 -4.104) 5.116 41.316 ( 0.239 -3.177 0.738) 3.271 41.631 ( -2.373 -0.203 2.605) 3.530 41.917 ( -0.944 5.231 1.857) 5.631 42.110 ( 1.768 -0.666 0.764) 2.038 43.321 ( 0.624 22.116 -1.922) 22.208 43.667 ( 2.915 6.422 4.786) 8.523 44.089 ( -14.339 -11.186 -5.533) 19.009 44.279 ( 0.875 -17.327 0.292) 17.352 ======================= Grid point 96 (45/114) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -6.532 1.234 18.374) 19.539 2.200 ( 2.133 5.358 0.779) 5.820 2.367 ( 3.981 -5.702 -2.173) 7.286 2.682 ( 1.543 10.680 -7.564) 13.178 2.807 ( 0.528 -2.830 6.912) 7.488 3.018 ( -0.308 -1.759 -4.902) 5.217 3.048 ( -0.481 -1.519 -5.267) 5.502 3.362 ( 0.875 -3.576 -0.327) 3.696 3.621 ( 4.815 4.418 2.954) 7.172 3.843 ( 4.130 6.405 -0.273) 7.626 3.957 ( -1.695 -2.099 -0.842) 2.826 4.267 ( -2.871 2.902 -6.328) 7.531 4.355 ( -1.386 2.170 14.523) 14.749 4.473 ( 2.176 2.664 -8.884) 9.527 4.688 ( 0.582 -6.987 5.554) 8.945 5.022 ( -6.969 -3.386 -6.572) 10.161 5.137 ( 1.457 0.472 6.354) 6.536 5.545 ( 3.230 5.703 9.360) 11.427 5.918 ( -5.044 9.405 -0.246) 10.675 6.118 ( 8.375 7.843 -3.340) 11.950 6.403 ( 7.532 3.735 -5.902) 10.271 6.560 ( -2.059 12.984 -0.371) 13.151 6.585 ( -0.474 9.655 -10.871) 14.547 6.787 ( -6.424 5.428 1.984) 8.640 6.904 ( 5.716 12.873 -5.317) 15.055 6.928 ( -10.548 12.808 1.693) 16.678 7.224 ( -7.213 1.394 -5.056) 8.918 7.400 ( 4.774 -0.691 1.580) 5.076 7.651 ( 2.317 5.123 3.982) 6.890 7.715 ( -4.612 -0.129 -1.588) 4.880 7.809 ( -0.477 -0.835 6.791) 6.859 8.198 ( 5.250 -0.485 5.911) 7.920 8.558 ( 1.543 -4.808 -0.580) 5.083 8.597 ( -1.188 -0.904 10.834) 10.937 8.940 ( 2.594 -0.323 -0.074) 2.615 9.009 ( -0.828 -2.513 -0.159) 2.651 9.372 ( -1.339 -0.847 -6.006) 6.211 9.403 ( -1.893 -2.368 -5.168) 5.991 9.859 ( -3.490 5.585 -4.738) 8.113 9.998 ( 2.972 -5.228 -15.224) 16.368 10.472 ( 2.652 -9.116 2.587) 9.840 10.603 ( -2.228 -0.205 5.486) 5.925 10.759 ( -2.189 -8.516 -0.434) 8.804 10.935 ( 1.317 -7.743 -2.886) 8.367 11.240 ( 2.581 -10.380 8.125) 13.432 11.638 ( 0.950 -11.387 -1.026) 11.472 11.900 ( -0.165 7.648 4.002) 8.633 12.399 ( -3.366 -4.095 -2.237) 5.754 12.876 ( 0.907 19.868 7.160) 21.138 13.501 ( -18.369 7.928 -4.481) 20.502 13.648 ( 18.154 -3.726 -1.540) 18.596 14.031 ( 2.879 3.504 -6.653) 8.051 14.222 ( -0.631 5.567 7.013) 8.976 14.712 ( 0.316 -4.190 -0.599) 4.244 15.102 ( -2.339 -0.967 -0.366) 2.557 15.330 ( 1.686 -0.092 1.913) 2.551 15.631 ( 0.761 -6.609 -5.335) 8.528 15.729 ( 8.545 -8.908 -6.121) 13.778 16.705 ( -0.549 -5.518 2.638) 6.140 16.864 ( 0.362 -2.012 -0.946) 2.253 18.451 ( -8.465 5.602 8.397) 13.174 18.576 ( -3.188 5.290 10.357) 12.059 19.076 ( 4.169 -3.161 -1.521) 5.448 19.345 ( -2.671 2.387 -0.861) 3.684 19.460 ( -1.281 -2.238 -2.949) 3.917 19.495 ( 3.250 -3.920 -1.542) 5.320 19.611 ( 0.924 -3.440 -0.713) 3.632 19.786 ( -1.206 -9.267 -0.337) 9.351 20.190 ( 3.223 4.170 0.093) 5.271 20.318 ( -5.387 1.865 -1.621) 5.926 20.574 ( -0.170 -1.717 0.451) 1.784 20.646 ( -0.843 -6.449 0.271) 6.509 20.953 ( -0.097 -1.762 -2.221) 2.836 21.094 ( -1.274 2.108 1.832) 3.069 21.147 ( -0.677 0.086 3.862) 3.922 21.302 ( 4.259 0.859 -3.241) 5.421 21.546 ( -0.795 0.457 1.174) 1.490 21.602 ( 1.198 -0.064 -1.279) 1.754 21.967 ( 2.390 3.215 -1.150) 4.168 22.088 ( 1.899 0.102 -0.964) 2.133 22.957 ( -2.871 4.297 5.739) 7.723 23.446 ( -2.446 3.786 3.594) 5.765 23.667 ( 0.924 2.996 -2.894) 4.267 23.786 ( 3.297 2.967 -6.519) 7.884 27.181 ( -1.832 7.595 3.599) 8.602 27.447 ( -3.229 10.655 3.608) 11.703 27.672 ( 0.218 -7.190 -4.125) 8.292 27.908 ( 1.515 -5.659 -2.914) 6.543 31.769 ( 2.346 -1.467 0.764) 2.870 31.799 ( -1.013 -2.178 1.396) 2.779 31.875 ( -0.070 -1.630 -0.839) 1.835 31.946 ( -0.480 -1.747 -0.635) 1.920 35.884 ( 0.517 3.597 2.663) 4.506 36.243 ( -5.325 7.011 -8.764) 12.422 36.704 ( 6.413 17.065 10.637) 21.107 37.527 ( 1.265 -7.301 -11.768) 13.907 39.214 ( 3.575 -2.067 3.956) 5.719 39.253 ( 0.274 3.380 -0.783) 3.480 39.541 ( -3.028 -4.029 2.421) 5.592 39.977 ( 2.294 -4.278 -4.088) 6.346 41.379 ( -0.225 -5.498 1.161) 5.624 41.621 ( -2.422 -0.556 2.482) 3.512 41.827 ( -1.650 8.369 1.568) 8.673 42.081 ( -3.457 2.071 -3.906) 5.612 43.082 ( 3.735 20.971 5.594) 22.023 43.607 ( -4.708 7.449 12.251) 15.090 44.079 ( -3.691 -14.534 -13.580) 20.231 44.602 ( 7.545 -21.500 2.920) 22.972 ======================= Grid point 97 (46/114) ======================= q-point: (-0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -5.923 0.092 17.593) 18.564 2.012 ( -8.789 11.075 1.676) 14.237 2.527 ( 1.204 8.091 -7.547) 11.130 2.593 ( 7.548 -12.154 5.671) 15.390 2.798 ( -9.340 9.466 5.713) 14.473 3.023 ( 1.094 0.381 1.180) 1.653 3.141 ( 6.625 -9.254 1.555) 11.487 3.378 ( -3.152 1.768 8.164) 8.928 3.653 ( 2.785 1.800 1.704) 3.729 3.759 ( 0.765 7.707 -6.351) 10.016 3.971 ( 4.575 3.343 -5.007) 7.561 4.112 ( -2.032 0.603 -9.688) 9.917 4.326 ( -7.565 9.090 6.105) 13.308 4.428 ( 3.174 1.788 -4.441) 5.743 4.816 ( 1.153 -10.631 -3.684) 11.310 4.887 ( -4.038 1.279 -9.908) 10.775 5.221 ( 1.563 1.998 10.438) 10.741 5.520 ( -6.347 10.590 13.779) 18.501 5.669 ( -7.013 12.305 -3.093) 14.497 5.980 ( -0.099 11.934 -10.616) 15.973 6.300 ( 0.454 10.713 -2.092) 10.925 6.360 ( 0.691 10.341 -0.185) 10.365 6.476 ( -2.025 4.125 0.341) 4.608 6.641 ( 3.706 9.534 -2.246) 10.473 6.789 ( 1.315 2.570 3.594) 4.610 6.886 ( 11.105 1.382 -11.073) 15.743 7.162 ( -2.392 -1.758 1.456) 3.307 7.454 ( 4.917 2.049 -0.700) 5.372 7.592 ( -6.764 2.677 -3.094) 7.906 7.664 ( 1.263 5.222 6.678) 8.570 7.827 ( -3.527 -1.759 3.395) 5.202 8.241 ( 1.586 5.196 5.194) 7.516 8.628 ( -3.691 -3.706 5.544) 7.622 8.728 ( 1.673 -6.335 8.502) 10.734 8.988 ( 1.522 4.195 -1.998) 4.889 9.023 ( 3.075 -1.581 4.872) 5.974 9.269 ( -9.976 -4.939 -10.447) 15.266 9.362 ( -0.407 2.786 -3.531) 4.516 9.756 ( -0.514 -1.343 -8.463) 8.584 10.020 ( 4.956 -2.471 -9.585) 11.070 10.569 ( 0.301 -3.695 2.962) 4.745 10.601 ( -2.745 -0.556 4.040) 4.916 10.843 ( -1.169 -9.219 -2.753) 9.692 11.033 ( 5.212 -8.596 -8.845) 13.390 11.463 ( -0.224 -9.841 7.770) 12.540 11.794 ( -0.728 -9.710 3.639) 10.395 11.922 ( 3.497 -0.544 5.337) 6.404 12.296 ( -6.676 9.288 -2.255) 11.659 12.739 ( 1.054 13.020 8.836) 15.771 13.136 ( -17.384 2.103 -7.965) 19.237 13.820 ( 10.436 4.517 -8.321) 14.091 13.973 ( 1.814 0.598 -6.874) 7.134 14.221 ( 5.273 4.433 10.293) 12.386 14.719 ( -1.792 0.576 -2.128) 2.841 15.125 ( 1.780 -3.242 0.643) 3.754 15.384 ( 2.643 -1.357 2.096) 3.636 15.665 ( 1.743 -3.031 -7.020) 7.843 15.855 ( 7.514 -3.425 -9.077) 12.272 16.778 ( -2.220 -5.388 2.075) 6.186 16.924 ( 4.059 -4.242 -1.341) 6.023 18.422 ( -8.467 -4.261 15.174) 17.891 18.579 ( -6.429 -1.431 11.729) 13.451 19.168 ( 6.342 -0.034 1.768) 6.584 19.259 ( -4.084 2.832 -0.759) 5.027 19.455 ( -1.548 -2.192 -1.413) 3.033 19.571 ( 2.953 -3.406 -2.605) 5.206 19.653 ( 0.371 -2.520 -0.460) 2.588 19.917 ( 3.750 -8.894 -0.782) 9.684 20.152 ( -3.137 -0.431 -1.545) 3.523 20.267 ( 3.401 1.715 -2.784) 4.718 20.595 ( -0.949 -2.134 1.265) 2.656 20.689 ( -2.951 -3.109 -0.566) 4.323 20.956 ( -0.751 -0.877 -0.978) 1.513 21.047 ( -2.049 3.134 0.662) 3.802 21.136 ( -1.463 3.095 2.535) 4.260 21.351 ( 3.739 -1.353 -0.478) 4.005 21.554 ( 2.255 -0.128 0.367) 2.288 21.630 ( 4.236 -0.666 -1.017) 4.407 21.950 ( 2.539 2.631 -0.633) 3.711 22.111 ( 2.165 -0.025 -0.447) 2.210 22.902 ( -2.436 5.170 5.273) 7.777 23.342 ( -8.018 5.505 1.819) 9.894 23.547 ( -0.856 6.819 -7.405) 10.103 23.786 ( 5.468 1.860 -3.624) 6.819 27.105 ( -2.402 5.346 5.440) 7.997 27.300 ( -4.798 9.083 5.133) 11.483 27.704 ( -0.632 -4.420 -6.125) 7.580 27.964 ( 2.205 -3.746 -4.012) 5.915 31.820 ( -0.350 -2.939 0.165) 2.965 31.837 ( 1.177 -1.266 2.487) 3.029 31.893 ( 0.566 -1.758 -0.479) 1.908 31.965 ( 0.512 -2.126 -1.187) 2.488 35.845 ( -1.788 5.004 2.273) 5.779 36.033 ( -3.339 7.115 -5.215) 9.433 36.562 ( -5.885 16.829 6.385) 18.937 37.492 ( 5.336 1.476 -15.055) 16.041 39.167 ( -5.418 2.343 -0.143) 5.905 39.326 ( 5.087 -1.390 3.168) 6.152 39.615 ( 0.620 -5.173 1.571) 5.442 40.061 ( 6.629 -4.322 -3.552) 8.674 41.450 ( -1.483 -5.258 1.820) 5.758 41.634 ( -0.733 -1.275 3.981) 4.244 41.698 ( -3.067 8.553 1.283) 9.177 41.945 ( -4.060 4.710 -5.757) 8.474 42.957 ( 5.120 15.899 6.865) 18.058 43.604 ( -10.406 -4.984 16.119) 19.823 44.135 ( 2.057 -10.787 -11.084) 15.603 44.994 ( 7.864 -20.338 3.071) 22.021 ======================= Grid point 98 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -11.803 7.836 3.992) 14.719 1.972 ( -13.957 -1.093 27.505) 30.862 2.433 ( -1.781 2.140 1.771) 3.299 2.497 ( -13.005 9.847 -2.238) 16.465 2.865 ( 6.323 -10.663 0.096) 12.397 2.967 ( 0.719 8.950 -0.570) 8.997 3.341 ( 8.236 -5.761 -4.745) 11.114 3.467 ( 2.307 -0.267 17.490) 17.644 3.556 ( -4.919 4.282 -5.889) 8.787 3.724 ( 3.475 -0.544 -3.042) 4.651 3.855 ( 3.080 8.560 -7.509) 11.796 4.068 ( -3.743 9.396 -2.142) 10.338 4.138 ( 2.109 0.506 -4.731) 5.204 4.426 ( -0.090 0.190 -0.449) 0.496 4.739 ( 1.385 8.703 -7.155) 11.351 4.953 ( 2.429 -11.879 -6.538) 13.775 5.138 ( -4.280 14.828 1.115) 15.474 5.435 ( 0.867 10.067 0.788) 10.135 5.481 ( -1.550 0.582 3.140) 3.550 5.844 ( -1.574 3.854 -1.484) 4.420 6.119 ( -4.057 10.287 0.306) 11.062 6.312 ( 0.840 1.817 5.289) 5.655 6.425 ( 4.883 7.749 0.394) 9.168 6.646 ( 8.579 2.876 -1.051) 9.109 6.849 ( 5.901 0.026 0.819) 5.957 6.974 ( 13.076 -3.958 -12.802) 18.722 7.211 ( 1.743 -1.582 7.015) 7.399 7.434 ( -11.602 0.705 1.480) 11.717 7.475 ( 9.618 6.646 -5.062) 12.739 7.644 ( -0.201 6.680 5.905) 8.918 7.844 ( -1.634 -3.932 0.488) 4.286 8.195 ( -2.275 6.369 3.720) 7.718 8.605 ( -7.468 3.713 3.398) 9.006 8.880 ( 0.704 -6.790 1.313) 6.951 8.908 ( 0.503 5.451 2.927) 6.208 9.083 ( -6.653 -2.620 -2.967) 7.742 9.161 ( -0.017 -1.164 1.275) 1.727 9.312 ( -0.740 -0.017 0.216) 0.771 9.732 ( 0.307 -3.242 -7.895) 8.540 10.018 ( 2.988 1.671 -4.428) 5.597 10.625 ( -3.409 -4.893 6.321) 8.690 10.668 ( 1.556 -4.152 -1.516) 4.687 10.940 ( 5.721 -9.848 -2.774) 11.722 11.172 ( 8.122 -11.516 -9.762) 17.143 11.555 ( -6.983 -1.287 5.636) 9.065 11.861 ( -4.620 -5.191 -4.416) 8.234 11.953 ( -8.487 1.677 12.797) 15.446 12.025 ( -9.597 12.254 0.156) 15.566 12.677 ( 4.699 8.133 3.802) 10.133 12.978 ( -4.696 -4.954 -8.154) 10.634 13.781 ( 9.279 4.435 -9.932) 14.298 13.895 ( -1.279 10.022 1.058) 10.159 14.388 ( 8.593 -3.181 4.457) 10.189 14.647 ( -2.124 1.971 -3.934) 4.886 15.198 ( 2.137 -2.133 0.148) 3.023 15.448 ( 1.989 -1.883 1.077) 2.943 15.661 ( 3.293 -0.278 -7.207) 7.928 15.881 ( 7.038 1.241 -11.215) 13.298 16.814 ( -3.149 -4.142 1.103) 5.319 17.035 ( 4.493 -4.799 -0.060) 6.575 18.519 ( -11.874 -9.254 17.313) 22.942 18.614 ( -9.334 -7.996 12.247) 17.351 19.171 ( -1.765 3.347 -1.005) 3.916 19.245 ( 1.662 -1.101 2.323) 3.061 19.449 ( -3.296 -2.686 -0.616) 4.297 19.611 ( 0.140 -1.806 0.118) 1.815 19.670 ( -0.240 0.201 0.772) 0.833 20.039 ( 5.580 -0.777 -1.068) 5.734 20.188 ( 3.567 -7.834 -2.740) 9.034 20.292 ( 4.575 -0.498 -1.813) 4.946 20.602 ( -8.672 0.577 -0.198) 8.694 20.638 ( -0.685 -0.202 1.512) 1.672 20.929 ( -0.670 3.494 -0.653) 3.617 20.999 ( -0.858 1.274 1.156) 1.922 21.096 ( -0.945 2.551 2.225) 3.515 21.385 ( -0.715 -1.544 -0.127) 1.707 21.605 ( 3.590 -2.402 -2.366) 4.925 21.709 ( 6.230 -0.318 0.395) 6.250 21.953 ( 3.890 2.425 -4.054) 6.120 22.122 ( 2.587 2.906 0.012) 3.891 22.857 ( -0.372 3.719 3.684) 5.248 23.149 ( -8.606 7.722 -0.029) 11.563 23.437 ( 2.012 3.784 -5.166) 6.712 23.803 ( 4.747 0.976 -4.668) 6.729 27.072 ( -2.175 2.518 7.138) 7.875 27.194 ( -4.440 4.754 6.843) 9.441 27.691 ( -0.135 -1.933 -6.073) 6.375 27.997 ( 2.603 -1.510 -4.830) 5.691 31.843 ( -1.203 -2.332 -0.117) 2.626 31.864 ( -1.415 -1.500 0.789) 2.207 31.931 ( 2.108 -0.895 0.616) 2.371 31.986 ( 0.250 -1.201 -0.749) 1.437 35.742 ( -3.666 5.208 0.282) 6.375 35.958 ( 3.903 2.741 -0.399) 4.786 36.276 ( -10.289 13.447 0.993) 16.961 37.437 ( 11.159 8.010 -13.096) 18.979 39.082 ( -4.518 0.667 -0.053) 4.567 39.399 ( 3.908 1.453 0.005) 4.170 39.676 ( -1.485 -4.374 0.943) 4.715 40.176 ( 7.647 -2.254 -3.318) 8.635 41.482 ( -2.954 0.574 3.196) 4.390 41.580 ( -0.961 4.180 1.553) 4.562 41.692 ( -1.219 -3.571 3.104) 4.886 41.821 ( -0.736 4.108 -1.926) 4.597 42.922 ( 4.780 7.901 8.744) 12.717 43.636 ( -14.316 -13.745 -0.336) 19.849 44.255 ( 1.763 -7.631 4.971) 9.277 45.298 ( 0.605 -15.084 1.531) 15.173 ======================= Grid point 103 (48/114) ======================= q-point: (-0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -6.933 -0.000 14.099) 15.711 2.154 ( 5.318 -0.000 6.068) 8.068 2.453 ( 10.758 -0.000 -1.780) 10.904 2.636 ( -6.023 -0.000 -6.162) 8.617 2.930 ( 3.493 -0.000 -2.773) 4.460 2.963 ( -2.142 -0.000 -8.424) 8.692 3.132 ( -1.516 -0.000 -0.576) 1.622 3.177 ( 2.775 0.000 -13.814) 14.090 3.697 ( 3.815 -0.000 -1.173) 3.991 3.867 ( -5.515 -0.000 -1.439) 5.699 3.971 ( 4.768 -0.000 3.999) 6.223 4.296 ( -0.079 -0.000 15.162) 15.163 4.414 ( -2.562 -0.000 2.157) 3.349 4.489 ( -1.677 -0.000 -2.950) 3.393 4.595 ( 3.456 -0.000 6.440) 7.309 4.951 ( -10.374 -0.000 -3.488) 10.945 5.168 ( 4.330 -0.000 5.514) 7.010 5.635 ( 4.125 -0.000 6.333) 7.558 6.005 ( -0.595 -0.000 -1.436) 1.555 6.283 ( 8.209 -0.000 -7.479) 11.105 6.384 ( 4.434 -0.000 4.142) 6.068 6.724 ( -10.691 -0.000 7.298) 12.944 6.762 ( 2.733 0.000 -12.192) 12.494 6.774 ( 1.480 -0.000 -14.010) 14.088 7.011 ( -2.959 -0.000 4.745) 5.593 7.267 ( -4.710 -0.000 -2.648) 5.404 7.345 ( -18.930 -0.000 -7.573) 20.389 7.362 ( 0.289 -0.000 3.978) 3.989 7.633 ( 4.344 -0.000 4.057) 5.944 7.768 ( 3.193 0.000 4.789) 5.756 7.812 ( 3.417 -0.000 7.913) 8.619 8.144 ( 10.028 -0.000 1.223) 10.102 8.556 ( -0.407 -0.000 -4.588) 4.606 8.629 ( 0.933 -0.000 5.723) 5.798 8.839 ( -2.504 -0.000 4.456) 5.111 8.949 ( -0.830 -0.000 -0.611) 1.031 9.368 ( 1.766 -0.000 -1.409) 2.259 9.410 ( -5.945 -0.000 -14.047) 15.254 9.860 ( -0.639 -0.000 -10.323) 10.343 9.978 ( -5.076 -0.000 -10.055) 11.264 10.315 ( 10.504 -0.000 9.045) 13.861 10.624 ( -4.515 -0.000 2.038) 4.954 10.634 ( 3.904 -0.000 3.089) 4.978 10.812 ( -0.865 -0.000 1.426) 1.667 11.102 ( 1.082 -0.000 6.985) 7.068 11.488 ( 1.613 -0.000 -1.451) 2.169 12.084 ( -0.127 -0.000 0.428) 0.447 12.248 ( -3.800 -0.000 -1.083) 3.951 13.303 ( -6.749 -0.000 1.186) 6.853 13.361 ( 7.334 0.000 3.050) 7.943 13.824 ( 2.566 -0.000 -1.743) 3.102 13.961 ( -8.662 -0.000 -0.355) 8.670 14.339 ( 5.626 -0.000 4.494) 7.201 14.629 ( 2.658 -0.000 0.536) 2.711 15.096 ( -2.563 -0.000 -0.639) 2.641 15.335 ( 0.978 -0.000 1.988) 2.215 15.513 ( 2.401 -0.000 -4.913) 5.468 15.594 ( 9.194 -0.000 -1.954) 9.399 16.636 ( 0.226 -0.000 1.903) 1.916 16.842 ( -0.275 -0.000 -0.426) 0.507 18.567 ( -11.572 -0.000 4.829) 12.539 18.725 ( -6.211 -0.000 3.624) 7.192 18.954 ( 7.438 -0.000 -3.315) 8.143 19.341 ( -0.620 -0.000 -3.285) 3.343 19.422 ( -0.373 -0.000 -4.025) 4.042 19.458 ( 3.342 -0.000 -1.192) 3.548 19.583 ( 3.171 -0.000 1.345) 3.444 19.649 ( -3.610 -0.000 0.463) 3.640 20.289 ( 4.019 -0.000 0.623) 4.067 20.352 ( -8.242 -0.000 -0.588) 8.263 20.521 ( 1.180 -0.000 1.381) 1.817 20.545 ( -0.544 -0.000 -0.105) 0.554 20.930 ( 0.343 -0.000 -2.563) 2.586 21.123 ( -1.356 -0.000 0.726) 1.538 21.140 ( -0.003 -0.000 5.156) 5.156 21.309 ( 2.604 -0.000 -3.966) 4.744 21.545 ( -1.093 -0.000 1.893) 2.185 21.605 ( 1.354 -0.000 -1.404) 1.951 22.019 ( 2.383 -0.000 0.289) 2.401 22.080 ( 0.469 -0.000 -3.376) 3.408 23.015 ( -3.109 -0.000 5.867) 6.640 23.498 ( -2.965 -0.000 4.085) 5.047 23.700 ( 3.549 -0.000 -0.024) 3.549 23.833 ( 2.231 -0.000 -6.432) 6.808 27.320 ( -4.910 -0.000 1.181) 5.050 27.537 ( 3.628 -0.000 -1.808) 4.054 27.627 ( -6.870 -0.000 1.582) 7.050 27.797 ( 5.557 -0.000 -0.973) 5.641 31.747 ( 1.012 -0.000 0.524) 1.140 31.774 ( 0.052 -0.000 1.467) 1.468 31.852 ( 0.073 -0.000 -1.164) 1.167 31.923 ( -0.539 -0.000 -0.492) 0.730 35.933 ( 0.352 -0.000 3.197) 3.217 36.328 ( -5.612 -0.000 -8.653) 10.314 37.048 ( 13.207 -0.000 8.969) 15.964 37.317 ( -4.167 -0.000 -3.007) 5.139 39.185 ( 2.323 -0.000 2.833) 3.664 39.305 ( 3.506 -0.000 -1.655) 3.877 39.489 ( -5.759 -0.000 2.557) 6.301 39.910 ( 2.114 -0.000 -4.675) 5.131 41.305 ( 0.041 -0.000 1.340) 1.340 41.611 ( -2.652 -0.000 1.594) 3.094 41.948 ( -1.662 -0.000 1.924) 2.543 42.104 ( -1.824 -0.000 -2.280) 2.919 43.571 ( 8.458 -0.000 -2.461) 8.809 43.611 ( -4.519 0.000 -4.813) 6.602 43.895 ( -16.921 -0.000 5.918) 17.926 44.201 ( 14.098 -0.000 -0.758) 14.119 ======================= Grid point 105 (49/114) ======================= q-point: (-0.38 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -5.154 -0.716 6.941) 8.675 2.322 ( 7.711 -0.476 4.758) 9.073 2.398 ( 1.961 8.983 -4.681) 10.317 2.588 ( -1.846 -1.755 -10.190) 10.503 2.930 ( 4.908 -5.745 -2.112) 7.846 3.016 ( 3.405 -0.690 6.052) 6.978 3.030 ( 0.541 8.099 2.621) 8.530 3.258 ( 2.159 -9.547 -1.559) 9.911 3.696 ( 0.941 2.890 -3.907) 4.950 3.839 ( -0.860 -8.042 -5.100) 9.562 3.996 ( -0.024 7.251 3.531) 8.065 4.205 ( -7.483 4.352 -9.271) 12.684 4.402 ( -4.005 -1.096 3.650) 5.528 4.519 ( -1.345 2.503 9.130) 9.562 4.674 ( 1.718 -0.220 -1.447) 2.257 4.800 ( -7.900 -5.540 -5.130) 10.928 5.289 ( 4.101 2.568 16.694) 17.381 5.665 ( -3.287 3.243 8.052) 9.282 5.966 ( -5.373 5.985 5.068) 9.506 6.228 ( 1.137 5.943 -11.382) 12.890 6.465 ( 5.451 2.104 -2.120) 6.216 6.596 ( -2.735 7.648 -9.607) 12.581 6.631 ( -6.905 3.918 3.253) 8.579 6.698 ( -4.952 1.725 -6.562) 8.400 6.928 ( -10.237 6.967 6.569) 14.018 6.994 ( -10.615 -1.165 -14.595) 18.084 7.175 ( -4.383 3.035 4.816) 7.184 7.406 ( -2.524 -3.627 3.516) 5.647 7.689 ( 4.250 4.395 -2.018) 6.438 7.807 ( 3.683 2.405 4.567) 6.340 7.863 ( -5.212 3.678 7.576) 9.904 8.258 ( 1.983 -1.016 4.376) 4.911 8.532 ( 3.894 -2.463 -3.895) 6.033 8.666 ( -0.111 1.555 7.514) 7.675 8.891 ( -4.616 -8.427 1.599) 9.741 8.988 ( 6.373 -0.815 0.002) 6.424 9.230 ( -3.905 1.125 -12.715) 13.349 9.394 ( 2.202 -0.436 -1.225) 2.558 9.722 ( -12.094 -2.941 -10.646) 16.378 9.948 ( 11.484 -1.248 -10.948) 15.915 10.531 ( 6.035 2.112 5.217) 8.252 10.587 ( 1.120 -0.557 3.241) 3.474 10.720 ( 3.080 -0.977 4.164) 5.271 10.844 ( 1.595 -6.573 -4.217) 7.971 11.244 ( 5.916 -6.018 8.486) 11.968 11.587 ( 9.056 -5.391 -1.275) 10.616 12.019 ( -1.258 7.829 3.381) 8.620 12.264 ( -1.952 -8.767 -2.405) 9.299 13.093 ( -10.192 12.185 2.159) 16.032 13.369 ( -9.780 11.050 1.098) 14.797 13.798 ( 5.493 -2.861 1.158) 6.300 13.887 ( -11.759 -6.867 -4.562) 14.361 14.401 ( 4.541 7.293 7.271) 11.255 14.706 ( 4.499 -2.357 0.152) 5.081 15.074 ( 0.019 -0.707 0.046) 0.708 15.367 ( 1.803 -0.140 1.694) 2.477 15.564 ( 5.119 -3.516 -2.975) 6.886 15.746 ( 11.971 -3.573 -3.105) 12.873 16.673 ( 0.807 -2.291 1.743) 2.990 16.862 ( 3.532 -1.048 -1.061) 3.834 18.430 ( -10.851 2.486 4.823) 12.132 18.629 ( -5.508 3.638 0.994) 6.676 19.100 ( 9.248 -4.522 0.267) 10.298 19.307 ( -1.471 -0.101 -3.218) 3.540 19.397 ( -0.253 -1.506 -4.860) 5.094 19.502 ( 4.089 0.274 -1.470) 4.354 19.618 ( 0.074 -1.022 0.234) 1.052 19.690 ( 4.285 -6.299 1.201) 7.713 20.204 ( -9.003 2.846 -1.254) 9.525 20.330 ( 3.294 1.965 1.621) 4.164 20.544 ( -0.950 -1.196 0.114) 1.532 20.586 ( 1.862 -4.098 0.247) 4.508 20.931 ( 0.855 -0.635 -0.955) 1.431 21.095 ( -2.500 0.785 0.059) 2.620 21.176 ( 0.302 0.477 3.927) 3.968 21.324 ( 3.502 -0.697 -3.086) 4.720 21.548 ( -0.606 -0.301 1.455) 1.605 21.626 ( 3.644 0.220 -1.090) 3.810 22.005 ( -0.947 2.701 -1.714) 3.337 22.080 ( 0.315 -2.533 -0.979) 2.734 23.002 ( -3.646 2.228 6.392) 7.688 23.443 ( -7.547 2.288 2.904) 8.404 23.675 ( -2.305 2.784 -3.908) 5.323 23.844 ( 5.776 1.777 -1.889) 6.331 27.224 ( -5.944 3.363 0.747) 6.871 27.485 ( -8.899 4.829 0.189) 10.126 27.600 ( 2.491 -3.278 -1.688) 4.449 27.889 ( 5.576 -1.924 0.507) 5.920 31.764 ( 0.238 -1.257 0.452) 1.357 31.816 ( 2.914 -0.403 2.323) 3.748 31.857 ( 1.109 -0.924 -0.959) 1.733 31.920 ( 0.190 -1.110 -1.389) 1.788 35.940 ( -1.181 2.166 3.845) 4.568 36.161 ( -7.598 2.773 -7.529) 11.050 37.013 ( -5.700 17.507 4.044) 18.851 37.393 ( 3.942 -9.194 1.533) 10.120 39.221 ( -3.030 1.640 1.296) 3.681 39.285 ( 0.018 -1.587 1.448) 2.148 39.523 ( 4.508 -1.690 0.941) 4.906 39.945 ( 5.489 -3.590 -4.790) 8.122 41.335 ( -0.487 -2.847 2.634) 3.909 41.594 ( -2.375 -0.843 1.661) 3.019 41.906 ( -1.725 5.299 1.192) 5.699 42.025 ( -4.204 1.624 -4.881) 6.643 43.374 ( -1.353 14.943 -1.239) 15.055 43.621 ( -9.785 4.776 -2.992) 11.292 43.849 ( 3.110 -11.864 0.657) 12.282 44.516 ( 14.929 -14.479 1.989) 20.892 ======================= Grid point 106 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -12.614 -5.981 1.668) 14.059 2.071 ( -9.727 17.849 -2.729) 20.509 2.493 ( 1.411 4.479 -7.596) 8.930 2.593 ( 7.207 -8.336 2.235) 11.244 2.874 ( -7.789 7.783 3.445) 11.538 3.120 ( 3.089 1.876 7.727) 8.531 3.159 ( 11.549 -6.102 1.412) 13.138 3.420 ( 1.602 -3.547 13.328) 13.884 3.631 ( -0.964 -2.794 -7.682) 8.231 3.777 ( -7.584 9.984 -12.427) 17.653 3.958 ( 6.189 -10.460 -8.317) 14.727 4.051 ( -4.213 4.973 -0.239) 6.522 4.332 ( -12.204 7.233 0.852) 14.212 4.413 ( -4.051 -0.327 -0.494) 4.094 4.665 ( -2.226 -4.479 -2.574) 5.625 4.853 ( 4.407 -2.911 -1.578) 5.512 5.405 ( 2.144 6.831 14.772) 16.415 5.596 ( -8.309 6.431 8.929) 13.789 5.765 ( -7.373 14.047 4.005) 16.362 6.021 ( -3.470 9.318 -9.550) 13.787 6.299 ( -6.788 3.733 -9.276) 12.085 6.471 ( -9.668 10.615 6.194) 15.637 6.549 ( 8.181 3.554 -3.460) 9.567 6.615 ( -5.269 -2.073 4.973) 7.535 6.774 ( -0.134 -1.097 -7.268) 7.352 7.015 ( 6.451 -7.974 -6.935) 12.382 7.164 ( -2.689 -0.121 9.172) 9.559 7.410 ( -7.024 -2.562 1.798) 7.690 7.633 ( 4.086 6.097 -5.868) 9.397 7.780 ( -7.172 1.641 6.726) 9.968 7.831 ( 2.722 6.077 2.734) 7.199 8.286 ( -3.898 -1.139 3.724) 5.510 8.617 ( 4.222 -3.211 -1.783) 5.596 8.684 ( -3.582 -0.229 4.620) 5.851 8.943 ( -3.889 -6.855 3.341) 8.560 9.099 ( 0.897 4.600 -5.056) 6.894 9.105 ( 4.400 -2.495 -0.111) 5.059 9.354 ( -3.823 2.280 -4.973) 6.674 9.612 ( -2.693 -7.586 -8.476) 11.690 10.024 ( 8.396 0.407 -8.012) 11.613 10.544 ( -0.016 -2.838 -0.394) 2.865 10.607 ( 0.541 3.103 1.210) 3.374 10.831 ( 6.112 -0.169 5.316) 8.102 10.955 ( 7.902 -6.367 -5.029) 11.326 11.458 ( 5.260 -4.520 7.635) 10.315 11.734 ( 5.167 -4.178 -5.541) 8.652 11.965 ( -3.661 1.410 7.224) 8.220 12.323 ( -1.085 2.789 0.995) 3.153 12.811 ( -13.451 3.305 1.323) 13.914 13.084 ( -3.588 16.524 0.704) 16.924 13.761 ( -11.371 -4.871 -2.571) 12.635 13.962 ( 5.097 -6.853 -3.228) 9.130 14.402 ( 3.312 6.861 6.532) 10.036 14.749 ( 2.718 2.928 -0.382) 4.013 15.133 ( 4.034 -2.619 1.786) 5.131 15.410 ( 1.869 -1.193 1.263) 2.551 15.643 ( 6.069 -1.084 -4.043) 7.373 15.885 ( 9.931 -0.838 -6.058) 11.663 16.724 ( 0.279 -2.771 0.910) 2.930 16.945 ( 7.169 -2.211 -0.895) 7.555 18.347 ( -9.933 -3.043 8.800) 13.615 18.533 ( -6.913 -0.000 0.799) 6.959 19.197 ( -2.181 -0.630 0.014) 2.270 19.295 ( 5.458 2.799 -0.803) 6.186 19.383 ( -1.173 -2.601 -3.895) 4.828 19.536 ( 2.494 -3.096 -2.543) 4.719 19.646 ( 1.159 -1.576 0.220) 1.968 19.888 ( 9.650 -8.588 1.306) 12.983 20.070 ( -6.226 -0.312 -1.985) 6.542 20.360 ( 3.921 2.917 2.083) 5.313 20.544 ( -2.626 -1.914 0.393) 3.273 20.644 ( 0.410 -1.766 0.281) 1.834 20.942 ( 0.495 -0.241 -0.685) 0.879 21.048 ( -2.708 1.178 0.209) 2.960 21.175 ( -0.898 2.921 2.245) 3.792 21.361 ( 2.514 -0.850 -2.101) 3.385 21.559 ( 0.020 -1.049 0.337) 1.102 21.684 ( 6.338 -0.943 -0.639) 6.440 21.950 ( -2.087 -0.764 -3.045) 3.769 22.121 ( 1.483 -2.425 0.199) 2.850 22.965 ( -3.409 3.846 6.337) 8.159 23.299 ( -10.758 4.302 1.441) 11.675 23.561 ( -1.595 4.845 -4.839) 7.031 23.874 ( 5.026 3.447 -0.557) 6.120 27.124 ( -6.183 1.491 1.816) 6.614 27.312 ( -9.482 3.969 0.584) 10.296 27.649 ( 2.838 -1.351 -1.674) 3.562 27.977 ( 5.456 -0.179 0.443) 5.477 31.789 ( 0.235 -1.582 0.204) 1.612 31.848 ( 0.358 0.159 0.514) 0.647 31.900 ( 2.954 -1.300 0.111) 3.229 31.941 ( 1.383 -2.138 -0.796) 2.668 35.885 ( -4.865 5.380 1.897) 7.497 36.013 ( -3.295 1.475 -2.370) 4.319 36.667 ( -14.858 16.146 -0.806) 21.956 37.544 ( 8.275 0.801 2.805) 8.774 39.124 ( -5.010 2.741 -0.246) 5.716 39.368 ( 2.011 -4.086 1.360) 4.753 39.598 ( 3.375 -1.130 0.778) 3.643 40.062 ( 7.895 -6.047 -4.424) 10.884 41.396 ( -1.248 -4.158 4.745) 6.431 41.600 ( -2.080 -2.337 1.702) 3.562 41.793 ( -2.094 8.375 -0.004) 8.633 41.922 ( -2.750 3.073 -2.369) 4.756 43.166 ( -3.914 10.349 -1.786) 11.208 43.426 ( -12.603 -3.284 -8.199) 15.390 44.079 ( 9.937 -6.777 5.627) 13.279 44.887 ( 10.953 -15.866 -0.146) 19.280 ======================= Grid point 107 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -18.103 3.131 -0.031) 18.372 1.817 ( -17.743 -7.515 10.315) 21.856 2.414 ( 4.548 6.422 -4.107) 8.877 2.521 ( -12.962 11.180 1.114) 17.153 2.874 ( 3.820 -3.991 4.736) 7.277 3.084 ( -0.692 10.117 0.330) 10.146 3.306 ( 0.817 -0.955 -9.455) 9.539 3.498 ( -4.741 0.864 -12.853) 13.727 3.551 ( 5.523 -4.826 5.895) 9.410 3.684 ( -1.141 -1.418 -5.435) 5.731 3.908 ( -1.399 2.917 4.863) 5.840 4.099 ( 3.607 -4.263 -5.667) 7.956 4.163 ( -0.997 3.104 5.107) 6.059 4.410 ( -1.075 -0.783 3.874) 4.096 4.671 ( -2.285 -7.375 -6.803) 10.291 4.900 ( 2.893 1.074 -0.817) 3.192 5.263 ( -5.780 14.180 -3.332) 15.671 5.499 ( -2.182 5.217 3.460) 6.629 5.613 ( 1.264 8.831 2.365) 9.229 5.840 ( -5.969 6.398 -2.911) 9.222 6.178 ( -5.443 2.875 11.931) 13.425 6.347 ( -2.692 0.574 2.555) 3.755 6.550 ( 2.917 4.307 0.505) 5.226 6.685 ( 2.190 -4.130 4.502) 6.490 6.802 ( 6.296 -6.889 -13.725) 16.598 7.132 ( 7.852 -1.069 -5.878) 9.867 7.256 ( -0.505 -5.212 12.095) 13.180 7.314 ( -8.894 0.319 -2.343) 9.203 7.609 ( 6.607 1.704 -2.470) 7.257 7.756 ( -4.512 3.679 5.405) 7.944 7.764 ( -2.134 0.872 -0.265) 2.320 8.231 ( -6.108 3.186 1.878) 7.141 8.593 ( -6.660 6.336 3.422) 9.808 8.711 ( 1.022 -7.991 -5.977) 10.031 8.951 ( -3.745 3.118 -3.575) 6.044 9.063 ( 2.983 0.625 10.133) 10.582 9.146 ( -1.865 -2.572 -5.279) 6.161 9.323 ( 1.483 -2.814 4.385) 5.417 9.651 ( 2.773 -4.463 -5.691) 7.746 10.025 ( 3.141 0.842 -6.079) 6.894 10.570 ( -2.058 1.125 1.503) 2.786 10.619 ( 1.716 -4.605 -2.623) 5.570 10.963 ( 9.996 -2.731 1.623) 10.489 11.126 ( 11.761 -7.058 -3.599) 14.180 11.521 ( -4.995 3.610 0.638) 6.196 11.770 ( 2.551 -3.471 -2.062) 4.776 11.942 ( -6.319 3.941 8.519) 11.316 12.077 ( -14.243 14.852 2.742) 20.760 12.774 ( -1.815 -1.427 0.563) 2.377 12.954 ( 6.962 5.698 -0.701) 9.024 13.712 ( -5.934 -7.506 -1.490) 9.683 14.022 ( 2.854 1.964 -1.998) 3.999 14.433 ( 2.292 -1.063 2.072) 3.267 14.710 ( 2.396 7.430 -0.316) 7.813 15.217 ( 2.995 -0.590 1.211) 3.284 15.453 ( 1.081 -1.300 0.345) 1.726 15.683 ( 5.918 1.370 -4.602) 7.621 15.921 ( 7.164 2.631 -9.635) 12.291 16.759 ( -0.159 -2.012 0.311) 2.042 17.058 ( 6.265 -1.852 -0.537) 6.555 18.373 ( -10.558 -8.658 11.461) 17.827 18.474 ( -8.132 -3.690 3.002) 9.421 19.148 ( -2.305 0.676 -1.650) 2.914 19.310 ( 3.443 2.389 -0.437) 4.213 19.353 ( -4.183 -1.581 -1.850) 4.839 19.595 ( 1.191 -2.572 0.398) 2.862 19.674 ( -0.080 -0.206 0.697) 0.731 20.053 ( 2.968 -5.708 -2.878) 7.048 20.149 ( 9.943 -8.175 1.406) 12.949 20.377 ( 3.097 4.024 1.987) 5.453 20.516 ( -5.787 0.261 1.254) 5.928 20.644 ( -0.648 0.875 1.112) 1.556 20.938 ( 0.313 0.020 -1.985) 2.009 21.013 ( -2.102 1.223 2.707) 3.639 21.122 ( -2.440 3.071 1.182) 4.097 21.363 ( 0.032 0.181 -1.793) 1.802 21.578 ( 0.774 -2.462 -2.545) 3.624 21.784 ( 5.648 -0.562 0.591) 5.707 21.929 ( -0.448 -3.326 -5.868) 6.759 22.164 ( 1.673 -0.253 -1.309) 2.139 22.918 ( -2.265 3.799 4.861) 6.572 23.116 ( -8.962 4.342 0.771) 9.989 23.481 ( 1.545 3.246 -1.832) 4.035 23.872 ( 3.632 4.174 -1.755) 5.805 27.064 ( -5.799 -1.317 2.472) 6.440 27.180 ( -7.465 0.500 2.037) 7.754 27.688 ( 4.145 0.801 -0.079) 4.223 28.029 ( 4.371 1.897 -0.502) 4.791 31.806 ( -0.183 -1.235 -0.793) 1.479 31.847 ( -0.047 0.253 0.061) 0.265 31.939 ( 1.133 -1.391 -1.008) 2.057 31.983 ( 1.441 -0.750 0.979) 1.897 35.755 ( -4.655 4.555 0.419) 6.526 36.001 ( 1.439 -1.018 1.063) 2.058 36.294 ( -12.856 12.085 -1.641) 17.720 37.614 ( 9.550 7.419 -0.088) 12.094 39.046 ( -2.738 1.521 -0.141) 3.135 39.413 ( -0.544 -2.163 -3.400) 4.066 39.662 ( 3.058 -0.581 3.522) 4.700 40.193 ( 6.147 -4.688 -4.718) 9.057 41.464 ( -2.223 -2.508 6.353) 7.183 41.587 ( -2.840 0.547 -0.576) 2.949 41.717 ( 0.436 2.904 3.761) 4.772 41.854 ( -0.741 2.725 1.420) 3.161 43.032 ( -4.125 1.820 1.680) 4.811 43.255 ( -13.339 -9.499 -16.644) 23.349 44.321 ( 9.298 -2.267 10.322) 14.076 45.141 ( 3.325 -11.459 -4.222) 12.657 ======================= Grid point 113 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -11.012 0.000 -10.470) 15.195 2.429 ( 4.211 -0.000 0.852) 4.296 2.478 ( -1.034 0.000 6.153) 6.240 2.572 ( 4.657 -0.000 -9.056) 10.183 2.853 ( 3.372 -0.000 -5.865) 6.766 3.087 ( 6.180 -0.000 4.477) 7.631 3.109 ( 2.118 -0.000 -6.305) 6.652 3.364 ( 9.997 -0.000 21.836) 24.015 3.606 ( -9.561 0.000 -8.860) 13.035 3.782 ( 7.882 -0.000 -8.471) 11.571 3.970 ( -13.932 0.000 -20.026) 24.396 4.082 ( -4.227 0.000 11.825) 12.558 4.369 ( -4.456 0.000 6.319) 7.732 4.453 ( -16.283 0.000 -4.001) 16.768 4.651 ( -2.307 0.000 1.765) 2.905 4.768 ( 6.871 -0.000 -0.041) 6.871 5.498 ( 3.063 -0.000 20.840) 21.064 5.694 ( -4.286 0.000 9.775) 10.673 5.989 ( -6.525 0.000 9.580) 11.591 6.104 ( -9.856 0.000 -14.180) 17.269 6.544 ( -0.867 0.000 -10.162) 10.199 6.570 ( -17.475 0.000 11.801) 21.086 6.602 ( -10.119 0.000 -14.534) 17.710 6.621 ( 9.844 -0.000 -1.148) 9.911 6.640 ( -3.778 0.000 -12.392) 12.955 6.916 ( -6.709 0.000 6.063) 9.043 7.089 ( -15.435 0.000 8.387) 17.566 7.347 ( -4.953 0.000 3.068) 5.826 7.763 ( -6.064 0.000 -1.720) 6.304 7.777 ( -1.825 0.000 -2.769) 3.316 7.902 ( -1.071 0.000 6.890) 6.972 8.294 ( -1.651 0.000 2.149) 2.710 8.552 ( 7.396 -0.000 -3.991) 8.404 8.711 ( -2.572 0.000 9.175) 9.528 8.832 ( 2.473 -0.000 0.066) 2.474 9.090 ( 10.939 -0.000 -1.738) 11.077 9.150 ( 0.431 -0.000 -6.045) 6.060 9.417 ( 2.217 -0.000 0.249) 2.231 9.427 ( -15.202 0.000 -12.049) 19.398 10.042 ( 13.323 -0.000 -8.973) 16.063 10.516 ( -1.966 0.000 -3.219) 3.772 10.719 ( -3.697 0.000 -4.428) 5.768 10.834 ( 14.452 -0.000 6.954) 16.038 10.851 ( 9.656 -0.000 6.327) 11.545 11.383 ( 11.928 -0.000 9.072) 14.986 11.668 ( 11.432 -0.000 -7.432) 13.635 12.071 ( -5.143 0.000 -2.970) 5.939 12.192 ( 5.356 -0.000 8.630) 10.157 12.962 ( -18.744 0.000 -1.347) 18.792 13.432 ( -7.755 0.000 4.733) 9.085 13.628 ( -9.204 0.000 -9.020) 12.887 13.762 ( -7.176 0.000 8.222) 10.913 14.558 ( 2.543 -0.000 7.227) 7.662 14.745 ( 5.059 -0.000 -1.078) 5.173 15.097 ( 3.699 -0.000 1.891) 4.154 15.395 ( 1.754 -0.000 0.642) 1.868 15.623 ( 8.418 -0.000 -1.080) 8.486 15.869 ( 12.403 -0.000 -2.826) 12.720 16.689 ( 1.560 -0.000 1.682) 2.294 16.919 ( 8.434 -0.000 -1.627) 8.589 18.328 ( -10.213 0.000 1.941) 10.396 18.550 ( -5.537 0.000 -6.673) 8.671 19.174 ( 2.232 -0.000 1.542) 2.713 19.305 ( 7.702 -0.000 -3.702) 8.545 19.354 ( -1.370 0.000 -3.081) 3.372 19.563 ( -1.742 0.000 -1.237) 2.136 19.568 ( 4.846 -0.000 -2.056) 5.264 19.767 ( 9.023 -0.000 3.499) 9.677 20.085 ( -10.048 0.000 -1.520) 10.163 20.386 ( 0.777 -0.000 3.626) 3.708 20.555 ( 0.175 -0.000 0.616) 0.640 20.578 ( 3.171 -0.000 -0.633) 3.233 20.943 ( 1.572 -0.000 0.349) 1.610 21.058 ( -3.324 0.000 -0.959) 3.460 21.217 ( 1.244 -0.000 2.926) 3.180 21.341 ( 3.530 -0.000 -2.774) 4.490 21.546 ( -0.839 0.000 1.236) 1.494 21.678 ( 5.334 -0.000 -0.745) 5.385 21.950 ( -6.078 0.000 -5.414) 8.139 22.067 ( 0.273 -0.000 2.378) 2.393 23.015 ( -4.346 0.000 7.646) 8.795 23.356 ( -11.152 0.000 1.733) 11.286 23.627 ( -3.053 0.000 -4.008) 5.038 23.924 ( 5.364 -0.000 0.271) 5.371 27.143 ( -8.488 0.000 -1.034) 8.551 27.366 ( -11.831 0.000 -1.954) 11.991 27.630 ( 4.645 -0.000 0.892) 4.730 27.977 ( 6.561 -0.000 2.866) 7.159 31.769 ( 1.153 -0.000 0.560) 1.281 31.862 ( 1.810 -0.000 -0.784) 1.972 31.879 ( 4.086 -0.000 2.500) 4.790 31.902 ( 0.449 -0.000 -2.419) 2.460 35.965 ( -2.181 0.000 4.921) 5.383 36.026 ( -8.574 0.000 -5.169) 10.011 36.923 ( -18.306 0.000 -7.359) 19.730 37.525 ( 9.441 -0.000 16.702) 19.186 39.200 ( -5.175 0.000 -0.050) 5.175 39.261 ( 0.650 -0.000 0.882) 1.096 39.598 ( 6.737 -0.000 -0.095) 6.738 39.961 ( 6.784 -0.000 -5.054) 8.460 41.337 ( -0.759 0.000 5.271) 5.325 41.570 ( -1.818 0.000 0.690) 1.945 41.929 ( -1.365 0.000 0.771) 1.568 41.944 ( -4.493 0.000 -4.275) 6.202 43.294 ( -6.091 0.000 -19.986) 20.894 43.450 ( -20.361 0.000 -3.102) 20.596 43.961 ( 16.571 -0.000 9.857) 19.281 44.652 ( 16.699 -0.000 1.206) 16.743 ======================= Grid point 114 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -17.609 -5.665 -9.859) 20.961 2.138 ( -16.535 20.516 -4.337) 26.704 2.569 ( 3.863 -0.972 -3.542) 5.331 2.617 ( 5.086 1.205 3.393) 6.232 2.870 ( -2.900 0.966 1.811) 3.554 3.141 ( 2.556 -6.513 -5.726) 9.041 3.261 ( 10.876 -1.558 3.296) 11.471 3.415 ( -8.544 -2.164 -7.392) 11.503 3.599 ( -12.968 3.625 -21.089) 25.021 3.631 ( 6.001 -0.097 16.245) 17.318 3.856 ( 8.194 -6.198 -12.073) 15.853 4.083 ( -7.393 5.542 9.709) 13.403 4.216 ( -12.468 -0.539 2.321) 12.693 4.386 ( -1.999 -0.873 8.843) 9.108 4.590 ( -5.566 0.415 -2.994) 6.334 4.868 ( 3.713 -2.964 1.214) 4.904 5.557 ( -8.104 9.096 3.869) 12.782 5.690 ( -2.505 7.006 13.343) 15.277 5.820 ( -7.636 5.220 -1.057) 9.310 5.990 ( -5.893 2.081 1.504) 6.428 6.156 ( -9.000 3.694 -11.834) 15.319 6.497 ( -7.571 6.499 3.491) 10.570 6.564 ( -6.144 -8.444 1.301) 10.523 6.607 ( 2.883 -2.553 -4.457) 5.890 6.727 ( 4.381 4.190 -0.564) 6.089 6.864 ( -6.620 -8.344 0.005) 10.651 7.056 ( -9.882 -11.590 8.739) 17.560 7.310 ( -6.915 -1.260 0.856) 7.080 7.635 ( -4.207 1.929 -2.898) 5.461 7.707 ( -6.332 -2.389 -0.493) 6.786 7.942 ( 3.092 3.838 0.746) 4.985 8.246 ( -4.254 1.472 0.962) 4.603 8.634 ( 7.167 -0.628 -2.389) 7.581 8.730 ( -3.404 1.809 7.109) 8.087 8.886 ( -0.369 -2.618 3.283) 4.216 9.086 ( -5.535 1.836 -11.109) 12.546 9.167 ( 2.916 1.147 -0.659) 3.203 9.269 ( 3.006 -1.091 2.089) 3.819 9.494 ( 3.015 -5.702 0.209) 6.453 10.096 ( 7.423 2.983 -9.153) 12.156 10.489 ( 1.368 -3.717 -7.203) 8.220 10.652 ( -0.589 2.790 1.278) 3.125 10.992 ( 7.135 1.568 8.739) 11.390 11.048 ( 13.930 -0.061 -1.798) 14.046 11.598 ( 10.152 3.494 4.705) 11.722 11.723 ( 7.346 -1.793 -8.303) 11.230 11.999 ( -1.043 2.368 5.185) 5.795 12.355 ( -1.013 1.340 3.913) 4.258 12.698 ( -9.847 2.068 2.420) 10.349 13.245 ( -3.214 13.540 -1.895) 14.044 13.505 ( -12.975 -7.465 0.726) 14.987 13.821 ( -5.902 -12.080 2.958) 13.766 14.565 ( 1.313 7.062 3.844) 8.147 14.804 ( 3.494 -0.346 -1.151) 3.695 15.190 ( 5.703 -1.110 3.300) 6.682 15.425 ( 2.149 -0.634 -0.168) 2.246 15.711 ( 6.878 0.585 -2.493) 7.339 15.969 ( 8.403 0.974 -5.637) 10.165 16.727 ( 1.405 -0.544 2.196) 2.663 17.037 ( 11.026 -0.134 -2.352) 11.275 18.241 ( -6.765 -2.005 2.078) 7.355 18.446 ( -3.173 0.219 -3.899) 5.032 19.163 ( -2.299 0.417 -0.538) 2.398 19.305 ( -3.569 -0.425 -2.633) 4.455 19.402 ( 6.842 1.019 -1.744) 7.134 19.533 ( 2.329 0.276 -1.148) 2.611 19.636 ( 2.399 -2.929 -0.736) 3.857 19.954 ( 10.671 -4.893 2.377) 11.978 19.963 ( -6.307 -1.614 -0.912) 6.574 20.422 ( 0.345 -0.568 3.982) 4.037 20.536 ( -0.025 2.612 0.701) 2.704 20.636 ( 1.720 -2.176 0.180) 2.780 20.953 ( 0.428 1.538 -0.432) 1.654 21.013 ( -2.856 -0.895 -0.448) 3.026 21.222 ( -0.258 3.670 1.137) 3.851 21.369 ( 2.602 -0.473 -2.670) 3.758 21.544 ( -1.362 -0.519 0.932) 1.730 21.750 ( 6.608 -0.787 -0.809) 6.704 21.833 ( -7.324 -3.018 -5.595) 9.698 22.111 ( 0.991 -2.407 3.262) 4.174 23.004 ( -4.640 2.049 8.176) 9.622 23.198 ( -12.701 1.904 0.685) 12.861 23.557 ( -1.596 2.030 -2.627) 3.684 23.968 ( 4.068 2.508 -1.069) 4.897 27.030 ( -8.663 -0.946 -0.338) 8.721 27.200 ( -11.107 0.673 -1.082) 11.180 27.703 ( 5.537 0.310 1.552) 5.758 28.068 ( 5.360 0.921 2.218) 5.874 31.793 ( 1.580 0.037 0.435) 1.640 31.870 ( 1.464 1.177 -0.791) 2.038 31.902 ( 1.487 -1.131 -1.987) 2.727 31.955 ( 3.193 -1.228 1.732) 3.834 35.869 ( -7.464 3.577 -0.872) 8.322 35.979 ( -2.697 -0.999 3.778) 4.748 36.577 ( -18.427 8.088 -6.315) 21.092 37.744 ( 8.422 2.822 14.431) 16.945 39.115 ( -2.784 3.613 -0.513) 4.590 39.304 ( -0.164 -5.172 -2.469) 5.733 39.669 ( 5.155 0.581 1.113) 5.306 40.045 ( 6.514 -5.072 -4.990) 9.647 41.393 ( -1.116 -1.951 9.823) 10.077 41.561 ( -1.172 -1.205 -0.610) 1.789 41.837 ( -3.097 4.440 -0.893) 5.487 41.913 ( -1.751 0.918 0.308) 2.001 43.052 ( -6.305 -1.278 -24.961) 25.776 43.144 ( -19.972 0.554 -6.566) 21.031 44.269 ( 16.352 -1.593 11.939) 20.309 44.884 ( 12.283 -6.847 -3.068) 14.393 ======================= Grid point 115 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -22.514 -10.211 3.284) 24.938 1.629 ( -22.918 9.005 -0.797) 24.636 2.484 ( -6.665 9.077 -1.353) 11.342 2.628 ( 6.532 11.279 -1.658) 13.139 2.806 ( -13.115 -8.025 0.579) 15.386 3.133 ( -5.487 3.207 -5.764) 8.580 3.233 ( -5.867 1.084 0.253) 5.971 3.299 ( 3.773 -2.236 -20.703) 21.163 3.570 ( 5.845 -4.375 -1.967) 7.561 3.660 ( -1.296 3.456 -1.876) 4.141 3.923 ( 1.216 -5.261 4.011) 6.727 4.066 ( 3.445 -2.944 -0.200) 4.536 4.181 ( -5.640 -0.989 6.938) 8.996 4.471 ( -0.225 -1.034 3.177) 3.348 4.533 ( -0.195 -4.000 6.638) 7.752 4.929 ( 0.561 -1.445 1.215) 1.970 5.281 ( -9.142 9.013 -4.209) 13.510 5.572 ( -0.351 8.178 -6.585) 10.505 5.703 ( -5.454 7.697 4.250) 10.347 5.853 ( -3.386 7.385 -0.159) 8.126 6.153 ( -2.842 -9.476 4.852) 11.019 6.376 ( -4.750 5.963 9.595) 12.255 6.589 ( -9.192 -5.028 4.668) 11.470 6.625 ( 4.446 -2.219 -12.498) 13.449 6.728 ( 0.071 -5.498 -2.534) 6.054 6.926 ( -8.109 -13.789 0.498) 16.005 7.178 ( -8.091 -0.666 -5.290) 9.690 7.208 ( -0.544 -10.102 2.967) 10.542 7.644 ( -1.926 -3.995 7.420) 8.645 7.711 ( 0.183 -1.830 6.071) 6.344 7.864 ( 3.340 9.594 -6.507) 12.064 8.178 ( -6.077 1.251 1.208) 6.321 8.643 ( -5.189 7.604 5.045) 10.498 8.711 ( 3.831 1.949 -3.518) 5.554 8.884 ( -3.346 -5.840 -4.603) 8.154 8.952 ( -7.944 -4.260 -1.606) 9.156 9.253 ( 8.928 2.691 8.454) 12.586 9.346 ( 1.668 -0.154 4.858) 5.139 9.626 ( 6.434 -5.287 0.072) 8.328 10.038 ( 2.009 3.040 -8.128) 8.907 10.514 ( -1.412 -3.965 -4.653) 6.274 10.668 ( 6.864 1.855 0.695) 7.145 11.108 ( 10.925 2.508 -1.040) 11.257 11.205 ( 10.178 -3.628 0.447) 10.814 11.528 ( -4.094 8.788 -4.323) 10.615 11.819 ( 8.849 1.624 -0.429) 9.007 12.030 ( -1.929 6.467 10.422) 12.416 12.081 ( -12.709 12.404 0.865) 17.780 12.745 ( 1.356 -1.024 -0.591) 1.799 13.119 ( 7.131 5.492 -0.887) 9.044 13.507 ( -8.084 -10.397 3.758) 13.696 13.916 ( -5.437 -12.719 0.622) 13.847 14.508 ( 1.566 6.156 -0.598) 6.380 14.805 ( 1.280 3.590 -1.343) 4.041 15.274 ( 3.313 1.021 2.325) 4.174 15.453 ( 1.183 -0.434 -1.112) 1.681 15.744 ( 4.274 0.839 -3.714) 5.724 15.971 ( 5.499 3.026 -9.566) 11.441 16.765 ( 0.891 0.092 3.448) 3.563 17.125 ( 6.792 0.909 -4.572) 8.238 18.247 ( -2.003 -3.704 3.873) 5.721 18.415 ( -2.060 0.957 5.030) 5.519 19.127 ( -0.808 0.538 -0.811) 1.265 19.238 ( -5.441 -1.198 -2.677) 6.182 19.412 ( 3.581 3.438 -0.668) 5.009 19.580 ( 1.464 -2.380 0.067) 2.795 19.672 ( -0.585 -0.100 0.558) 0.815 19.963 ( 0.355 -8.141 -1.611) 8.306 20.210 ( 12.208 -7.974 1.315) 14.641 20.460 ( -0.107 0.619 4.908) 4.948 20.503 ( -0.533 3.708 1.731) 4.126 20.656 ( -0.480 0.845 0.701) 1.198 20.919 ( -0.629 0.128 -2.836) 2.908 21.007 ( -1.962 -0.982 2.266) 3.154 21.130 ( -4.903 5.149 0.059) 7.110 21.362 ( 0.683 1.157 -2.978) 3.267 21.540 ( -1.035 -1.241 -0.842) 1.822 21.764 ( -6.456 -5.423 -6.280) 10.513 21.859 ( 7.404 -3.079 -1.319) 8.126 22.169 ( 0.197 0.521 1.813) 1.896 22.963 ( -4.342 3.212 6.444) 8.408 23.049 ( -7.558 0.317 1.492) 7.710 23.519 ( 0.696 1.217 0.341) 1.443 23.942 ( 1.713 4.196 -4.421) 6.331 26.957 ( -7.349 -3.273 0.771) 8.082 27.076 ( -8.710 -1.611 0.964) 8.910 27.783 ( 6.396 1.088 2.534) 6.965 28.112 ( 3.469 2.441 0.292) 4.252 31.801 ( 0.933 0.939 -1.161) 1.761 31.873 ( 2.146 1.292 -0.057) 2.505 31.924 ( 0.907 -1.150 -0.849) 1.693 32.003 ( 1.290 -0.300 1.009) 1.665 35.743 ( -5.240 3.002 0.457) 6.056 35.994 ( -1.748 -2.348 3.072) 4.243 36.227 ( -13.377 7.778 -3.862) 15.949 37.850 ( 8.500 8.367 4.966) 12.920 39.052 ( -0.384 2.516 -0.257) 2.558 39.318 ( -1.548 -3.568 -6.299) 7.403 39.747 ( 4.397 0.062 4.208) 6.087 40.148 ( 3.820 -5.916 -5.563) 8.975 41.475 ( -3.121 0.159 10.740) 11.185 41.559 ( -0.062 -1.509 1.656) 2.241 41.778 ( -0.693 2.190 3.901) 4.527 41.885 ( -0.979 1.175 2.893) 3.272 42.821 ( -9.821 -8.110 -30.723) 33.258 42.901 ( -14.607 -4.757 -0.248) 15.364 44.553 ( 14.079 1.487 12.200) 18.689 45.044 ( 5.962 -6.082 -9.001) 12.391 ======================= Grid point 122 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -21.746 0.000 -3.203) 21.980 1.989 ( -27.038 0.000 -5.320) 27.556 2.462 ( -17.159 0.000 -1.340) 17.211 2.736 ( 7.856 -0.000 -1.893) 8.080 2.751 ( -11.155 0.000 -6.212) 12.768 3.113 ( 5.006 -0.000 -5.278) 7.274 3.248 ( -5.149 0.000 -1.034) 5.252 3.334 ( -4.431 0.000 -18.064) 18.599 3.425 ( 9.545 -0.000 0.150) 9.546 3.768 ( -0.904 0.000 12.306) 12.339 3.900 ( 11.114 -0.000 -3.709) 11.716 4.008 ( -11.998 0.000 -2.008) 12.165 4.151 ( -8.207 0.000 12.832) 15.232 4.462 ( -8.939 0.000 -6.674) 11.155 4.492 ( 4.199 -0.000 17.169) 17.675 4.879 ( -1.328 0.000 1.885) 2.306 5.434 ( -15.262 0.000 -9.275) 17.859 5.756 ( -3.908 0.000 -3.974) 5.574 5.802 ( -1.347 0.000 11.783) 11.860 5.982 ( -3.459 0.000 3.722) 5.081 5.992 ( -7.980 0.000 -9.140) 12.134 6.326 ( -5.578 0.000 -12.151) 13.370 6.504 ( -3.345 0.000 4.299) 5.447 6.620 ( -1.451 0.000 3.819) 4.086 6.663 ( -19.501 0.000 7.911) 21.045 6.864 ( 6.593 -0.000 -0.799) 6.641 6.941 ( 3.141 -0.000 3.968) 5.060 7.179 ( -10.189 0.000 -5.690) 11.670 7.591 ( -4.018 0.000 2.340) 4.650 7.669 ( 2.136 -0.000 7.372) 7.675 8.004 ( 1.570 -0.000 -0.732) 1.732 8.200 ( -3.834 0.000 -2.242) 4.442 8.701 ( 5.105 -0.000 -1.711) 5.384 8.733 ( -4.656 0.000 6.378) 7.897 8.839 ( -12.743 0.000 -14.064) 18.979 8.871 ( -5.269 0.000 5.387) 7.535 9.299 ( 9.406 -0.000 6.556) 11.466 9.381 ( 8.569 -0.000 1.387) 8.680 9.526 ( 3.610 -0.000 7.213) 8.066 10.112 ( 1.931 -0.000 -9.762) 9.951 10.415 ( 1.872 -0.000 -8.480) 8.684 10.699 ( 1.856 -0.000 4.356) 4.735 11.138 ( 7.394 -0.000 4.107) 8.458 11.175 ( 8.361 -0.000 -3.153) 8.936 11.663 ( -0.150 0.000 -7.769) 7.770 11.884 ( 16.452 -0.000 2.001) 16.574 12.098 ( 7.889 -0.000 8.978) 11.952 12.289 ( -17.063 0.000 0.454) 17.069 12.713 ( 7.370 -0.000 2.415) 7.755 13.289 ( -8.055 0.000 7.540) 11.034 13.307 ( -0.533 0.000 -12.672) 12.684 13.659 ( -11.623 0.000 9.298) 14.884 14.624 ( -1.534 0.000 -0.878) 1.767 14.826 ( 4.042 -0.000 -4.156) 5.798 15.284 ( 5.015 -0.000 4.427) 6.689 15.447 ( 2.965 -0.000 -2.022) 3.589 15.749 ( 2.279 -0.000 -4.829) 5.340 16.011 ( 4.747 -0.000 -8.254) 9.522 16.771 ( 1.434 -0.000 5.798) 5.973 17.139 ( 8.197 -0.000 -6.130) 10.236 18.215 ( 3.558 -0.000 3.123) 4.734 18.440 ( 3.034 -0.000 2.681) 4.049 19.140 ( -1.485 0.000 -0.333) 1.522 19.229 ( -4.885 0.000 -2.853) 5.657 19.455 ( 3.311 -0.000 -3.461) 4.790 19.573 ( 2.242 -0.000 1.039) 2.471 19.644 ( 4.128 -0.000 -1.456) 4.377 19.848 ( -7.590 0.000 -0.221) 7.593 20.082 ( 11.325 -0.000 1.715) 11.454 20.450 ( 0.293 -0.000 4.940) 4.949 20.568 ( -0.433 0.000 2.588) 2.624 20.645 ( 1.852 -0.000 0.176) 1.860 20.944 ( -3.518 0.000 -2.345) 4.228 20.979 ( -0.214 0.000 0.273) 0.347 21.250 ( -1.501 0.000 -1.472) 2.103 21.366 ( 1.121 -0.000 -3.899) 4.057 21.524 ( -3.480 0.000 2.488) 4.278 21.652 ( -8.352 0.000 -5.516) 10.009 21.824 ( 6.718 -0.000 -0.857) 6.772 22.156 ( 2.764 -0.000 8.047) 8.508 23.013 ( -6.330 0.000 8.418) 10.533 23.049 ( -12.292 0.000 0.848) 12.322 23.539 ( -0.560 0.000 -1.292) 1.408 24.005 ( 2.707 -0.000 -6.036) 6.615 26.909 ( -8.734 0.000 0.332) 8.740 27.062 ( -10.405 0.000 0.050) 10.405 27.794 ( 6.445 -0.000 1.668) 6.657 28.143 ( 3.545 -0.000 0.693) 3.613 31.831 ( 2.650 -0.000 1.386) 2.990 31.868 ( 0.472 -0.000 -2.821) 2.861 31.922 ( 2.892 -0.000 -0.296) 2.907 31.997 ( 2.513 -0.000 1.500) 2.927 35.793 ( -6.645 0.000 -0.503) 6.664 35.964 ( -5.177 0.000 6.005) 7.929 36.358 ( -15.087 0.000 -6.908) 16.593 37.979 ( 8.198 -0.000 11.952) 14.493 39.110 ( -1.740 0.000 -0.738) 1.890 39.242 ( 1.562 -0.000 -6.787) 6.965 39.728 ( 3.336 -0.000 0.467) 3.369 40.050 ( 4.752 -0.000 -3.702) 6.024 41.475 ( -0.496 0.000 20.324) 20.330 41.535 ( -0.041 0.000 -2.221) 2.221 41.820 ( -3.722 0.000 1.102) 3.882 41.897 ( -1.226 0.000 -1.137) 1.673 42.711 ( -8.607 0.000 -37.170) 38.154 42.838 ( -21.289 0.000 -4.953) 21.858 44.568 ( 16.873 -0.000 13.138) 21.385 44.949 ( 9.476 -0.000 -7.112) 11.848 ======================= Grid point 123 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -23.981 -9.950 20.909) 33.336 1.403 ( -35.667 16.291 -2.390) 39.284 2.202 ( -34.798 -23.465 -11.330) 43.472 2.556 ( -5.547 13.769 0.593) 14.856 2.825 ( 5.837 0.382 0.981) 5.931 3.015 ( -6.536 0.659 -8.171) 10.484 3.196 ( -4.810 1.174 4.139) 6.453 3.330 ( 11.768 2.044 -3.841) 12.546 3.532 ( 5.009 -8.204 -7.476) 12.177 3.710 ( -4.361 11.597 -2.548) 12.649 3.897 ( -6.620 -4.865 9.189) 12.326 4.062 ( 1.109 -1.829 0.882) 2.313 4.135 ( -1.944 -2.233 3.619) 4.676 4.329 ( -5.012 -5.718 -5.631) 9.461 4.656 ( 3.901 -2.432 3.695) 5.898 4.913 ( -0.516 -2.792 11.593) 11.936 5.215 ( -9.084 3.195 -2.325) 9.906 5.574 ( 1.272 6.170 -18.094) 19.159 5.791 ( -2.880 8.868 6.366) 11.289 5.880 ( -2.240 2.481 -4.768) 5.823 6.021 ( -2.831 -8.975 3.835) 10.162 6.205 ( -12.851 -9.899 -13.407) 21.045 6.478 ( -6.104 2.818 9.352) 11.518 6.549 ( -8.504 -2.706 2.611) 9.299 6.609 ( -1.158 -1.363 -2.287) 2.903 6.876 ( 0.445 1.169 -1.644) 2.066 7.039 ( -1.023 -1.224 -6.715) 6.902 7.116 ( 2.872 -8.838 5.205) 10.651 7.631 ( 0.048 -3.925 8.541) 9.400 7.778 ( -0.045 1.274 9.140) 9.228 7.970 ( 4.513 4.507 -2.100) 6.715 8.136 ( -4.107 1.160 -0.150) 4.270 8.593 ( -11.902 -1.959 -10.587) 16.049 8.704 ( -3.327 1.959 5.272) 6.535 8.766 ( 2.051 -2.870 -1.411) 3.799 8.855 ( -6.859 -3.608 5.615) 9.570 9.411 ( 3.762 5.228 4.618) 7.925 9.500 ( 8.813 1.881 7.886) 11.975 9.681 ( 7.632 -3.997 7.415) 11.367 10.018 ( -1.438 2.368 -7.734) 8.215 10.430 ( 2.164 -4.160 -3.869) 6.079 10.748 ( 2.699 0.179 -1.198) 2.958 11.226 ( 7.171 -1.771 -7.612) 10.607 11.275 ( 8.662 -1.133 3.311) 9.342 11.556 ( -4.108 6.630 -2.689) 8.250 11.934 ( -8.711 12.322 -2.813) 15.350 12.079 ( 1.988 1.604 2.530) 3.595 12.262 ( 9.705 8.447 8.470) 15.404 12.764 ( 2.865 2.058 -5.924) 6.895 13.254 ( 8.384 1.499 -1.590) 8.664 13.343 ( -3.257 -7.803 5.069) 9.858 13.668 ( -9.095 -13.018 5.389) 16.770 14.527 ( -4.119 2.602 -10.268) 11.365 14.823 ( 2.132 1.536 -6.109) 6.650 15.350 ( 1.953 1.972 3.721) 4.642 15.457 ( 1.818 0.803 -3.310) 3.861 15.722 ( -0.598 -2.193 -6.223) 6.625 15.977 ( 3.350 0.451 -11.628) 12.109 16.842 ( 1.551 2.022 11.791) 12.063 17.147 ( 2.973 0.116 -8.172) 8.696 18.350 ( 10.493 3.219 9.112) 14.265 18.534 ( 6.258 4.357 11.331) 13.658 19.123 ( -0.203 0.179 -0.301) 0.405 19.144 ( -5.217 0.002 -2.689) 5.869 19.450 ( 0.695 -0.019 -3.167) 3.242 19.599 ( 2.720 1.022 1.014) 3.078 19.669 ( -0.998 1.117 0.167) 1.507 19.842 ( -0.178 -9.905 -1.193) 9.978 20.260 ( 9.296 -6.105 -0.068) 11.121 20.501 ( 0.644 0.384 6.515) 6.558 20.575 ( 0.795 2.258 4.340) 4.957 20.662 ( -0.400 0.471 0.684) 0.922 20.883 ( -1.934 0.177 -2.738) 3.356 20.969 ( -2.620 -1.634 -0.449) 3.120 21.114 ( -9.681 5.706 -1.812) 11.383 21.338 ( -1.524 -0.409 -6.123) 6.323 21.502 ( -3.007 -1.994 0.849) 3.707 21.580 ( -3.333 -2.721 -2.826) 5.148 21.910 ( 6.457 -1.446 -1.280) 6.740 22.253 ( 2.462 6.288 9.638) 11.769 22.939 ( -4.431 -5.403 1.762) 7.207 22.991 ( -6.987 1.562 8.069) 10.788 23.535 ( 0.630 -0.174 0.615) 0.897 23.928 ( -1.329 2.503 -14.378) 14.655 26.835 ( -6.897 -2.844 2.143) 7.762 26.955 ( -8.701 -1.468 2.109) 9.072 27.890 ( 6.940 -0.306 1.540) 7.115 28.162 ( 1.550 1.171 -1.987) 2.779 31.833 ( 1.332 2.455 -1.159) 3.024 31.896 ( 1.967 -1.511 0.677) 2.571 31.951 ( 2.992 1.057 0.204) 3.180 32.023 ( 0.569 0.850 0.692) 1.235 35.708 ( -4.850 1.368 0.465) 5.061 35.923 ( -8.936 -2.173 2.873) 9.635 36.145 ( -6.459 4.548 -3.057) 8.470 38.039 ( 6.924 6.017 -14.975) 17.561 39.079 ( 0.150 1.546 -0.362) 1.595 39.224 ( 0.876 -1.950 -6.984) 7.304 39.794 ( 2.394 -3.340 1.488) 4.371 40.094 ( 2.417 -2.646 -3.006) 4.678 41.507 ( -1.477 2.507 -0.578) 2.967 41.649 ( 0.287 3.845 22.564) 22.891 41.813 ( -0.647 -0.885 7.403) 7.484 41.891 ( 0.637 -3.837 3.847) 5.470 42.348 ( -13.433 -6.547 -32.407) 35.687 42.620 ( -16.088 -8.216 4.460) 18.607 44.851 ( 15.056 1.852 11.458) 19.010 44.991 ( 4.811 -2.086 -11.454) 12.597 ======================= Grid point 131 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -21.110 0.000 53.170) 57.207 1.117 ( -39.872 0.000 6.054) 40.329 1.337 ( -49.456 0.000 -4.189) 49.633 2.676 ( -0.576 0.000 1.960) 2.043 2.762 ( -6.738 0.000 1.293) 6.861 2.905 ( -5.108 0.000 -3.359) 6.113 3.199 ( -3.749 0.000 5.203) 6.413 3.427 ( 2.494 -0.000 -12.257) 12.508 3.506 ( 12.920 -0.000 -0.851) 12.948 3.719 ( -9.118 0.000 3.096) 9.629 3.767 ( -7.007 0.000 1.636) 7.195 4.033 ( -8.322 0.000 5.867) 10.182 4.128 ( -7.198 0.000 -7.356) 10.292 4.250 ( 14.118 -0.000 -2.971) 14.428 4.604 ( 0.034 -0.000 -7.484) 7.484 5.020 ( -3.868 0.000 14.476) 14.984 5.137 ( -2.170 0.000 -1.698) 2.755 5.516 ( 4.625 -0.000 -14.104) 14.843 5.763 ( 0.072 -0.000 -20.667) 20.667 5.904 ( -3.459 0.000 6.952) 7.765 5.940 ( -3.733 0.000 -0.928) 3.846 5.952 ( -1.916 0.000 -8.392) 8.608 6.445 ( -3.925 0.000 -4.364) 5.870 6.453 ( -10.789 0.000 6.825) 12.767 6.596 ( 1.479 -0.000 1.904) 2.411 6.854 ( -5.963 0.000 4.527) 7.487 7.050 ( 8.671 -0.000 -7.279) 11.321 7.148 ( 3.846 -0.000 6.637) 7.671 7.682 ( 1.956 -0.000 8.860) 9.073 7.802 ( -6.534 0.000 2.126) 6.872 8.077 ( 6.085 -0.000 5.823) 8.423 8.095 ( -3.105 0.000 -1.452) 3.428 8.361 ( -6.149 0.000 -12.099) 13.572 8.713 ( -11.351 0.000 14.063) 18.073 8.752 ( -3.272 0.000 -0.576) 3.323 8.756 ( -1.049 0.000 -0.300) 1.091 9.546 ( 3.356 -0.000 0.055) 3.356 9.655 ( 8.142 -0.000 7.560) 11.111 9.842 ( 8.572 -0.000 13.825) 16.267 9.959 ( -1.905 0.000 -4.306) 4.708 10.426 ( 4.527 -0.000 -1.682) 4.830 10.698 ( -5.211 0.000 -12.406) 13.456 11.203 ( 2.623 -0.000 -6.202) 6.734 11.414 ( 11.480 -0.000 0.638) 11.498 11.531 ( -5.483 0.000 1.117) 5.596 11.884 ( -11.262 0.000 0.049) 11.262 12.126 ( 3.908 -0.000 -4.034) 5.617 12.524 ( 9.759 -0.000 4.063) 10.571 12.764 ( 5.407 -0.000 -10.542) 11.848 13.226 ( -4.732 0.000 2.631) 5.414 13.430 ( 12.993 -0.000 -0.324) 12.997 13.504 ( -9.370 0.000 8.054) 12.356 14.288 ( -15.331 0.000 -24.168) 28.620 14.813 ( 3.195 -0.000 -9.054) 9.602 15.401 ( -0.868 0.000 2.682) 2.819 15.477 ( 2.930 -0.000 -0.919) 3.071 15.627 ( -1.796 0.000 -7.279) 7.497 15.906 ( 2.102 -0.000 -14.626) 14.776 17.062 ( 9.707 -0.000 26.533) 28.253 17.112 ( 1.264 -0.000 -6.278) 6.404 18.629 ( 12.363 -0.000 14.648) 19.168 18.802 ( 11.174 -0.000 19.228) 22.239 19.065 ( -4.562 0.000 -2.407) 5.158 19.117 ( -0.147 0.000 -0.462) 0.485 19.416 ( -0.484 0.000 -3.875) 3.905 19.650 ( 1.351 -0.000 0.502) 1.441 19.700 ( 1.788 -0.000 -2.716) 3.252 19.707 ( -2.829 0.000 0.815) 2.944 20.306 ( 5.176 -0.000 -0.720) 5.226 20.588 ( 3.206 -0.000 8.294) 8.892 20.626 ( -0.686 0.000 6.199) 6.237 20.671 ( -0.357 0.000 1.856) 1.890 20.847 ( -1.320 0.000 -1.104) 1.721 20.900 ( -3.967 0.000 -3.426) 5.242 20.954 ( -15.094 0.000 -3.548) 15.506 21.247 ( -4.627 0.000 -7.549) 8.854 21.469 ( -0.059 0.000 0.416) 0.420 21.558 ( -0.649 0.000 1.439) 1.579 21.963 ( 5.502 -0.000 -2.925) 6.231 22.590 ( 18.866 -0.000 18.589) 26.485 22.794 ( -5.956 0.000 -0.636) 5.990 22.968 ( -8.002 0.000 7.865) 11.220 23.552 ( 1.693 -0.000 2.096) 2.694 23.710 ( -11.224 0.000 -30.665) 32.655 26.766 ( -4.948 0.000 6.429) 8.113 26.870 ( -6.540 0.000 4.889) 8.165 27.970 ( 6.317 -0.000 -0.606) 6.346 28.151 ( -0.352 0.000 -4.738) 4.751 31.851 ( 0.780 -0.000 -1.312) 1.526 31.934 ( 2.605 -0.000 2.360) 3.515 31.987 ( 2.002 -0.000 0.071) 2.003 32.050 ( 1.052 -0.000 0.443) 1.141 35.665 ( -3.744 0.000 0.276) 3.754 35.794 ( -9.383 0.000 0.333) 9.389 36.120 ( -2.102 0.000 0.234) 2.115 37.662 ( -20.571 0.000 -91.791) 94.068 39.082 ( 0.186 -0.000 -0.672) 0.697 39.227 ( 3.660 -0.000 3.224) 4.878 39.789 ( 0.476 -0.000 1.842) 1.902 40.097 ( 1.447 -0.000 -0.762) 1.636 41.517 ( 1.703 -0.000 -2.628) 3.132 41.679 ( -10.264 0.000 -24.077) 26.173 41.759 ( -3.657 0.000 2.315) 4.328 41.999 ( -12.539 0.000 4.702) 13.392 42.094 ( 5.277 -0.000 12.065) 13.169 42.709 ( 17.211 -0.000 102.325) 103.762 44.916 ( 4.278 -0.000 -19.606) 20.068 45.130 ( 9.746 -0.000 15.925) 18.670 ======================= Grid point 132 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 2.705 -0.000 23.606) 23.761 1.212 ( 0.870 -0.000 22.188) 22.205 2.563 ( 0.060 -0.000 11.267) 11.267 2.635 ( 3.173 -0.000 -0.085) 3.174 2.877 ( -5.972 0.000 9.324) 11.072 2.927 ( 5.313 -0.000 10.946) 12.168 3.020 ( 0.426 -0.000 -14.663) 14.669 3.382 ( 1.002 -0.000 -10.658) 10.705 3.425 ( 6.961 -0.000 -4.184) 8.121 3.523 ( -4.434 0.000 24.660) 25.055 3.801 ( -9.263 0.000 -6.782) 11.481 3.890 ( -1.974 0.000 -20.886) 20.979 3.901 ( 10.722 -0.000 -2.832) 11.089 4.096 ( 6.388 -0.000 9.411) 11.374 4.310 ( -7.249 0.000 -9.361) 11.840 4.722 ( -8.319 0.000 2.683) 8.741 5.124 ( 8.367 -0.000 -12.096) 14.708 5.375 ( -0.394 0.000 -2.028) 2.066 5.565 ( -1.998 0.000 -5.645) 5.988 5.680 ( 1.433 -0.000 -2.772) 3.121 5.692 ( -0.562 0.000 9.071) 9.088 6.080 ( -7.548 0.000 19.466) 20.878 6.466 ( -0.838 0.000 4.569) 4.645 6.554 ( 2.816 -0.000 3.129) 4.210 6.810 ( 6.840 -0.000 -13.893) 15.486 6.875 ( 6.310 -0.000 -14.024) 15.378 7.103 ( 5.110 -0.000 2.585) 5.727 7.221 ( -0.924 0.000 7.422) 7.480 7.558 ( -0.683 0.000 -4.037) 4.095 7.718 ( -2.670 0.000 -10.545) 10.878 7.917 ( -10.652 0.000 9.350) 14.174 8.095 ( 0.540 -0.000 -2.478) 2.536 8.251 ( 9.675 -0.000 -4.272) 10.576 8.398 ( -8.753 0.000 -4.945) 10.053 9.006 ( 6.272 -0.000 17.220) 18.327 9.129 ( -6.557 0.000 13.545) 15.048 9.481 ( -11.974 0.000 7.626) 14.196 9.653 ( 6.138 -0.000 0.187) 6.141 9.715 ( -12.271 0.000 -2.834) 12.594 9.904 ( 5.713 -0.000 -8.274) 10.054 10.772 ( 0.800 -0.000 19.564) 19.581 10.998 ( 0.418 -0.000 11.997) 12.004 11.272 ( 7.967 -0.000 2.661) 8.400 11.395 ( 7.380 -0.000 1.810) 7.599 11.481 ( -1.417 0.000 -6.105) 6.267 11.559 ( 2.287 -0.000 -3.534) 4.209 11.770 ( -0.462 0.000 -17.126) 17.132 11.960 ( -7.301 0.000 -27.728) 28.673 12.890 ( 15.213 -0.000 3.036) 15.513 12.991 ( -13.333 0.000 -1.580) 13.426 13.486 ( -9.991 0.000 3.413) 10.558 13.589 ( -1.118 0.000 -2.106) 2.384 14.361 ( 1.934 -0.000 5.175) 5.524 14.653 ( 11.599 -0.000 -9.091) 14.737 15.296 ( -4.840 0.000 -1.728) 5.140 15.466 ( 5.546 -0.000 -7.395) 9.244 15.521 ( 6.828 -0.000 -7.861) 10.413 15.524 ( 2.126 -0.000 -3.604) 4.185 17.182 ( 3.193 -0.000 5.055) 5.979 17.444 ( -8.286 0.000 -5.831) 10.132 18.951 ( -2.013 0.000 1.994) 2.833 19.051 ( -0.546 0.000 -2.531) 2.589 19.437 ( -1.141 0.000 12.184) 12.238 19.481 ( 4.673 -0.000 2.021) 5.092 19.571 ( -3.394 0.000 0.019) 3.394 19.593 ( -1.408 0.000 -0.890) 1.666 19.851 ( -3.584 0.000 17.116) 17.487 20.030 ( 1.126 -0.000 25.355) 25.380 20.380 ( 3.995 -0.000 0.776) 4.070 20.451 ( -6.174 0.000 -2.009) 6.493 20.477 ( -4.291 0.000 -6.942) 8.161 20.650 ( -3.407 0.000 -6.044) 6.938 20.723 ( 1.570 -0.000 1.165) 1.955 20.970 ( 8.126 -0.000 -5.863) 10.020 21.019 ( 4.256 -0.000 3.629) 5.593 21.023 ( -3.756 0.000 3.011) 4.814 21.517 ( 1.730 -0.000 1.757) 2.466 21.656 ( -2.465 0.000 6.911) 7.337 21.680 ( -2.538 0.000 -7.007) 7.453 22.011 ( -4.429 0.000 -5.132) 6.779 22.775 ( -0.826 0.000 5.600) 5.661 22.982 ( -9.113 0.000 6.841) 11.395 23.223 ( 4.628 -0.000 -12.869) 13.676 23.607 ( 14.508 -0.000 -23.943) 27.995 27.083 ( -2.556 0.000 15.188) 15.401 27.343 ( -3.777 0.000 17.276) 17.684 27.732 ( -1.399 0.000 -13.974) 14.043 27.955 ( 4.409 -0.000 -10.405) 11.300 31.897 ( 2.041 -0.000 1.360) 2.452 31.948 ( -1.695 0.000 -0.815) 1.880 31.983 ( -1.265 0.000 0.411) 1.330 32.004 ( 0.023 -0.000 -0.437) 0.437 35.622 ( -0.536 0.000 0.355) 0.643 35.649 ( -0.000 0.000 -0.871) 0.871 36.131 ( -1.600 0.000 1.410) 2.132 36.179 ( 12.501 -0.000 -0.751) 12.524 39.112 ( 1.164 -0.000 1.545) 1.935 39.245 ( -0.503 0.000 -4.599) 4.627 39.892 ( -1.384 0.000 4.274) 4.493 40.054 ( 2.090 -0.000 -2.907) 3.581 41.398 ( -5.426 0.000 3.659) 6.545 41.527 ( 5.043 -0.000 -1.980) 5.418 41.710 ( -4.151 0.000 1.593) 4.447 41.830 ( -0.495 0.000 -3.091) 3.130 42.691 ( 4.969 -0.000 28.008) 28.445 44.014 ( -1.508 0.000 -31.805) 31.841 45.725 ( 0.227 -0.000 9.564) 9.567 45.990 ( 0.526 -0.000 -3.855) 3.891 ======================= Grid point 133 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 6.328 -11.024 16.473) 20.808 1.797 ( 26.879 -31.119 15.085) 43.800 2.539 ( -2.696 15.360 2.902) 15.862 2.598 ( 4.269 2.649 0.378) 5.038 2.901 ( 1.805 -3.850 -15.012) 15.602 2.968 ( 5.289 3.588 -0.382) 6.402 3.096 ( -4.577 -10.009 2.691) 11.329 3.300 ( 2.559 0.953 -0.191) 2.737 3.565 ( 4.943 -6.566 -0.203) 8.221 3.659 ( -3.390 -2.591 -3.188) 5.326 3.693 ( 1.364 -0.997 11.622) 11.745 3.746 ( 1.550 -1.207 -9.984) 10.176 3.969 ( 3.207 6.050 1.594) 7.031 4.171 ( -0.181 -4.801 -5.470) 7.280 4.305 ( 3.877 -5.244 5.599) 8.596 4.700 ( -5.479 -5.643 6.850) 10.430 5.076 ( 4.324 1.626 -22.016) 22.496 5.326 ( 0.171 -0.477 -7.493) 7.510 5.507 ( -2.822 2.283 2.399) 4.351 5.615 ( -0.831 4.169 -0.055) 4.252 5.874 ( 1.344 -9.935 15.235) 18.238 6.166 ( -1.727 1.200 21.386) 21.489 6.474 ( -1.718 -0.170 1.800) 2.495 6.605 ( 3.365 0.400 -0.466) 3.421 6.820 ( 10.447 -5.245 -20.724) 23.794 6.834 ( 6.943 2.329 -15.608) 17.240 7.128 ( 0.578 7.182 5.256) 8.918 7.212 ( 0.021 2.208 -0.798) 2.348 7.570 ( 2.330 -2.086 0.555) 3.176 7.668 ( 2.576 -3.593 -7.883) 9.038 7.857 ( -11.273 1.255 14.402) 18.332 8.106 ( 1.703 -1.018 -2.273) 3.017 8.288 ( -7.755 -5.599 -1.975) 9.766 8.443 ( 9.370 -12.641 -5.053) 16.526 9.114 ( -2.072 2.832 9.106) 9.759 9.240 ( 3.184 -0.826 14.629) 14.994 9.408 ( -6.811 -0.049 3.791) 7.795 9.505 ( -4.418 9.000 3.767) 10.711 9.779 ( 1.403 -3.886 0.273) 4.140 9.909 ( 7.495 1.740 -7.736) 10.912 10.798 ( -8.423 7.012 6.788) 12.892 10.965 ( -3.363 6.309 12.177) 14.120 11.320 ( 8.667 11.571 0.716) 14.474 11.361 ( -9.857 -6.252 -6.011) 13.129 11.478 ( 10.463 16.226 -8.502) 21.096 11.587 ( -5.870 -11.071 -2.653) 12.809 11.821 ( 5.290 -13.550 -12.608) 19.250 11.893 ( 10.882 -14.910 -5.990) 19.406 12.746 ( -12.952 8.641 -2.197) 15.724 13.115 ( 9.969 -4.247 1.207) 10.903 13.358 ( -8.547 4.809 3.303) 10.349 13.592 ( -1.089 -5.049 0.855) 5.236 14.372 ( -1.445 -0.978 1.287) 2.168 14.680 ( 5.163 3.600 -9.908) 11.738 15.227 ( -3.599 0.000 -1.205) 3.796 15.479 ( 3.999 1.093 -3.665) 5.533 15.525 ( 1.221 -1.475 -5.288) 5.624 15.559 ( 8.536 0.187 -9.007) 12.410 17.189 ( -7.900 7.250 1.437) 10.819 17.246 ( -4.027 3.813 2.278) 5.995 18.944 ( -2.123 0.821 3.958) 4.566 19.035 ( 0.739 -0.109 -1.943) 2.081 19.448 ( -9.473 4.735 11.065) 15.316 19.498 ( -3.721 2.659 -0.507) 4.602 19.534 ( 2.074 0.801 1.334) 2.593 19.605 ( 1.664 -2.534 -0.173) 3.037 19.861 ( -5.430 2.629 10.990) 12.537 20.086 ( -8.579 8.945 19.673) 23.251 20.311 ( -2.057 1.840 -5.794) 6.418 20.416 ( -1.426 0.931 -2.276) 2.842 20.443 ( -2.161 -2.932 1.193) 3.833 20.646 ( 5.179 -1.849 0.174) 5.502 20.837 ( 3.912 -2.534 -0.520) 4.690 20.973 ( -2.837 -0.805 0.912) 3.087 21.081 ( 2.002 0.006 2.483) 3.190 21.135 ( 14.995 -10.784 -10.120) 21.061 21.571 ( 2.738 -0.638 1.503) 3.188 21.615 ( -0.046 1.721 -1.162) 2.077 21.695 ( -2.488 -2.858 5.535) 6.708 21.944 ( -1.406 -1.513 -4.816) 5.240 22.826 ( 0.141 -1.007 6.816) 6.892 22.963 ( -4.613 -3.629 6.052) 8.431 23.196 ( 4.465 -1.761 -12.381) 13.278 23.597 ( 11.359 1.104 -19.668) 22.740 27.186 ( -0.646 -0.608 16.248) 16.272 27.384 ( -6.136 1.619 16.888) 18.041 27.616 ( -0.599 0.357 -13.214) 13.232 27.904 ( 1.673 1.048 -12.590) 12.744 31.913 ( -2.303 0.350 -1.001) 2.536 31.934 ( 1.869 -0.085 1.345) 2.304 31.969 ( -0.933 1.205 0.719) 1.685 31.999 ( -0.570 -0.031 -0.480) 0.746 35.637 ( 0.426 -1.063 0.320) 1.189 35.694 ( 4.086 -4.621 -0.444) 6.184 36.128 ( -0.380 0.446 0.787) 0.981 36.448 ( 18.288 -14.164 -9.134) 24.870 39.133 ( -0.771 0.399 1.579) 1.801 39.215 ( -0.044 -2.441 -4.023) 4.706 39.893 ( -1.654 2.155 4.012) 4.845 40.064 ( 3.456 -0.166 -3.541) 4.950 41.383 ( -4.036 -2.870 3.437) 6.028 41.594 ( 5.586 -1.567 -1.618) 6.023 41.679 ( -3.197 -0.343 2.481) 4.061 41.818 ( 1.497 0.636 -1.348) 2.113 42.970 ( 6.313 -0.011 28.028) 28.730 43.744 ( -1.768 2.222 -32.694) 32.818 45.539 ( -20.516 23.179 10.329) 32.633 45.806 ( -11.300 3.968 0.563) 11.990 ======================= Grid point 134 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 5.476 -12.690 9.974) 17.044 2.270 ( -3.571 12.665 -2.959) 13.487 2.414 ( 1.793 0.248 12.276) 12.409 2.605 ( 5.407 -3.274 -9.787) 11.651 2.848 ( -3.473 -4.364 -14.673) 15.698 2.957 ( 6.358 4.086 -7.748) 10.824 3.098 ( -3.968 2.388 13.922) 14.672 3.345 ( -4.320 -6.337 -6.720) 10.197 3.612 ( 2.150 -2.874 -5.002) 6.157 3.706 ( -2.577 -6.844 2.046) 7.594 3.755 ( 2.562 1.105 0.993) 2.962 3.900 ( 12.732 -6.192 3.558) 14.598 4.005 ( 6.501 -1.529 13.943) 15.460 4.287 ( 5.098 -10.709 -2.462) 12.114 4.425 ( 2.185 -1.691 2.433) 3.681 4.810 ( 6.076 -8.455 -8.467) 13.420 4.930 ( -0.433 2.760 -7.117) 7.645 5.326 ( -1.764 -9.801 -7.984) 12.764 5.447 ( -0.609 3.965 -0.838) 4.098 5.588 ( -0.457 1.733 3.994) 4.378 6.167 ( 5.922 -10.860 14.323) 18.925 6.307 ( 2.585 -0.059 17.917) 18.102 6.458 ( -1.840 -0.403 -0.063) 1.884 6.617 ( 2.456 0.657 -3.101) 4.010 6.766 ( 7.988 4.482 -15.759) 18.227 6.937 ( 14.565 -9.601 -17.557) 24.750 7.075 ( 0.547 3.763 0.032) 3.802 7.202 ( 2.821 0.471 -0.608) 2.924 7.634 ( 2.120 -2.145 2.131) 3.693 7.729 ( 3.165 -2.236 0.352) 3.891 7.822 ( -8.642 0.834 15.298) 17.590 8.121 ( -0.260 -2.258 -1.777) 2.885 8.308 ( -6.318 -11.463 0.623) 13.103 8.650 ( 4.084 -10.818 -5.462) 12.788 9.045 ( -7.962 3.965 -3.025) 9.395 9.223 ( 2.530 9.489 2.082) 10.039 9.403 ( -3.845 4.086 8.055) 9.817 9.494 ( 2.035 1.465 10.538) 10.833 9.772 ( -1.700 4.258 2.609) 5.275 9.953 ( 9.390 2.776 -3.044) 10.254 10.643 ( -6.143 1.620 -3.442) 7.226 10.889 ( -4.970 7.066 3.125) 9.187 11.244 ( 14.085 16.991 -4.732) 22.571 11.301 ( -11.852 -9.294 -5.465) 16.022 11.389 ( 8.402 10.730 0.922) 13.660 11.569 ( -14.123 -15.896 -8.469) 22.888 12.023 ( 6.706 -2.360 5.267) 8.848 12.135 ( -2.769 -5.758 3.741) 7.404 12.509 ( -0.783 -0.767 -7.186) 7.269 13.063 ( -10.832 9.496 6.944) 15.992 13.449 ( 12.478 -9.877 -0.911) 15.940 13.706 ( 5.121 -6.154 2.422) 8.365 14.389 ( -4.558 -7.101 -0.706) 8.467 14.579 ( 3.276 7.025 -9.257) 12.074 15.197 ( -1.644 -1.143 0.079) 2.004 15.475 ( -0.199 0.476 -2.111) 2.174 15.524 ( 2.530 -1.129 -5.031) 5.743 15.598 ( 8.275 0.040 -8.986) 12.216 16.968 ( -8.670 6.606 0.058) 10.900 17.208 ( -1.565 4.353 3.643) 5.888 18.916 ( -4.853 3.510 6.306) 8.697 19.046 ( 1.490 -0.276 -0.288) 1.542 19.266 ( -16.381 7.541 6.764) 19.260 19.397 ( -3.181 7.825 3.281) 9.062 19.520 ( -1.186 3.661 -0.079) 3.849 19.646 ( -0.324 -1.715 0.606) 1.847 19.862 ( -3.556 4.580 4.996) 7.654 19.942 ( -2.509 2.825 0.744) 3.851 20.264 ( -2.652 -2.675 -1.457) 4.039 20.386 ( 1.242 2.195 0.443) 2.560 20.454 ( 0.328 0.804 2.319) 2.476 20.750 ( 1.617 -0.811 4.190) 4.564 20.847 ( 0.541 0.451 -1.217) 1.407 20.988 ( 0.297 -3.008 0.998) 3.183 21.113 ( 0.742 -0.022 1.848) 1.992 21.344 ( 6.116 -5.627 -9.726) 12.793 21.604 ( 2.096 1.129 -2.173) 3.224 21.631 ( 6.131 -2.573 -0.420) 6.663 21.746 ( -1.702 -3.045 3.777) 5.142 21.950 ( 0.567 -5.172 -4.422) 6.828 22.897 ( 0.886 -1.136 7.037) 7.183 23.020 ( -2.967 -4.435 5.616) 7.747 23.223 ( 7.693 -3.952 -9.155) 12.595 23.612 ( 9.056 -1.356 -11.035) 14.340 27.269 ( -3.417 2.310 10.848) 11.605 27.397 ( -5.316 2.319 12.734) 13.993 27.549 ( 2.659 -1.751 -7.183) 7.857 27.833 ( 2.403 -1.514 -10.381) 10.763 31.868 ( -2.557 0.843 -1.245) 2.966 31.930 ( -2.178 2.152 0.688) 3.138 31.960 ( 1.136 0.815 0.360) 1.444 31.991 ( -0.133 -0.265 0.287) 0.413 35.663 ( 0.855 -1.268 0.469) 1.600 35.838 ( 5.734 -7.659 -0.205) 9.569 36.119 ( 0.153 1.426 0.364) 1.480 36.810 ( 17.621 -18.036 -9.775) 27.043 39.095 ( -3.230 1.226 0.052) 3.455 39.256 ( 1.343 -4.700 -2.188) 5.355 39.848 ( -2.197 4.678 3.113) 6.034 40.100 ( 4.612 -1.289 -3.987) 6.232 41.412 ( -3.325 -5.164 3.072) 6.867 41.664 ( 0.279 0.259 3.887) 3.905 41.681 ( 2.356 -1.851 -0.677) 3.072 41.835 ( 3.204 0.679 0.916) 3.401 43.219 ( 3.725 2.384 22.626) 23.055 43.456 ( -1.417 4.230 -27.920) 28.274 45.024 ( -23.896 22.146 12.802) 35.005 45.562 ( -13.497 8.115 -5.146) 16.568 ======================= Grid point 135 (61/114) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -3.061 13.672 13.062) 19.154 2.071 ( -1.656 -9.075 -8.376) 12.460 2.331 ( -2.930 7.413 -2.966) 8.505 2.560 ( -8.556 -1.675 -15.864) 18.102 2.684 ( -6.422 4.805 3.995) 8.961 2.993 ( 9.130 0.695 -7.094) 11.582 3.096 ( -3.691 5.608 11.226) 13.080 3.277 ( -7.901 -5.677 -3.357) 10.292 3.535 ( -5.364 2.922 -5.811) 8.431 3.781 ( 4.221 -0.412 -0.082) 4.242 3.891 ( 2.237 -9.663 4.096) 10.731 4.077 ( 10.330 1.806 -2.453) 10.769 4.241 ( 2.511 -0.522 5.502) 6.070 4.430 ( 5.267 -3.679 -0.516) 6.445 4.557 ( 7.369 -10.546 5.101) 13.840 4.783 ( 6.979 5.053 -11.799) 14.610 5.065 ( 1.809 -10.030 12.410) 16.059 5.360 ( -9.714 -12.327 -7.642) 17.456 5.426 ( 4.941 -1.421 -3.669) 6.316 5.611 ( 0.301 0.515 7.134) 7.159 6.372 ( 4.539 0.055 -6.990) 8.334 6.454 ( -1.102 -1.809 11.423) 11.618 6.508 ( 6.170 -2.377 4.949) 8.259 6.648 ( 6.771 -2.145 -3.483) 7.910 6.730 ( 9.138 0.900 -7.318) 11.742 6.995 ( -0.940 1.795 -5.073) 5.463 7.179 ( 11.901 -11.696 -12.154) 20.643 7.265 ( 3.145 -2.293 0.815) 3.976 7.707 ( 1.888 0.629 8.260) 8.496 7.796 ( -5.649 3.408 7.193) 9.760 7.810 ( 1.740 -2.837 4.078) 5.264 8.134 ( -0.807 -2.280 -1.095) 2.655 8.391 ( -8.015 -12.171 5.074) 15.431 8.715 ( -0.669 -1.825 -5.491) 5.825 8.845 ( -3.420 4.839 -5.679) 8.208 9.198 ( 0.716 3.949 5.419) 6.743 9.333 ( -2.918 6.029 3.476) 7.546 9.491 ( -1.743 1.728 -2.179) 3.282 9.749 ( 2.040 7.836 9.329) 12.353 10.014 ( 9.633 4.343 -0.984) 10.612 10.534 ( -8.027 -1.419 -5.036) 9.582 10.740 ( -5.023 5.789 -0.639) 7.691 11.181 ( 7.255 12.979 -0.356) 14.873 11.244 ( -2.894 -3.647 -4.286) 6.329 11.405 ( 2.103 2.279 5.432) 6.255 11.550 ( -6.155 -12.224 -8.887) 16.318 11.981 ( -9.543 2.861 2.019) 10.166 12.091 ( -3.132 4.538 5.809) 8.009 12.690 ( 10.495 -12.926 -4.122) 17.153 12.894 ( -6.144 6.889 5.596) 10.795 13.744 ( 13.916 -8.876 -1.319) 16.558 13.826 ( -1.242 -2.987 2.835) 4.301 14.453 ( 5.695 -6.488 -4.042) 9.532 14.504 ( -0.853 0.547 -1.993) 2.236 15.211 ( -0.387 -1.949 1.706) 2.619 15.443 ( -0.897 -0.575 -3.563) 3.719 15.547 ( 2.755 -1.781 -3.040) 4.473 15.635 ( 6.523 -0.851 -7.781) 10.189 16.830 ( -4.112 2.796 0.742) 5.028 17.147 ( -2.615 3.936 1.023) 4.835 18.801 ( -9.200 9.072 5.974) 14.235 18.922 ( -18.022 12.577 6.082) 22.803 19.088 ( 1.127 -0.486 -1.983) 2.332 19.315 ( -0.710 3.054 0.483) 3.172 19.426 ( -2.933 5.511 1.015) 6.325 19.649 ( -1.947 -1.524 -1.572) 2.930 19.749 ( -1.149 5.804 2.891) 6.585 20.013 ( 3.695 -5.892 -3.640) 7.850 20.284 ( -2.009 -5.144 1.932) 5.850 20.384 ( 4.072 5.717 2.380) 7.412 20.478 ( 1.148 -0.183 3.119) 3.329 20.742 ( -1.699 2.665 2.364) 3.946 20.858 ( 0.822 -1.495 -3.094) 3.533 21.052 ( 0.222 -2.941 3.487) 4.567 21.124 ( 0.100 0.969 1.080) 1.455 21.321 ( -1.112 0.975 -5.513) 5.708 21.583 ( 0.467 1.868 -1.956) 2.745 21.756 ( 3.329 -5.272 -3.757) 7.280 21.769 ( 1.926 -0.896 -1.720) 2.734 21.993 ( 0.511 -4.144 -3.896) 5.710 22.969 ( 0.571 -0.685 7.031) 7.088 23.054 ( -3.072 -2.496 3.003) 4.968 23.353 ( 9.559 -4.722 -2.857) 11.038 23.687 ( 6.239 -3.724 -5.943) 9.387 27.192 ( -6.162 4.179 1.676) 7.632 27.355 ( -4.316 4.833 5.344) 8.399 27.640 ( 6.210 -3.697 3.164) 7.889 27.875 ( 3.645 -5.868 -3.917) 7.941 31.808 ( -2.514 1.514 -1.944) 3.520 31.880 ( -1.940 1.952 0.730) 2.847 31.951 ( -0.032 0.787 -0.708) 1.059 32.006 ( 0.495 -0.385 0.925) 1.118 35.692 ( 0.632 -1.086 0.646) 1.413 35.989 ( 2.368 -7.226 -0.246) 7.608 36.106 ( 1.922 2.848 0.170) 3.440 37.181 ( 15.020 -16.613 -6.162) 23.228 39.045 ( -2.476 0.738 0.476) 2.627 39.294 ( -0.924 -3.133 -3.699) 4.935 39.796 ( -0.296 3.442 3.217) 4.721 40.135 ( 3.402 -0.612 -4.696) 5.831 41.462 ( -2.715 -5.099 2.756) 6.401 41.674 ( -1.393 0.622 4.658) 4.901 41.743 ( 2.608 -1.587 1.032) 3.223 41.903 ( 4.696 -0.601 4.064) 6.240 43.088 ( -4.274 9.870 -22.007) 24.494 43.404 ( -2.660 5.607 20.655) 21.567 44.650 ( -11.059 10.334 3.687) 15.579 45.236 ( -12.197 7.486 -9.062) 16.939 ======================= Grid point 136 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -8.251 17.516 11.419) 22.479 2.126 ( -7.939 5.639 2.729) 10.113 2.200 ( -1.889 -7.535 -7.313) 10.669 2.379 ( -5.382 -2.806 -11.370) 12.889 2.615 ( -2.456 1.284 5.303) 5.983 3.044 ( 9.217 2.087 -7.266) 11.921 3.090 ( -0.482 -1.611 6.215) 6.439 3.278 ( -5.327 -3.372 6.515) 9.066 3.396 ( -5.912 0.766 -2.081) 6.314 3.769 ( 2.433 5.453 -8.655) 10.514 3.998 ( -1.091 -4.203 -1.940) 4.756 4.122 ( 4.197 3.425 1.188) 5.546 4.237 ( 6.095 3.645 -2.162) 7.424 4.506 ( 2.523 1.862 -4.809) 5.741 4.724 ( 0.886 -0.459 2.691) 2.870 4.797 ( 2.162 -4.701 4.021) 6.553 5.286 ( 2.890 -1.899 4.724) 5.854 5.334 ( -3.418 -5.651 4.125) 7.786 5.489 ( 0.847 -7.974 -7.323) 10.860 5.694 ( -0.039 -4.643 8.063) 9.304 6.284 ( 1.419 7.255 -9.490) 12.030 6.497 ( 0.828 0.275 -4.673) 4.754 6.594 ( -3.587 -2.965 11.783) 12.669 6.676 ( 7.331 7.204 -4.293) 11.138 6.835 ( -1.630 4.796 -2.870) 5.822 6.953 ( 0.711 -7.301 -3.073) 7.953 7.235 ( -4.689 6.666 -0.046) 8.150 7.293 ( 1.205 -5.475 -13.874) 14.964 7.672 ( -7.690 5.157 7.147) 11.697 7.837 ( 7.134 -2.690 3.613) 8.437 7.880 ( 1.863 1.263 6.215) 6.610 8.126 ( -1.310 -0.351 -2.015) 2.429 8.492 ( -6.923 -11.432 9.627) 16.471 8.641 ( 4.992 5.607 -6.673) 10.044 8.846 ( -1.342 -7.699 2.675) 8.260 9.093 ( -6.102 9.338 -2.214) 11.372 9.357 ( 4.375 -2.989 5.230) 7.446 9.454 ( -0.619 -1.216 -2.544) 2.887 9.714 ( 1.991 8.470 3.522) 9.387 10.085 ( 10.599 5.558 3.170) 12.380 10.413 ( -8.066 -3.684 -5.299) 10.331 10.662 ( 0.489 1.727 0.127) 1.800 11.112 ( 3.144 6.664 0.609) 7.393 11.257 ( -0.581 -3.506 0.095) 3.555 11.443 ( 2.436 2.314 3.488) 4.843 11.564 ( -5.845 -10.339 -8.424) 14.561 11.909 ( -2.473 -2.602 -0.163) 3.593 12.068 ( 2.289 2.639 5.267) 6.320 12.781 ( -3.870 2.522 1.467) 4.847 12.935 ( 8.234 -8.325 -3.674) 12.273 13.750 ( -5.137 4.919 1.165) 7.207 13.983 ( 5.863 -5.493 -0.874) 8.082 14.436 ( -0.679 3.379 -3.067) 4.613 14.636 ( 5.042 -6.395 -0.825) 8.185 15.253 ( 0.157 -2.350 2.270) 3.271 15.424 ( -1.491 -1.754 -2.496) 3.395 15.596 ( 5.568 -3.030 -5.449) 8.359 15.670 ( 4.774 -1.194 -6.667) 8.286 16.823 ( 1.061 -2.631 4.573) 5.382 17.055 ( -2.984 3.465 -3.976) 6.060 18.536 ( -9.348 9.997 2.586) 13.929 18.723 ( -9.410 3.740 12.725) 16.262 19.100 ( 0.787 0.022 -0.611) 0.997 19.261 ( -2.791 1.969 -1.338) 3.668 19.388 ( 1.779 1.612 2.569) 3.516 19.623 ( -1.489 -0.649 -2.094) 2.650 19.719 ( 0.550 3.046 2.740) 4.134 20.066 ( 1.256 -1.043 -3.627) 3.978 20.370 ( 1.954 -4.175 2.573) 5.279 20.380 ( 2.227 1.439 0.686) 2.739 20.523 ( 1.636 0.260 3.604) 3.967 20.713 ( -0.588 2.068 2.196) 3.074 20.848 ( -0.130 -0.751 -4.414) 4.479 21.086 ( -2.257 -0.366 1.163) 2.565 21.112 ( -0.237 1.843 3.210) 3.709 21.263 ( -1.080 -0.204 -4.731) 4.857 21.553 ( -0.990 0.851 0.025) 1.306 21.721 ( -4.212 0.435 -3.171) 5.290 21.842 ( 6.786 -1.141 -5.606) 8.876 22.003 ( -2.016 -3.307 -2.403) 4.558 23.031 ( -1.641 -1.548 7.353) 7.691 23.061 ( 0.053 -0.054 1.060) 1.062 23.495 ( 6.957 -2.145 -0.467) 7.296 23.733 ( 1.475 -1.950 -7.065) 7.476 27.085 ( -5.086 3.322 2.231) 6.472 27.268 ( -4.492 5.813 4.805) 8.779 27.790 ( 6.532 -2.544 3.373) 7.779 27.965 ( 2.343 -5.634 -3.785) 7.180 31.755 ( -1.082 0.401 -1.794) 2.133 31.858 ( 0.104 -0.020 0.499) 0.510 31.938 ( -0.124 0.421 -0.303) 0.533 32.020 ( 0.201 -0.176 0.488) 0.556 35.710 ( -0.105 -0.237 0.608) 0.661 36.046 ( -2.910 -3.027 -0.428) 4.221 36.102 ( 2.728 3.347 0.366) 4.333 37.465 ( 9.847 -9.888 -8.880) 16.541 39.031 ( -0.196 -0.374 1.107) 1.184 39.254 ( -2.406 0.449 -4.194) 4.856 39.808 ( 0.991 -0.203 2.657) 2.843 40.126 ( 1.192 0.939 -4.666) 4.906 41.500 ( -1.894 -2.145 2.710) 3.941 41.689 ( -1.060 -0.722 3.921) 4.125 41.794 ( -0.025 -2.295 0.943) 2.481 42.015 ( 4.934 -0.892 6.241) 8.005 42.730 ( -9.058 12.806 -12.334) 19.955 43.394 ( -6.591 9.472 25.025) 27.557 44.542 ( 4.316 -1.176 -11.545) 12.382 45.000 ( -6.436 2.003 -3.357) 7.530 ======================= Grid point 137 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -9.922 16.945 13.498) 23.828 1.947 ( -11.185 7.933 16.019) 21.086 2.258 ( -2.099 -8.667 -2.210) 9.187 2.297 ( -3.644 -1.560 -4.506) 6.002 2.682 ( 2.951 -4.344 2.241) 5.709 3.063 ( 3.028 3.226 -0.342) 4.438 3.212 ( 4.638 -7.849 1.354) 9.217 3.269 ( -1.220 2.444 6.603) 7.146 3.395 ( -1.268 -2.977 5.000) 5.956 3.613 ( 2.800 10.676 -11.202) 15.726 3.958 ( -4.570 -0.362 -5.338) 7.036 4.120 ( -1.947 1.375 0.240) 2.395 4.264 ( -1.060 1.639 3.447) 3.961 4.410 ( 2.466 5.697 -9.295) 11.177 4.725 ( 1.651 3.997 -2.727) 5.112 4.895 ( 0.871 -1.803 5.974) 6.301 5.225 ( -4.425 2.239 -6.870) 8.473 5.453 ( 6.128 0.020 0.972) 6.205 5.548 ( 0.028 -7.015 -1.941) 7.278 5.801 ( -3.022 -5.010 5.222) 7.842 6.127 ( -0.834 7.616 -9.405) 12.131 6.288 ( -16.951 17.828 -7.517) 25.723 6.512 ( -6.698 1.106 -1.978) 7.071 6.682 ( -4.757 -1.535 9.062) 10.349 6.723 ( 1.519 6.672 1.165) 6.941 6.947 ( -2.007 1.383 -6.842) 7.263 7.059 ( -5.833 6.295 3.960) 9.452 7.268 ( 1.671 -1.068 -6.103) 6.417 7.591 ( -4.617 0.217 1.304) 4.802 7.922 ( 1.014 2.032 4.369) 4.924 7.992 ( 2.685 -3.793 6.262) 7.798 8.104 ( 1.188 -0.016 -2.148) 2.455 8.570 ( -2.435 1.872 0.164) 3.076 8.658 ( 4.091 -5.809 -0.180) 7.107 8.865 ( -6.652 9.086 -3.645) 11.836 8.973 ( -0.687 -6.153 8.740) 10.710 9.456 ( 1.956 0.931 0.885) 2.340 9.487 ( 0.843 -5.975 2.082) 6.384 9.705 ( 4.060 -0.410 0.447) 4.105 10.165 ( 8.975 7.551 4.653) 12.618 10.374 ( -4.124 -7.948 -5.711) 10.621 10.677 ( 3.811 3.448 1.455) 5.342 11.136 ( 8.434 0.761 -0.544) 8.486 11.302 ( -2.930 -6.376 -0.842) 7.067 11.444 ( 0.385 2.776 1.250) 3.069 11.535 ( -5.685 -6.877 -6.616) 11.108 11.983 ( 3.813 -8.938 -0.933) 9.762 12.141 ( 5.375 0.852 3.143) 6.285 12.718 ( -2.645 2.173 -0.650) 3.484 13.100 ( 10.225 -6.684 -5.400) 13.356 13.628 ( -7.432 4.179 3.469) 9.205 13.990 ( -1.384 6.432 -2.389) 7.000 14.339 ( -8.420 0.621 -4.210) 9.434 14.674 ( 3.838 3.235 -5.634) 7.545 15.305 ( 0.758 -3.023 1.434) 3.431 15.396 ( -3.674 -1.524 -2.126) 4.510 15.664 ( 6.875 -0.172 -8.180) 10.686 15.668 ( 3.685 0.748 -9.212) 9.950 16.949 ( -0.601 0.338 -1.722) 1.855 17.000 ( 6.133 -7.061 5.179) 10.691 18.503 ( 1.502 -4.584 13.041) 13.904 18.766 ( -1.253 -4.989 16.633) 17.411 19.078 ( -3.197 0.042 -1.332) 3.464 19.219 ( 0.579 2.730 2.879) 4.009 19.420 ( 2.131 0.135 0.976) 2.348 19.610 ( -0.379 -1.159 -1.225) 1.729 19.710 ( 0.829 3.046 2.797) 4.218 20.019 ( -0.197 5.039 -3.939) 6.399 20.375 ( 3.601 2.869 -1.757) 4.929 20.484 ( -2.382 -9.250 0.533) 9.567 20.555 ( 1.697 0.791 1.549) 2.430 20.712 ( 1.898 1.962 2.901) 3.983 20.819 ( -0.636 -0.565 -3.748) 3.843 21.041 ( -1.873 3.200 0.623) 3.759 21.111 ( -2.800 1.201 5.254) 6.073 21.215 ( -2.929 -0.526 -4.442) 5.347 21.546 ( -1.662 -0.934 2.654) 3.268 21.619 ( -3.936 3.569 -1.368) 5.486 21.883 ( 6.533 0.885 -6.969) 9.594 22.010 ( -4.297 -6.877 -1.153) 8.191 23.037 ( -4.956 -1.449 2.836) 5.892 23.112 ( 4.844 1.246 4.165) 6.509 23.559 ( 3.951 0.927 -2.934) 5.008 23.643 ( -4.870 3.074 -11.471) 12.835 27.018 ( -3.800 2.838 5.691) 7.408 27.173 ( -5.773 6.031 7.805) 11.429 27.897 ( 5.374 -0.780 -0.999) 5.521 28.003 ( 1.147 -3.194 -7.024) 7.801 31.759 ( 1.368 -1.943 -0.196) 2.384 31.892 ( 2.201 -2.374 0.296) 3.250 31.934 ( 0.069 0.092 0.120) 0.166 32.023 ( -0.062 0.098 0.099) 0.152 35.703 ( -0.738 0.916 0.334) 1.223 35.991 ( -5.332 3.471 -0.335) 6.371 36.093 ( 0.804 1.367 0.595) 1.694 37.460 ( -0.808 5.048 -22.439) 23.014 39.057 ( 1.463 -0.655 0.574) 1.703 39.213 ( 0.851 0.363 -0.105) 0.931 39.830 ( -1.215 -1.064 0.418) 1.668 40.091 ( 0.259 1.110 -2.777) 3.002 41.505 ( -1.459 0.790 2.496) 2.997 41.720 ( -1.241 -2.479 2.582) 3.789 41.782 ( -2.767 1.169 -3.928) 4.945 42.099 ( 2.369 0.577 0.254) 2.451 42.416 ( -12.111 9.254 4.838) 15.991 43.528 ( 6.575 1.418 44.206) 44.715 44.512 ( 5.164 -3.550 -24.856) 25.633 45.027 ( 4.538 -5.849 6.334) 9.743 ======================= Grid point 138 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -10.383 17.826 17.351) 26.956 1.884 ( -11.842 9.026 20.207) 25.100 2.198 ( -4.942 9.185 16.985) 19.932 2.371 ( -5.203 -12.350 5.999) 14.683 2.791 ( 3.006 -5.845 0.359) 6.582 3.046 ( 0.571 3.509 1.126) 3.729 3.268 ( -2.127 3.601 3.816) 5.661 3.335 ( 4.145 2.114 -4.708) 6.619 3.438 ( 2.039 -0.401 -3.749) 4.286 3.529 ( 5.720 0.023 4.158) 7.072 3.834 ( -8.620 0.532 -3.625) 9.366 4.014 ( -7.112 4.333 -3.714) 9.119 4.153 ( -8.650 3.593 -2.286) 9.641 4.351 ( 2.972 5.418 -6.442) 8.926 4.612 ( 0.814 9.576 -6.306) 11.494 4.956 ( -1.043 -1.338 2.616) 3.118 5.054 ( 2.158 7.824 -11.015) 13.682 5.498 ( 3.269 -5.500 -11.688) 13.325 5.629 ( 2.122 0.373 -3.659) 4.246 5.675 ( -14.015 12.870 -0.397) 19.031 5.815 ( -5.027 0.224 -4.287) 6.610 6.085 ( -6.126 0.281 6.835) 9.183 6.453 ( -1.875 1.090 1.866) 2.862 6.565 ( -11.871 1.459 5.106) 13.005 6.764 ( 4.604 4.843 7.438) 9.999 6.860 ( 2.812 -0.637 -8.532) 9.006 7.067 ( 1.550 0.388 4.996) 5.246 7.211 ( -1.735 2.730 -6.291) 7.074 7.572 ( -3.027 -4.660 -1.124) 5.669 7.904 ( -0.422 3.782 -0.162) 3.809 8.028 ( -4.042 -1.035 1.000) 4.290 8.154 ( 1.460 -1.539 2.971) 3.651 8.442 ( -2.645 10.287 -2.503) 10.913 8.658 ( -4.131 4.689 -5.203) 8.132 8.778 ( 2.557 -2.501 -0.013) 3.577 9.085 ( -3.765 -1.313 15.952) 16.443 9.481 ( 0.786 -2.286 0.990) 2.612 9.597 ( -1.554 -7.244 4.065) 8.451 9.780 ( 3.488 -3.969 -3.890) 6.561 10.151 ( 0.074 6.975 -2.248) 7.329 10.418 ( 0.943 -7.439 0.378) 7.509 10.660 ( 1.295 7.840 7.166) 10.700 11.255 ( 10.370 5.052 -1.417) 11.622 11.324 ( 2.703 -7.565 -6.068) 10.068 11.423 ( -7.613 -7.020 -2.588) 10.674 11.528 ( 0.906 -1.904 -1.972) 2.887 12.144 ( -2.128 0.198 -0.396) 2.174 12.219 ( 9.879 -8.193 -1.237) 12.894 12.623 ( -0.900 3.817 -8.755) 9.593 13.312 ( 11.132 -5.891 -0.600) 12.609 13.498 ( -6.569 3.521 -1.080) 7.531 13.816 ( -5.992 9.211 -1.254) 11.059 14.151 ( -12.461 0.715 0.528) 12.493 14.639 ( 8.395 6.029 -8.555) 13.417 15.351 ( -3.820 -3.269 -1.374) 5.212 15.372 ( 1.737 -3.218 -0.756) 3.735 15.606 ( 1.299 3.625 -6.523) 7.575 15.637 ( 5.450 4.240 -13.390) 15.065 16.965 ( 3.993 -3.469 -2.103) 5.692 17.240 ( 5.543 -9.251 6.461) 12.572 18.834 ( 9.289 -13.371 20.763) 26.385 19.002 ( 3.479 -7.595 9.322) 12.517 19.025 ( -4.593 -1.878 1.175) 5.099 19.265 ( 3.594 -1.243 11.845) 12.440 19.450 ( 2.547 2.079 3.494) 4.798 19.621 ( -0.095 -2.328 -0.892) 2.495 19.706 ( 1.049 3.213 3.624) 4.956 19.887 ( -1.582 8.313 -5.178) 9.921 20.367 ( 4.175 3.342 -3.196) 6.230 20.513 ( -6.639 -6.120 -1.602) 9.171 20.582 ( -1.083 -3.844 -2.081) 4.504 20.756 ( 3.708 1.387 2.032) 4.449 20.800 ( -0.093 -0.800 -0.093) 0.811 20.979 ( -0.825 5.303 2.273) 5.829 21.058 ( -5.469 5.523 4.456) 8.960 21.143 ( -5.914 -0.784 -0.955) 6.042 21.541 ( -1.043 2.711 1.906) 3.475 21.578 ( -1.215 -2.118 3.032) 3.893 21.879 ( 4.971 2.291 -9.187) 10.694 22.059 ( -5.467 -12.397 -2.389) 13.757 22.986 ( -7.330 0.999 1.374) 7.524 23.186 ( 5.612 3.207 3.212) 7.218 23.371 ( -9.134 7.885 -14.698) 19.017 23.550 ( 4.954 1.802 -7.963) 9.550 27.020 ( -1.907 -0.037 10.270) 10.446 27.099 ( -5.541 4.991 13.196) 15.158 27.916 ( 1.100 -0.635 -8.089) 8.188 27.991 ( 3.914 0.203 -8.802) 9.635 31.818 ( 2.487 -2.103 0.754) 3.343 31.937 ( 0.173 -0.806 0.674) 1.064 31.965 ( 2.059 -3.280 -0.551) 3.912 32.018 ( 0.058 0.578 -0.273) 0.642 35.677 ( -0.720 1.789 0.033) 1.929 35.844 ( -7.119 5.655 -0.397) 9.100 36.099 ( 1.387 0.940 1.027) 1.965 36.976 ( -14.349 24.683 -27.257) 39.473 39.079 ( 1.530 0.385 0.122) 1.583 39.253 ( 3.354 -0.206 0.367) 3.380 39.830 ( -1.774 -1.962 2.019) 3.328 40.069 ( 0.107 0.301 -2.119) 2.143 41.487 ( -1.419 1.573 1.888) 2.838 41.644 ( -3.939 6.667 -4.545) 8.979 41.748 ( -2.593 -2.934 1.512) 4.198 42.032 ( -4.483 2.895 -7.015) 8.814 42.327 ( -4.706 2.408 19.658) 20.356 44.242 ( 21.709 -18.953 45.255) 53.652 44.440 ( 11.730 -6.637 -14.633) 19.894 45.279 ( 10.371 -8.875 7.479) 15.565 ======================= Grid point 139 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -6.222 12.531 23.769) 27.581 1.490 ( -24.559 31.738 19.958) 44.820 2.344 ( 0.631 -5.035 27.593) 28.056 2.531 ( -2.934 -11.187 10.008) 15.294 2.876 ( -2.854 -3.935 0.450) 4.881 2.964 ( 0.963 12.127 1.354) 12.240 3.148 ( 1.172 6.882 -10.360) 12.493 3.329 ( -0.601 2.600 13.481) 13.742 3.397 ( -3.733 -4.654 -9.418) 11.149 3.620 ( 0.898 9.206 3.119) 9.761 3.772 ( 5.069 -3.564 -4.053) 7.404 3.891 ( -2.042 -6.991 -6.089) 9.493 3.974 ( -7.870 2.963 -5.083) 9.826 4.190 ( -1.879 10.079 -9.716) 14.125 4.466 ( -2.483 5.489 -6.259) 8.687 4.844 ( -7.521 0.523 -6.409) 9.895 5.072 ( 11.904 3.735 -3.698) 13.012 5.403 ( -4.726 2.220 -1.028) 5.322 5.540 ( 4.354 -5.582 -8.711) 11.225 5.686 ( -0.927 -0.957 2.385) 2.732 5.730 ( -0.722 3.666 -5.229) 6.426 6.070 ( -10.087 -1.307 14.154) 17.429 6.444 ( -1.580 1.180 5.670) 6.003 6.512 ( -2.337 -0.406 5.402) 5.900 6.807 ( 4.175 2.878 2.306) 5.571 6.876 ( 6.222 -1.389 -10.250) 12.071 7.067 ( 5.790 1.665 -13.144) 14.458 7.161 ( -3.459 -0.591 11.110) 11.651 7.587 ( -2.930 -4.592 -3.123) 6.279 7.827 ( -2.266 1.916 -5.808) 6.523 7.981 ( -7.969 -1.215 3.918) 8.963 8.150 ( -1.766 2.922 -0.617) 3.470 8.273 ( 4.111 11.819 -4.177) 13.192 8.537 ( -5.316 0.503 -5.987) 8.023 8.843 ( 2.925 -0.417 8.291) 8.802 9.128 ( -7.267 2.624 18.030) 19.616 9.547 ( 1.016 -5.334 0.718) 5.477 9.597 ( -11.329 -1.447 3.229) 11.869 9.856 ( 5.222 -4.928 -6.106) 9.425 9.953 ( -10.895 7.169 -3.897) 13.612 10.618 ( 4.276 -5.257 9.801) 11.916 10.715 ( 10.183 -1.280 14.313) 17.612 11.242 ( 7.523 9.254 -0.519) 11.937 11.387 ( -7.739 -6.819 -3.234) 10.810 11.460 ( 6.051 -7.407 -7.804) 12.345 11.551 ( 1.451 -0.549 -1.972) 2.509 11.986 ( -6.156 8.601 -7.252) 12.824 12.260 ( -5.324 2.401 -18.373) 19.279 12.652 ( 14.079 -4.619 -0.884) 14.844 13.204 ( -13.487 5.807 -2.192) 14.847 13.545 ( 0.223 -4.108 -0.629) 4.162 13.643 ( -3.166 6.049 -1.343) 6.959 14.187 ( 2.953 -7.936 11.471) 14.258 14.614 ( 10.859 5.925 -9.909) 15.850 15.340 ( -3.299 -3.321 -1.464) 4.904 15.434 ( 2.832 -3.014 -2.823) 5.007 15.531 ( 4.221 2.842 -10.922) 12.049 15.552 ( 2.807 4.438 -5.913) 7.909 17.077 ( 5.231 -3.618 1.961) 6.656 17.438 ( 2.004 -10.456 -1.917) 10.818 18.971 ( -2.822 -0.051 0.839) 2.944 19.074 ( -0.392 -0.948 -1.858) 2.123 19.265 ( 6.445 -8.457 16.905) 19.971 19.447 ( 2.897 3.342 4.350) 6.203 19.534 ( 0.718 -4.250 11.907) 12.663 19.647 ( -2.736 1.294 0.397) 3.053 19.747 ( 6.229 -3.336 14.253) 15.908 19.777 ( -0.063 1.885 4.124) 4.535 20.355 ( 6.239 5.511 -2.154) 8.599 20.487 ( -8.304 -9.068 -4.799) 13.199 20.571 ( -4.814 -2.733 -2.717) 6.167 20.719 ( -5.286 1.212 0.939) 5.504 20.882 ( 0.087 1.997 1.203) 2.333 20.892 ( 1.145 7.660 0.772) 7.783 20.962 ( 3.307 4.114 1.634) 5.525 21.072 ( -6.807 -0.402 2.003) 7.107 21.517 ( 0.509 2.999 1.402) 3.350 21.619 ( -1.644 -2.527 4.459) 5.383 21.802 ( -0.816 2.894 -10.680) 11.095 22.093 ( -7.992 -8.834 -6.274) 13.464 22.825 ( -6.883 6.967 1.438) 9.899 23.083 ( -9.733 4.376 4.367) 11.531 23.251 ( 5.892 1.270 -9.745) 11.458 23.567 ( 13.189 -0.999 -17.368) 21.831 27.041 ( -4.833 1.578 12.320) 13.328 27.198 ( 0.981 -3.461 18.798) 19.139 27.842 ( -1.251 -0.607 -12.531) 12.608 27.971 ( 5.368 1.501 -9.634) 11.130 31.865 ( 2.145 -0.023 0.816) 2.295 31.957 ( -0.523 -1.478 0.294) 1.595 31.994 ( -1.491 -1.276 -0.426) 2.008 32.012 ( 0.903 0.705 -1.128) 1.608 35.646 ( -0.346 2.089 0.071) 2.119 35.702 ( -4.835 3.285 -0.673) 5.884 36.115 ( 2.385 1.798 1.470) 3.329 36.327 ( -11.082 22.723 -6.192) 26.029 39.093 ( 1.344 0.662 0.826) 1.710 39.272 ( 1.570 0.504 -3.164) 3.568 39.866 ( -1.078 -1.860 4.238) 4.752 40.054 ( 0.752 -0.150 -2.706) 2.812 41.456 ( -5.019 0.959 3.213) 6.036 41.518 ( 1.495 4.523 -2.394) 5.331 41.746 ( -3.653 -1.276 1.171) 4.042 41.893 ( -3.943 1.568 -5.361) 6.837 42.459 ( 1.514 0.531 24.970) 25.022 44.232 ( -0.411 -2.356 -29.033) 29.131 45.448 ( 26.059 -29.254 24.896) 46.418 45.586 ( 19.557 -8.494 7.922) 22.746 ======================= Grid point 141 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 29.712 -0.000 8.953) 31.032 1.934 ( 30.377 -0.000 3.071) 30.531 2.612 ( 4.345 -0.000 -0.287) 4.354 2.728 ( -6.895 0.000 -11.514) 13.421 2.876 ( 11.597 -0.000 -1.744) 11.728 2.895 ( -9.771 0.000 16.291) 18.996 3.084 ( 5.240 -0.000 -8.567) 10.043 3.213 ( -4.085 0.000 -12.233) 12.897 3.527 ( -4.458 0.000 -9.383) 10.388 3.621 ( 6.765 -0.000 -10.677) 12.639 3.699 ( 11.956 -0.000 12.486) 17.287 3.915 ( 9.434 -0.000 8.244) 12.528 3.976 ( -5.993 0.000 -7.365) 9.495 4.176 ( 1.510 -0.000 18.328) 18.390 4.395 ( 5.039 -0.000 4.026) 6.450 4.632 ( -6.586 0.000 7.492) 9.976 4.967 ( 3.698 -0.000 -23.212) 23.504 5.219 ( -3.291 0.000 -11.435) 11.900 5.565 ( 3.493 -0.000 4.482) 5.683 5.633 ( 0.203 -0.000 -0.494) 0.534 5.999 ( 6.146 -0.000 25.060) 25.803 6.311 ( -0.909 0.000 19.703) 19.724 6.433 ( -0.495 0.000 -8.215) 8.230 6.634 ( 2.177 -0.000 -2.932) 3.652 6.784 ( 12.606 -0.000 -17.837) 21.842 6.831 ( 8.713 -0.000 -15.450) 17.737 7.131 ( -6.516 0.000 -7.055) 9.604 7.247 ( 0.905 -0.000 6.828) 6.888 7.619 ( 5.007 -0.000 2.416) 5.559 7.653 ( 7.048 -0.000 -5.120) 8.711 7.851 ( -9.131 0.000 16.144) 18.547 8.071 ( -3.521 0.000 -6.626) 7.503 8.217 ( -0.418 0.000 5.732) 5.747 8.430 ( 8.074 -0.000 -4.413) 9.201 9.091 ( -7.676 0.000 3.542) 8.454 9.353 ( -1.714 0.000 -1.851) 2.523 9.453 ( 6.597 -0.000 14.489) 15.920 9.561 ( -2.927 0.000 9.169) 9.625 9.797 ( 0.342 -0.000 3.491) 3.507 9.981 ( 13.359 -0.000 -9.160) 16.198 10.783 ( -11.533 0.000 8.607) 14.391 10.994 ( -15.723 0.000 -8.320) 17.789 11.063 ( -5.378 0.000 12.521) 13.627 11.225 ( -16.428 0.000 -20.158) 26.004 11.662 ( 13.092 -0.000 -10.667) 16.888 11.735 ( 7.768 -0.000 -6.253) 9.972 11.779 ( 14.629 -0.000 5.588) 15.660 11.903 ( 14.488 -0.000 4.526) 15.179 12.653 ( -5.582 0.000 -8.302) 10.004 13.137 ( -4.992 0.000 7.361) 8.894 13.326 ( -7.176 0.000 6.776) 9.870 13.614 ( 7.212 -0.000 4.083) 8.288 14.285 ( -6.251 0.000 -4.157) 7.507 14.688 ( 2.840 -0.000 -11.121) 11.478 15.178 ( -2.255 0.000 -0.565) 2.325 15.482 ( -1.051 0.000 -3.602) 3.753 15.502 ( 3.411 -0.000 -5.506) 6.477 15.605 ( 7.653 -0.000 -8.113) 11.154 17.085 ( -13.085 0.000 -0.778) 13.108 17.248 ( -4.860 0.000 4.887) 6.892 18.961 ( -1.869 0.000 5.573) 5.878 19.039 ( 2.033 -0.000 -1.524) 2.541 19.357 ( -12.930 0.000 3.128) 13.303 19.541 ( -1.126 0.000 5.266) 5.385 19.567 ( 0.479 -0.000 -1.032) 1.138 19.593 ( 1.350 -0.000 -0.154) 1.359 19.898 ( -6.411 0.000 11.845) 13.469 20.060 ( -12.241 0.000 -10.362) 16.038 20.212 ( -6.639 0.000 21.232) 22.245 20.314 ( -6.507 0.000 -9.102) 11.189 20.541 ( 3.941 -0.000 6.524) 7.622 20.753 ( 6.918 -0.000 1.767) 7.140 20.926 ( 9.332 -0.000 -2.628) 9.695 20.928 ( -2.688 0.000 -0.334) 2.709 21.109 ( -0.068 0.000 2.726) 2.727 21.131 ( 12.331 -0.000 -11.923) 17.153 21.621 ( 3.046 -0.000 -3.927) 4.970 21.631 ( 3.036 -0.000 2.327) 3.825 21.717 ( -0.975 0.000 10.292) 10.338 21.862 ( -2.846 0.000 -5.224) 5.949 22.883 ( 1.363 -0.000 7.573) 7.694 22.966 ( 0.490 -0.000 7.749) 7.765 23.165 ( 7.149 -0.000 -12.884) 14.735 23.609 ( 10.667 -0.000 -16.203) 19.400 27.306 ( -0.111 0.000 17.373) 17.374 27.434 ( -5.299 0.000 15.832) 16.696 27.521 ( 0.436 -0.000 -12.427) 12.435 27.816 ( -0.691 0.000 -14.727) 14.743 31.873 ( -2.734 0.000 -1.199) 2.985 31.964 ( 1.272 -0.000 1.398) 1.890 31.969 ( -1.255 0.000 0.241) 1.278 31.986 ( -1.209 0.000 0.127) 1.215 35.681 ( 2.456 -0.000 -1.569) 2.915 35.698 ( 6.310 -0.000 1.888) 6.586 36.242 ( 11.494 -0.000 1.230) 11.560 36.468 ( 14.200 -0.000 -12.202) 18.722 39.150 ( -1.095 0.000 -4.098) 4.242 39.153 ( -0.479 0.000 2.202) 2.253 39.923 ( -1.155 0.000 4.171) 4.328 40.065 ( 2.038 -0.000 -4.348) 4.802 41.342 ( -3.154 0.000 2.816) 4.228 41.653 ( 7.284 -0.000 -2.017) 7.558 41.670 ( -2.257 0.000 4.787) 5.292 41.846 ( 2.978 -0.000 -0.360) 2.999 43.252 ( 5.820 -0.000 27.618) 28.224 43.508 ( -0.128 0.000 -32.471) 32.472 45.470 ( -31.137 0.000 8.072) 32.166 45.546 ( -21.458 0.000 -0.956) 21.480 ======================= Grid point 142 (67/114) ======================= q-point: ( 0.25 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 25.640 13.119 -7.082) 29.659 2.360 ( 7.256 -3.431 -9.720) 12.606 2.530 ( -7.257 8.763 0.971) 11.419 2.625 ( 4.946 10.214 0.812) 11.377 2.789 ( -4.317 6.004 6.465) 9.822 2.999 ( 7.772 0.692 -7.979) 11.160 3.116 ( -3.354 -5.289 -3.747) 7.298 3.147 ( -0.361 -4.985 2.255) 5.483 3.476 ( -1.737 -7.476 -7.934) 11.039 3.721 ( 6.348 -3.679 -2.466) 7.740 3.827 ( 4.688 6.452 2.339) 8.312 4.023 ( 14.836 -5.189 1.092) 15.755 4.089 ( 1.296 -7.644 11.317) 13.718 4.304 ( -0.850 -2.591 14.051) 14.313 4.483 ( 6.077 2.365 4.338) 7.832 4.687 ( 5.150 -11.232 -7.034) 14.218 4.898 ( 1.859 -2.332 -5.844) 6.561 5.102 ( -5.168 -2.810 -10.371) 11.923 5.590 ( 7.904 7.988 -1.061) 11.288 5.690 ( 5.304 2.183 7.779) 9.665 6.281 ( 10.175 -1.910 5.499) 11.723 6.401 ( 2.413 -5.807 -0.354) 6.299 6.433 ( 0.175 -0.753 13.448) 13.470 6.613 ( -0.507 0.334 -4.013) 4.059 6.820 ( 11.280 2.800 -12.836) 17.316 6.911 ( 14.773 -6.313 -12.397) 20.292 6.997 ( -4.635 -2.168 -9.611) 10.888 7.293 ( 2.793 3.129 5.761) 7.126 7.685 ( 4.168 -0.566 2.788) 5.046 7.734 ( 4.357 -1.387 -4.316) 6.288 7.848 ( -8.771 1.242 18.766) 20.752 8.061 ( -5.376 -10.098 3.654) 12.009 8.227 ( 4.203 5.432 0.318) 6.876 8.544 ( 3.802 -7.785 -3.894) 9.499 8.992 ( -6.742 3.489 0.784) 7.632 9.319 ( 0.909 2.998 -1.444) 3.450 9.505 ( -0.822 6.204 2.119) 6.608 9.573 ( -2.957 4.029 5.155) 7.180 9.848 ( 1.170 0.533 11.218) 11.291 10.095 ( 12.324 0.402 -5.443) 13.478 10.589 ( -8.150 8.677 -2.081) 12.084 10.856 ( -11.865 2.687 -11.134) 16.491 10.921 ( -11.982 -14.826 0.624) 19.073 11.132 ( -9.332 -10.684 -1.284) 14.243 11.603 ( 9.074 16.204 -1.636) 18.643 11.687 ( 2.499 9.029 -1.883) 9.556 12.067 ( 1.367 -4.568 -1.600) 5.030 12.114 ( 9.006 -7.701 7.939) 14.264 12.497 ( 4.968 9.215 -7.050) 12.622 13.183 ( -2.141 10.806 9.105) 14.292 13.313 ( -3.366 -16.729 7.962) 18.830 13.798 ( 11.448 -4.381 2.370) 12.485 14.208 ( -6.394 -6.274 -3.445) 9.598 14.611 ( 2.888 3.067 -11.162) 11.930 15.169 ( -0.986 -1.115 1.424) 2.060 15.439 ( -1.797 0.249 -2.768) 3.309 15.501 ( 1.432 -1.458 -4.822) 5.237 15.628 ( 5.163 -0.015 -7.631) 9.213 16.912 ( -9.610 2.771 -0.059) 10.002 17.194 ( -7.579 0.121 2.786) 8.076 18.957 ( -3.728 3.461 7.060) 8.702 19.067 ( 2.846 -0.729 -0.615) 3.001 19.182 ( -14.256 6.002 3.837) 15.937 19.463 ( -4.294 6.862 -1.326) 8.203 19.550 ( -3.191 2.832 2.057) 4.737 19.617 ( -0.330 -1.372 -1.291) 1.912 19.826 ( -4.422 -3.178 -5.154) 7.498 19.950 ( -7.918 1.432 -0.185) 8.049 20.095 ( -3.878 0.244 0.258) 3.894 20.375 ( -1.955 -7.099 8.229) 11.043 20.590 ( 1.844 4.977 5.582) 7.702 20.784 ( -2.642 1.081 1.484) 3.218 20.919 ( 5.866 4.873 -2.473) 8.017 20.973 ( 3.594 -1.944 -0.793) 4.162 21.125 ( -0.724 -0.234 3.014) 3.108 21.254 ( 5.357 -6.894 -9.347) 12.790 21.636 ( 4.891 1.421 -4.244) 6.629 21.662 ( -0.937 -0.321 4.243) 4.357 21.762 ( 1.208 1.304 -0.453) 1.834 21.862 ( 0.461 -5.772 2.034) 6.137 22.968 ( 2.040 0.062 9.063) 9.290 23.043 ( 3.509 1.355 4.992) 6.250 23.220 ( 10.314 -4.996 -8.179) 14.079 23.640 ( 9.413 -0.287 -10.497) 14.102 27.337 ( -3.767 6.784 5.343) 9.422 27.463 ( -1.644 2.193 3.969) 4.823 27.531 ( 3.111 -4.011 6.792) 8.480 27.729 ( 0.576 -4.750 -11.673) 12.615 31.829 ( -2.791 0.180 -1.251) 3.064 31.932 ( -2.490 1.875 0.518) 3.160 31.968 ( -1.430 0.378 -0.272) 1.504 31.988 ( 0.166 -0.832 1.029) 1.333 35.697 ( 3.281 0.870 -0.508) 3.432 35.845 ( 8.949 -3.406 2.376) 9.866 36.297 ( 12.084 12.355 -2.353) 17.441 36.720 ( 15.257 -19.004 -7.568) 25.519 39.088 ( -1.248 2.578 -1.095) 3.067 39.192 ( -0.528 -4.163 -0.588) 4.237 39.901 ( -2.169 4.096 3.095) 5.573 40.074 ( 0.975 -3.296 -4.359) 5.551 41.345 ( -2.458 -3.021 2.573) 4.668 41.686 ( -1.578 0.173 6.349) 6.545 41.736 ( 7.444 0.414 -1.420) 7.590 41.889 ( 3.647 -0.352 0.967) 3.789 43.274 ( 2.356 4.270 -27.492) 27.921 43.496 ( 3.073 1.556 23.804) 24.051 44.991 ( -27.500 15.262 3.143) 31.608 45.278 ( -26.298 -5.341 -5.105) 27.316 ======================= Grid point 143 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 13.647 3.800 -17.433) 22.463 2.280 ( -0.184 13.457 5.160) 14.413 2.316 ( -6.524 10.200 0.299) 12.112 2.477 ( 3.399 15.900 -4.977) 17.004 2.725 ( -0.895 4.886 3.436) 6.040 3.020 ( 4.029 -3.196 -6.793) 8.520 3.092 ( -6.230 -5.460 -0.524) 8.301 3.197 ( -1.350 4.593 6.550) 8.113 3.457 ( -3.524 -0.399 -2.812) 4.526 3.736 ( 2.120 -3.117 -7.935) 8.785 3.951 ( 8.266 0.883 4.269) 9.345 4.160 ( 1.334 -2.994 0.823) 3.380 4.295 ( 3.406 -0.203 6.961) 7.752 4.438 ( 6.233 -6.124 -0.622) 8.760 4.618 ( 3.538 -4.625 11.046) 12.487 4.828 ( 13.292 0.467 -16.127) 20.904 4.999 ( -0.650 -10.551 -2.950) 10.975 5.091 ( -2.158 -11.389 14.429) 18.508 5.578 ( 10.088 9.362 -4.199) 14.389 5.760 ( 5.010 7.958 9.947) 13.689 6.366 ( 7.751 -2.167 -11.707) 14.206 6.483 ( -0.942 -0.399 3.959) 4.089 6.553 ( -3.295 -0.436 -1.528) 3.658 6.659 ( 8.964 -9.727 3.416) 13.661 6.851 ( 13.160 3.975 -7.406) 15.615 6.945 ( 1.981 0.929 -6.225) 6.599 7.089 ( 8.664 -7.954 -9.390) 15.050 7.332 ( 3.558 3.088 2.130) 5.170 7.754 ( -0.329 -2.512 -3.780) 4.550 7.779 ( 4.256 -2.380 1.090) 4.996 7.849 ( -8.383 1.645 18.863) 20.707 8.150 ( -8.935 -7.011 2.311) 11.590 8.264 ( 8.837 0.533 8.008) 11.938 8.626 ( -0.248 -5.843 -1.963) 6.169 8.867 ( -1.383 6.428 -2.390) 6.996 9.268 ( -2.873 4.936 1.222) 5.841 9.381 ( -2.082 4.502 -4.620) 6.778 9.483 ( -3.082 5.253 1.840) 6.362 9.914 ( 1.766 4.348 6.356) 7.901 10.189 ( 8.482 1.279 -3.321) 9.198 10.388 ( -7.848 4.001 -3.947) 9.653 10.655 ( -9.728 -2.491 -5.156) 11.288 10.981 ( -8.342 -11.053 3.626) 14.314 11.148 ( -6.713 -12.066 -3.900) 14.348 11.481 ( -2.074 11.839 3.131) 12.421 11.587 ( 1.304 6.183 -1.421) 6.477 12.058 ( -0.246 1.751 -1.037) 2.050 12.205 ( 8.697 12.465 5.351) 16.113 12.615 ( 10.415 -11.277 -1.834) 15.460 12.986 ( -5.768 12.937 2.038) 14.311 13.657 ( 4.478 -16.690 9.357) 19.651 13.920 ( 8.027 4.191 -4.824) 10.261 14.280 ( -5.436 -14.558 3.291) 15.884 14.575 ( 8.384 1.146 -7.143) 11.074 15.195 ( -1.024 -1.994 3.535) 4.186 15.395 ( -1.348 0.017 -3.016) 3.304 15.514 ( 0.779 -3.285 -3.475) 4.845 15.634 ( 3.089 -1.375 -6.426) 7.262 16.799 ( -5.073 0.367 1.068) 5.197 17.104 ( -7.834 0.389 0.082) 7.844 18.851 ( -8.760 11.300 1.718) 14.401 18.895 ( -13.776 10.001 6.131) 18.094 19.107 ( 1.940 0.142 0.333) 1.974 19.312 ( -3.150 3.252 -3.948) 6.008 19.469 ( -2.803 3.492 0.878) 4.563 19.603 ( -0.788 -0.409 -2.164) 2.338 19.827 ( -1.916 -3.561 -5.404) 6.750 19.858 ( -1.699 -2.058 1.182) 2.918 20.137 ( -4.525 -9.958 1.709) 11.071 20.489 ( 0.962 -2.148 7.649) 8.003 20.558 ( -0.141 4.935 1.765) 5.243 20.742 ( -2.744 0.084 0.600) 2.811 20.896 ( 4.793 4.583 -4.291) 7.899 21.050 ( 1.886 -1.866 1.887) 3.256 21.141 ( -0.617 -0.021 3.086) 3.147 21.260 ( -1.028 -0.864 -5.896) 6.047 21.617 ( 2.072 3.648 -3.882) 5.715 21.685 ( -2.946 -2.219 2.222) 4.306 21.776 ( 4.000 -2.073 -4.707) 6.515 21.954 ( 1.538 -2.515 2.045) 3.588 23.035 ( -1.627 1.355 9.223) 9.463 23.096 ( 7.387 2.979 1.032) 8.032 23.400 ( 10.144 -5.754 -1.063) 11.711 23.689 ( 6.418 -0.974 -7.371) 9.822 27.211 ( -2.794 7.096 -0.052) 7.627 27.418 ( -0.069 5.566 1.029) 5.661 27.684 ( 2.579 -5.637 6.482) 8.969 27.789 ( 2.491 -7.859 -3.014) 8.778 31.778 ( -2.480 0.958 -1.501) 3.053 31.881 ( -2.390 1.551 0.657) 2.924 31.941 ( -1.510 0.040 -0.600) 1.626 32.004 ( -0.454 -1.018 0.598) 1.265 35.728 ( 3.477 1.285 0.383) 3.727 36.008 ( 9.277 -0.227 3.192) 9.813 36.259 ( 8.143 9.788 -4.182) 13.402 37.116 ( 14.748 -17.455 -3.027) 23.050 39.048 ( -0.156 1.698 0.310) 1.733 39.219 ( -1.144 -2.950 -2.255) 3.885 39.841 ( -2.520 2.984 2.370) 4.569 40.088 ( -0.918 -3.539 -4.439) 5.751 41.391 ( -1.787 -5.206 2.922) 6.232 41.709 ( -1.530 0.772 6.218) 6.450 41.784 ( 4.123 2.364 -1.113) 4.882 41.976 ( 5.063 -2.138 3.513) 6.522 43.047 ( 2.570 10.527 -19.952) 22.705 43.609 ( -3.623 7.009 22.369) 23.720 44.559 ( -14.020 3.770 -11.389) 18.453 44.993 ( -20.892 -3.417 -2.570) 21.325 ======================= Grid point 144 (69/114) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 4.820 8.951 -2.866) 10.563 2.116 ( -1.386 12.423 -0.622) 12.516 2.155 ( -1.316 9.396 9.019) 13.090 2.357 ( 6.487 7.314 -4.907) 10.938 2.697 ( 4.646 5.189 0.812) 7.012 3.048 ( 2.758 -3.295 -9.011) 9.983 3.140 ( -6.815 -10.568 3.208) 12.977 3.169 ( -0.155 3.016 11.392) 11.785 3.413 ( 2.021 3.819 2.449) 4.967 3.739 ( 2.016 -1.900 -10.257) 10.625 3.984 ( 1.613 3.941 -1.930) 4.675 4.186 ( -0.187 0.857 1.641) 1.861 4.328 ( 1.265 4.589 2.944) 5.597 4.492 ( 1.883 -0.253 -11.210) 11.369 4.740 ( 1.743 -3.295 0.350) 3.744 4.878 ( 7.128 1.630 3.387) 8.059 5.098 ( -1.445 -8.737 3.458) 9.507 5.394 ( 4.970 -11.198 9.069) 15.243 5.542 ( 8.723 9.226 -5.592) 13.874 5.777 ( 2.720 7.028 8.510) 11.367 6.302 ( -1.470 5.235 -8.377) 9.987 6.484 ( 1.678 1.260 -5.488) 5.875 6.520 ( -6.457 -3.841 0.277) 7.518 6.804 ( -4.016 5.384 -1.622) 6.910 6.908 ( 12.627 7.443 -0.682) 14.674 6.944 ( 5.351 0.409 -1.234) 5.506 7.176 ( 3.778 -4.524 -6.534) 8.800 7.251 ( -6.050 7.436 -2.354) 9.871 7.668 ( -8.158 3.804 4.600) 10.109 7.851 ( 0.349 -2.799 -0.767) 2.923 7.943 ( 4.012 -3.661 6.827) 8.724 8.108 ( -4.479 -1.857 -1.638) 5.118 8.446 ( 3.452 -3.026 12.188) 13.024 8.710 ( 2.675 -3.968 2.790) 5.539 8.788 ( 1.683 1.545 -1.969) 3.016 9.098 ( -6.977 8.089 -3.090) 11.120 9.380 ( 1.951 -2.845 1.306) 3.689 9.435 ( 1.016 -0.794 -1.238) 1.788 9.850 ( -0.570 9.579 -0.962) 9.644 10.167 ( -5.430 -3.433 -11.922) 13.542 10.333 ( 6.414 1.458 5.993) 8.899 10.622 ( -1.728 -5.738 -0.245) 5.997 11.032 ( -5.319 -8.444 2.182) 10.215 11.193 ( -7.064 -11.346 -6.291) 14.772 11.343 ( -3.822 5.144 4.559) 7.865 11.564 ( 3.493 2.856 1.585) 4.782 12.039 ( 2.754 2.675 -0.291) 3.851 12.217 ( 11.398 11.067 3.718) 16.316 12.790 ( -5.886 6.423 1.190) 8.793 12.877 ( 10.052 -10.201 -2.641) 14.563 13.766 ( -2.111 5.195 1.334) 5.764 14.003 ( 6.334 -3.814 -1.439) 7.532 14.304 ( -10.383 -4.986 -2.538) 11.794 14.691 ( 7.877 -2.176 -0.957) 8.228 15.238 ( -1.446 -2.531 4.252) 5.155 15.362 ( -2.258 -0.635 -2.092) 3.143 15.566 ( 4.724 -5.620 -6.034) 9.503 15.655 ( 2.511 -2.440 -4.805) 5.945 16.814 ( -0.217 -5.475 4.684) 7.208 16.993 ( -5.860 1.128 -3.345) 6.841 18.565 ( -7.086 9.177 1.535) 11.696 18.758 ( -7.423 4.461 11.826) 14.658 19.096 ( -1.817 0.992 -1.410) 2.505 19.271 ( 2.091 1.184 -0.130) 2.406 19.430 ( -0.217 0.912 0.740) 1.195 19.586 ( -0.712 -0.656 -1.480) 1.768 19.810 ( 3.534 3.941 0.305) 5.302 19.894 ( -7.191 -10.772 -2.786) 13.248 20.221 ( -4.918 -11.618 -0.305) 12.620 20.472 ( -1.942 5.251 1.205) 5.727 20.584 ( 1.646 -1.141 2.625) 3.302 20.732 ( -0.529 -1.113 0.867) 1.507 20.874 ( 5.358 4.429 -3.243) 7.671 21.081 ( -0.043 0.491 1.715) 1.784 21.147 ( -0.636 1.008 2.009) 2.336 21.212 ( -1.611 0.200 -2.879) 3.305 21.565 ( -0.182 2.527 -1.777) 3.095 21.669 ( -3.062 0.002 0.384) 3.086 21.822 ( 2.953 -2.483 -3.774) 5.397 21.984 ( 1.136 0.882 -0.231) 1.456 23.034 ( -3.501 1.927 6.325) 7.481 23.172 ( 8.840 3.381 2.166) 9.710 23.551 ( 6.108 -1.882 -0.451) 6.407 23.689 ( 1.295 0.951 -8.087) 8.245 27.117 ( -1.273 5.365 2.544) 6.073 27.347 ( -0.593 7.292 2.929) 7.880 27.805 ( -0.069 -6.588 0.111) 6.589 27.896 ( 3.266 -5.024 -1.483) 6.173 31.738 ( -0.580 0.225 -0.814) 1.024 31.857 ( -0.538 -0.401 0.366) 0.764 31.925 ( -1.245 -0.740 -0.273) 1.474 32.012 ( -0.764 -1.029 0.199) 1.297 35.749 ( 2.821 2.535 0.686) 3.854 36.119 ( 9.385 5.509 3.995) 11.592 36.192 ( 2.531 7.230 -4.114) 8.695 37.407 ( 8.578 -8.468 -7.007) 13.942 39.052 ( 2.088 0.457 1.194) 2.449 39.212 ( -0.413 -0.777 -1.474) 1.717 39.803 ( -3.528 -0.307 1.479) 3.837 40.074 ( -2.233 -2.660 -4.129) 5.395 41.463 ( -0.988 -5.087 3.303) 6.145 41.709 ( -1.989 2.199 4.823) 5.661 41.780 ( 0.219 0.782 -1.154) 1.411 42.088 ( 3.781 -1.474 2.580) 4.809 42.776 ( -1.700 16.998 -7.600) 18.698 43.621 ( -3.536 5.675 25.582) 26.441 44.380 ( -1.270 -6.565 -23.576) 24.506 44.862 ( -9.645 -7.388 3.900) 12.760 ======================= Grid point 145 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 8.169 28.442 10.660) 31.453 1.986 ( -3.187 5.007 10.598) 12.147 2.200 ( 0.876 -2.627 7.357) 7.861 2.377 ( 9.605 3.986 1.459) 10.501 2.710 ( 6.064 1.284 -5.528) 8.305 3.061 ( 2.325 -2.065 -4.342) 5.341 3.230 ( -6.651 -9.619 9.670) 15.175 3.263 ( 1.580 -0.842 10.534) 10.685 3.463 ( 7.136 1.254 2.849) 7.785 3.668 ( 3.418 4.933 -12.367) 13.746 3.895 ( -4.880 5.192 -1.379) 7.257 4.140 ( -0.655 5.831 -2.661) 6.443 4.231 ( -6.995 2.953 -1.747) 7.791 4.441 ( 3.679 2.640 -7.011) 8.346 4.783 ( 3.217 0.518 -2.723) 4.246 4.934 ( 0.480 0.523 -2.398) 2.500 5.200 ( 1.355 -0.148 6.843) 6.978 5.451 ( 3.977 6.093 -7.379) 10.363 5.590 ( 4.821 -2.448 -3.434) 6.405 5.789 ( -0.378 2.720 8.386) 8.824 6.116 ( -4.964 11.069 -12.571) 17.470 6.276 ( -12.401 16.254 -1.331) 20.488 6.466 ( -1.822 -0.042 1.174) 2.168 6.629 ( -8.673 4.468 2.921) 10.184 6.889 ( -1.485 1.846 -6.328) 6.757 6.923 ( 0.590 10.261 7.286) 12.599 7.099 ( 0.196 2.887 -0.014) 2.894 7.229 ( 2.459 -0.814 -5.037) 5.664 7.578 ( -4.754 3.077 4.684) 7.349 7.871 ( -1.758 -3.126 -0.261) 3.596 8.038 ( -4.857 -4.531 -3.211) 7.378 8.095 ( 3.218 1.156 6.064) 6.962 8.611 ( 5.342 -3.054 5.726) 8.406 8.705 ( 6.372 5.850 -6.790) 10.997 8.848 ( -6.540 2.983 4.635) 8.553 8.981 ( 1.266 -3.566 7.293) 8.216 9.445 ( -0.381 -3.229 3.579) 4.836 9.483 ( 1.748 -1.906 -2.569) 3.645 9.727 ( 0.152 2.708 -5.039) 5.723 10.081 ( -4.644 -8.078 -12.983) 15.981 10.456 ( 7.599 4.772 6.166) 10.887 10.697 ( 0.152 -5.667 1.084) 5.772 11.091 ( -5.451 -9.666 -1.780) 11.239 11.123 ( -7.296 -5.751 -8.020) 12.273 11.396 ( 7.983 -1.211 6.610) 10.435 11.612 ( 5.640 1.325 1.488) 5.981 12.053 ( 2.629 0.932 0.430) 2.822 12.275 ( 11.185 6.440 4.195) 13.571 12.647 ( -9.936 1.137 -0.912) 10.043 13.126 ( 15.638 -7.036 -3.143) 17.433 13.649 ( -2.214 8.481 -1.369) 8.871 13.956 ( -12.646 1.633 -5.785) 14.002 14.200 ( -4.986 1.649 -1.182) 5.383 14.745 ( 3.952 1.683 -2.935) 5.203 15.271 ( -4.389 -3.034 2.379) 5.842 15.324 ( -0.633 -0.614 -0.796) 1.188 15.639 ( 5.072 -2.632 -11.890) 13.192 15.673 ( 3.045 -0.951 -4.986) 5.920 16.910 ( -0.795 -1.118 -4.411) 4.620 16.979 ( 0.603 -10.420 7.153) 12.654 18.563 ( 2.887 -5.034 14.104) 15.251 18.797 ( -2.245 -4.799 15.155) 16.055 19.042 ( -1.907 1.280 -1.538) 2.764 19.290 ( 1.922 2.010 2.992) 4.085 19.448 ( 1.773 -1.175 1.180) 2.433 19.582 ( -0.393 -1.112 -0.785) 1.417 19.811 ( 3.070 5.080 2.993) 6.648 19.890 ( -7.524 -8.358 -5.659) 12.589 20.289 ( -5.833 -11.776 -3.292) 13.547 20.386 ( -3.168 2.601 -2.042) 4.579 20.609 ( 1.184 1.119 0.572) 1.727 20.765 ( 1.065 -2.112 0.236) 2.377 20.882 ( 8.660 5.680 -0.844) 10.391 21.075 ( 0.497 2.377 1.698) 2.963 21.130 ( -3.146 0.864 2.383) 4.041 21.164 ( -2.091 2.319 -0.268) 3.134 21.537 ( -1.237 -0.041 1.152) 1.691 21.621 ( -2.307 2.364 0.552) 3.349 21.849 ( 0.376 -1.985 -2.513) 3.224 21.978 ( 2.507 1.842 -2.076) 3.740 22.997 ( -5.118 1.882 5.118) 7.478 23.257 ( 8.685 3.360 1.846) 9.494 23.555 ( -1.552 5.576 -12.825) 14.071 23.597 ( 0.251 1.712 -2.096) 2.718 27.077 ( -0.895 4.199 6.464) 7.760 27.269 ( -2.076 8.057 7.388) 11.127 27.839 ( -2.099 -5.136 -6.778) 8.759 27.962 ( 2.759 -2.678 -4.397) 5.841 31.758 ( 1.952 -1.881 0.913) 2.861 31.884 ( 1.236 -2.646 0.119) 2.923 31.922 ( -0.975 -1.039 0.038) 1.425 32.014 ( -0.764 -0.938 -0.287) 1.244 35.744 ( 1.933 3.577 0.429) 4.088 36.053 ( -2.631 9.696 -1.707) 10.191 36.198 ( 9.844 6.823 3.175) 12.391 37.375 ( -1.663 6.940 -18.486) 19.816 39.092 ( 3.394 0.599 0.600) 3.499 39.238 ( 2.568 -0.994 2.188) 3.517 39.772 ( -4.590 -2.296 0.580) 5.165 40.051 ( -1.865 -2.151 -3.082) 4.195 41.522 ( -0.141 -1.110 2.863) 3.074 41.679 ( -4.152 0.856 3.199) 5.311 41.758 ( -0.810 0.709 -1.238) 1.640 42.092 ( -2.938 1.651 -5.018) 6.045 42.543 ( 0.065 15.204 7.829) 17.101 43.870 ( 4.422 -8.517 40.057) 41.190 44.279 ( 0.748 -7.571 -27.723) 28.748 44.990 ( 2.411 -13.572 4.569) 14.522 ======================= Grid point 146 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 11.599 31.183 16.606) 37.184 1.998 ( -4.259 4.074 16.038) 17.086 2.330 ( 2.921 0.394 12.738) 13.075 2.430 ( 4.544 9.308 11.466) 15.452 2.762 ( 6.042 -5.378 -9.267) 12.301 3.098 ( 5.462 2.332 2.569) 6.471 3.258 ( -10.485 -3.842 6.299) 12.821 3.340 ( -0.229 3.327 -0.535) 3.377 3.509 ( 2.496 4.565 -1.316) 5.366 3.628 ( 5.677 -0.223 0.929) 5.757 3.730 ( -7.188 2.133 -2.413) 7.876 4.013 ( -1.353 6.962 -4.571) 8.437 4.101 ( -4.727 7.051 0.156) 8.491 4.354 ( -3.084 5.492 -7.059) 9.461 4.721 ( 0.439 12.038 -5.866) 13.398 4.842 ( -1.184 -2.137 -14.502) 14.706 5.216 ( 3.522 4.488 -2.603) 6.271 5.367 ( -0.191 3.504 -4.873) 6.005 5.593 ( -0.697 -1.699 -7.472) 7.694 5.711 ( -6.315 16.219 -2.042) 17.524 5.824 ( 0.931 1.618 7.869) 8.087 6.100 ( -3.926 6.073 7.166) 10.181 6.482 ( 0.672 -0.138 3.882) 3.942 6.510 ( -6.170 2.265 4.744) 8.106 6.801 ( 1.138 -1.713 -10.560) 10.758 6.902 ( -1.222 2.711 7.672) 8.228 7.126 ( 3.676 1.062 -1.540) 4.124 7.160 ( -1.014 3.040 -7.632) 8.278 7.542 ( -0.953 1.693 3.990) 4.437 7.850 ( -2.126 -0.381 -5.724) 6.118 7.973 ( -10.445 -0.691 4.848) 11.536 8.167 ( 1.122 -1.088 4.665) 4.920 8.604 ( 7.352 12.596 -4.632) 15.303 8.683 ( -1.817 8.217 -0.770) 8.450 8.800 ( 4.628 -2.467 1.155) 5.370 9.141 ( -1.317 -3.487 15.749) 16.184 9.436 ( -3.527 -2.229 -2.441) 4.833 9.536 ( -4.904 -3.382 6.923) 9.133 9.715 ( 3.421 -4.619 -9.028) 10.702 10.032 ( -4.812 -5.031 -11.016) 13.032 10.496 ( 5.154 3.364 5.420) 8.201 10.755 ( -1.746 -2.174 6.006) 6.622 11.092 ( -7.078 -8.201 -7.253) 13.037 11.116 ( 0.221 -11.601 -9.190) 14.802 11.602 ( 15.378 5.578 8.458) 18.416 11.671 ( 8.047 4.562 0.379) 9.258 12.072 ( -3.556 -2.764 1.042) 4.623 12.320 ( -0.827 7.738 -2.982) 8.334 12.555 ( 1.776 -3.889 1.352) 4.484 13.349 ( 3.668 -1.370 -2.536) 4.665 13.466 ( -1.569 5.870 -11.412) 12.928 13.715 ( -9.162 -1.389 -7.163) 11.712 14.132 ( -1.201 4.802 9.352) 10.581 14.732 ( 3.736 2.639 -6.491) 7.941 15.248 ( -4.168 -3.397 0.315) 5.386 15.370 ( 2.458 -1.971 1.513) 3.495 15.595 ( 2.088 1.285 -11.536) 11.794 15.653 ( 3.264 2.570 -9.411) 10.287 16.950 ( 3.731 -5.048 -0.627) 6.308 17.135 ( -4.390 -11.791 3.010) 12.937 18.901 ( 3.728 -13.215 19.659) 23.979 18.952 ( -3.404 -6.930 10.636) 13.143 19.029 ( 4.114 -1.049 -0.126) 4.248 19.349 ( 1.656 -3.231 9.684) 10.342 19.512 ( 0.611 -1.939 5.392) 5.763 19.589 ( 0.628 -1.947 -2.049) 2.896 19.778 ( -5.272 1.973 3.836) 6.812 19.863 ( 3.402 1.357 -4.243) 5.605 20.288 ( -6.768 -4.241 -5.222) 9.542 20.335 ( -3.676 -7.690 -4.947) 9.855 20.612 ( 2.835 2.624 0.313) 3.876 20.793 ( 0.384 0.158 -0.080) 0.423 20.934 ( 10.281 5.733 0.119) 11.772 21.052 ( -3.952 2.449 1.390) 4.852 21.077 ( 0.593 4.601 1.369) 4.837 21.099 ( -3.468 3.564 3.625) 6.154 21.548 ( -1.835 -2.277 2.661) 3.954 21.582 ( 0.162 1.909 0.872) 2.105 21.843 ( -0.780 -0.444 -3.554) 3.666 21.975 ( 2.896 1.225 -2.628) 4.098 22.928 ( -7.115 2.924 4.831) 9.084 23.297 ( -0.946 6.881 -11.845) 13.731 23.319 ( -0.301 7.034 1.189) 7.140 23.562 ( 5.137 1.182 -10.259) 11.534 27.084 ( -1.412 2.337 10.151) 10.512 27.224 ( -2.073 5.889 13.871) 15.211 27.795 ( -2.336 -3.157 -11.049) 11.726 27.971 ( 2.297 -1.842 -9.120) 9.584 31.830 ( 2.714 -2.449 1.695) 4.030 31.925 ( -0.926 -1.321 0.146) 1.620 31.938 ( 0.820 -2.820 0.085) 2.938 32.012 ( -0.394 -0.835 -1.130) 1.459 35.720 ( 1.738 3.945 0.080) 4.311 35.868 ( -5.372 9.043 -1.100) 10.576 36.251 ( 9.168 8.637 4.225) 13.285 36.968 ( -6.526 21.826 -22.244) 31.840 39.122 ( 2.682 1.597 0.997) 3.277 39.286 ( 1.634 0.245 -0.563) 1.745 39.786 ( -1.454 -4.142 3.328) 5.509 40.035 ( -0.657 -1.695 -3.367) 3.827 41.523 ( -0.737 3.683 3.466) 5.111 41.623 ( -4.626 1.145 0.427) 4.785 41.735 ( 0.724 1.443 -0.786) 1.795 41.943 ( -6.989 2.388 -5.921) 9.466 42.538 ( 4.585 7.454 19.248) 21.144 44.116 ( -2.859 -6.812 -23.146) 24.296 44.566 ( 9.522 -30.034 37.715) 49.144 45.281 ( 9.222 -16.179 2.566) 18.799 ======================= Grid point 147 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.547 29.844 20.425) 36.168 1.864 ( 2.476 33.536 20.179) 39.218 2.349 ( 2.267 -4.296 3.158) 5.794 2.605 ( 0.699 -0.527 13.526) 13.554 2.784 ( 2.298 -5.637 -4.772) 7.735 3.094 ( 4.455 8.980 -17.344) 20.033 3.233 ( -5.665 -5.981 5.305) 9.798 3.240 ( 1.600 8.936 3.891) 9.877 3.465 ( -0.988 2.442 12.381) 12.658 3.703 ( -1.045 -1.579 2.172) 2.881 3.719 ( -0.403 -4.826 -4.043) 6.309 3.853 ( -1.079 10.848 -3.669) 11.503 3.956 ( 2.556 5.506 -6.959) 9.235 4.198 ( -0.448 5.228 -2.807) 5.950 4.473 ( -3.802 10.337 -10.865) 15.471 4.782 ( 0.512 4.022 -2.603) 4.818 5.151 ( 1.623 -1.456 -16.277) 16.423 5.329 ( 0.695 -0.171 -0.191) 0.741 5.536 ( 1.767 3.006 -3.628) 5.032 5.600 ( -3.356 -1.079 1.008) 3.667 5.876 ( 4.382 7.249 9.918) 13.043 6.069 ( -6.259 1.029 15.665) 16.901 6.472 ( -2.380 0.814 5.442) 5.995 6.548 ( 2.726 -1.077 2.886) 4.114 6.806 ( 6.532 -4.407 -14.163) 16.208 6.910 ( 3.391 3.436 -4.330) 6.485 7.036 ( 1.818 -0.648 -8.627) 8.840 7.173 ( 0.174 -1.502 2.551) 2.966 7.558 ( 1.448 1.101 2.456) 3.056 7.762 ( -1.549 2.238 -7.615) 8.086 7.894 ( -11.650 -1.542 9.714) 15.247 8.170 ( -2.638 3.953 1.977) 5.147 8.473 ( -0.355 10.117 -5.377) 11.463 8.543 ( 6.975 13.651 -5.019) 16.130 8.939 ( 5.873 -3.755 8.490) 10.985 9.218 ( -5.035 3.482 16.061) 17.188 9.431 ( -4.914 -8.496 -1.252) 9.894 9.484 ( -9.628 -0.102 4.099) 10.464 9.799 ( 3.895 -6.382 -5.367) 9.204 9.907 ( -3.727 4.259 -4.682) 7.346 10.667 ( 6.963 -7.632 6.871) 12.407 10.838 ( -0.615 -4.684 10.526) 11.537 11.071 ( -1.841 -10.696 -8.155) 13.575 11.252 ( 5.351 -14.484 -9.562) 18.162 11.662 ( -1.514 10.648 1.641) 10.880 11.675 ( 9.772 15.264 7.136) 19.478 12.000 ( -1.359 7.573 -4.193) 8.762 12.089 ( -6.209 4.328 -15.812) 17.530 12.734 ( 1.011 -7.194 7.475) 10.424 13.121 ( 0.045 9.250 -11.871) 15.049 13.402 ( -12.227 -6.957 0.001) 14.068 13.669 ( 3.450 3.596 -6.278) 8.015 14.256 ( 6.970 -3.465 11.294) 13.716 14.685 ( 2.657 1.066 -9.415) 9.841 15.257 ( -2.688 -2.656 0.438) 3.804 15.432 ( 3.157 -1.571 -0.743) 3.604 15.535 ( 4.772 0.674 -10.477) 11.532 15.584 ( 2.846 3.448 -8.219) 9.356 17.091 ( 4.174 -6.407 2.821) 8.150 17.217 ( -8.270 -12.715 0.117) 15.168 18.943 ( -3.303 -0.732 3.299) 4.726 19.049 ( -0.136 -0.212 -1.591) 1.611 19.294 ( -0.497 -12.946 16.841) 21.248 19.494 ( -0.687 -5.025 4.695) 6.911 19.527 ( -4.313 0.179 3.878) 5.803 19.623 ( -0.212 0.433 -1.338) 1.422 19.801 ( -1.264 -4.468 11.923) 12.795 19.897 ( 4.677 -0.020 9.900) 10.949 20.240 ( -2.576 -7.209 -7.566) 10.763 20.364 ( -1.335 -7.564 -4.594) 8.950 20.616 ( 4.292 6.199 1.406) 7.670 20.719 ( -7.967 6.754 0.650) 10.465 20.895 ( -5.110 4.932 1.032) 7.177 21.004 ( -0.886 0.472 -0.071) 1.007 21.038 ( 2.216 2.221 2.581) 4.062 21.116 ( 13.992 8.107 -3.630) 16.573 21.564 ( -1.069 0.229 1.875) 2.171 21.590 ( 0.331 -1.234 1.231) 1.775 21.771 ( -2.103 4.554 -2.823) 5.756 21.981 ( 1.159 -0.354 -3.002) 3.238 22.835 ( -4.482 3.732 5.011) 7.689 23.076 ( -5.385 7.690 -0.337) 9.394 23.268 ( 1.341 3.480 -7.189) 8.099 23.572 ( 10.918 -1.315 -16.934) 20.191 27.115 ( -2.199 2.135 13.358) 13.705 27.290 ( -2.345 -0.799 18.035) 18.204 27.712 ( -1.641 -1.721 -12.949) 13.166 27.945 ( 2.578 -1.506 -11.707) 12.081 31.895 ( 2.233 -0.914 1.426) 2.803 31.930 ( -1.241 -1.371 -0.325) 1.877 31.962 ( -1.101 -1.279 0.553) 1.776 32.008 ( -0.189 -0.450 -1.422) 1.504 35.697 ( 0.009 3.489 0.077) 3.490 35.709 ( -0.695 6.408 -0.499) 6.465 36.229 ( -3.441 8.300 4.117) 9.883 36.535 ( 10.805 22.190 -14.533) 28.642 39.132 ( 0.525 1.548 1.836) 2.458 39.267 ( 0.412 1.446 -3.997) 4.271 39.852 ( -1.366 -3.152 4.497) 5.659 40.039 ( 2.591 -1.325 -3.718) 4.722 41.460 ( -4.309 4.831 4.088) 7.656 41.579 ( 2.185 2.498 -0.938) 3.448 41.715 ( -1.616 1.209 0.265) 2.036 41.829 ( -2.909 -0.283 -3.049) 4.224 42.711 ( 5.818 2.301 25.362) 26.122 43.957 ( -2.179 -4.498 -30.324) 30.733 45.258 ( -9.261 -35.263 23.670) 43.468 45.644 ( 10.267 -17.255 1.659) 20.147 ======================= Grid point 150 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 5.509 -0.000 -19.688) 20.444 2.438 ( -10.756 0.000 -6.844) 12.749 2.457 ( 3.384 -0.000 0.833) 3.485 2.752 ( 4.216 -0.000 1.243) 4.395 2.878 ( -3.934 0.000 14.340) 14.870 2.994 ( -1.704 0.000 -5.297) 5.564 3.104 ( 3.520 -0.000 -6.867) 7.716 3.183 ( 9.359 -0.000 -5.143) 10.679 3.375 ( 1.956 -0.000 4.243) 4.673 3.713 ( 5.712 -0.000 -12.015) 13.304 4.011 ( 12.818 -0.000 0.880) 12.848 4.063 ( -3.084 0.000 3.269) 4.494 4.196 ( 10.025 -0.000 11.879) 15.544 4.363 ( -1.191 0.000 14.202) 14.252 4.561 ( 5.043 -0.000 -11.251) 12.329 4.740 ( 14.093 -0.000 11.146) 17.968 4.894 ( 0.358 -0.000 8.869) 8.876 4.989 ( 2.316 -0.000 -12.347) 12.563 5.766 ( 8.658 -0.000 3.823) 9.465 5.880 ( 16.116 -0.000 2.010) 16.240 6.278 ( 9.924 -0.000 -22.646) 24.725 6.476 ( -3.767 0.000 9.347) 10.078 6.519 ( 1.488 -0.000 10.365) 10.471 6.551 ( -1.767 0.000 -4.555) 4.885 6.897 ( 11.486 -0.000 -9.993) 15.224 6.930 ( 10.020 -0.000 -8.198) 12.947 6.995 ( 13.226 -0.000 -2.946) 13.550 7.406 ( 5.228 -0.000 4.697) 7.028 7.687 ( -1.531 0.000 -1.325) 2.025 7.791 ( 5.790 -0.000 -3.157) 6.595 7.884 ( -8.892 0.000 18.194) 20.251 7.924 ( -9.026 0.000 8.064) 12.103 8.369 ( 8.116 -0.000 2.116) 8.387 8.509 ( 2.971 -0.000 -3.208) 4.373 8.958 ( -5.613 0.000 4.108) 6.956 9.334 ( 0.529 -0.000 -1.556) 1.644 9.440 ( -8.958 0.000 -6.512) 11.075 9.646 ( -1.062 0.000 4.387) 4.514 9.932 ( -0.865 0.000 8.599) 8.643 10.152 ( 7.118 -0.000 -14.524) 16.175 10.537 ( -8.117 0.000 -9.253) 12.309 10.647 ( -8.807 0.000 -5.105) 10.179 10.697 ( -5.299 0.000 9.285) 10.691 11.026 ( -4.987 0.000 3.209) 5.930 11.577 ( -16.358 0.000 -0.301) 16.360 11.931 ( 14.770 -0.000 1.040) 14.807 11.939 ( -8.676 0.000 -4.629) 9.833 12.176 ( 2.961 -0.000 6.550) 7.189 12.729 ( 19.023 -0.000 -7.885) 20.592 13.266 ( 2.229 -0.000 18.038) 18.176 13.292 ( -0.750 0.000 1.393) 1.582 13.883 ( 5.750 -0.000 5.765) 8.142 14.095 ( 0.214 -0.000 -4.486) 4.491 14.584 ( 3.275 -0.000 -9.599) 10.142 15.169 ( -0.971 0.000 3.514) 3.645 15.412 ( -1.819 0.000 0.124) 1.823 15.457 ( -0.025 0.000 -5.867) 5.867 15.615 ( 1.493 -0.000 -6.946) 7.105 16.811 ( -8.361 0.000 0.373) 8.370 17.101 ( -8.769 0.000 1.315) 8.867 18.989 ( -4.130 0.000 7.072) 8.190 19.078 ( 0.585 -0.000 -2.988) 3.045 19.112 ( -11.397 0.000 7.652) 13.728 19.383 ( -6.711 0.000 -11.027) 12.909 19.538 ( -3.232 0.000 2.164) 3.889 19.600 ( -2.698 0.000 -0.670) 2.780 19.628 ( -6.811 0.000 -10.824) 12.789 19.884 ( -6.293 0.000 6.813) 9.274 20.070 ( 2.394 -0.000 -9.765) 10.054 20.389 ( -0.898 0.000 13.501) 13.531 20.660 ( -2.181 0.000 4.836) 5.305 20.730 ( -5.535 0.000 -0.478) 5.556 20.975 ( 0.831 -0.000 -5.436) 5.499 21.016 ( 5.262 -0.000 1.921) 5.602 21.149 ( -1.207 0.000 5.234) 5.372 21.221 ( 5.613 -0.000 -7.836) 9.639 21.662 ( -3.912 0.000 5.145) 6.463 21.676 ( 2.175 -0.000 -4.626) 5.111 21.753 ( 3.172 -0.000 -3.403) 4.652 21.901 ( 3.995 -0.000 5.135) 6.506 23.057 ( -0.610 0.000 11.384) 11.400 23.204 ( 9.678 -0.000 7.475) 12.228 23.246 ( 11.728 -0.000 -8.806) 14.666 23.683 ( 8.638 -0.000 -9.178) 12.604 27.397 ( 2.108 -0.000 -9.637) 9.865 27.446 ( -4.365 0.000 12.061) 12.826 27.606 ( 3.339 -0.000 -14.072) 14.463 27.641 ( 1.621 -0.000 14.242) 14.334 31.789 ( -2.498 0.000 -0.915) 2.661 31.911 ( -3.397 0.000 0.167) 3.401 31.942 ( -2.517 0.000 0.007) 2.517 31.984 ( -0.773 0.000 0.472) 0.906 35.749 ( 4.520 -0.000 0.396) 4.537 36.010 ( 14.154 -0.000 5.114) 15.050 36.536 ( 7.598 -0.000 -14.446) 16.322 36.729 ( 20.694 -0.000 5.422) 21.393 39.094 ( 0.445 -0.000 -2.117) 2.163 39.152 ( -1.019 0.000 1.076) 1.481 39.917 ( -4.763 0.000 3.531) 5.929 40.005 ( -0.972 0.000 -5.776) 5.857 41.316 ( -1.777 0.000 2.260) 2.875 41.711 ( -1.680 0.000 5.458) 5.711 41.849 ( 8.926 -0.000 1.454) 9.044 41.929 ( 2.796 -0.000 0.645) 2.870 43.185 ( 8.527 -0.000 -22.913) 24.448 43.701 ( 0.211 -0.000 21.842) 21.843 44.684 ( -27.643 0.000 -23.790) 36.470 44.878 ( -26.769 0.000 11.110) 28.983 ======================= Grid point 151 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 6.696 1.211 -8.547) 10.925 2.222 ( -9.267 5.222 -2.936) 11.035 2.416 ( -11.813 -0.197 10.831) 16.029 2.799 ( 3.747 13.909 -5.278) 15.341 2.812 ( 1.496 3.038 6.326) 7.176 2.969 ( -0.400 1.974 -4.421) 4.859 2.976 ( 1.401 0.004 -11.390) 11.476 3.245 ( 0.218 -3.396 -3.354) 4.779 3.480 ( 5.151 3.389 6.636) 9.059 3.697 ( 5.665 0.218 -11.124) 12.485 4.057 ( -1.106 -0.824 1.913) 2.359 4.153 ( 7.871 -0.533 -1.727) 8.076 4.380 ( -0.949 -3.543 14.604) 15.057 4.447 ( 3.456 1.309 -0.696) 3.761 4.599 ( 4.661 -4.949 -6.141) 9.161 4.962 ( 5.917 0.078 -1.557) 6.118 4.984 ( 10.040 1.783 9.046) 13.631 5.102 ( 8.647 -8.230 13.634) 18.122 5.844 ( 13.230 11.781 -0.504) 17.722 6.007 ( 8.355 8.282 1.376) 11.845 6.353 ( 11.399 -5.725 -11.691) 17.303 6.357 ( -9.851 -3.468 -5.862) 11.976 6.521 ( 2.772 2.287 -5.046) 6.194 6.690 ( 8.588 -7.711 4.984) 12.572 7.014 ( 14.319 2.335 -8.363) 16.747 7.054 ( 12.212 0.287 3.337) 12.663 7.096 ( 5.118 1.822 -1.658) 5.680 7.448 ( 4.015 7.479 -1.271) 8.583 7.683 ( -1.234 -3.182 -1.127) 3.595 7.806 ( 2.649 -0.152 -2.074) 3.368 7.883 ( -7.674 -0.139 12.586) 14.741 7.950 ( -8.616 -8.798 6.797) 14.066 8.466 ( 7.813 2.796 4.676) 9.525 8.558 ( 0.658 -4.335 1.699) 4.702 8.909 ( -2.002 3.427 2.526) 4.705 9.241 ( -9.518 3.079 -3.894) 10.734 9.338 ( -0.273 -1.307 -2.119) 2.504 9.554 ( -4.055 9.197 -1.494) 10.162 9.961 ( 0.185 -2.992 -4.769) 5.633 10.081 ( -3.284 -2.534 -12.543) 13.211 10.439 ( -8.313 1.959 -4.421) 9.617 10.499 ( 2.739 3.409 4.924) 6.585 10.807 ( -4.557 -10.217 6.773) 13.077 10.998 ( -4.011 -2.516 0.882) 4.816 11.372 ( -14.308 -0.752 1.012) 14.363 11.735 ( -8.018 5.188 0.140) 9.551 12.048 ( 3.306 5.100 2.282) 6.492 12.330 ( 2.194 -10.280 3.703) 11.145 12.844 ( 20.794 8.842 -3.100) 22.808 13.105 ( -1.482 18.479 -0.472) 18.545 13.607 ( 6.735 -17.185 6.359) 19.523 14.013 ( 4.898 0.838 -1.267) 5.129 14.125 ( 0.448 -4.275 5.722) 7.157 14.601 ( 5.328 -3.505 -4.513) 7.813 15.190 ( -1.802 -1.014 5.080) 5.485 15.375 ( -1.347 1.555 -1.066) 2.317 15.444 ( -0.464 -3.669 -3.630) 5.182 15.585 ( -0.222 -2.135 -5.454) 5.861 16.735 ( -5.083 -1.213 1.686) 5.491 17.002 ( -7.506 -0.067 -0.318) 7.513 18.861 ( -9.354 11.983 -5.172) 16.057 18.935 ( -7.676 6.957 8.066) 13.130 19.088 ( -5.587 -2.894 1.388) 6.443 19.289 ( 1.821 0.479 -3.481) 3.958 19.440 ( -2.019 0.240 -5.759) 6.108 19.582 ( -1.759 -1.074 -0.956) 2.272 19.585 ( -5.526 -8.686 -3.861) 10.995 19.876 ( -5.926 -4.007 4.287) 8.340 20.047 ( 4.415 2.176 -4.438) 6.628 20.493 ( -0.159 -4.495 7.207) 8.496 20.597 ( -4.757 4.467 1.111) 6.619 20.689 ( -3.834 -2.449 0.075) 4.551 20.938 ( 0.701 0.708 -3.978) 4.101 21.089 ( 3.186 -0.015 2.321) 3.941 21.167 ( -0.510 0.729 4.408) 4.497 21.218 ( 1.354 0.379 -5.208) 5.395 21.627 ( -1.538 1.516 -3.349) 3.985 21.649 ( -3.493 -0.848 2.592) 4.432 21.808 ( 7.072 0.593 -2.425) 7.499 21.979 ( 2.757 -0.842 1.826) 3.413 23.101 ( -2.600 2.197 9.667) 10.249 23.285 ( 11.318 5.672 0.441) 12.667 23.449 ( 8.674 -5.941 3.004) 10.934 23.710 ( 6.050 0.696 -8.848) 10.741 27.292 ( 1.213 8.274 -2.326) 8.680 27.493 ( 2.544 1.858 -0.217) 3.158 27.605 ( 0.077 -6.567 -3.267) 7.335 27.774 ( 1.423 -4.008 7.826) 8.907 31.753 ( -1.787 0.559 -0.446) 1.925 31.863 ( -3.174 0.555 0.426) 3.250 31.908 ( -2.376 -0.411 -0.855) 2.558 31.980 ( -1.428 -1.096 0.342) 1.832 35.808 ( 4.734 1.603 1.802) 5.313 36.219 ( 13.334 2.323 5.164) 14.486 36.445 ( 8.239 10.679 -9.627) 16.571 37.112 ( 15.534 -12.147 3.321) 19.997 39.082 ( 1.669 1.703 0.182) 2.391 39.169 ( 0.265 -2.164 -0.475) 2.231 39.837 ( -6.381 2.673 1.816) 7.153 39.977 ( -2.856 -4.213 -4.893) 7.060 41.336 ( -1.218 -3.372 2.644) 4.455 41.720 ( -2.473 -0.314 3.793) 4.538 41.897 ( 3.844 6.220 1.027) 7.384 42.025 ( 5.099 -3.674 2.757) 6.863 43.130 ( 10.486 8.804 -14.539) 19.971 43.778 ( -5.539 5.523 17.228) 18.921 44.227 ( -13.464 -4.494 -25.862) 29.501 44.678 ( -21.615 -5.761 7.858) 23.709 ======================= Grid point 152 (75/114) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -4.505 4.673 4.277) 7.774 2.168 ( 6.389 -0.038 -0.453) 6.405 2.389 ( -9.324 -1.530 16.887) 19.350 2.584 ( 3.405 18.473 -2.318) 18.927 2.837 ( 6.678 5.525 -2.323) 8.973 2.928 ( -5.223 -9.198 -3.923) 11.281 2.997 ( 5.560 -3.126 -4.731) 7.942 3.273 ( 2.367 -1.604 1.378) 3.174 3.519 ( 3.713 3.517 2.885) 5.872 3.693 ( 5.916 0.966 -8.677) 10.546 4.040 ( -1.310 2.666 -0.453) 3.005 4.217 ( 3.717 1.024 1.122) 4.016 4.361 ( -1.950 5.382 -12.522) 13.768 4.478 ( 0.324 0.929 8.665) 8.720 4.653 ( 1.100 -6.115 -7.529) 9.761 5.012 ( 6.447 2.979 -2.802) 7.635 5.170 ( 2.627 -0.554 19.435) 19.620 5.393 ( 8.430 -5.824 8.002) 13.001 5.805 ( 11.887 14.672 -6.086) 19.839 5.978 ( 3.734 9.340 2.284) 10.315 6.248 ( -2.140 1.068 -4.173) 4.809 6.439 ( 2.812 -1.121 -4.912) 5.770 6.496 ( 3.104 2.339 -5.887) 7.054 6.859 ( 2.858 4.322 2.512) 5.758 6.992 ( -3.177 7.636 -1.428) 8.393 7.145 ( 6.864 2.661 3.237) 8.042 7.213 ( 7.167 0.915 0.486) 7.242 7.268 ( -2.267 13.223 -7.138) 15.197 7.648 ( -4.576 2.183 5.630) 7.577 7.820 ( -0.413 -1.230 -0.517) 1.397 7.906 ( -5.298 -5.390 -1.601) 7.725 8.028 ( 3.230 -6.397 2.699) 7.657 8.545 ( 2.208 -0.739 5.140) 5.643 8.690 ( 0.665 -7.386 10.093) 12.525 8.870 ( 3.719 5.248 -1.026) 6.514 9.076 ( -5.545 4.306 -2.862) 7.582 9.360 ( -0.004 -3.033 0.721) 3.117 9.409 ( -2.714 -0.161 -3.221) 4.215 9.887 ( -1.960 2.093 -15.224) 15.491 9.968 ( -5.851 1.486 -6.192) 8.647 10.385 ( 1.371 -7.194 0.625) 7.350 10.577 ( 4.198 -1.574 2.476) 5.121 10.883 ( -5.706 -7.069 1.983) 9.298 11.001 ( -4.751 -4.608 -0.602) 6.646 11.298 ( -4.581 -4.945 4.554) 8.135 11.648 ( -2.335 -0.939 1.667) 3.018 12.002 ( -3.797 1.680 1.335) 4.362 12.459 ( 1.879 -2.054 3.072) 4.146 12.863 ( 0.091 17.160 1.497) 17.225 13.045 ( 23.634 3.609 -1.047) 23.931 13.810 ( -1.127 -4.471 -0.564) 4.645 13.955 ( -3.827 5.376 -5.402) 8.528 14.210 ( 1.852 -0.422 5.289) 5.620 14.703 ( 2.456 -4.901 -1.293) 5.633 15.211 ( -4.003 -1.631 4.625) 6.331 15.334 ( -1.223 1.167 -0.428) 1.744 15.492 ( 3.540 -6.904 -6.233) 9.952 15.599 ( 0.697 -4.611 -3.495) 5.828 16.753 ( -1.987 -5.750 3.360) 6.950 16.915 ( -4.567 0.069 -1.726) 4.883 18.618 ( -2.700 8.005 0.822) 8.488 18.812 ( -7.256 5.510 10.698) 14.052 19.055 ( -3.284 -1.284 -0.956) 3.654 19.324 ( 3.961 0.066 0.040) 3.962 19.414 ( 0.391 -1.856 -3.508) 3.988 19.553 ( -3.346 -1.498 -0.591) 3.713 19.618 ( -4.632 -10.457 -4.453) 12.273 19.888 ( -4.276 -3.879 2.746) 6.393 20.056 ( 3.017 -0.492 -3.623) 4.740 20.479 ( -5.568 4.225 -0.663) 7.020 20.580 ( -0.269 -3.421 2.716) 4.376 20.689 ( -1.984 -3.736 0.221) 4.236 20.930 ( 1.614 -0.669 -1.899) 2.580 21.130 ( 1.213 1.022 3.495) 3.838 21.164 ( 2.145 2.492 -3.260) 4.630 21.199 ( -1.146 0.370 2.169) 2.481 21.569 ( -0.961 1.713 -2.287) 3.015 21.632 ( -3.085 -0.837 1.037) 3.361 21.859 ( 5.282 1.872 -0.854) 5.669 22.013 ( 2.234 0.629 -0.842) 2.469 23.084 ( -3.356 4.163 7.837) 9.487 23.366 ( 10.193 5.078 2.032) 11.567 23.593 ( 3.527 -1.596 1.699) 4.227 23.672 ( 1.992 3.235 -9.922) 10.624 27.215 ( 1.366 6.859 2.484) 7.422 27.470 ( 3.056 7.227 1.037) 7.915 27.668 ( -2.267 -8.140 -3.622) 9.193 27.871 ( 0.188 -4.229 1.208) 4.402 31.737 ( 0.299 0.017 0.532) 0.610 31.838 ( -1.439 -1.008 0.430) 1.809 31.889 ( -1.621 -1.436 -0.794) 2.307 31.978 ( -1.736 -1.590 -0.075) 2.355 35.843 ( 3.713 3.715 2.006) 5.623 36.252 ( 0.691 6.058 -6.838) 9.161 36.445 ( 16.167 11.726 6.205) 20.913 37.373 ( 6.098 -5.490 -3.727) 9.012 39.108 ( 3.986 0.799 1.261) 4.256 39.205 ( 2.143 -1.632 0.722) 2.788 39.740 ( -7.644 0.137 1.278) 7.751 39.960 ( -2.861 -4.673 -4.632) 7.174 41.403 ( -0.870 -5.686 3.271) 6.618 41.716 ( -3.109 -0.547 3.420) 4.654 41.847 ( 1.173 7.392 0.666) 7.514 42.105 ( 0.597 -0.638 -1.640) 1.858 42.986 ( 5.848 17.831 -3.877) 19.162 43.787 ( -1.958 0.562 18.984) 19.093 44.066 ( -3.202 -8.939 -23.183) 25.052 44.638 ( -10.288 -13.622 4.995) 17.787 ======================= Grid point 153 (76/114) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -1.971 3.754 6.821) 8.031 2.256 ( 2.000 -2.327 8.762) 9.283 2.402 ( -1.610 13.321 12.443) 18.299 2.504 ( 4.914 -3.991 4.115) 7.551 2.826 ( 10.257 8.073 -5.361) 14.111 3.023 ( -5.904 -13.174 6.481) 15.825 3.099 ( 4.697 -2.487 4.569) 7.009 3.360 ( 4.981 -2.265 -0.245) 5.477 3.538 ( 3.160 0.841 -1.697) 3.684 3.684 ( 5.016 3.527 -5.637) 8.330 3.941 ( -3.359 8.839 -1.113) 9.521 4.131 ( -3.601 5.963 -15.207) 16.726 4.250 ( 3.620 4.132 5.317) 7.645 4.485 ( 0.692 3.991 -0.945) 4.159 4.682 ( 0.173 -7.054 -10.659) 12.783 4.947 ( -2.729 5.030 -8.763) 10.466 5.313 ( -0.794 3.119 17.556) 17.849 5.552 ( 5.550 0.282 2.020) 5.913 5.696 ( 8.297 16.360 -6.823) 19.571 5.914 ( 1.004 7.221 2.518) 7.713 6.172 ( 4.295 11.120 -7.835) 14.265 6.366 ( -3.629 13.192 2.216) 13.860 6.464 ( -0.344 0.227 1.849) 1.894 6.639 ( -7.739 12.560 -0.831) 14.776 6.841 ( -4.895 4.482 -3.800) 7.647 7.052 ( -9.840 8.377 10.319) 16.537 7.147 ( 3.100 3.599 -3.597) 5.958 7.258 ( 5.220 3.349 -5.484) 8.279 7.631 ( -0.163 4.673 6.722) 8.188 7.845 ( 1.413 -0.034 -1.292) 1.915 7.872 ( -8.573 -6.174 1.394) 10.657 8.162 ( 6.004 -2.132 -1.363) 6.515 8.628 ( 1.696 -4.832 2.067) 5.522 8.830 ( 0.576 -2.463 3.380) 4.222 8.865 ( 2.884 5.302 4.230) 7.370 9.013 ( 2.052 -1.359 4.728) 5.330 9.396 ( -1.970 -3.513 -4.582) 6.101 9.425 ( -3.818 -5.382 4.250) 7.849 9.697 ( -1.409 3.805 -13.519) 14.115 9.868 ( -1.660 -4.258 -10.630) 11.570 10.554 ( 3.975 -7.695 0.116) 8.662 10.648 ( 2.044 0.322 3.161) 3.778 10.889 ( -5.075 -7.449 -5.377) 10.496 10.962 ( -3.904 -2.766 -3.302) 5.814 11.458 ( 4.328 -11.438 7.637) 14.418 11.713 ( 5.035 -3.795 1.547) 6.492 11.979 ( -3.724 -3.623 4.543) 6.902 12.458 ( -6.343 0.955 -1.052) 6.500 12.715 ( 7.164 17.331 8.563) 20.616 13.295 ( 19.929 1.142 -2.132) 20.075 13.669 ( -20.402 1.254 -9.853) 22.691 13.759 ( 2.680 11.016 -5.887) 12.774 14.261 ( 2.157 3.884 6.749) 8.080 14.739 ( -0.466 -2.104 -3.352) 3.985 15.185 ( -5.805 -1.620 2.384) 6.482 15.339 ( 1.928 -0.424 2.087) 2.872 15.556 ( 3.002 -4.660 -11.250) 12.542 15.647 ( 2.858 -3.206 -5.123) 6.685 16.837 ( -0.430 -6.447 -0.831) 6.514 16.893 ( -2.417 -4.728 1.951) 5.657 18.652 ( 2.366 -3.621 15.087) 15.694 18.814 ( -4.315 -2.785 13.969) 14.883 19.036 ( 1.019 -0.116 -1.611) 1.910 19.344 ( -0.034 1.372 1.670) 2.162 19.446 ( 2.320 -3.462 -2.935) 5.098 19.529 ( -4.050 -3.668 -1.420) 5.645 19.663 ( -2.298 -7.746 -2.557) 8.474 19.908 ( -1.751 -3.328 1.613) 4.092 20.077 ( 2.402 -2.686 -5.544) 6.613 20.342 ( -6.688 3.395 -2.609) 7.941 20.617 ( -0.301 -1.573 1.736) 2.362 20.729 ( -0.534 -4.414 -0.214) 4.451 20.963 ( 1.586 -2.022 -0.386) 2.598 21.113 ( -1.998 1.854 -0.932) 2.880 21.169 ( 3.921 2.578 0.885) 4.775 21.195 ( 1.052 2.441 3.029) 4.030 21.533 ( -0.433 0.965 -0.267) 1.090 21.608 ( -1.998 -0.022 0.055) 1.999 21.878 ( 2.699 2.946 0.485) 4.025 22.020 ( 3.299 1.406 -2.570) 4.412 23.033 ( -3.949 5.251 7.240) 9.777 23.421 ( 5.813 5.585 1.181) 8.147 23.535 ( -1.583 7.288 -9.314) 11.932 23.612 ( 1.990 2.047 -3.164) 4.262 27.183 ( 0.102 5.341 6.787) 8.637 27.416 ( 0.238 8.609 6.710) 10.917 27.685 ( -2.205 -5.676 -7.767) 9.869 27.900 ( -0.489 -3.488 -5.437) 6.478 31.775 ( 2.538 -1.645 1.736) 3.487 31.859 ( -0.241 -2.834 0.710) 2.932 31.889 ( -0.678 -1.880 -0.711) 2.122 31.975 ( -1.720 -1.874 -0.798) 2.666 35.840 ( 2.681 5.184 1.689) 6.076 36.093 ( -3.425 8.115 -5.781) 10.536 36.535 ( 13.070 13.622 9.002) 20.914 37.317 ( -2.107 6.764 -14.715) 16.332 39.163 ( 5.030 1.446 0.756) 5.288 39.271 ( 1.626 -1.520 2.375) 3.255 39.684 ( -4.810 -3.365 2.431) 6.354 39.958 ( -1.248 -4.487 -4.817) 6.701 41.490 ( -0.666 -5.458 3.281) 6.403 41.706 ( -2.808 1.757 4.880) 5.898 41.767 ( -0.796 5.050 0.119) 5.114 42.020 ( -4.793 3.059 -7.734) 9.600 42.856 ( 6.810 16.909 8.161) 19.972 43.921 ( -8.353 -7.530 -4.323) 12.048 44.068 ( 4.894 -11.926 10.396) 16.561 44.821 ( 2.240 -19.901 -0.265) 20.028 ======================= Grid point 154 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -6.814 1.889 8.915) 11.379 2.307 ( 1.332 12.204 8.815) 15.114 2.466 ( 2.989 -7.646 21.651) 23.155 2.664 ( 3.911 -4.615 -1.204) 6.168 2.795 ( 10.582 16.600 -2.183) 19.806 3.043 ( -17.963 -4.766 11.345) 21.774 3.246 ( -2.404 -6.371 -1.247) 6.923 3.426 ( 14.828 7.536 4.819) 17.318 3.562 ( 3.332 0.832 -3.075) 4.610 3.652 ( -0.500 0.067 -4.595) 4.622 3.710 ( -2.416 11.921 -4.678) 13.032 3.997 ( 0.551 1.490 -6.596) 6.785 4.273 ( -2.035 13.112 6.607) 14.823 4.332 ( -2.316 6.183 -4.607) 8.051 4.650 ( 3.829 -3.642 -24.740) 25.299 4.782 ( -0.922 0.939 -9.822) 9.910 5.261 ( -3.999 12.903 4.623) 14.277 5.469 ( -0.130 9.367 -7.554) 12.034 5.622 ( -1.013 8.501 11.583) 14.403 5.852 ( -1.562 11.651 -1.606) 11.864 5.969 ( 9.117 9.978 1.106) 13.562 6.244 ( -0.126 9.194 9.462) 13.194 6.494 ( 0.660 -1.529 3.375) 3.764 6.539 ( -0.843 3.790 3.077) 4.954 6.703 ( -1.712 -0.641 -10.013) 10.178 6.923 ( -6.551 2.504 7.431) 10.218 7.168 ( 2.837 0.412 -0.153) 2.871 7.190 ( 6.675 7.863 -12.725) 16.380 7.623 ( 1.326 4.110 5.521) 7.009 7.817 ( 1.050 2.280 -4.716) 5.343 7.836 ( -13.373 -3.485 8.157) 16.048 8.222 ( 3.494 1.056 1.642) 4.002 8.708 ( 0.024 0.809 -2.173) 2.319 8.826 ( 4.381 6.091 -2.390) 7.874 8.860 ( 3.801 2.835 5.438) 7.215 9.173 ( 0.574 -7.194 10.713) 12.917 9.291 ( -8.885 -1.284 -7.316) 11.581 9.460 ( -8.848 -3.864 7.670) 12.331 9.633 ( 3.504 -4.453 -10.105) 11.585 9.880 ( 3.538 -5.074 -8.837) 10.787 10.602 ( 0.616 1.384 2.339) 2.787 10.702 ( 0.214 -4.198 3.587) 5.526 10.900 ( -2.600 -7.060 -7.171) 10.393 10.966 ( 2.864 -6.858 -7.052) 10.245 11.689 ( 1.022 -8.823 4.617) 10.011 11.867 ( 6.152 -6.349 0.059) 8.841 12.052 ( 3.047 1.546 9.407) 10.009 12.256 ( -11.771 7.688 -3.277) 14.436 12.722 ( 3.106 9.272 12.863) 16.158 13.268 ( -19.376 -0.737 -5.319) 20.106 13.409 ( 6.615 11.103 -13.442) 18.647 13.697 ( 13.605 1.832 -10.885) 17.519 14.292 ( 2.428 4.549 12.264) 13.304 14.697 ( -2.516 -0.017 -6.771) 7.224 15.185 ( -1.652 -2.832 3.040) 4.471 15.401 ( 2.507 -1.033 3.044) 4.076 15.532 ( 2.482 -1.306 -12.460) 12.771 15.650 ( 3.614 0.951 -9.062) 9.802 16.922 ( 2.286 -6.837 -0.237) 7.213 16.951 ( -4.235 -7.890 1.553) 9.088 18.883 ( -5.637 -7.328 15.111) 17.715 18.906 ( -5.078 -8.128 15.411) 18.148 19.091 ( 7.038 -0.965 0.439) 7.118 19.353 ( -4.190 -3.684 6.268) 8.392 19.482 ( -1.683 -3.863 -1.682) 4.537 19.548 ( 3.026 -4.387 -3.433) 6.339 19.712 ( -1.954 -3.908 3.220) 5.428 19.959 ( 1.844 -2.818 1.014) 3.517 20.103 ( 3.183 -2.701 -6.538) 7.757 20.206 ( -4.796 -0.121 -5.545) 7.332 20.651 ( 0.481 -1.184 2.939) 3.205 20.761 ( -2.358 -2.876 -0.845) 3.815 20.990 ( -2.009 -1.313 0.556) 2.464 21.041 ( -2.720 4.113 0.316) 4.941 21.133 ( -1.995 4.560 2.126) 5.412 21.260 ( 10.760 2.253 -1.296) 11.070 21.531 ( 0.214 -0.032 1.578) 1.593 21.595 ( 0.475 -0.151 -0.577) 0.763 21.866 ( 1.456 3.458 0.047) 3.753 22.023 ( 4.110 2.176 -3.774) 5.989 22.958 ( -4.630 6.196 6.852) 10.333 23.310 ( -0.243 9.684 -10.003) 13.924 23.392 ( -4.714 6.332 2.480) 8.275 23.595 ( 7.600 3.071 -7.796) 11.312 27.182 ( -1.379 3.460 10.330) 10.981 27.372 ( -2.924 6.393 12.452) 14.300 27.650 ( -1.194 -3.165 -10.591) 11.118 27.885 ( 1.472 -2.775 -10.040) 10.520 31.849 ( 2.533 -2.313 1.776) 3.863 31.887 ( -1.205 -2.149 0.405) 2.497 31.915 ( 0.021 -2.442 0.142) 2.446 31.974 ( -0.691 -2.066 -1.590) 2.697 35.812 ( 1.328 5.500 1.642) 5.892 35.905 ( -3.013 8.489 -3.339) 9.607 36.521 ( -0.593 14.575 8.842) 17.057 37.035 ( 5.392 15.742 -19.451) 25.597 39.185 ( -0.220 2.500 1.831) 3.106 39.293 ( 1.757 0.227 -1.792) 2.520 39.742 ( -1.496 -5.387 4.829) 7.387 39.979 ( 3.148 -3.690 -5.454) 7.299 41.562 ( -0.351 -3.248 3.453) 4.753 41.631 ( -3.055 8.147 3.930) 9.548 41.749 ( -0.315 -1.508 0.947) 1.808 41.854 ( -4.776 4.152 -6.130) 8.810 42.858 ( 6.408 10.263 16.427) 20.402 43.805 ( -5.183 -7.014 -23.744) 25.295 44.472 ( -5.885 -23.969 29.310) 38.317 45.151 ( 9.218 -21.958 -3.563) 24.080 ======================= Grid point 155 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -12.166 9.069 16.307) 22.275 2.282 ( -1.101 3.210 11.348) 11.845 2.472 ( -10.388 19.234 -0.283) 21.862 2.687 ( 7.762 10.628 -9.451) 16.202 2.775 ( 6.382 -9.054 11.953) 16.296 3.006 ( -13.030 -11.211 9.212) 19.502 3.110 ( -2.517 6.426 -18.335) 19.591 3.477 ( 4.558 9.928 -4.395) 11.775 3.586 ( 4.433 1.290 5.241) 6.985 3.671 ( 2.268 -2.425 3.146) 4.574 3.728 ( 8.783 -0.642 12.903) 15.622 3.927 ( -8.492 11.904 -7.604) 16.482 3.953 ( 4.930 4.327 -8.217) 10.514 4.369 ( 6.660 7.047 7.020) 11.971 4.475 ( -1.080 9.607 -11.016) 14.656 4.802 ( 10.353 -8.625 -22.615) 26.325 5.043 ( -7.401 11.010 3.735) 13.782 5.372 ( 0.796 3.574 0.718) 3.731 5.552 ( -3.746 3.961 2.081) 5.835 5.658 ( 2.149 12.255 -8.396) 15.010 6.111 ( 5.191 1.326 19.753) 20.466 6.196 ( 0.603 10.823 10.854) 15.340 6.476 ( -4.261 0.930 4.667) 6.388 6.576 ( 3.746 -1.925 -0.454) 4.236 6.710 ( 6.877 -6.568 -14.927) 17.699 6.937 ( 1.787 -2.501 3.010) 4.302 7.069 ( 9.378 9.871 -15.052) 20.296 7.187 ( 3.490 1.074 -2.558) 4.458 7.637 ( 1.501 3.336 3.872) 5.326 7.735 ( -5.864 0.593 3.598) 6.905 7.815 ( -4.769 -1.101 6.320) 7.993 8.211 ( -2.075 5.207 1.592) 5.827 8.542 ( -4.776 12.294 -3.142) 13.558 8.762 ( 5.550 9.620 -5.601) 12.438 9.011 ( 5.367 -5.624 8.199) 11.298 9.154 ( -9.622 -6.458 -9.463) 14.961 9.324 ( -1.936 -5.155 11.750) 12.976 9.432 ( -5.339 0.978 8.461) 10.052 9.703 ( 0.346 -8.736 -3.234) 9.322 9.896 ( 3.170 0.571 -5.099) 6.031 10.680 ( 1.342 -3.444 0.805) 3.782 10.808 ( -0.230 -5.883 7.258) 9.346 10.919 ( 5.777 -10.457 -7.824) 14.281 11.105 ( 7.827 -12.302 -7.773) 16.523 11.683 ( -12.736 7.240 0.864) 14.676 11.912 ( -5.663 -1.222 -6.158) 8.455 11.973 ( -0.418 11.928 3.799) 12.525 12.169 ( 4.042 4.694 6.272) 8.815 12.619 ( -11.113 3.196 1.319) 11.638 13.122 ( -16.307 -6.416 2.756) 17.739 13.317 ( 21.086 8.103 -9.937) 24.678 13.748 ( 7.265 5.175 -5.616) 10.540 14.402 ( 5.437 0.660 9.085) 10.608 14.593 ( -3.758 -0.722 -9.747) 10.471 15.218 ( -1.392 -0.969 1.627) 2.350 15.453 ( 2.244 -0.783 0.145) 2.381 15.520 ( 4.570 -1.556 -7.262) 8.721 15.602 ( 5.011 2.868 -10.684) 12.145 16.972 ( -7.286 -8.315 0.287) 11.059 17.083 ( 3.902 -7.715 2.779) 9.081 18.903 ( -6.337 -2.738 6.565) 9.526 19.033 ( -1.800 -2.793 3.170) 4.592 19.213 ( -6.139 -8.594 14.369) 17.833 19.382 ( -7.611 -6.623 0.708) 10.113 19.496 ( -0.845 -2.968 -1.037) 3.255 19.639 ( 3.267 -1.320 0.556) 3.568 19.775 ( -4.818 -7.027 9.353) 12.652 19.972 ( -1.510 2.309 0.044) 2.759 20.155 ( 7.878 -3.435 -2.603) 8.980 20.237 ( 5.222 -8.996 -5.100) 11.585 20.662 ( -9.553 4.782 -0.915) 10.722 20.707 ( -0.115 -0.402 3.390) 3.415 20.904 ( -4.031 4.948 0.852) 6.439 21.007 ( -0.287 1.665 1.767) 2.445 21.094 ( 0.846 1.621 1.226) 2.202 21.347 ( 10.058 1.907 -6.466) 12.108 21.561 ( 2.265 -0.012 2.219) 3.171 21.609 ( 2.800 0.531 -1.859) 3.403 21.816 ( -0.495 5.593 -0.326) 5.624 22.009 ( 3.465 3.183 -4.609) 6.586 22.887 ( -2.198 4.358 6.314) 7.981 23.132 ( -3.686 9.258 0.891) 10.005 23.274 ( 0.684 4.262 -6.487) 7.792 23.601 ( 8.729 2.551 -9.761) 13.341 27.212 ( -2.269 1.323 12.549) 12.821 27.366 ( -5.847 1.180 13.986) 15.205 27.595 ( 0.713 -1.146 -10.397) 10.484 27.868 ( 3.603 -1.295 -10.956) 11.606 31.885 ( -1.823 -1.995 -0.660) 2.782 31.919 ( 1.056 -1.543 1.646) 2.491 31.930 ( -0.948 -1.566 0.029) 1.831 31.987 ( 0.350 -1.155 -0.819) 1.458 35.720 ( -3.306 5.353 0.030) 6.291 35.834 ( 6.032 5.695 0.102) 8.297 36.280 ( -11.977 12.279 2.663) 17.358 36.877 ( 18.641 17.320 -13.009) 28.578 39.137 ( -4.254 0.789 1.057) 4.454 39.294 ( 3.580 3.205 -2.727) 5.525 39.802 ( -3.431 -4.756 3.562) 6.861 40.050 ( 6.915 -1.841 -4.410) 8.406 41.512 ( -4.184 6.833 3.308) 8.668 41.618 ( 1.257 -0.637 3.633) 3.896 41.729 ( -1.916 3.814 -2.262) 4.831 41.785 ( 1.373 -1.806 0.528) 2.329 42.993 ( 5.181 2.672 22.279) 23.029 43.637 ( -4.008 -6.028 -28.710) 29.608 44.846 ( -16.742 -27.057 22.157) 38.772 45.480 ( 2.947 -19.404 -4.368) 20.107 ======================= Grid point 159 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -0.026 0.000 -1.224) 1.225 2.224 ( 4.032 -0.000 3.061) 5.062 2.281 ( -18.414 0.000 16.175) 24.509 2.799 ( -5.335 0.000 1.450) 5.528 2.841 ( 1.340 -0.000 -4.331) 4.533 2.948 ( 6.228 -0.000 -10.085) 11.853 2.991 ( -4.476 0.000 -5.977) 7.467 3.152 ( -0.010 0.000 -2.463) 2.463 3.580 ( 3.155 -0.000 -5.884) 6.677 3.757 ( 12.246 -0.000 -5.473) 13.413 4.019 ( -5.084 0.000 3.889) 6.401 4.240 ( 10.230 -0.000 -6.509) 12.126 4.413 ( -1.744 0.000 2.686) 3.203 4.521 ( -1.374 0.000 11.848) 11.928 4.563 ( 3.555 -0.000 -9.570) 10.209 5.028 ( 4.123 -0.000 -2.597) 4.873 5.169 ( 1.201 -0.000 24.013) 24.043 5.345 ( 19.750 -0.000 8.552) 21.522 6.042 ( -3.831 0.000 -8.493) 9.317 6.084 ( 6.266 -0.000 2.964) 6.932 6.316 ( 2.496 -0.000 0.511) 2.548 6.366 ( 17.154 -0.000 -14.373) 22.380 6.555 ( 7.588 -0.000 -10.441) 12.907 6.807 ( 11.311 -0.000 10.844) 15.670 7.155 ( 12.305 -0.000 -4.056) 12.956 7.163 ( -4.091 0.000 6.224) 7.448 7.210 ( 10.496 -0.000 0.992) 10.543 7.544 ( 2.195 -0.000 -9.536) 9.785 7.666 ( 1.968 -0.000 3.909) 4.377 7.793 ( -6.568 0.000 3.517) 7.451 7.805 ( -0.330 0.000 -3.212) 3.229 7.901 ( -0.908 0.000 5.619) 5.692 8.531 ( 0.728 -0.000 1.903) 2.037 8.607 ( 3.082 -0.000 5.708) 6.487 8.944 ( -1.215 0.000 7.176) 7.278 9.097 ( -9.222 0.000 -3.239) 9.774 9.321 ( 0.015 -0.000 -0.440) 0.441 9.520 ( -7.913 0.000 -7.848) 11.145 9.771 ( -2.384 0.000 -19.677) 19.821 10.037 ( -0.163 0.000 -0.696) 0.715 10.324 ( -4.851 0.000 -5.554) 7.374 10.593 ( -0.370 0.000 4.833) 4.847 10.738 ( -3.001 0.000 6.757) 7.393 10.940 ( -5.460 0.000 2.707) 6.095 11.227 ( -8.958 0.000 4.102) 9.853 11.597 ( -10.550 0.000 -1.113) 10.609 12.148 ( -4.985 0.000 -1.010) 5.086 12.294 ( 3.361 -0.000 6.796) 7.582 13.054 ( 14.239 -0.000 -3.683) 14.707 13.436 ( -2.307 0.000 5.337) 5.814 13.470 ( 18.111 -0.000 -5.989) 19.075 14.092 ( 2.055 -0.000 2.434) 3.186 14.206 ( 4.722 -0.000 7.696) 9.029 14.594 ( 2.437 -0.000 -1.414) 2.817 15.192 ( -3.363 0.000 4.998) 6.024 15.374 ( 1.464 -0.000 -6.390) 6.555 15.377 ( -2.858 0.000 3.065) 4.191 15.520 ( -1.035 0.000 -4.088) 4.217 16.686 ( -3.358 0.000 2.491) 4.181 16.916 ( -5.509 0.000 -0.986) 5.596 18.819 ( -1.603 0.000 -12.867) 12.966 18.916 ( -8.466 0.000 5.840) 10.285 18.996 ( -11.542 0.000 11.951) 16.615 19.282 ( 1.426 -0.000 -8.031) 8.157 19.380 ( 2.805 -0.000 -4.856) 5.608 19.445 ( -3.539 0.000 -2.400) 4.276 19.559 ( -1.380 0.000 -0.324) 1.418 19.783 ( -6.541 0.000 2.371) 6.957 20.126 ( 7.448 -0.000 -3.155) 8.089 20.501 ( -1.146 0.000 5.279) 5.402 20.574 ( -6.194 0.000 -0.292) 6.201 20.602 ( -3.496 0.000 -0.464) 3.527 20.917 ( -0.102 0.000 -1.954) 1.956 21.139 ( 1.211 -0.000 2.417) 2.703 21.194 ( -1.544 0.000 5.619) 5.827 21.209 ( 2.773 -0.000 -6.014) 6.622 21.593 ( -1.201 0.000 -3.078) 3.304 21.614 ( -3.446 0.000 2.041) 4.005 21.894 ( 7.109 -0.000 -1.470) 7.259 22.015 ( 2.302 -0.000 -0.006) 2.302 23.147 ( -3.588 0.000 9.334) 10.000 23.471 ( 12.247 -0.000 -3.190) 12.655 23.532 ( 3.651 -0.000 9.436) 10.118 23.716 ( 4.363 -0.000 -10.025) 10.933 27.382 ( 6.258 -0.000 -6.393) 8.946 27.465 ( -5.052 0.000 6.015) 7.855 27.603 ( 7.754 -0.000 -7.271) 10.630 27.793 ( -3.714 0.000 8.175) 8.979 31.742 ( -0.702 0.000 0.775) 1.045 31.828 ( -3.113 0.000 0.578) 3.166 31.866 ( -1.972 0.000 -1.648) 2.570 31.955 ( -1.750 0.000 0.157) 1.757 35.894 ( 4.113 -0.000 2.759) 4.953 36.336 ( 1.426 -0.000 -5.279) 5.468 36.644 ( 19.115 -0.000 -0.147) 19.115 37.248 ( 9.739 -0.000 6.571) 11.748 39.126 ( 2.869 -0.000 1.124) 3.081 39.174 ( 3.022 -0.000 -0.146) 3.025 39.763 ( -10.458 0.000 2.465) 10.745 39.875 ( -1.631 0.000 -6.445) 6.648 41.323 ( -0.670 0.000 3.100) 3.171 41.705 ( -3.149 0.000 2.792) 4.209 41.979 ( 0.482 -0.000 0.153) 0.506 42.074 ( 3.816 -0.000 1.285) 4.026 43.264 ( 13.508 -0.000 -11.719) 17.883 43.832 ( -9.760 0.000 11.354) 14.973 43.903 ( 1.482 -0.000 -20.823) 20.876 44.427 ( -20.975 0.000 8.385) 22.589 ======================= Grid point 160 (80/114) ======================= q-point: ( 0.50 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -4.166 3.153 9.876) 11.173 2.232 ( -0.825 -2.826 2.157) 3.649 2.317 ( -3.576 -2.470 9.845) 10.762 2.716 ( -7.876 1.405 -2.279) 8.319 2.776 ( 2.686 4.487 -5.797) 7.807 2.952 ( 3.316 -0.063 6.761) 7.530 3.014 ( 5.851 -3.985 0.016) 7.079 3.189 ( -0.074 -7.648 -3.413) 8.375 3.552 ( 3.818 -0.032 -10.443) 11.119 3.837 ( 11.074 6.521 -2.670) 13.126 3.988 ( -6.026 -2.606 1.053) 6.649 4.304 ( -3.565 5.071 -7.971) 10.098 4.327 ( 8.390 1.807 -4.799) 9.833 4.527 ( 2.068 -0.319 -9.242) 9.476 4.604 ( -1.496 -0.070 11.982) 12.076 4.990 ( -5.205 -0.623 -7.979) 9.547 5.362 ( 1.415 1.525 25.725) 25.809 5.603 ( 11.809 2.728 7.761) 14.392 5.970 ( 4.232 3.446 -1.735) 5.727 6.096 ( 2.232 4.872 -4.261) 6.846 6.314 ( 5.103 3.968 -3.466) 7.335 6.477 ( 10.054 -0.573 -6.303) 11.880 6.533 ( 3.552 4.327 -7.052) 9.004 6.991 ( -2.373 4.769 8.565) 10.087 7.082 ( 0.362 6.985 8.312) 10.863 7.211 ( -5.847 11.617 -3.916) 13.582 7.317 ( 3.069 3.299 -2.752) 5.280 7.326 ( -1.073 3.834 -1.675) 4.319 7.716 ( -3.375 -2.578 1.464) 4.492 7.766 ( -0.035 2.140 1.608) 2.677 7.834 ( 5.255 -0.948 3.669) 6.479 8.010 ( 9.565 -6.937 -7.641) 14.071 8.563 ( -1.717 -1.515 5.852) 6.284 8.684 ( 0.881 -3.412 3.642) 5.067 8.956 ( -1.537 2.534 3.914) 4.910 9.035 ( -2.153 -2.113 3.435) 4.572 9.304 ( -8.110 0.457 -7.538) 11.081 9.337 ( 0.629 -1.034 -1.102) 1.637 9.684 ( 0.995 -5.826 -17.376) 18.354 9.917 ( -7.502 5.120 -10.401) 13.809 10.346 ( 5.839 -5.331 3.896) 8.815 10.638 ( 3.249 -0.850 3.159) 4.611 10.741 ( -6.784 -3.823 0.431) 7.799 10.904 ( -5.835 -2.374 1.881) 6.574 11.228 ( -1.422 -5.034 6.238) 8.141 11.527 ( -4.389 -5.631 -0.982) 7.206 12.051 ( -1.210 5.792 2.370) 6.374 12.363 ( -5.282 -6.363 0.676) 8.298 13.147 ( 8.382 12.885 4.244) 15.946 13.393 ( 13.689 3.987 -0.820) 14.281 13.666 ( 0.192 -1.184 -3.257) 3.471 14.023 ( -3.264 7.468 -2.818) 8.623 14.318 ( 5.104 1.201 8.007) 9.571 14.644 ( 0.240 -4.258 -0.307) 4.276 15.163 ( -5.823 -0.297 3.055) 6.583 15.348 ( 1.411 1.066 -0.506) 1.840 15.413 ( 2.254 -4.821 -3.717) 6.491 15.529 ( 1.946 -4.438 -2.759) 5.576 16.694 ( -1.566 -3.086 2.712) 4.397 16.853 ( -2.895 -0.435 -1.868) 3.472 18.711 ( 1.535 6.738 1.282) 7.029 18.841 ( -9.281 2.828 9.073) 13.283 18.959 ( -5.218 -5.674 1.266) 7.812 19.294 ( 2.045 -6.540 -8.004) 10.537 19.392 ( 2.134 0.408 -2.616) 3.401 19.405 ( -3.756 -3.206 -3.550) 6.081 19.565 ( 2.108 -0.721 0.773) 2.358 19.743 ( -5.859 -4.259 -0.021) 7.243 20.174 ( 7.601 4.724 -0.805) 8.985 20.437 ( -8.210 3.410 -0.777) 8.924 20.552 ( 0.492 -2.802 1.409) 3.175 20.602 ( -2.702 -4.701 0.275) 5.430 20.918 ( 0.318 -1.030 0.229) 1.102 21.139 ( -1.145 0.422 -1.224) 1.729 21.211 ( 0.315 0.592 1.513) 1.655 21.216 ( 2.199 0.305 1.105) 2.480 21.562 ( 0.159 0.794 -2.040) 2.195 21.593 ( -2.205 -0.732 0.472) 2.371 21.950 ( 4.732 2.250 -0.372) 5.253 22.034 ( 1.663 -0.289 -1.605) 2.330 23.146 ( -3.908 2.820 8.783) 10.018 23.556 ( 5.993 4.587 3.028) 8.132 23.627 ( 1.854 -0.843 2.554) 3.267 23.667 ( 3.102 2.691 -10.648) 11.413 27.338 ( 0.596 6.924 2.160) 7.278 27.519 ( -0.485 -7.288 -2.931) 7.870 27.616 ( 4.732 6.528 -0.353) 8.071 27.803 ( -3.816 -4.123 0.777) 5.672 31.752 ( 1.018 -0.247 1.674) 1.975 31.808 ( -1.530 -1.074 0.860) 2.057 31.845 ( -0.829 -1.304 -1.544) 2.184 31.937 ( -1.829 -0.904 -0.575) 2.120 35.943 ( 2.685 2.404 2.798) 4.562 36.245 ( -2.785 3.543 -7.965) 9.151 36.858 ( 18.669 9.705 7.149) 22.222 37.358 ( -0.303 -1.762 -0.143) 1.794 39.182 ( 4.636 -0.003 1.794) 4.971 39.231 ( 3.870 -1.030 0.403) 4.025 39.643 ( -9.661 -0.057 2.460) 9.969 39.840 ( -0.564 -3.743 -6.434) 7.465 41.364 ( -0.379 -3.250 4.317) 5.417 41.687 ( -3.487 -0.791 2.759) 4.516 41.943 ( -0.244 5.229 0.081) 5.235 42.070 ( -1.945 0.845 -5.887) 6.257 43.271 ( 11.515 12.800 -2.785) 17.441 43.769 ( -11.688 -4.560 -0.994) 12.585 43.922 ( 9.784 0.479 -0.908) 9.838 44.343 ( -11.113 -15.951 2.933) 19.661 ======================= Grid point 161 (81/114) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -4.876 4.539 7.669) 10.158 2.274 ( -0.716 -3.535 1.275) 3.825 2.378 ( -5.720 -7.568 9.108) 13.151 2.588 ( -3.894 3.640 4.563) 7.017 2.860 ( 8.673 -7.432 -3.010) 11.811 3.057 ( 4.348 1.004 7.066) 8.357 3.101 ( -3.110 -2.369 2.703) 4.753 3.331 ( 6.695 -8.580 3.285) 11.368 3.551 ( 5.325 -1.870 -8.365) 10.091 3.827 ( 3.723 8.717 -3.259) 10.023 3.929 ( -6.100 -0.083 -1.879) 6.384 4.068 ( -2.403 7.116 -11.778) 13.969 4.405 ( 5.763 3.419 3.082) 7.376 4.495 ( 5.817 -0.274 -10.566) 12.065 4.609 ( -5.163 5.168 1.238) 7.409 4.826 ( -7.418 -0.441 -10.251) 12.661 5.500 ( -0.469 5.951 19.341) 20.242 5.653 ( 3.164 6.379 -2.348) 7.497 5.993 ( 4.519 11.381 10.010) 15.816 6.002 ( 0.327 6.378 -2.525) 6.868 6.289 ( 3.915 5.307 -7.126) 9.709 6.440 ( -4.086 5.132 -1.592) 6.750 6.549 ( 5.572 3.652 0.050) 6.663 6.720 ( -3.789 14.239 -12.309) 19.200 6.866 ( -9.077 12.678 7.808) 17.438 7.096 ( -10.075 8.203 10.977) 17.008 7.209 ( 0.737 4.865 3.566) 6.077 7.361 ( 8.770 6.064 -5.614) 12.050 7.675 ( -8.361 -4.266 0.164) 9.388 7.778 ( 1.510 3.266 5.657) 6.704 7.888 ( 1.477 3.818 0.409) 4.114 8.169 ( 11.114 -7.217 -10.637) 16.992 8.602 ( -2.186 -2.815 5.834) 6.837 8.775 ( -2.047 -6.330 3.312) 7.431 8.973 ( 3.756 -0.447 3.146) 4.920 9.067 ( 1.075 0.843 3.584) 3.835 9.210 ( -10.580 -7.652 -2.539) 13.302 9.369 ( -0.483 -1.371 1.402) 2.020 9.621 ( 0.349 2.932 -14.721) 15.015 9.751 ( 2.412 -4.953 -10.970) 12.276 10.538 ( 5.451 -4.295 3.181) 7.634 10.691 ( -4.599 -5.435 -0.108) 7.120 10.723 ( 2.018 -0.271 0.063) 2.037 10.861 ( -3.502 -2.882 -2.949) 5.410 11.396 ( 3.017 -10.983 6.490) 13.109 11.604 ( 0.968 -10.959 -2.876) 11.371 12.050 ( 2.070 1.791 9.768) 10.145 12.338 ( -5.463 -3.127 -3.574) 7.239 13.069 ( 1.514 15.178 10.450) 18.490 13.404 ( -19.407 7.583 -5.284) 21.495 13.595 ( 18.961 6.836 -1.641) 20.222 13.859 ( 0.346 7.763 -9.562) 12.321 14.399 ( 1.937 3.600 9.371) 10.224 14.677 ( 0.659 -1.813 -3.169) 3.710 15.129 ( -3.415 -1.438 3.335) 4.985 15.379 ( 2.695 -0.588 1.980) 3.395 15.464 ( 3.291 -3.801 -8.670) 10.022 15.608 ( 5.429 -3.906 -5.719) 8.799 16.750 ( -1.123 -5.366 1.871) 5.793 16.839 ( 0.368 -2.395 -1.624) 2.917 18.715 ( -6.847 -1.874 15.966) 17.473 18.800 ( -8.794 -2.354 10.328) 13.767 19.035 ( 7.636 -5.304 -2.576) 9.647 19.308 ( -3.539 -3.131 -5.037) 6.907 19.364 ( -1.623 -2.449 -4.279) 5.191 19.434 ( 4.214 -4.053 -3.869) 7.011 19.629 ( 2.620 -1.712 2.049) 3.741 19.748 ( -1.950 -7.649 -3.090) 8.477 20.198 ( 6.049 5.852 0.880) 8.462 20.277 ( -7.009 3.824 -2.320) 8.314 20.597 ( -0.631 -2.831 1.592) 3.309 20.648 ( -0.989 -5.539 -0.299) 5.635 20.947 ( -0.095 -1.628 1.659) 2.326 21.099 ( -1.455 0.954 -2.469) 3.020 21.210 ( -0.804 1.623 2.410) 3.015 21.262 ( 3.638 -0.759 0.354) 3.734 21.552 ( 1.808 0.984 -0.603) 2.145 21.583 ( -0.540 -0.744 -0.798) 1.218 21.949 ( 1.053 3.092 0.034) 3.267 22.049 ( 2.924 -0.152 -2.780) 4.038 23.110 ( -4.008 5.084 8.745) 10.881 23.515 ( 0.059 6.338 -6.096) 8.794 23.550 ( -5.334 5.211 0.814) 7.501 23.688 ( 8.383 3.493 -2.750) 9.488 27.282 ( -2.984 4.252 5.947) 7.896 27.541 ( -2.798 2.539 1.264) 3.984 27.569 ( -0.511 0.559 -1.593) 1.764 27.820 ( 3.015 -2.515 -5.548) 6.797 31.794 ( 0.877 -1.910 1.429) 2.541 31.832 ( 1.012 -1.784 1.503) 2.542 31.854 ( 0.165 -2.147 -0.782) 2.291 31.924 ( -1.282 -1.626 -1.578) 2.603 35.945 ( 1.327 4.461 2.814) 5.439 36.090 ( -4.169 5.635 -5.798) 9.096 36.919 ( 3.430 16.193 9.912) 19.293 37.293 ( 2.918 4.784 -9.908) 11.383 39.245 ( -0.049 2.063 0.284) 2.083 39.270 ( 3.080 -1.799 1.005) 3.706 39.610 ( -3.267 -4.389 4.328) 6.976 39.861 ( 3.072 -5.132 -6.796) 9.054 41.448 ( -0.354 -4.723 5.881) 7.551 41.681 ( -3.260 -2.368 1.954) 4.478 41.849 ( -1.683 7.801 -0.151) 7.982 41.959 ( -2.452 3.199 -6.261) 7.446 43.209 ( 5.401 16.620 6.833) 18.764 43.651 ( -8.006 -4.659 -12.868) 15.855 44.063 ( -3.204 -9.557 15.901) 18.826 44.585 ( 8.306 -22.573 -4.993) 24.566 ======================= Grid point 162 (82/114) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -8.902 5.349 7.397) 12.751 2.322 ( -2.455 -5.519 -8.317) 10.279 2.451 ( -15.339 -11.044 26.387) 32.458 2.651 ( 4.088 -3.120 3.273) 6.096 2.963 ( -4.893 5.855 2.721) 8.101 3.032 ( 1.427 2.113 -5.560) 6.117 3.127 ( 1.657 2.751 1.165) 3.416 3.523 ( 5.542 -5.024 -6.816) 10.119 3.585 ( -2.784 -0.213 -0.251) 2.804 3.649 ( -1.791 3.459 1.022) 4.027 3.874 ( 2.683 1.266 -5.289) 6.064 4.000 ( 4.591 2.296 1.518) 5.353 4.288 ( -10.220 14.982 -7.201) 19.513 4.407 ( 2.175 0.694 -6.511) 6.900 4.585 ( 10.194 -1.599 -4.365) 11.203 4.723 ( 0.402 3.302 -7.404) 8.117 5.411 ( -5.628 13.835 3.155) 15.266 5.564 ( 1.183 9.860 0.652) 9.952 5.787 ( -13.169 16.779 5.679) 22.073 5.942 ( -1.242 6.000 3.348) 6.982 6.211 ( 5.925 3.370 0.203) 6.819 6.391 ( 6.406 5.598 -1.671) 8.670 6.515 ( -1.115 1.904 0.825) 2.356 6.624 ( 1.054 1.942 -6.905) 7.250 6.690 ( 1.195 12.402 6.851) 14.219 6.941 ( -5.465 3.479 7.769) 10.115 7.241 ( 5.087 3.193 2.647) 6.564 7.329 ( 10.495 9.480 -10.389) 17.548 7.646 ( -11.543 -6.043 9.265) 15.987 7.757 ( -0.663 5.232 1.902) 5.607 7.844 ( 0.839 2.367 -2.055) 3.245 8.279 ( 6.060 -1.583 -4.969) 7.995 8.673 ( -2.049 -3.689 3.717) 5.624 8.788 ( -5.035 -4.422 -3.413) 7.521 9.001 ( 0.270 5.271 0.698) 5.324 9.101 ( -0.197 -0.703 -5.037) 5.090 9.178 ( -6.099 -5.163 9.216) 12.198 9.369 ( -4.096 -3.532 6.654) 8.575 9.553 ( 2.575 -3.202 -9.044) 9.934 9.842 ( 8.400 -4.880 -8.493) 12.904 10.582 ( -1.744 -3.844 -0.637) 4.269 10.703 ( -5.856 -3.057 3.474) 7.463 10.778 ( 6.438 -2.494 -2.886) 7.483 10.897 ( 4.599 -4.224 -2.752) 6.823 11.602 ( -0.026 -9.092 5.144) 10.447 11.722 ( -0.375 -10.381 -5.551) 11.778 12.129 ( -4.849 -1.691 5.970) 7.875 12.297 ( 2.352 5.362 4.582) 7.435 12.933 ( -8.383 18.105 2.027) 20.054 13.011 ( -15.783 0.896 3.618) 16.217 13.621 ( 11.029 13.189 -8.724) 19.279 13.817 ( 11.872 0.523 -8.023) 14.339 14.424 ( -1.281 2.026 7.599) 7.968 14.650 ( 1.194 3.448 -4.148) 5.524 15.171 ( 0.534 -2.591 3.998) 4.794 15.436 ( 0.597 -0.869 2.477) 2.692 15.477 ( 6.218 -1.637 -9.410) 11.397 15.651 ( 6.560 0.519 -9.640) 11.672 16.803 ( -2.977 -5.184 0.995) 6.061 16.913 ( 4.535 -5.440 -0.095) 7.083 18.788 ( -11.417 -5.933 9.553) 16.026 18.806 ( -12.509 -10.495 17.385) 23.851 19.180 ( 6.895 0.682 -0.246) 6.933 19.241 ( -5.891 -3.029 -3.561) 7.521 19.384 ( 0.988 -5.509 -3.182) 6.438 19.525 ( 4.878 -5.049 -1.105) 7.107 19.673 ( -1.417 -2.679 1.317) 3.305 19.878 ( 7.870 -9.163 -2.465) 12.328 20.103 ( -6.118 1.895 -3.193) 7.156 20.244 ( 7.713 5.550 0.711) 9.529 20.636 ( -1.970 -3.827 2.241) 4.853 20.684 ( -1.798 -2.135 0.139) 2.795 20.957 ( -2.384 -0.191 0.898) 2.555 21.058 ( -0.517 1.157 -0.067) 1.269 21.176 ( -1.866 3.791 1.979) 4.666 21.317 ( 2.986 -1.825 -2.441) 4.266 21.568 ( 0.990 0.112 0.476) 1.105 21.604 ( 4.877 -0.763 -1.378) 5.125 21.913 ( -0.287 2.313 -1.474) 2.758 22.065 ( 3.878 0.842 -4.141) 5.736 23.041 ( -4.373 7.037 7.852) 11.414 23.374 ( -2.346 9.014 -3.738) 10.036 23.397 ( -4.674 5.247 -1.613) 7.209 23.712 ( 7.730 5.319 -3.421) 9.987 27.244 ( -5.327 1.140 7.389) 9.180 27.437 ( -9.626 3.690 7.091) 12.512 27.568 ( 3.546 -0.884 -6.333) 7.312 27.859 ( 7.227 0.606 -5.543) 9.128 31.825 ( -1.275 -2.450 0.171) 2.767 31.875 ( -1.676 -1.753 0.646) 2.510 31.884 ( 2.511 -1.859 -0.261) 3.135 31.941 ( 1.737 -2.317 -0.579) 2.953 35.881 ( -4.146 6.817 0.619) 8.002 35.965 ( 1.414 4.597 -0.838) 4.882 36.661 ( -15.049 16.646 3.189) 22.666 37.248 ( 15.909 12.112 -8.535) 21.741 39.168 ( -6.120 1.550 0.329) 6.322 39.344 ( 5.177 0.303 -1.010) 5.283 39.672 ( -2.851 -5.209 3.612) 6.951 39.957 ( 8.370 -5.418 -5.682) 11.476 41.546 ( -0.569 -3.501 7.420) 8.225 41.673 ( -4.014 -1.066 -3.184) 5.233 41.742 ( -0.748 5.214 4.756) 7.097 41.862 ( -0.155 4.740 -2.176) 5.218 43.134 ( -0.469 8.462 10.502) 13.495 43.492 ( -8.286 -3.967 -17.232) 19.528 44.307 ( -5.097 -16.503 17.492) 24.582 44.949 ( 10.168 -21.632 -7.296) 24.991 ======================= Grid point 163 (83/114) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -14.365 -1.041 11.681) 18.544 2.294 ( -0.641 -3.674 -4.305) 5.696 2.475 ( -21.633 15.705 7.578) 27.786 2.638 ( -15.302 -13.660 11.831) 23.679 2.825 ( -1.518 9.331 -13.688) 16.635 2.907 ( 5.911 2.118 1.396) 6.432 3.071 ( 1.011 3.792 -6.113) 7.264 3.464 ( -6.621 1.338 -8.310) 10.709 3.574 ( 0.454 -3.083 -3.359) 4.582 3.689 ( 1.246 -2.689 2.609) 3.949 3.922 ( 6.821 0.613 1.753) 7.069 4.010 ( 0.358 5.262 -1.352) 5.445 4.140 ( 8.441 4.041 7.072) 11.730 4.407 ( 4.574 -0.292 -5.154) 6.897 4.608 ( 2.937 5.856 -6.112) 8.959 4.712 ( 9.586 1.106 -3.761) 10.357 5.153 ( -6.643 12.143 3.470) 14.269 5.454 ( -1.437 8.011 -0.277) 8.143 5.585 ( -1.963 4.917 3.448) 6.318 5.755 ( -6.507 14.369 -5.864) 16.828 6.320 ( 3.324 -1.601 9.681) 10.360 6.387 ( 5.281 4.361 1.118) 6.939 6.488 ( -1.445 3.638 4.489) 5.956 6.592 ( 5.731 -1.475 -6.070) 8.477 6.689 ( 7.333 3.926 -2.013) 8.558 6.963 ( 2.292 -1.192 2.591) 3.659 7.245 ( 6.726 8.431 -6.444) 12.564 7.277 ( 10.986 7.441 -7.175) 15.085 7.646 ( -10.414 -3.545 13.944) 17.761 7.741 ( 0.799 0.830 5.622) 5.739 7.819 ( 1.281 0.690 -3.531) 3.819 8.256 ( -3.282 5.476 -0.551) 6.408 8.591 ( -5.445 8.306 -0.684) 9.955 8.760 ( -4.699 -6.825 -8.016) 11.529 8.918 ( -4.044 1.815 -3.254) 5.499 9.100 ( 3.231 0.128 5.277) 6.189 9.261 ( -3.961 -7.086 6.187) 10.207 9.466 ( -0.161 -2.943 7.722) 8.265 9.589 ( 1.779 -6.264 -1.572) 6.699 9.911 ( 5.568 -1.846 -5.798) 8.248 10.643 ( -2.488 -2.197 -0.203) 3.325 10.695 ( -4.725 -8.327 -1.359) 9.670 10.904 ( 10.670 -6.675 0.052) 12.586 11.049 ( 10.668 -8.189 -1.777) 13.565 11.574 ( -11.941 2.634 -1.843) 12.366 11.800 ( -1.757 -3.107 -3.322) 4.876 12.033 ( -6.086 4.114 1.828) 7.570 12.202 ( -15.501 7.023 8.652) 19.091 12.710 ( 8.580 10.161 -3.663) 13.794 12.918 ( -11.429 -2.708 5.320) 12.894 13.618 ( 16.650 6.237 -4.307) 18.294 13.875 ( 6.323 4.597 -2.266) 8.139 14.433 ( 0.249 -3.059 -4.722) 5.632 14.581 ( 0.744 7.494 1.571) 7.693 15.218 ( 0.072 0.104 2.019) 2.022 15.455 ( 1.697 -1.017 -2.481) 3.173 15.530 ( 4.624 -0.481 -2.339) 5.204 15.634 ( 7.066 2.656 -10.773) 13.154 16.827 ( -3.488 -4.311 0.638) 5.582 17.056 ( 3.763 -6.734 1.286) 7.820 18.780 ( -11.343 -7.678 6.714) 15.255 18.904 ( -14.809 -12.787 13.086) 23.539 19.135 ( -4.320 -0.146 -3.781) 5.743 19.259 ( 1.821 -1.735 1.376) 2.867 19.417 ( -2.839 -3.925 -1.736) 5.146 19.662 ( 2.016 -4.756 3.848) 6.441 19.688 ( -2.089 -1.775 0.321) 2.760 19.988 ( 4.198 -0.406 -3.633) 5.567 20.157 ( 8.330 -9.722 -0.314) 12.807 20.286 ( 6.671 3.049 1.210) 7.434 20.596 ( -8.195 3.808 0.083) 9.037 20.699 ( -0.829 -2.746 3.382) 4.435 20.913 ( -1.928 2.083 -1.057) 3.029 21.055 ( -0.019 1.872 3.768) 4.207 21.121 ( -0.759 1.927 0.278) 2.090 21.339 ( 0.470 -2.140 -4.219) 4.754 21.577 ( -0.201 -0.688 -0.198) 0.743 21.690 ( 8.675 0.011 -2.224) 8.955 21.856 ( -1.217 3.239 -3.247) 4.746 22.055 ( 3.420 2.838 -5.951) 7.428 22.966 ( -2.346 5.070 6.583) 8.634 23.176 ( -8.984 7.301 2.641) 11.874 23.335 ( 6.500 4.877 -4.511) 9.294 23.704 ( 6.623 5.399 -4.667) 9.737 27.220 ( -6.757 -1.578 5.095) 8.609 27.348 ( -8.431 -1.048 6.853) 10.915 27.592 ( 5.774 1.504 -2.168) 6.348 27.892 ( 6.707 3.032 -4.270) 8.509 31.827 ( -2.013 -1.984 -1.332) 3.125 31.875 ( -2.004 -1.939 0.380) 2.814 31.931 ( 1.536 -1.640 -0.535) 2.310 31.987 ( 1.465 -0.815 0.756) 1.839 35.747 ( -3.376 5.267 0.166) 6.259 35.968 ( 5.100 2.706 1.309) 5.920 36.286 ( -13.618 13.122 -0.072) 18.912 37.229 ( 16.535 14.933 -7.359) 23.464 39.086 ( -4.850 0.466 0.464) 4.895 39.355 ( 1.601 2.370 -3.277) 4.349 39.729 ( -1.014 -4.343 3.283) 5.538 40.082 ( 7.622 -3.115 -4.854) 9.558 41.551 ( -4.131 4.536 1.784) 6.389 41.641 ( -0.740 -1.638 4.812) 5.137 41.743 ( 0.367 2.647 2.657) 3.768 41.833 ( 3.239 1.327 1.892) 3.979 43.145 ( -3.931 -3.719 3.571) 6.483 43.332 ( -6.145 -3.706 -8.633) 11.226 44.544 ( -7.595 -15.302 12.484) 21.159 45.215 ( 0.921 -17.214 -8.915) 19.408 ======================= Grid point 168 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -17.114 0.000 13.298) 21.674 2.230 ( 5.684 -0.000 2.001) 6.026 2.405 ( 8.246 -0.000 -0.629) 8.270 2.602 ( -5.309 0.000 -1.116) 5.425 2.735 ( -3.324 0.000 -7.142) 7.878 3.035 ( 3.662 -0.000 0.713) 3.731 3.086 ( -1.103 0.000 2.815) 3.024 3.201 ( 11.343 -0.000 15.797) 19.448 3.518 ( 6.738 -0.000 -14.648) 16.124 3.851 ( -11.253 0.000 0.120) 11.254 4.030 ( 12.267 -0.000 -1.185) 12.324 4.156 ( -9.149 0.000 -16.953) 19.264 4.457 ( 6.513 -0.000 4.596) 7.972 4.482 ( 3.651 -0.000 -6.974) 7.872 4.668 ( -0.684 0.000 5.462) 5.505 4.806 ( -11.844 0.000 -9.438) 15.144 5.589 ( 1.943 -0.000 24.864) 24.940 5.736 ( 2.686 -0.000 1.570) 3.111 6.086 ( 4.321 -0.000 7.727) 8.854 6.093 ( 0.340 -0.000 -8.208) 8.215 6.392 ( 8.015 -0.000 -2.190) 8.309 6.519 ( 6.061 -0.000 -7.491) 9.636 6.554 ( 0.356 -0.000 -2.397) 2.423 6.943 ( -16.751 0.000 -2.899) 17.000 7.058 ( -15.471 0.000 1.739) 15.568 7.272 ( -7.476 0.000 11.125) 13.404 7.307 ( 0.576 -0.000 4.723) 4.758 7.417 ( 3.122 -0.000 1.791) 3.600 7.654 ( 0.602 -0.000 -3.069) 3.128 7.802 ( 1.963 -0.000 -0.160) 1.969 7.977 ( 5.796 -0.000 5.613) 8.068 8.023 ( 12.933 -0.000 -13.778) 18.897 8.564 ( -3.587 0.000 5.035) 6.182 8.690 ( 3.310 -0.000 -1.596) 3.675 8.959 ( -0.122 0.000 1.619) 1.623 9.014 ( -11.429 0.000 12.870) 17.212 9.126 ( -3.686 0.000 -9.791) 10.462 9.358 ( 3.135 -0.000 1.052) 3.307 9.620 ( 11.216 -0.000 -12.717) 16.956 9.719 ( -12.675 0.000 -14.099) 18.959 10.472 ( 12.476 -0.000 5.379) 13.586 10.623 ( -7.511 0.000 -2.545) 7.930 10.711 ( 6.103 -0.000 4.342) 7.490 10.817 ( -6.267 0.000 -0.498) 6.287 11.249 ( 2.928 -0.000 6.592) 7.213 11.457 ( 0.944 -0.000 -2.350) 2.532 12.122 ( 3.402 -0.000 3.418) 4.822 12.233 ( -7.919 0.000 -0.609) 7.942 13.345 ( -10.405 0.000 2.773) 10.769 13.416 ( 10.820 -0.000 1.437) 10.915 13.796 ( 9.204 -0.000 -0.310) 9.209 13.920 ( -14.308 0.000 -3.707) 14.781 14.463 ( 6.864 -0.000 6.926) 9.752 14.631 ( 2.030 -0.000 -0.608) 2.119 15.114 ( -4.318 0.000 2.767) 5.129 15.382 ( 7.562 -0.000 -7.684) 10.781 15.391 ( -0.908 0.000 3.311) 3.433 15.535 ( 7.480 -0.000 -3.325) 8.185 16.682 ( -0.258 0.000 2.529) 2.542 16.811 ( -0.351 0.000 -2.700) 2.722 18.734 ( -15.518 0.000 11.262) 19.174 18.802 ( -13.450 0.000 3.252) 13.838 18.889 ( 14.095 -0.000 -2.511) 14.317 19.228 ( 3.637 -0.000 -8.191) 8.962 19.345 ( -0.303 0.000 -2.612) 2.630 19.401 ( 3.158 -0.000 -3.792) 4.935 19.617 ( 4.870 -0.000 1.532) 5.105 19.650 ( -4.990 0.000 -0.280) 4.997 20.302 ( 7.275 -0.000 0.580) 7.298 20.337 ( -10.079 0.000 -0.902) 10.119 20.546 ( -0.940 0.000 0.247) 0.971 20.548 ( 0.487 -0.000 0.915) 1.036 20.925 ( 0.496 -0.000 2.109) 2.166 21.107 ( -1.389 0.000 -3.480) 3.747 21.229 ( -0.854 0.000 3.337) 3.445 21.251 ( 2.762 -0.000 -0.132) 2.765 21.567 ( 2.260 -0.000 -1.883) 2.942 21.568 ( -1.136 0.000 -0.155) 1.146 22.016 ( -1.438 0.000 -2.040) 2.496 22.019 ( 3.781 -0.000 -0.434) 3.805 23.178 ( -4.250 0.000 9.501) 10.409 23.602 ( -6.437 0.000 5.434) 8.423 23.615 ( 0.827 -0.000 -9.619) 9.655 23.736 ( 9.564 -0.000 -1.331) 9.656 27.357 ( -7.971 0.000 2.404) 8.326 27.485 ( 6.664 -0.000 -3.115) 7.356 27.670 ( -11.428 0.000 2.455) 11.688 27.767 ( 10.185 -0.000 -1.852) 10.352 31.767 ( -0.296 0.000 1.230) 1.265 31.811 ( 1.889 -0.000 2.162) 2.871 31.823 ( 0.539 -0.000 -1.503) 1.597 31.902 ( -1.534 0.000 -1.564) 2.190 36.004 ( 1.306 -0.000 3.214) 3.469 36.163 ( -4.941 0.000 -6.531) 8.189 37.221 ( 19.336 -0.000 6.444) 20.382 37.276 ( -11.103 0.000 -0.284) 11.106 39.237 ( 2.411 -0.000 1.741) 2.974 39.274 ( 2.563 -0.000 -1.200) 2.830 39.554 ( -6.029 0.000 3.749) 7.100 39.782 ( 3.184 -0.000 -7.041) 7.728 41.381 ( 0.117 -0.000 6.581) 6.582 41.649 ( -3.826 0.000 0.924) 3.936 41.962 ( -1.006 0.000 -1.073) 1.471 41.996 ( -2.550 0.000 -7.250) 7.686 43.538 ( 18.623 -0.000 -0.428) 18.628 43.551 ( -17.079 0.000 -1.161) 17.118 44.004 ( -22.058 0.000 4.700) 22.553 44.166 ( 22.083 -0.000 -2.699) 22.248 ======================= Grid point 169 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -19.841 -7.812 12.738) 24.838 2.297 ( 1.637 12.446 -3.987) 13.171 2.362 ( 3.938 0.208 1.606) 4.258 2.636 ( 0.119 -2.272 7.700) 8.029 2.787 ( 5.373 -11.623 -5.667) 14.002 3.054 ( -0.794 1.802 1.355) 2.390 3.123 ( 3.001 -4.618 1.881) 5.820 3.435 ( 11.148 -1.113 -6.799) 13.105 3.577 ( 7.538 -0.457 11.080) 13.409 3.704 ( -11.328 -3.378 -6.175) 13.336 3.838 ( -12.479 5.377 -17.109) 21.848 4.146 ( 8.220 3.878 0.419) 9.098 4.459 ( -0.430 1.456 2.522) 2.944 4.542 ( -12.986 3.895 -5.828) 14.757 4.596 ( 6.031 2.591 0.778) 6.610 4.691 ( 1.879 -3.866 -4.228) 6.029 5.693 ( -1.386 7.545 8.889) 11.741 5.752 ( 2.345 3.917 3.183) 5.565 6.030 ( -2.241 2.657 1.954) 3.987 6.130 ( -3.709 0.872 2.736) 4.691 6.332 ( -11.991 14.137 -10.923) 21.516 6.450 ( 4.132 0.880 -2.258) 4.790 6.603 ( -3.409 3.352 -2.893) 5.588 6.678 ( 0.436 -3.434 -0.675) 3.527 6.921 ( -9.625 3.098 11.211) 15.098 7.145 ( -15.468 10.716 11.794) 22.207 7.341 ( 0.314 2.351 10.152) 10.425 7.449 ( -3.110 -4.339 0.737) 5.389 7.585 ( 2.132 7.894 -7.491) 11.089 7.821 ( -2.398 -2.456 -2.466) 4.227 7.950 ( -0.941 5.448 -2.479) 6.059 8.125 ( 9.808 -5.507 -13.130) 17.289 8.577 ( -2.339 -3.352 5.832) 7.122 8.736 ( 2.713 -0.236 -0.394) 2.751 8.984 ( -6.283 -5.022 4.560) 9.246 9.025 ( 2.893 -3.514 2.436) 5.162 9.097 ( -0.064 -0.052 3.622) 3.623 9.401 ( -1.143 2.660 1.885) 3.455 9.482 ( -6.790 -2.857 -8.874) 11.533 9.724 ( 14.654 -2.427 -11.585) 18.837 10.513 ( -6.274 -1.284 -4.358) 7.746 10.659 ( 7.349 0.847 2.468) 7.798 10.754 ( 0.245 -1.698 -1.812) 2.496 10.850 ( 8.267 -0.356 5.021) 9.679 11.397 ( 6.931 -5.527 6.045) 10.729 11.501 ( 4.517 -5.425 -6.425) 9.545 12.113 ( -5.482 1.094 2.801) 6.253 12.260 ( 5.345 -4.620 3.205) 7.758 13.156 ( -16.609 6.083 3.595) 18.049 13.382 ( -5.977 15.542 0.001) 16.651 13.749 ( -5.758 -6.228 -6.260) 10.542 13.858 ( 4.104 4.485 2.680) 6.643 14.527 ( 2.122 5.965 3.930) 7.452 14.683 ( 5.080 -1.975 -2.457) 5.978 15.116 ( 0.179 -1.217 4.089) 4.270 15.407 ( -0.065 -0.988 2.299) 2.504 15.445 ( 9.396 -0.850 -8.546) 12.729 15.635 ( 10.922 -1.004 -6.553) 12.776 16.717 ( 0.390 -1.717 2.686) 3.211 16.820 ( 3.634 -1.968 -2.764) 4.972 18.618 ( -17.567 -4.038 8.184) 19.796 18.679 ( -11.574 -1.987 8.128) 14.282 19.102 ( 14.462 -4.555 -0.559) 15.173 19.207 ( -0.561 -0.552 -6.092) 6.143 19.332 ( 0.218 0.572 -0.928) 1.112 19.441 ( 5.975 -1.471 -4.335) 7.527 19.607 ( -2.818 -2.567 -0.969) 3.933 19.715 ( 7.165 -2.573 1.037) 7.683 20.182 ( -9.839 2.847 -0.903) 10.282 20.369 ( 6.165 3.544 1.874) 7.354 20.550 ( -1.383 -1.899 0.576) 2.419 20.596 ( 1.515 -4.049 0.527) 4.355 20.952 ( 0.109 -0.008 2.894) 2.897 21.062 ( -1.534 -0.312 -3.618) 3.942 21.233 ( -0.594 1.016 1.835) 2.180 21.290 ( 2.609 -0.600 -0.010) 2.677 21.559 ( -0.199 -0.465 -0.755) 0.908 21.595 ( 4.339 0.017 -1.509) 4.594 21.955 ( -3.882 1.112 -1.794) 4.418 22.060 ( 2.751 -0.646 -1.380) 3.145 23.177 ( -4.410 3.027 10.214) 11.530 23.508 ( -9.499 2.886 2.166) 10.161 23.534 ( -0.069 3.284 -7.709) 8.380 23.818 ( 7.465 2.501 -1.767) 8.069 27.263 ( -8.636 0.373 2.929) 9.127 27.514 ( -12.298 1.971 2.416) 12.687 27.553 ( 5.760 -0.383 -2.659) 6.356 27.882 ( 9.631 0.782 -1.201) 9.737 31.779 ( -0.129 -1.041 0.913) 1.390 31.834 ( 1.422 -1.085 -0.969) 2.034 31.861 ( 1.361 0.019 0.664) 1.515 31.886 ( 1.240 -1.777 -0.751) 2.293 36.017 ( -1.681 3.349 2.507) 4.509 36.047 ( -3.801 1.604 -2.558) 4.854 37.015 ( -17.316 9.230 -1.725) 19.698 37.464 ( 16.442 4.669 2.090) 17.220 39.216 ( -4.565 2.555 -0.900) 5.308 39.299 ( 1.125 -3.516 -0.822) 3.782 39.575 ( 1.157 -2.024 3.976) 4.609 39.823 ( 7.189 -3.830 -5.954) 10.089 41.461 ( 0.624 -2.323 10.001) 10.287 41.610 ( -3.234 -1.758 -2.158) 4.267 41.893 ( -1.997 4.467 -1.504) 5.119 41.940 ( -0.878 0.960 -2.528) 2.843 43.292 ( -16.773 1.721 -4.933) 17.568 43.584 ( -5.177 12.700 0.845) 13.741 43.955 ( 1.996 -13.638 6.171) 15.101 44.495 ( 17.907 -11.792 -3.658) 21.750 ======================= Grid point 170 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -20.040 -7.151 14.963) 26.012 2.084 ( -10.450 4.665 2.928) 11.813 2.428 ( 1.720 1.604 5.382) 5.873 2.699 ( -3.333 0.298 3.641) 4.944 2.890 ( 1.358 -3.033 -2.512) 4.166 3.043 ( 4.321 3.723 -12.442) 13.687 3.231 ( 0.331 -1.321 3.893) 4.125 3.442 ( -2.928 -0.160 -7.995) 8.516 3.506 ( -5.771 -1.638 -8.164) 10.131 3.643 ( -2.127 -4.699 -11.495) 12.600 3.765 ( 5.320 -1.944 6.204) 8.400 4.109 ( -1.568 7.256 0.576) 7.446 4.304 ( -3.485 6.259 -4.013) 8.212 4.476 ( 1.741 3.330 5.525) 6.682 4.588 ( -1.177 -1.829 -0.484) 2.229 4.805 ( 8.772 0.071 1.520) 8.903 5.501 ( -8.108 13.953 -1.992) 16.260 5.716 ( -3.742 10.355 1.443) 11.104 5.786 ( -11.544 10.955 -3.072) 16.208 5.994 ( -5.013 5.313 1.086) 7.385 6.180 ( 0.031 -5.583 -4.672) 7.280 6.490 ( 1.072 -1.929 -2.443) 3.292 6.518 ( -1.076 1.537 -0.982) 2.118 6.678 ( -1.393 8.824 8.157) 12.097 6.880 ( -7.613 8.111 9.697) 14.757 6.978 ( 2.906 -0.282 3.354) 4.446 7.374 ( -3.729 3.373 1.435) 5.229 7.460 ( -10.433 -8.553 6.129) 14.818 7.480 ( 8.345 5.923 -3.029) 10.673 7.777 ( -2.398 -1.176 -2.130) 3.417 7.857 ( -1.981 3.766 -3.950) 5.806 8.209 ( 3.915 -7.486 -10.702) 13.634 8.638 ( -2.892 -1.525 5.848) 6.699 8.734 ( 0.849 4.248 1.100) 4.469 8.986 ( -4.557 -1.908 -0.717) 4.992 9.037 ( -1.270 -1.426 -4.636) 5.014 9.193 ( 0.842 -0.902 10.079) 10.155 9.338 ( -0.810 -4.142 3.486) 5.474 9.523 ( 3.635 -1.097 1.604) 4.122 9.837 ( 9.268 -2.529 -9.419) 13.454 10.466 ( -1.308 -6.030 -4.506) 7.640 10.642 ( -2.916 1.653 0.823) 3.452 10.855 ( 9.077 -0.359 -1.425) 9.195 10.977 ( 8.305 1.313 4.382) 9.481 11.540 ( 0.427 -3.043 -4.902) 5.785 11.618 ( 6.686 -7.202 1.129) 9.892 12.082 ( -2.492 -0.927 1.993) 3.323 12.397 ( -0.015 1.849 5.662) 5.956 12.857 ( -14.117 5.804 2.233) 15.426 13.074 ( -7.745 14.299 -1.447) 16.326 13.720 ( -3.380 -2.415 -0.457) 4.179 13.904 ( 6.569 0.106 -2.322) 6.968 14.468 ( -0.089 5.768 -1.104) 5.873 14.722 ( 3.918 2.508 -2.043) 5.081 15.194 ( 2.969 -1.601 3.957) 5.199 15.432 ( 0.838 -1.078 -0.375) 1.416 15.515 ( 8.967 -0.301 -6.071) 10.833 15.698 ( 9.340 2.027 -10.291) 14.044 16.759 ( 0.520 -1.145 2.603) 2.891 16.911 ( 6.276 -4.472 -2.115) 7.992 18.533 ( -15.787 -9.388 4.107) 18.821 18.674 ( -11.458 -5.220 15.504) 19.973 19.147 ( -1.484 0.913 -4.686) 5.000 19.284 ( 7.259 0.846 -0.295) 7.315 19.330 ( -0.892 -2.307 -0.655) 2.558 19.511 ( 3.809 -4.902 -0.185) 6.211 19.634 ( 1.744 -3.338 -1.539) 4.068 19.901 ( 11.730 -7.203 0.282) 13.767 20.030 ( -6.682 1.969 -1.847) 7.206 20.406 ( 5.661 4.722 2.174) 7.686 20.566 ( -2.512 -3.086 1.705) 4.329 20.663 ( 0.691 -2.375 1.290) 2.789 20.940 ( -2.177 1.473 -0.103) 2.630 21.048 ( -0.436 -1.618 0.072) 1.678 21.206 ( -1.894 2.887 1.041) 3.607 21.316 ( 1.718 0.142 -2.069) 2.693 21.562 ( 0.090 -0.714 -0.602) 0.938 21.661 ( 6.648 -1.284 -1.325) 6.900 21.876 ( -5.050 -0.440 -2.685) 5.736 22.089 ( 3.663 0.103 -3.035) 4.758 23.129 ( -4.869 6.499 8.854) 12.014 23.332 ( -12.415 4.588 1.683) 13.342 23.454 ( 3.238 4.088 -4.959) 7.196 23.834 ( 5.127 4.276 -3.856) 7.710 27.182 ( -8.846 -1.355 3.391) 9.570 27.355 ( -12.030 1.116 3.339) 12.534 27.618 ( 7.012 0.586 -1.148) 7.129 27.965 ( 8.169 2.417 -1.529) 8.655 31.791 ( -0.514 -0.685 -0.301) 0.908 31.846 ( -0.266 -0.352 -0.517) 0.680 31.880 ( 1.924 -2.214 -1.196) 3.168 31.953 ( 3.048 -1.635 1.197) 3.660 35.892 ( -5.894 5.181 -0.591) 7.870 36.028 ( 0.412 2.414 3.105) 3.955 36.626 ( -19.027 12.046 -2.516) 22.660 37.551 ( 14.401 10.659 -4.072) 18.373 39.117 ( -4.811 2.098 -0.100) 5.250 39.334 ( -1.293 -4.069 -3.843) 5.744 39.655 ( 3.413 -1.538 4.070) 5.530 39.954 ( 8.384 -6.130 -4.835) 11.456 41.581 ( -2.476 -2.307 -3.570) 4.919 41.586 ( 1.008 -1.667 12.790) 12.937 41.822 ( -1.036 3.933 3.817) 5.578 41.898 ( 0.044 2.343 -1.435) 2.747 43.045 ( -15.717 -3.133 -8.542) 18.160 43.345 ( -14.530 4.080 4.296) 15.691 44.244 ( 9.979 -9.541 5.708) 14.940 44.809 ( 11.318 -13.511 -6.456) 18.771 ======================= Grid point 171 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -20.834 4.413 11.046) 23.990 2.081 ( -14.614 -14.455 9.731) 22.742 2.462 ( -4.126 -0.664 7.523) 8.606 2.521 ( -10.887 14.851 0.498) 18.421 2.777 ( -6.778 8.031 -17.611) 20.508 2.963 ( 9.832 -1.213 -9.928) 14.025 3.137 ( -4.614 7.914 1.048) 9.221 3.338 ( -6.444 0.365 1.233) 6.572 3.476 ( -2.958 -2.064 -6.391) 7.338 3.674 ( 3.434 -9.181 -3.855) 10.533 3.940 ( 8.107 -7.870 0.256) 11.302 4.090 ( 2.618 2.761 4.470) 5.870 4.178 ( 0.608 3.296 -7.922) 8.602 4.487 ( 1.769 -0.156 -1.388) 2.254 4.661 ( 1.765 -0.908 9.256) 9.467 4.859 ( 3.287 6.229 -0.169) 7.045 5.239 ( -4.811 8.949 5.683) 11.642 5.463 ( -5.988 4.354 -5.833) 9.425 5.710 ( 2.262 7.671 5.217) 9.549 5.773 ( -9.281 11.906 -5.261) 15.986 6.235 ( 1.301 -8.199 -8.648) 11.988 6.505 ( 0.939 0.804 5.854) 5.983 6.520 ( 1.131 -3.022 -3.689) 4.901 6.636 ( 0.628 4.407 4.796) 6.544 6.819 ( -2.145 0.888 4.732) 5.271 7.034 ( 6.075 5.339 -2.145) 8.367 7.250 ( -9.393 -4.191 -3.145) 10.756 7.426 ( 0.255 1.572 -9.519) 9.652 7.601 ( 1.202 -1.731 13.547) 13.710 7.767 ( 0.893 0.232 0.582) 1.091 7.801 ( -0.352 -2.239 0.532) 2.328 8.215 ( -3.541 -0.617 -4.769) 5.972 8.604 ( -1.192 -0.659 -3.167) 3.448 8.656 ( -3.310 9.731 3.933) 11.006 8.932 ( -2.280 3.835 0.846) 4.541 9.047 ( -3.017 -9.017 -2.764) 9.902 9.279 ( 3.352 1.203 8.514) 9.229 9.459 ( 0.224 -3.633 5.636) 6.710 9.582 ( 4.027 -1.424 0.572) 4.310 9.908 ( 6.139 -3.901 -2.993) 7.865 10.566 ( -1.669 0.305 -3.956) 4.304 10.568 ( -0.364 -6.818 -0.088) 6.829 10.958 ( 7.487 -2.307 0.038) 7.834 11.136 ( 12.231 -3.635 1.677) 12.869 11.470 ( -5.741 2.366 -3.057) 6.921 11.754 ( 2.139 -1.206 -1.918) 3.116 12.035 ( -2.859 4.820 1.488) 5.798 12.164 ( -17.147 12.876 4.215) 21.854 12.804 ( -5.141 -1.935 1.796) 5.779 12.913 ( 8.384 5.462 -3.080) 10.469 13.730 ( -2.216 -2.431 3.532) 4.826 13.969 ( 5.470 -0.310 -2.833) 6.168 14.402 ( 2.456 1.333 -4.850) 5.598 14.696 ( 1.815 5.544 -0.933) 5.908 15.251 ( 1.664 1.009 2.111) 2.871 15.451 ( 0.983 -0.377 -1.371) 1.729 15.579 ( 6.631 0.535 -4.317) 7.931 15.684 ( 6.726 2.952 -10.595) 12.892 16.797 ( 1.048 0.245 3.407) 3.573 17.022 ( 3.261 -5.208 -2.920) 6.803 18.514 ( -12.067 -10.781 3.698) 16.599 18.707 ( -11.289 -4.783 14.387) 18.903 19.103 ( 0.278 0.766 -1.893) 2.061 19.297 ( -2.819 -0.589 -0.918) 3.023 19.336 ( 1.625 -0.262 0.724) 1.798 19.620 ( 0.255 -4.262 1.076) 4.403 19.688 ( 0.749 -1.000 0.993) 1.596 19.984 ( 3.521 -4.412 -3.555) 6.671 20.170 ( 11.561 -9.065 0.616) 14.704 20.418 ( 3.706 5.540 1.870) 6.923 20.561 ( -4.270 1.630 2.926) 5.427 20.685 ( -1.012 -0.813 2.373) 2.705 20.894 ( -1.450 0.486 -2.182) 2.665 21.072 ( -0.444 -1.997 1.350) 2.451 21.137 ( -3.120 3.440 1.577) 4.905 21.302 ( 0.323 0.354 -3.763) 3.793 21.562 ( -1.038 -0.163 0.366) 1.113 21.762 ( 7.510 -1.610 -2.662) 8.129 21.801 ( -4.380 -1.532 -4.620) 6.548 22.086 ( 2.509 3.194 -5.023) 6.460 23.044 ( -3.526 5.524 6.378) 9.145 23.146 ( -9.076 4.151 2.334) 10.249 23.449 ( 5.748 2.809 -1.207) 6.511 23.794 ( 2.891 4.099 -5.912) 7.754 27.120 ( -8.025 -2.257 2.451) 8.689 27.259 ( -8.492 -2.298 5.052) 10.144 27.701 ( 7.655 1.121 1.340) 7.852 27.999 ( 5.413 3.865 -2.412) 7.075 31.777 ( -1.101 -0.434 -1.847) 2.194 31.850 ( 0.271 -0.276 0.334) 0.511 31.921 ( 1.163 -1.708 -0.481) 2.121 32.003 ( 1.470 -0.641 0.730) 1.762 35.762 ( -4.135 4.297 0.284) 5.970 36.042 ( 1.607 0.435 2.740) 3.207 36.254 ( -13.729 9.897 -2.174) 17.064 37.526 ( 11.802 11.266 -8.416) 18.359 39.052 ( -2.648 1.235 0.766) 3.020 39.309 ( -2.994 -2.200 -5.420) 6.571 39.749 ( 3.891 -0.633 3.915) 5.556 40.081 ( 5.633 -4.727 -4.854) 8.811 41.541 ( -2.982 0.662 -0.431) 3.085 41.670 ( -0.158 0.890 7.413) 7.468 41.819 ( -0.116 3.470 3.888) 5.213 41.908 ( 4.079 -0.313 5.108) 6.544 42.847 ( -14.078 -7.962 -13.413) 21.012 43.253 ( -11.788 -5.678 15.736) 20.465 44.476 ( 8.379 -4.561 0.147) 9.541 44.995 ( 2.130 -10.124 -7.610) 12.843 ======================= Grid point 177 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -22.643 0.000 18.328) 29.131 2.434 ( -5.975 0.000 0.648) 6.010 2.482 ( 3.891 -0.000 -10.304) 11.014 2.494 ( 7.394 -0.000 2.296) 7.743 2.834 ( 6.204 -0.000 7.712) 9.898 3.075 ( -5.940 0.000 3.292) 6.791 3.148 ( 9.406 -0.000 -0.137) 9.407 3.455 ( 13.710 -0.000 -20.312) 24.506 3.474 ( -13.033 0.000 -9.308) 16.016 3.541 ( -16.414 0.000 -14.945) 22.199 3.828 ( 6.906 -0.000 20.758) 21.877 4.269 ( 5.960 -0.000 -1.811) 6.230 4.331 ( -14.104 0.000 -4.824) 14.906 4.525 ( 0.824 -0.000 12.023) 12.051 4.569 ( -3.886 0.000 -10.079) 10.802 4.778 ( 7.951 -0.000 6.935) 10.551 5.725 ( -5.157 0.000 -3.127) 6.031 5.837 ( 2.120 -0.000 4.654) 5.114 6.009 ( -18.773 0.000 -5.612) 19.594 6.067 ( -3.943 0.000 -5.394) 6.681 6.114 ( -8.158 0.000 -7.577) 11.134 6.407 ( -3.892 0.000 -3.778) 5.424 6.553 ( -1.532 0.000 -4.264) 4.531 6.779 ( 3.520 -0.000 15.698) 16.088 6.910 ( -9.489 0.000 16.831) 19.321 7.115 ( -15.477 0.000 9.538) 18.180 7.253 ( -17.005 0.000 6.023) 18.040 7.416 ( -7.364 0.000 0.938) 7.424 7.606 ( 2.837 -0.000 -7.836) 8.333 7.699 ( -4.196 0.000 -2.921) 5.112 7.916 ( 0.873 -0.000 -5.057) 5.132 8.122 ( 6.460 -0.000 -13.733) 15.177 8.578 ( 2.305 -0.000 3.688) 4.349 8.795 ( 3.467 -0.000 -0.715) 3.540 8.973 ( -0.561 0.000 9.078) 9.095 9.033 ( -3.505 0.000 -4.268) 5.523 9.140 ( 3.941 -0.000 5.651) 6.889 9.284 ( -3.528 0.000 -0.450) 3.557 9.516 ( 2.132 -0.000 10.980) 11.185 9.817 ( 14.712 -0.000 -13.237) 19.790 10.396 ( -4.257 0.000 -5.879) 7.259 10.693 ( -0.900 0.000 -0.257) 0.936 10.847 ( 12.761 -0.000 -1.417) 12.839 11.010 ( 9.265 -0.000 4.935) 10.497 11.486 ( 6.782 -0.000 -8.975) 11.249 11.523 ( 11.985 -0.000 4.238) 12.712 12.058 ( -2.488 0.000 1.583) 2.949 12.364 ( 6.990 -0.000 6.583) 9.602 12.989 ( -19.336 0.000 3.022) 19.571 13.424 ( -15.068 0.000 -9.375) 17.747 13.502 ( -3.553 0.000 2.008) 4.081 13.916 ( -4.054 0.000 6.402) 7.577 14.638 ( 1.058 -0.000 0.354) 1.116 14.676 ( 4.923 -0.000 -6.179) 7.901 15.170 ( 4.265 -0.000 4.700) 6.347 15.411 ( 0.341 -0.000 1.195) 1.243 15.516 ( 10.970 -0.000 -9.008) 14.194 15.724 ( 11.672 -0.000 -9.901) 15.306 16.753 ( 2.217 -0.000 4.644) 5.146 16.850 ( 7.581 -0.000 -4.546) 8.840 18.412 ( -14.423 0.000 4.030) 14.975 18.610 ( -9.796 0.000 14.476) 17.479 19.166 ( -0.439 0.000 -4.557) 4.578 19.245 ( 11.818 -0.000 -0.133) 11.819 19.326 ( -2.247 0.000 -0.015) 2.247 19.487 ( 7.447 -0.000 -5.371) 9.181 19.551 ( -1.158 0.000 -0.067) 1.160 19.810 ( 9.472 -0.000 0.844) 9.510 20.071 ( -9.894 0.000 -0.110) 9.895 20.462 ( 2.279 -0.000 3.897) 4.515 20.570 ( 3.102 -0.000 -0.208) 3.109 20.573 ( 0.724 -0.000 0.946) 1.191 20.986 ( 0.428 -0.000 3.703) 3.728 21.004 ( -2.322 0.000 -4.058) 4.675 21.243 ( -0.052 0.000 -0.482) 0.485 21.317 ( 1.974 -0.000 0.163) 1.980 21.551 ( 0.288 -0.000 -0.788) 0.839 21.647 ( 5.837 -0.000 -1.958) 6.156 21.868 ( -7.989 0.000 -1.736) 8.175 22.085 ( 3.036 -0.000 -0.706) 3.117 23.218 ( -4.921 0.000 11.629) 12.627 23.394 ( -13.287 0.000 1.718) 13.397 23.507 ( 1.240 -0.000 -7.170) 7.276 23.891 ( 4.682 -0.000 -4.194) 6.285 27.163 ( -9.964 0.000 2.920) 10.383 27.374 ( -13.234 0.000 2.585) 13.484 27.625 ( 7.069 -0.000 -1.470) 7.220 27.997 ( 8.185 -0.000 -1.024) 8.249 31.789 ( 1.205 -0.000 1.378) 1.830 31.842 ( 0.194 -0.000 -3.220) 3.226 31.848 ( 2.089 -0.000 -0.584) 2.169 31.926 ( 3.591 -0.000 1.837) 4.034 35.957 ( -6.382 0.000 -1.661) 6.595 36.070 ( -0.688 0.000 5.268) 5.312 36.793 ( -21.085 0.000 -5.117) 21.697 37.704 ( 14.021 -0.000 -2.086) 14.176 39.188 ( -4.583 0.000 -1.115) 4.717 39.219 ( -2.036 0.000 -3.593) 4.130 39.635 ( 4.211 -0.000 3.608) 5.546 39.861 ( 8.212 -0.000 -3.615) 8.973 41.540 ( -1.850 0.000 -4.455) 4.823 41.559 ( 2.546 -0.000 15.855) 16.058 41.898 ( -1.911 0.000 0.801) 2.072 41.910 ( -1.193 0.000 -2.288) 2.580 43.009 ( -20.593 0.000 -6.094) 21.475 43.431 ( -25.792 0.000 1.481) 25.835 44.098 ( 22.238 -0.000 2.586) 22.388 44.627 ( 15.819 -0.000 -3.044) 16.109 ======================= Grid point 178 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -21.597 -8.220 27.807) 36.155 2.114 ( -17.584 16.900 2.262) 24.494 2.511 ( 0.921 -0.830 -2.883) 3.138 2.664 ( 6.163 -2.032 1.829) 6.743 2.893 ( -13.608 -2.355 -12.216) 18.438 2.966 ( 2.628 3.943 1.208) 4.890 3.187 ( -4.718 2.014 -2.309) 5.626 3.318 ( -0.148 -5.437 -6.756) 8.673 3.390 ( -2.541 -5.691 0.294) 6.239 3.540 ( 16.042 -0.507 -16.880) 23.292 3.937 ( -2.601 8.548 13.324) 16.042 4.147 ( -4.480 1.630 3.092) 5.682 4.292 ( -2.135 2.132 -3.110) 4.333 4.439 ( -3.798 -2.180 -9.120) 10.117 4.636 ( 0.606 -0.973 10.555) 10.617 4.906 ( 4.190 -0.698 4.791) 6.403 5.537 ( -11.728 10.777 2.582) 16.136 5.575 ( -14.760 4.989 -17.482) 23.417 5.861 ( 0.118 2.352 2.227) 3.241 5.954 ( -3.723 2.448 -9.136) 10.164 6.085 ( -4.681 -2.310 2.361) 5.729 6.356 ( -5.894 -7.466 -7.549) 12.144 6.517 ( 1.212 0.164 -2.602) 2.876 6.842 ( -10.086 1.781 7.466) 12.674 6.871 ( -7.436 12.078 12.135) 18.667 6.967 ( -9.271 -7.546 7.925) 14.343 7.198 ( -10.412 -7.968 0.824) 13.137 7.223 ( -12.007 -2.649 -4.143) 12.975 7.695 ( -0.702 -4.294 4.309) 6.124 7.700 ( 9.178 2.122 7.330) 11.936 7.856 ( 0.518 6.617 -7.531) 10.038 8.119 ( 3.804 -5.493 -10.600) 12.530 8.666 ( 3.172 -1.533 3.756) 5.150 8.766 ( -3.639 1.941 -4.396) 6.028 8.872 ( -7.789 1.563 -2.443) 8.311 9.031 ( -1.381 -0.315 4.758) 4.965 9.276 ( 6.064 0.108 8.245) 10.235 9.361 ( 5.813 -3.038 6.293) 9.090 9.620 ( 2.216 1.798 11.491) 11.840 9.872 ( 8.717 0.724 -10.973) 14.033 10.360 ( 0.692 -5.551 -3.982) 6.867 10.676 ( 1.524 4.151 -0.766) 4.488 10.959 ( 8.836 0.241 -3.813) 9.626 11.125 ( 7.218 1.150 1.448) 7.451 11.506 ( 4.733 0.899 -7.123) 8.599 11.711 ( 12.113 -0.256 2.133) 12.302 12.109 ( 5.006 0.306 4.187) 6.533 12.414 ( -8.522 3.827 1.652) 9.487 12.787 ( -9.219 1.427 4.683) 10.438 13.101 ( -4.940 10.499 -8.915) 14.633 13.563 ( -6.732 -11.315 4.535) 13.926 13.890 ( -5.812 -2.161 2.678) 6.755 14.544 ( 0.075 7.504 -5.211) 9.136 14.723 ( 1.901 -3.222 -7.007) 7.943 15.266 ( 5.143 0.341 3.594) 6.283 15.430 ( 0.548 -0.726 0.725) 1.163 15.572 ( 8.257 -0.622 -9.320) 12.468 15.751 ( 7.661 1.713 -13.601) 15.704 16.825 ( 3.860 1.205 6.574) 7.718 16.927 ( 7.656 -2.012 -6.724) 10.386 18.352 ( -5.929 -2.576 9.695) 11.653 18.643 ( -5.964 -0.902 18.810) 19.754 19.125 ( -0.283 0.855 -2.923) 3.058 19.273 ( -5.061 -0.185 -0.792) 5.126 19.362 ( 5.524 -0.628 -2.155) 5.962 19.522 ( 4.331 -0.389 -0.179) 4.352 19.610 ( 3.808 -4.532 -1.435) 6.091 19.949 ( -7.584 0.597 -0.164) 7.610 19.977 ( 11.986 -4.807 -0.209) 12.915 20.521 ( 1.908 -0.318 5.194) 5.542 20.554 ( 1.516 3.043 0.837) 3.501 20.652 ( 1.669 -3.136 1.156) 3.736 20.928 ( -2.622 2.165 -2.240) 4.072 21.023 ( -1.081 -1.675 2.019) 2.838 21.214 ( -1.491 1.999 -1.837) 3.098 21.326 ( 0.506 0.801 -1.546) 1.813 21.556 ( 0.461 -0.349 0.038) 0.580 21.716 ( 6.170 -1.051 -2.111) 6.606 21.753 ( -8.899 -1.577 -1.408) 9.147 22.130 ( 5.563 0.526 -1.526) 5.792 23.193 ( -9.234 4.379 6.356) 12.034 23.228 ( -10.333 2.086 5.245) 11.774 23.483 ( 2.587 0.104 -4.299) 5.019 23.871 ( 1.175 1.786 -8.439) 8.705 27.071 ( -9.690 -1.305 4.005) 10.566 27.239 ( -11.724 0.028 4.579) 12.586 27.706 ( 7.506 -0.289 -1.383) 7.637 28.062 ( 5.543 1.252 -2.827) 6.347 31.796 ( 0.791 1.806 -0.948) 2.187 31.847 ( 1.695 -1.326 -0.114) 2.155 31.880 ( 2.653 -0.478 -0.327) 2.716 31.982 ( 2.704 -0.729 0.779) 2.907 35.858 ( -6.257 2.197 -0.123) 6.633 36.082 ( -1.630 2.071 5.799) 6.369 36.458 ( -19.605 5.100 -5.009) 20.868 37.743 ( 8.232 5.467 -15.906) 18.726 39.103 ( -2.462 2.692 -0.226) 3.655 39.211 ( -2.362 -4.623 -4.081) 6.603 39.724 ( 4.170 -1.649 3.683) 5.802 39.960 ( 6.964 -3.065 -2.511) 8.012 41.506 ( -0.573 -1.958 -4.232) 4.698 41.726 ( 3.540 2.261 15.350) 15.915 41.871 ( -0.970 0.915 5.092) 5.263 41.892 ( -0.847 -0.753 0.056) 1.135 42.725 ( -20.611 -2.119 -2.960) 20.930 43.149 ( -21.966 -2.243 7.581) 23.345 44.392 ( 19.819 -2.061 -2.272) 20.055 44.803 ( 10.459 -4.247 -2.810) 11.633 ======================= Grid point 179 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -27.967 11.823 12.720) 32.921 1.827 ( -16.832 -12.004 24.854) 32.328 2.428 ( -6.205 1.539 -10.767) 12.522 2.564 ( -14.788 9.529 -0.988) 17.620 2.712 ( 3.153 7.247 0.284) 7.909 2.981 ( 4.940 -3.112 -7.319) 9.363 3.159 ( 0.754 0.524 5.877) 5.948 3.343 ( -3.511 0.933 4.430) 5.729 3.429 ( 1.276 8.441 -7.371) 11.279 3.508 ( 3.555 -11.177 -11.120) 16.163 4.015 ( 4.424 -1.536 6.987) 8.412 4.149 ( -5.577 1.703 4.242) 7.212 4.159 ( 4.164 0.063 -6.871) 8.034 4.412 ( -4.491 -5.034 -2.961) 7.367 4.688 ( -1.488 -3.571 0.356) 3.885 4.940 ( 0.624 4.581 -1.012) 4.733 5.323 ( -8.237 1.870 -0.150) 8.448 5.360 ( -0.757 2.107 0.308) 2.260 5.760 ( -3.571 8.736 -10.844) 14.376 5.844 ( -1.835 3.731 6.250) 7.507 6.094 ( -0.729 -5.771 -4.224) 7.189 6.327 ( -10.174 -13.592 -9.716) 19.562 6.544 ( 3.498 -1.244 -1.573) 4.032 6.677 ( -10.795 1.484 4.542) 11.806 6.785 ( -9.249 2.017 5.024) 10.717 6.982 ( -4.880 -5.512 -1.024) 7.433 7.070 ( -9.471 -2.356 1.708) 9.908 7.263 ( -1.776 -6.287 -1.423) 6.686 7.689 ( -0.684 6.900 -6.629) 9.592 7.790 ( 1.572 -5.022 5.722) 7.774 7.893 ( 9.061 1.422 11.276) 14.535 8.142 ( -1.134 -1.465 -4.438) 4.809 8.600 ( -2.159 2.681 -4.132) 5.378 8.757 ( -4.516 7.103 2.794) 8.869 8.804 ( -1.279 -10.866 -2.170) 11.154 9.017 ( -2.699 3.526 4.931) 6.636 9.382 ( 5.114 -0.088 3.218) 6.043 9.516 ( 2.060 1.305 10.519) 10.798 9.652 ( 4.893 4.120 -0.802) 6.447 9.936 ( 6.236 -4.569 2.743) 8.203 10.480 ( 0.864 -8.129 0.912) 8.225 10.599 ( 3.919 6.443 -6.896) 10.219 11.038 ( 8.051 -0.161 -2.478) 8.426 11.224 ( 7.657 -3.714 -1.556) 8.651 11.467 ( 0.345 5.500 -0.701) 5.555 11.796 ( 0.550 6.829 -2.936) 7.453 12.081 ( -2.253 4.979 -0.957) 5.548 12.183 ( -7.275 12.251 4.354) 14.898 12.719 ( -4.052 -2.426 -2.077) 5.159 13.049 ( 11.120 2.163 -4.072) 12.038 13.636 ( -8.554 -6.133 8.063) 13.259 13.912 ( -1.593 -9.042 -1.431) 9.293 14.425 ( -0.705 3.425 -5.525) 6.539 14.695 ( -0.677 -1.313 -8.824) 8.947 15.314 ( 2.642 2.713 1.431) 4.049 15.442 ( -0.686 -0.296 -0.460) 0.878 15.620 ( 6.067 -2.115 -7.035) 9.528 15.701 ( 5.080 1.613 -13.838) 14.829 16.911 ( 4.795 3.373 9.082) 10.810 16.974 ( 4.335 -1.967 -7.817) 9.152 18.428 ( 0.733 0.646 13.032) 13.069 18.716 ( -3.162 2.552 18.344) 18.789 19.110 ( 0.286 0.454 -0.152) 0.558 19.206 ( -5.264 -1.643 -0.523) 5.539 19.391 ( 2.859 0.603 -1.148) 3.139 19.594 ( 1.742 -2.535 1.004) 3.236 19.684 ( 0.086 -1.369 0.775) 1.575 19.917 ( 0.770 -6.747 -2.571) 7.261 20.207 ( 11.147 -8.005 -1.215) 13.777 20.540 ( 2.680 4.744 1.853) 5.756 20.575 ( -0.631 1.540 4.989) 5.259 20.685 ( -0.848 0.094 1.764) 1.959 20.864 ( -1.727 0.688 -2.187) 2.870 21.031 ( -2.247 -2.271 0.253) 3.205 21.140 ( -4.097 2.317 1.115) 4.837 21.286 ( -1.276 1.433 -3.754) 4.216 21.561 ( -0.881 0.760 1.888) 2.218 21.660 ( -7.640 -3.494 -2.171) 8.677 21.808 ( 7.271 -2.218 -4.005) 8.593 22.143 ( 3.231 6.085 -3.599) 7.773 23.057 ( -6.035 0.105 1.607) 6.246 23.138 ( -6.073 5.510 7.342) 11.006 23.511 ( 3.582 -0.984 -1.373) 3.960 23.767 ( -2.689 0.722 -11.864) 12.186 27.018 ( -7.371 -2.383 4.901) 9.166 27.160 ( -9.109 -2.417 6.747) 11.590 27.805 ( 7.944 -1.063 -0.678) 8.043 28.063 ( 2.654 2.336 -5.105) 6.210 31.774 ( 0.884 1.816 -1.217) 2.359 31.881 ( 2.640 1.175 0.725) 2.979 31.916 ( 1.426 -0.976 0.033) 1.729 32.015 ( 0.923 -0.358 0.150) 1.001 35.751 ( -4.903 2.722 0.162) 5.610 36.069 ( -3.333 0.783 4.069) 5.317 36.152 ( -12.087 4.656 -3.371) 13.385 37.601 ( 1.888 1.313 -24.135) 24.245 39.061 ( -0.341 1.762 0.691) 1.923 39.208 ( -1.204 -2.658 -2.789) 4.036 39.812 ( 2.731 -0.945 2.134) 3.592 40.054 ( 3.832 -3.528 -2.764) 5.897 41.504 ( -0.878 -1.630 -1.139) 2.174 41.738 ( -1.163 2.828 3.287) 4.490 41.840 ( -2.408 0.949 -1.773) 3.138 42.020 ( 5.024 -0.423 9.224) 10.512 42.512 ( -18.101 -3.886 1.333) 18.561 43.157 ( -7.318 -9.013 29.828) 32.008 44.563 ( 13.393 0.053 -14.187) 19.510 44.946 ( 6.602 -1.575 2.385) 7.194 ======================= Grid point 186 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -18.256 0.000 38.649) 42.744 2.005 ( -26.568 0.000 6.909) 27.451 2.274 ( -22.830 0.000 -11.639) 25.625 2.708 ( -3.399 0.000 3.112) 4.609 2.785 ( 5.588 -0.000 5.826) 8.073 2.982 ( -4.296 0.000 -5.235) 6.772 3.184 ( 5.957 -0.000 0.873) 6.020 3.256 ( 5.625 -0.000 -14.380) 15.441 3.339 ( -3.357 0.000 7.279) 8.016 3.703 ( 20.614 -0.000 -13.979) 24.907 4.045 ( -10.399 0.000 5.951) 11.982 4.069 ( -6.337 0.000 13.813) 15.198 4.256 ( -7.319 0.000 -11.745) 13.839 4.277 ( -4.031 0.000 -0.209) 4.037 4.605 ( -6.604 0.000 -3.405) 7.430 4.988 ( 5.241 -0.000 0.542) 5.269 5.304 ( -9.103 0.000 -13.459) 16.248 5.529 ( -10.960 0.000 8.604) 13.933 5.785 ( -9.086 0.000 -5.368) 10.553 5.865 ( 1.372 -0.000 -16.207) 16.265 6.054 ( -4.242 0.000 9.062) 10.006 6.114 ( -10.420 0.000 -10.771) 14.986 6.524 ( 3.335 -0.000 -2.091) 3.936 6.695 ( -15.661 0.000 1.303) 15.715 6.801 ( -11.015 0.000 3.705) 11.621 6.951 ( -6.736 0.000 -0.633) 6.766 7.096 ( -8.871 0.000 9.041) 12.667 7.098 ( 1.497 -0.000 5.111) 5.325 7.689 ( 0.705 -0.000 5.663) 5.706 7.877 ( 0.889 -0.000 3.333) 3.450 7.933 ( 8.732 -0.000 2.086) 8.978 8.009 ( 3.449 -0.000 -11.456) 11.964 8.600 ( -9.709 0.000 -4.190) 10.575 8.771 ( -0.293 0.000 -3.480) 3.492 8.782 ( -2.734 0.000 4.343) 5.132 9.046 ( -4.648 0.000 9.557) 10.627 9.432 ( 5.701 -0.000 1.968) 6.031 9.469 ( 9.622 -0.000 8.556) 12.876 9.772 ( 2.799 -0.000 16.335) 16.573 9.889 ( 5.651 -0.000 -11.038) 12.400 10.313 ( 2.509 -0.000 -1.252) 2.804 10.717 ( 0.416 -0.000 -2.573) 2.607 11.016 ( 7.286 -0.000 -6.944) 10.065 11.197 ( 5.526 -0.000 -2.729) 6.163 11.560 ( 5.826 -0.000 -2.254) 6.247 11.890 ( 12.816 -0.000 0.284) 12.819 12.258 ( -17.515 0.000 -4.668) 18.127 12.271 ( 10.931 -0.000 5.142) 12.080 12.700 ( -7.058 0.000 -4.857) 8.567 13.141 ( 6.408 -0.000 0.255) 6.413 13.419 ( -6.256 0.000 4.889) 7.940 13.792 ( -10.045 0.000 4.523) 11.016 14.495 ( -8.511 0.000 -7.597) 11.409 14.651 ( 3.561 -0.000 -13.839) 14.290 15.362 ( 5.419 -0.000 1.990) 5.773 15.440 ( -0.183 0.000 1.972) 1.980 15.560 ( 3.706 -0.000 -11.231) 11.827 15.723 ( 4.121 -0.000 -16.911) 17.405 16.952 ( 6.780 -0.000 -8.531) 10.896 16.961 ( 6.907 -0.000 9.944) 12.108 18.463 ( 6.912 -0.000 18.937) 20.159 18.773 ( 1.331 -0.000 24.262) 24.299 19.110 ( 0.261 -0.000 -2.349) 2.364 19.194 ( -6.193 0.000 -0.563) 6.218 19.378 ( 2.188 -0.000 -4.009) 4.567 19.598 ( 2.525 -0.000 1.012) 2.720 19.599 ( 5.421 -0.000 -2.209) 5.854 19.857 ( -7.603 0.000 1.175) 7.693 20.084 ( 11.105 -0.000 -1.506) 11.207 20.569 ( 1.890 -0.000 4.486) 4.868 20.634 ( 2.028 -0.000 3.510) 4.054 20.657 ( 2.542 -0.000 1.473) 2.938 20.892 ( -2.562 0.000 -1.809) 3.136 21.000 ( -3.816 0.000 1.668) 4.165 21.177 ( -3.494 0.000 -4.476) 5.679 21.313 ( -2.048 0.000 -1.729) 2.680 21.565 ( 0.422 -0.000 0.385) 0.571 21.614 ( -10.026 0.000 2.389) 10.306 21.775 ( 6.897 -0.000 -3.679) 7.816 22.233 ( 11.584 -0.000 -1.459) 11.676 23.054 ( -13.640 0.000 1.183) 13.691 23.237 ( -7.874 0.000 11.537) 13.967 23.478 ( 3.189 -0.000 -5.309) 6.194 23.774 ( -4.677 0.000 -15.511) 16.200 26.983 ( -8.572 0.000 6.971) 11.048 27.135 ( -10.913 0.000 6.727) 12.820 27.779 ( 7.514 -0.000 -3.241) 8.183 28.091 ( 2.725 -0.000 -5.767) 6.378 31.813 ( 1.152 -0.000 -2.241) 2.520 31.874 ( 3.101 -0.000 2.580) 4.034 31.919 ( 3.242 -0.000 -0.069) 3.242 32.011 ( 2.056 -0.000 -0.160) 2.063 35.794 ( -5.984 0.000 0.127) 5.985 36.097 ( -8.216 0.000 6.811) 10.672 36.232 ( -12.036 0.000 -5.004) 13.034 37.592 ( -6.061 0.000 -38.794) 39.264 39.092 ( -1.662 0.000 -0.985) 1.932 39.163 ( 1.660 -0.000 0.446) 1.719 39.774 ( 2.227 -0.000 3.888) 4.481 40.012 ( 5.277 -0.000 -1.164) 5.404 41.463 ( 0.883 -0.000 -4.267) 4.358 41.778 ( -3.617 0.000 -5.645) 6.705 41.868 ( -3.385 0.000 2.975) 4.506 42.008 ( 5.784 -0.000 13.687) 14.859 42.480 ( -19.674 0.000 9.231) 21.732 43.020 ( -8.847 0.000 33.047) 34.211 44.557 ( 15.024 -0.000 -14.296) 20.739 44.929 ( 12.283 -0.000 5.203) 13.339 ======================= Grid point 187 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -34.813 15.787 8.722) 39.208 1.774 ( -15.528 -4.947 35.977) 39.496 2.091 ( -20.738 -15.674 7.361) 27.017 2.617 ( -6.153 14.039 4.751) 16.047 2.853 ( 0.106 6.984 1.781) 7.208 2.930 ( 0.957 -7.056 2.510) 7.550 3.245 ( 6.541 -1.507 -4.745) 8.220 3.284 ( 1.317 -3.617 -7.349) 8.296 3.381 ( 0.933 -4.370 3.671) 5.783 3.597 ( 3.155 16.166 -9.292) 18.912 3.998 ( -10.196 1.251 -2.976) 10.695 4.077 ( -8.500 -3.211 2.774) 9.500 4.182 ( 6.656 -5.956 2.936) 9.403 4.237 ( -7.456 -6.268 -2.781) 10.130 4.557 ( -1.034 -6.411 -5.947) 8.805 4.966 ( 1.817 2.082 -10.281) 10.646 5.150 ( -6.494 -0.218 -9.411) 11.436 5.470 ( 0.518 2.677 10.561) 10.908 5.699 ( -11.266 -9.623 -4.894) 15.604 5.743 ( 0.472 0.961 -17.273) 17.306 5.941 ( -8.831 -1.818 -8.287) 12.246 6.090 ( -3.611 0.486 11.182) 11.761 6.510 ( -7.078 0.268 -3.063) 7.717 6.600 ( 0.744 -2.377 4.943) 5.535 6.699 ( -11.659 -0.797 5.061) 12.735 6.885 ( 0.594 -1.780 -8.495) 8.700 7.037 ( -2.828 3.976 9.731) 10.885 7.194 ( -0.727 -5.884 -0.063) 5.929 7.725 ( -0.147 8.011 -6.721) 10.458 7.797 ( 1.327 -2.927 4.687) 5.683 8.054 ( 1.680 -3.199 1.194) 3.806 8.089 ( 4.590 -1.405 2.806) 5.561 8.455 ( -11.339 -4.811 -2.887) 12.651 8.710 ( -0.483 1.310 -4.495) 4.707 8.797 ( -1.418 0.497 0.862) 1.732 9.052 ( -6.260 0.559 13.542) 14.929 9.475 ( 4.153 3.002 0.734) 5.177 9.640 ( 3.974 0.653 6.187) 7.383 9.788 ( 4.932 7.956 -1.718) 9.517 9.987 ( 5.087 -4.699 8.086) 10.646 10.418 ( 3.855 -7.062 2.440) 8.408 10.631 ( -3.346 3.765 -6.450) 8.184 11.083 ( 7.441 -4.848 -5.591) 10.494 11.264 ( 9.200 -0.378 -3.845) 9.978 11.564 ( -0.697 6.078 2.509) 6.612 11.841 ( -11.187 15.060 -6.521) 19.861 12.082 ( 2.635 -4.034 -1.932) 5.191 12.339 ( 3.264 11.913 -0.830) 12.380 12.606 ( 0.419 -4.950 -8.835) 10.136 13.231 ( 11.827 5.454 1.815) 13.149 13.492 ( -6.439 -10.241 6.625) 13.792 13.749 ( -6.366 -7.573 2.829) 10.289 14.314 ( -12.045 -1.078 -4.850) 13.030 14.592 ( 3.979 -1.984 -15.817) 16.429 15.398 ( 2.957 3.902 -0.581) 4.930 15.428 ( -1.771 1.506 -0.120) 2.328 15.567 ( 2.244 -5.490 -6.385) 8.715 15.646 ( 3.689 -1.376 -16.818) 17.273 16.966 ( 4.876 1.484 -5.158) 7.251 17.136 ( 10.852 2.712 9.900) 14.938 18.695 ( 10.356 6.911 21.091) 24.491 18.947 ( 5.043 7.624 19.687) 21.706 19.107 ( -4.406 2.191 1.798) 5.239 19.143 ( 0.799 -3.815 3.406) 5.177 19.387 ( 1.316 -2.646 -2.360) 3.782 19.618 ( 2.716 0.181 0.821) 2.844 19.669 ( 0.351 -1.751 -0.167) 1.794 19.812 ( -2.596 -5.446 -0.602) 6.063 20.231 ( 8.748 -5.559 -2.924) 10.770 20.598 ( 0.600 1.611 0.215) 1.733 20.676 ( 2.916 4.261 4.555) 6.885 20.698 ( -0.219 0.934 3.710) 3.832 20.843 ( -1.788 1.528 -0.955) 2.539 20.959 ( -4.933 -2.713 -0.020) 5.630 21.076 ( -8.215 -1.703 -1.323) 8.493 21.244 ( -4.720 1.614 -2.323) 5.503 21.533 ( -5.123 -2.296 1.262) 5.754 21.585 ( -0.350 1.154 3.197) 3.417 21.834 ( 6.263 -1.566 -5.870) 8.726 22.291 ( 7.104 12.705 -5.574) 15.587 22.963 ( -4.124 -6.525 0.736) 7.754 23.176 ( -8.145 4.015 9.089) 12.848 23.500 ( 1.472 -3.412 -5.966) 7.029 23.562 ( -8.017 -2.130 -17.830) 19.665 26.971 ( -4.540 -0.902 10.925) 11.865 27.073 ( -9.268 -1.801 9.067) 13.089 27.861 ( 7.687 -2.421 -4.434) 9.199 28.052 ( 0.588 0.909 -8.574) 8.643 31.810 ( 1.885 1.331 -0.745) 2.425 31.927 ( 1.958 0.431 1.729) 2.648 31.954 ( 3.542 0.937 0.026) 3.664 32.021 ( 0.401 0.531 -0.667) 0.942 35.713 ( -4.860 1.236 -0.311) 5.024 35.946 ( -13.500 -0.631 -1.000) 13.552 36.133 ( -2.617 4.178 2.323) 5.450 37.179 ( -18.596 -13.465 -40.759) 46.781 39.072 ( -0.072 0.320 -0.525) 0.619 39.207 ( 3.398 -0.026 0.941) 3.526 39.829 ( 0.423 -0.871 2.959) 3.114 40.057 ( 2.607 -0.775 -1.691) 3.203 41.468 ( 1.170 -2.024 -2.371) 3.329 41.678 ( -6.967 -2.571 -3.918) 8.396 41.821 ( -4.008 2.847 2.052) 5.328 42.072 ( 0.576 -1.111 -4.141) 4.327 42.331 ( -16.474 -0.035 13.911) 21.562 43.543 ( 26.603 1.614 67.513) 72.583 44.554 ( 7.100 0.258 -22.885) 23.962 45.138 ( 13.280 2.589 8.576) 16.019 ======================= Grid point 195 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -34.103 0.000 10.384) 35.649 1.407 ( -33.344 0.000 19.515) 38.635 2.096 ( -6.510 0.000 47.659) 48.101 2.776 ( -1.563 0.000 7.261) 7.427 2.784 ( -9.264 0.000 -0.650) 9.287 2.913 ( -2.125 0.000 5.884) 6.256 3.152 ( 3.616 -0.000 -12.572) 13.082 3.285 ( -2.222 0.000 1.972) 2.971 3.456 ( 9.136 -0.000 0.136) 9.137 3.595 ( -4.035 0.000 -14.636) 15.182 3.844 ( -9.427 0.000 -1.016) 9.482 4.015 ( -1.747 0.000 -0.812) 1.927 4.062 ( -6.114 0.000 -4.015) 7.314 4.168 ( -1.029 0.000 -3.814) 3.950 4.494 ( 0.034 -0.000 -4.078) 4.078 4.938 ( 8.883 -0.000 -11.864) 14.821 5.012 ( -7.922 0.000 -6.751) 10.408 5.435 ( -5.982 0.000 -3.154) 6.762 5.593 ( 1.654 -0.000 9.437) 9.581 5.655 ( 2.439 -0.000 -17.577) 17.746 5.822 ( -3.551 0.000 -6.994) 7.844 6.116 ( -9.201 0.000 13.173) 16.069 6.426 ( -4.140 0.000 3.327) 5.311 6.566 ( -10.962 0.000 4.829) 11.979 6.682 ( 5.051 -0.000 7.085) 8.701 6.875 ( 6.655 -0.000 -9.407) 11.523 7.092 ( 4.165 -0.000 -14.206) 14.804 7.118 ( -5.808 0.000 14.635) 15.745 7.731 ( -5.603 0.000 -5.761) 8.036 7.809 ( 4.382 -0.000 -0.832) 4.460 8.026 ( -0.731 0.000 2.772) 2.866 8.148 ( 0.972 -0.000 0.283) 1.013 8.256 ( -8.991 0.000 -3.725) 9.732 8.660 ( -3.297 0.000 -8.741) 9.342 8.784 ( -2.079 0.000 5.670) 6.039 9.079 ( -8.314 0.000 18.800) 20.556 9.545 ( 3.364 -0.000 -0.506) 3.401 9.695 ( -1.702 0.000 1.226) 2.098 9.876 ( 3.908 -0.000 -5.525) 6.768 10.033 ( -4.613 0.000 4.379) 6.360 10.479 ( 8.403 -0.000 8.765) 12.142 10.579 ( -2.131 0.000 3.887) 4.432 11.079 ( 6.867 -0.000 -5.229) 8.632 11.374 ( 11.927 -0.000 -4.574) 12.774 11.577 ( -7.561 0.000 2.656) 8.014 11.746 ( -12.050 0.000 -8.726) 14.878 12.026 ( -1.068 0.000 -5.476) 5.579 12.399 ( 0.621 -0.000 -14.209) 14.223 12.570 ( 8.421 -0.000 -6.400) 10.577 13.300 ( -10.104 0.000 3.234) 10.609 13.505 ( 11.866 -0.000 2.175) 12.064 13.638 ( -7.530 0.000 5.313) 9.216 14.175 ( -7.096 0.000 8.115) 10.779 14.529 ( 8.741 -0.000 -16.653) 18.808 15.411 ( -2.084 0.000 -0.648) 2.183 15.479 ( 2.089 -0.000 -7.240) 7.536 15.490 ( 2.172 -0.000 0.589) 2.251 15.551 ( 3.284 -0.000 -15.265) 15.614 17.026 ( 5.767 -0.000 -1.277) 5.907 17.379 ( 14.336 -0.000 4.074) 14.903 18.979 ( 1.901 -0.000 6.552) 6.822 19.099 ( 0.089 -0.000 -1.407) 1.410 19.116 ( 3.666 -0.000 16.706) 17.103 19.348 ( 9.875 -0.000 27.702) 29.410 19.362 ( 2.030 -0.000 -1.261) 2.389 19.651 ( 0.448 -0.000 -1.742) 1.798 19.657 ( 2.015 -0.000 0.478) 2.071 19.747 ( -3.160 0.000 4.380) 5.401 20.258 ( 6.021 -0.000 -3.987) 7.221 20.597 ( -0.201 0.000 -3.717) 3.722 20.756 ( -2.839 0.000 5.242) 5.962 20.787 ( 3.149 -0.000 3.504) 4.711 20.833 ( -8.962 0.000 -1.188) 9.040 20.847 ( -0.838 0.000 0.941) 1.260 20.907 ( -7.424 0.000 -1.214) 7.523 21.169 ( -7.212 0.000 -0.971) 7.277 21.490 ( -1.540 0.000 1.738) 2.322 21.616 ( -0.593 0.000 4.155) 4.197 21.836 ( 3.849 -0.000 -8.734) 9.545 22.413 ( -1.192 0.000 -20.146) 20.181 22.810 ( -7.227 0.000 2.664) 7.703 23.142 ( -11.162 0.000 8.886) 14.267 23.280 ( -2.903 0.000 -12.795) 13.120 23.522 ( 9.007 -0.000 -10.342) 13.714 27.025 ( -7.470 0.000 10.616) 12.981 27.060 ( 1.426 -0.000 18.450) 18.505 27.887 ( 6.050 -0.000 -7.621) 9.730 27.989 ( 0.407 -0.000 -10.597) 10.605 31.836 ( 1.876 -0.000 -0.050) 1.876 31.969 ( 0.798 -0.000 0.990) 1.272 31.986 ( 1.921 -0.000 -0.199) 1.931 32.026 ( 0.083 -0.000 -1.736) 1.738 35.660 ( -3.638 0.000 -0.545) 3.679 35.780 ( -9.631 0.000 -1.525) 9.751 36.163 ( -2.919 0.000 3.840) 4.823 36.454 ( -29.783 0.000 -22.281) 37.194 39.074 ( 0.651 -0.000 0.005) 0.651 39.254 ( 3.516 -0.000 -1.313) 3.753 39.856 ( -0.414 0.000 4.444) 4.463 40.061 ( 1.158 -0.000 -2.449) 2.709 41.461 ( 2.960 -0.000 -2.821) 4.089 41.539 ( -9.289 0.000 1.343) 9.385 41.801 ( -4.544 0.000 1.757) 4.872 41.980 ( -3.819 0.000 -8.555) 9.369 42.316 ( -6.465 0.000 21.537) 22.487 44.436 ( 2.446 -0.000 -26.354) 26.467 44.685 ( 62.500 -0.000 59.896) 86.566 45.395 ( 12.782 -0.000 9.458) 15.901 ======================= Grid point 196 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.564 -0.000 -3.889) 3.929 1.430 ( -0.564 0.000 3.889) 3.929 2.618 ( -5.319 0.000 1.678) 5.578 2.618 ( 5.319 -0.000 -1.678) 5.578 2.876 ( 5.457 -0.000 -3.581) 6.527 2.876 ( -5.457 0.000 3.581) 6.527 3.149 ( 1.931 -0.000 -12.235) 12.386 3.149 ( -1.931 0.000 12.235) 12.386 3.529 ( -6.775 0.000 -13.118) 14.765 3.529 ( 6.775 -0.000 13.118) 14.765 3.688 ( -8.436 0.000 -1.494) 8.568 3.688 ( 8.436 -0.000 1.494) 8.568 4.120 ( -8.384 0.000 -10.623) 13.533 4.120 ( 8.384 -0.000 10.623) 13.533 4.514 ( 3.590 -0.000 -27.055) 27.292 4.514 ( -3.590 0.000 27.055) 27.292 5.096 ( 7.122 -0.000 -13.743) 15.479 5.096 ( -7.122 0.000 13.743) 15.479 5.608 ( 2.180 -0.000 -3.610) 4.217 5.608 ( -2.180 0.000 3.610) 4.217 6.214 ( 6.420 -0.000 -30.164) 30.840 6.214 ( -6.420 0.000 30.164) 30.840 6.494 ( 4.817 -0.000 -13.697) 14.520 6.494 ( -4.817 0.000 13.697) 14.520 6.606 ( 1.685 -0.000 -5.576) 5.825 6.606 ( -1.685 0.000 5.576) 5.825 7.237 ( -3.533 0.000 -4.699) 5.879 7.237 ( 3.533 -0.000 4.699) 5.879 7.539 ( -0.983 0.000 -3.776) 3.902 7.539 ( 0.983 -0.000 3.776) 3.902 8.041 ( 0.834 -0.000 -2.653) 2.781 8.041 ( -0.834 0.000 2.653) 2.781 8.278 ( -2.898 0.000 -6.116) 6.768 8.278 ( 2.898 -0.000 6.116) 6.768 9.320 ( -8.846 0.000 -6.425) 10.933 9.320 ( 8.846 -0.000 6.425) 10.933 9.546 ( 12.757 -0.000 -7.677) 14.889 9.546 ( -12.757 0.000 7.677) 14.889 9.729 ( 5.607 -0.000 -5.411) 7.792 9.729 ( -5.607 0.000 5.411) 7.792 11.203 ( 14.150 -0.000 -12.982) 19.203 11.203 ( -14.150 0.000 12.982) 19.203 11.305 ( -0.458 0.000 -23.748) 23.752 11.305 ( 0.458 -0.000 23.748) 23.752 11.431 ( -7.298 0.000 1.923) 7.547 11.431 ( 7.298 -0.000 -1.923) 7.547 11.567 ( -13.925 0.000 -9.588) 16.907 11.567 ( 13.925 -0.000 9.588) 16.907 12.950 ( -15.666 0.000 -2.545) 15.872 12.950 ( 15.666 -0.000 2.545) 15.872 13.543 ( 4.647 -0.000 -2.339) 5.203 13.543 ( -4.647 0.000 2.339) 5.203 14.484 ( 7.960 -0.000 -6.976) 10.584 14.484 ( -7.960 0.000 6.976) 10.584 15.312 ( 7.407 -0.000 -4.109) 8.471 15.312 ( -7.407 0.000 4.109) 8.471 15.479 ( -0.918 0.000 -0.533) 1.062 15.479 ( 0.918 -0.000 0.533) 1.062 17.310 ( -4.675 0.000 -6.827) 8.274 17.310 ( 4.675 -0.000 6.827) 8.274 18.998 ( 0.371 -0.000 -2.509) 2.537 18.998 ( -0.371 0.000 2.509) 2.537 19.524 ( -2.750 0.000 -1.660) 3.213 19.524 ( 2.750 -0.000 1.660) 3.213 19.565 ( 0.290 -0.000 -1.690) 1.714 19.565 ( -0.290 0.000 1.690) 1.714 20.253 ( -0.094 0.000 -16.507) 16.508 20.253 ( 0.094 -0.000 16.507) 16.508 20.382 ( 3.646 -0.000 -3.047) 4.751 20.382 ( -3.646 0.000 3.047) 4.751 20.479 ( -1.104 0.000 -9.138) 9.204 20.479 ( 1.104 -0.000 9.138) 9.204 20.808 ( 3.875 -0.000 -7.540) 8.477 20.808 ( -3.875 0.000 7.540) 8.477 21.059 ( -4.468 0.000 0.017) 4.468 21.059 ( 4.468 -0.000 -0.017) 4.468 21.570 ( -0.781 0.000 -3.624) 3.707 21.570 ( 0.781 -0.000 3.624) 3.707 21.845 ( 0.657 -0.000 -10.213) 10.234 21.845 ( -0.657 0.000 10.213) 10.234 22.961 ( 2.594 -0.000 -11.817) 12.099 22.961 ( -2.594 0.000 11.817) 12.099 23.191 ( 12.064 -0.000 -14.892) 19.165 23.191 ( -12.064 0.000 14.892) 19.165 27.414 ( 0.548 -0.000 -16.324) 16.333 27.414 ( -0.548 0.000 16.324) 16.333 27.687 ( 4.413 -0.000 -15.331) 15.954 27.687 ( -4.413 0.000 15.331) 15.954 31.926 ( -2.157 0.000 -1.321) 2.529 31.926 ( 2.157 -0.000 1.321) 2.529 31.994 ( 0.427 -0.000 -0.561) 0.705 31.994 ( -0.427 0.000 0.561) 0.705 35.633 ( 0.286 -0.000 -0.654) 0.713 35.633 ( -0.286 0.000 0.654) 0.713 36.159 ( -5.080 0.000 1.174) 5.214 36.159 ( 5.080 -0.000 -1.174) 5.214 39.162 ( -1.197 0.000 -3.280) 3.492 39.162 ( 1.197 -0.000 3.280) 3.492 39.981 ( 1.920 -0.000 -4.115) 4.541 39.981 ( -1.920 0.000 4.115) 4.541 41.472 ( 5.574 -0.000 -3.288) 6.471 41.472 ( -5.574 0.000 3.288) 6.471 41.760 ( 2.824 -0.000 -3.211) 4.276 41.760 ( -2.824 0.000 3.211) 4.276 43.335 ( -2.789 0.000 -33.179) 33.296 43.335 ( 2.789 -0.000 33.179) 33.296 45.887 ( -0.242 0.000 -6.263) 6.268 45.887 ( 0.242 -0.000 6.263) 6.268 ======================= Grid point 198 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 4.485 -11.499 -12.505) 17.571 1.846 ( 23.905 -30.489 -10.551) 40.154 2.509 ( 0.084 12.520 -3.753) 13.070 2.688 ( 1.808 -1.445 -1.106) 2.565 2.767 ( -2.650 11.826 10.931) 16.321 2.889 ( 4.057 2.824 0.954) 5.034 3.153 ( -3.240 -8.783 -5.761) 10.992 3.262 ( -2.160 -6.447 5.041) 8.464 3.424 ( -1.821 -7.895 -7.161) 10.813 3.669 ( 0.506 -7.600 4.021) 8.613 3.735 ( 5.049 -3.504 8.616) 10.583 3.793 ( 5.036 4.904 3.763) 7.973 4.029 ( 2.567 -7.207 -6.271) 9.892 4.302 ( 7.919 1.510 -16.511) 18.374 4.324 ( 4.351 -0.663 -4.241) 6.112 4.572 ( -7.779 4.593 19.050) 21.084 5.100 ( -1.531 -2.754 -1.764) 3.611 5.139 ( -2.551 -2.871 10.524) 11.203 5.539 ( -3.134 5.171 0.012) 6.046 5.635 ( 2.376 -0.298 2.811) 3.692 6.081 ( 2.876 -2.466 -28.875) 29.122 6.405 ( 5.855 -5.391 3.816) 8.827 6.480 ( 3.587 -0.235 -0.849) 3.694 6.543 ( 1.843 1.036 5.266) 5.675 6.586 ( -1.594 -0.639 5.065) 5.348 6.627 ( -0.105 -0.401 4.206) 4.226 7.091 ( -5.192 3.405 -7.308) 9.590 7.251 ( 2.812 5.010 2.200) 6.152 7.559 ( 2.490 -1.804 -0.825) 3.183 7.654 ( 3.896 -3.258 6.449) 8.209 8.046 ( -1.407 -2.741 0.229) 3.090 8.107 ( 0.529 -4.316 5.469) 6.987 8.243 ( -2.399 -5.538 -2.946) 6.716 8.409 ( 5.186 -6.565 3.397) 9.030 9.103 ( -5.749 6.365 -13.529) 16.019 9.408 ( 3.075 4.008 6.091) 7.913 9.456 ( -2.586 1.503 -3.538) 4.633 9.649 ( 3.948 3.627 5.765) 7.873 9.752 ( 3.361 -2.515 -2.002) 4.651 9.831 ( 6.701 -3.688 5.485) 9.412 10.834 ( -12.554 15.767 -6.530) 21.186 11.043 ( -8.598 6.556 -14.203) 17.851 11.216 ( 2.131 0.997 -1.168) 2.626 11.279 ( 1.671 9.311 4.818) 10.616 11.417 ( -3.431 -4.116 -0.585) 5.390 11.505 ( -6.762 -5.146 -0.141) 8.499 11.817 ( 16.187 -16.922 8.911) 25.056 11.938 ( 11.606 -11.060 8.696) 18.238 12.683 ( -17.800 5.858 -3.055) 18.987 13.161 ( 15.303 -2.267 2.375) 15.651 13.470 ( -8.826 5.409 6.152) 12.042 13.610 ( 6.110 -1.767 1.236) 6.479 14.390 ( -6.682 1.376 -3.959) 7.888 14.496 ( -0.607 -1.667 -2.835) 3.345 15.263 ( -5.547 -0.231 5.144) 7.569 15.382 ( 6.319 -0.937 -2.681) 6.928 15.456 ( -0.769 0.962 -1.246) 1.752 15.500 ( 1.125 -0.986 0.754) 1.676 17.145 ( -8.268 5.622 -3.875) 10.723 17.346 ( -0.358 5.350 5.778) 7.883 18.994 ( 1.215 0.171 -1.166) 1.692 19.020 ( 0.646 -0.030 2.780) 2.854 19.432 ( -6.414 2.752 -3.699) 7.899 19.532 ( -1.627 0.123 -1.728) 2.377 19.581 ( 1.473 1.205 1.485) 2.414 19.618 ( 2.469 -3.633 1.902) 4.787 19.969 ( -9.821 8.087 -7.842) 14.945 20.140 ( -8.633 12.700 -12.649) 19.895 20.282 ( -4.621 -2.502 3.428) 6.274 20.397 ( 2.796 1.300 2.574) 4.017 20.517 ( 4.206 4.715 3.178) 7.072 20.743 ( 7.680 -7.873 5.580) 12.333 20.806 ( -1.600 -1.355 0.742) 2.224 20.926 ( 9.026 -8.595 -4.034) 13.100 21.006 ( -2.477 -2.990 -2.193) 4.459 21.103 ( 3.697 0.518 -0.407) 3.755 21.558 ( 0.320 -1.637 -2.464) 2.975 21.616 ( 1.909 0.456 3.314) 3.851 21.788 ( -0.038 -0.764 -7.244) 7.285 21.911 ( 0.023 1.070 10.609) 10.663 22.944 ( 5.851 -3.539 -9.458) 11.671 23.008 ( -1.863 0.320 9.506) 9.692 23.178 ( -7.943 -1.085 12.152) 14.558 23.291 ( 10.970 -5.090 -7.389) 14.172 27.318 ( 1.683 0.295 -13.877) 13.982 27.523 ( 0.134 1.663 8.945) 9.099 27.586 ( -0.450 1.981 -7.821) 8.080 27.732 ( -4.046 -1.534 11.812) 12.579 31.887 ( -2.385 0.083 -1.278) 2.707 31.955 ( 1.484 0.669 0.579) 1.728 31.987 ( -0.792 0.971 0.636) 1.406 31.992 ( 0.074 0.008 0.283) 0.293 35.644 ( 0.555 -1.069 0.253) 1.230 35.691 ( 4.210 -4.656 0.226) 6.281 36.134 ( -2.202 -1.131 -0.270) 2.490 36.322 ( 12.214 -12.987 -3.557) 18.180 39.125 ( -2.081 -0.423 -2.186) 3.048 39.204 ( 0.460 -1.561 2.838) 3.271 39.948 ( -0.832 3.145 -1.586) 3.619 40.002 ( 1.876 -0.784 0.498) 2.094 41.450 ( -4.357 -2.894 2.909) 5.985 41.540 ( 6.486 -2.322 -3.224) 7.606 41.755 ( -0.621 1.178 2.762) 3.066 41.794 ( 3.325 -1.001 1.015) 3.618 43.063 ( -1.307 1.084 -32.265) 32.310 43.597 ( 2.658 1.438 31.583) 31.727 45.655 ( -19.603 14.956 1.209) 24.686 45.736 ( -10.193 10.414 -7.243) 16.273 ======================= Grid point 199 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 5.842 -16.370 -18.649) 25.493 2.234 ( 4.306 -11.386 -10.751) 16.241 2.304 ( 2.829 15.288 -6.398) 16.813 2.531 ( -8.991 8.368 -2.302) 12.496 2.778 ( 2.736 7.330 3.090) 8.412 2.924 ( -0.082 -2.382 6.492) 6.916 3.219 ( -0.485 -8.998 -0.250) 9.015 3.298 ( -3.846 -2.899 3.172) 5.767 3.529 ( -2.108 -6.950 -1.208) 7.362 3.682 ( -0.331 -0.333 -7.122) 7.137 3.889 ( 12.461 -1.758 3.442) 13.047 3.949 ( 0.671 -6.423 8.802) 10.917 4.120 ( 12.202 0.318 -23.891) 26.829 4.261 ( 4.601 -7.868 3.151) 9.644 4.529 ( 4.170 -9.210 1.820) 10.273 4.599 ( 2.509 2.189 25.620) 25.836 5.095 ( -6.695 -7.955 -1.856) 10.561 5.248 ( 1.788 -3.031 8.658) 9.346 5.460 ( -2.912 1.816 3.976) 5.252 5.698 ( 3.475 1.810 5.176) 6.491 5.998 ( 7.754 -7.279 -22.552) 24.933 6.398 ( 8.761 4.145 -19.184) 21.493 6.525 ( 0.507 0.509 -3.015) 3.100 6.578 ( 3.578 0.113 7.489) 8.301 6.668 ( 0.916 -1.450 7.662) 7.852 6.831 ( 6.729 -10.823 10.909) 16.776 6.964 ( -5.550 -1.907 -7.209) 9.296 7.248 ( 3.904 3.462 0.187) 5.221 7.603 ( 4.079 -0.835 -3.115) 5.200 7.782 ( 2.987 -3.131 6.947) 8.185 8.075 ( 0.378 -2.439 -0.890) 2.623 8.143 ( -3.739 2.675 7.130) 8.483 8.355 ( -0.917 -12.446 4.681) 13.329 8.579 ( 3.028 -8.762 0.305) 9.276 8.861 ( -2.792 8.744 -10.031) 13.596 9.360 ( -2.411 4.642 -1.929) 5.575 9.415 ( -0.770 2.647 0.527) 2.807 9.604 ( -5.341 7.286 5.733) 10.699 9.808 ( 8.591 2.059 -6.841) 11.174 10.004 ( 6.327 0.802 10.134) 11.974 10.526 ( -6.586 4.630 -7.515) 11.013 10.836 ( -6.104 0.771 -7.175) 9.452 11.215 ( 3.598 6.655 1.665) 7.747 11.231 ( -0.126 1.752 1.640) 2.404 11.415 ( -2.502 -3.426 -3.516) 5.510 11.484 ( -3.742 -1.079 3.214) 5.049 12.147 ( 3.374 0.989 1.609) 3.867 12.175 ( -2.771 -5.761 2.709) 6.943 12.445 ( -2.310 -4.503 4.091) 6.508 13.254 ( -13.927 11.600 7.598) 19.653 13.447 ( 16.250 -6.913 1.344) 17.710 13.763 ( 7.452 -5.410 3.235) 9.760 14.280 ( 3.058 1.915 -9.258) 9.936 14.506 ( -6.364 -7.235 3.062) 10.110 15.260 ( -1.954 -0.446 5.851) 6.185 15.397 ( -1.009 0.793 -3.299) 3.540 15.471 ( 3.845 -0.850 0.399) 3.959 15.542 ( 0.679 -2.201 1.813) 2.932 16.955 ( -6.755 5.345 -0.744) 8.646 17.273 ( -3.320 6.450 1.911) 7.501 18.996 ( -1.245 2.034 1.812) 2.995 19.040 ( 1.193 0.670 -0.625) 1.504 19.204 ( -9.953 10.294 -9.220) 17.031 19.429 ( -6.210 4.946 -3.180) 8.552 19.576 ( -1.301 4.898 3.979) 6.443 19.628 ( -5.890 0.099 -5.353) 7.960 19.824 ( -1.703 1.991 -8.608) 8.998 19.855 ( 1.313 -1.765 -2.942) 3.673 20.296 ( -3.943 -4.008 3.432) 6.587 20.444 ( 5.710 4.398 4.181) 8.332 20.521 ( 2.676 4.732 3.570) 6.504 20.793 ( 0.552 -0.438 -3.009) 3.090 20.816 ( -3.356 0.338 0.856) 3.480 21.015 ( 0.293 -5.395 0.300) 5.411 21.116 ( 3.554 -0.945 -1.830) 4.107 21.179 ( 6.622 -5.357 -4.316) 9.549 21.569 ( 0.142 -1.493 -0.847) 1.723 21.640 ( 2.914 1.811 -0.557) 3.476 21.764 ( -1.987 -2.150 -1.207) 3.167 21.962 ( 1.583 2.384 6.286) 6.906 23.022 ( 1.797 -1.884 -0.730) 2.704 23.122 ( 8.100 -7.371 6.249) 12.609 23.176 ( -5.228 -0.108 7.363) 9.031 23.453 ( 8.022 -6.557 -3.061) 10.803 27.233 ( -0.058 2.147 -9.849) 10.081 27.398 ( -0.856 1.398 -12.653) 12.759 27.678 ( 2.531 -0.013 13.492) 13.728 27.800 ( -2.379 -3.806 8.351) 9.481 31.839 ( -2.794 1.238 -1.309) 3.325 31.947 ( -1.421 1.696 0.641) 2.303 31.954 ( -0.522 1.965 -0.438) 2.080 32.006 ( 0.505 -0.470 0.797) 1.054 35.673 ( 0.839 -1.553 0.405) 1.811 35.838 ( 6.007 -7.143 0.177) 9.335 36.117 ( -1.046 0.073 -0.535) 1.177 36.717 ( 16.200 -20.215 1.624) 25.956 39.087 ( -2.601 0.016 -0.622) 2.675 39.243 ( -0.890 -2.427 0.600) 2.654 39.876 ( -0.578 4.362 -1.086) 4.532 40.043 ( 2.506 -0.908 -0.506) 2.713 41.473 ( -2.955 -4.588 2.578) 6.036 41.638 ( 5.954 -3.513 -2.218) 7.260 41.751 ( 0.714 2.285 1.916) 3.066 41.886 ( 3.947 -2.558 5.453) 7.201 42.824 ( 1.279 1.999 -27.784) 27.885 43.810 ( 0.617 3.252 29.175) 29.362 45.042 ( -28.112 21.342 -15.736) 38.644 45.399 ( -11.566 11.098 -6.893) 17.448 ======================= Grid point 200 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 5.164 -15.529 -15.793) 22.743 2.127 ( 2.169 13.818 0.129) 13.988 2.234 ( -2.122 -0.928 -4.992) 5.503 2.286 ( -9.612 6.482 -3.503) 12.111 2.724 ( 1.251 4.340 -0.142) 4.519 2.977 ( -0.635 1.287 4.853) 5.061 3.279 ( -3.930 0.835 1.040) 4.150 3.331 ( -4.577 -10.912 6.131) 13.327 3.461 ( -4.125 2.038 -3.275) 5.648 3.648 ( 1.959 1.043 -11.349) 11.564 3.959 ( 2.734 1.315 -6.823) 7.467 4.074 ( 5.730 -2.075 4.216) 7.410 4.187 ( 6.433 0.808 6.988) 9.533 4.383 ( 3.201 -1.854 -5.949) 7.005 4.673 ( 0.292 -8.850 0.634) 8.877 4.857 ( 4.671 -0.112 16.961) 17.593 5.150 ( -2.933 -15.076 -4.538) 16.015 5.329 ( 3.290 1.274 1.478) 3.825 5.487 ( -3.203 -0.362 11.169) 11.624 5.765 ( 1.991 -1.606 7.312) 7.746 6.121 ( 11.135 -2.255 -10.590) 15.532 6.356 ( 8.469 -3.757 -11.684) 14.911 6.518 ( 4.331 -0.793 -3.484) 5.615 6.697 ( 4.202 -2.338 7.122) 8.593 6.797 ( 6.399 -3.083 4.881) 8.618 6.870 ( -6.858 -3.673 -7.349) 10.702 7.052 ( 3.183 -6.406 1.275) 7.266 7.259 ( 3.294 1.499 -2.647) 4.483 7.658 ( 5.456 -3.133 -4.369) 7.660 7.894 ( 1.514 -1.534 6.277) 6.637 8.055 ( -6.514 7.399 4.442) 10.812 8.088 ( -0.459 -1.320 -2.367) 2.748 8.519 ( -1.110 -7.898 4.147) 8.989 8.637 ( 0.042 5.440 -0.018) 5.441 8.780 ( 1.177 -7.702 1.735) 7.982 9.199 ( -3.295 7.739 -9.575) 12.745 9.405 ( -2.352 -1.325 5.296) 5.944 9.478 ( -4.129 6.172 3.051) 8.028 9.792 ( 4.154 5.376 -6.276) 9.249 10.098 ( 5.816 5.666 8.071) 11.449 10.403 ( -6.587 -2.690 -6.261) 9.478 10.722 ( -5.381 1.195 -1.464) 5.703 11.181 ( -6.055 -3.266 -3.414) 7.680 11.235 ( 7.963 7.455 4.575) 11.829 11.417 ( 1.513 -1.007 -0.961) 2.056 11.488 ( -1.426 -1.396 1.443) 2.462 11.981 ( -7.178 5.833 -0.768) 9.281 12.164 ( -4.360 0.573 0.932) 4.495 12.671 ( 7.090 -8.736 2.449) 11.514 13.005 ( -10.411 8.097 4.282) 13.867 13.699 ( 12.141 -2.835 -2.916) 12.804 13.913 ( -1.063 -6.459 4.659) 8.035 14.327 ( 13.060 1.739 -3.566) 13.650 14.563 ( -5.468 -9.308 4.587) 11.729 15.298 ( -0.511 -0.103 5.922) 5.945 15.354 ( 0.056 0.080 -3.170) 3.172 15.521 ( 1.053 -0.898 1.066) 1.747 15.590 ( 0.042 -2.072 1.993) 2.875 16.863 ( -2.079 0.687 2.854) 3.597 17.132 ( -5.363 6.758 -3.354) 9.256 18.761 ( -10.194 12.334 -9.628) 18.675 18.951 ( -5.225 5.363 -1.898) 7.725 19.076 ( 3.388 0.739 -0.330) 3.483 19.288 ( -4.108 1.196 -2.781) 5.103 19.468 ( -2.689 3.182 -0.709) 4.226 19.591 ( -0.410 -0.459 -1.576) 1.692 19.760 ( -0.630 0.259 -1.367) 1.527 19.963 ( 2.565 -5.692 0.141) 6.245 20.333 ( -2.356 -5.087 2.357) 6.082 20.454 ( 5.011 9.802 3.358) 11.510 20.541 ( 1.078 -0.650 2.478) 2.779 20.768 ( -1.992 1.094 -0.021) 2.273 20.782 ( -0.581 -1.220 -2.795) 3.105 21.072 ( 0.414 -3.076 -1.766) 3.571 21.148 ( 2.126 0.364 1.756) 2.781 21.216 ( 0.646 -0.133 -4.201) 4.253 21.578 ( -0.641 -0.030 0.857) 1.070 21.660 ( 4.699 -1.104 -5.621) 7.409 21.764 ( -2.994 -1.568 2.865) 4.431 21.983 ( 1.666 1.927 1.634) 3.026 23.054 ( 0.816 -1.073 0.667) 1.504 23.153 ( -3.617 0.619 3.259) 4.907 23.376 ( 7.689 -5.503 7.432) 12.026 23.583 ( 4.109 -4.681 -3.014) 6.920 27.142 ( -0.891 1.132 -5.395) 5.584 27.335 ( 1.168 -0.467 -6.340) 6.464 27.796 ( 2.894 0.324 9.252) 9.700 27.871 ( -1.472 -3.826 3.329) 5.281 31.772 ( -2.428 1.949 -1.334) 3.388 31.892 ( -2.007 2.334 0.348) 3.098 31.939 ( -0.037 0.326 -0.420) 0.533 32.020 ( 0.262 -0.232 0.392) 0.526 35.703 ( 0.662 -1.133 0.309) 1.348 35.987 ( 3.280 -5.823 0.034) 6.683 36.104 ( 0.705 0.958 -0.361) 1.243 37.157 ( 11.225 -14.370 5.674) 19.097 39.056 ( -1.802 0.169 0.444) 1.863 39.236 ( -2.339 -0.743 -1.982) 3.155 39.834 ( 1.046 2.162 0.413) 2.437 40.070 ( 1.314 -0.349 -1.032) 1.707 41.516 ( -1.317 -3.517 1.848) 4.185 41.725 ( 1.639 -1.618 0.171) 2.310 41.751 ( 2.438 0.443 0.451) 2.518 42.016 ( 3.216 -2.795 6.241) 7.556 42.661 ( 3.331 2.095 -17.296) 17.738 43.934 ( -5.689 6.415 27.809) 29.100 44.376 ( -13.346 9.353 -30.111) 34.239 45.113 ( -8.476 7.470 -2.904) 11.665 ======================= Grid point 201 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.000 0.000 0.000) 0.000 2.025 ( -0.000 0.000 -0.000) 0.000 2.160 ( -0.000 0.000 -0.000) 0.000 2.202 ( -0.000 0.000 0.000) 0.000 2.707 ( -0.000 0.000 0.000) 0.000 2.974 ( -0.000 0.000 -0.000) 0.000 3.234 ( -0.000 0.000 -0.000) 0.000 3.393 ( -0.000 0.000 0.000) 0.000 3.445 ( -0.000 -0.000 0.000) 0.000 3.571 ( -0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.137 ( -0.000 0.000 0.000) 0.000 4.281 ( -0.000 0.000 0.000) 0.000 4.352 ( -0.000 0.000 -0.000) 0.000 4.734 ( -0.000 0.000 -0.000) 0.000 4.932 ( -0.000 0.000 0.000) 0.000 5.236 ( -0.000 0.000 0.000) 0.000 5.346 ( -0.000 0.000 0.000) 0.000 5.503 ( -0.000 0.000 -0.000) 0.000 5.843 ( -0.000 0.000 0.000) 0.000 6.114 ( -0.000 0.000 -0.000) 0.000 6.415 ( -0.000 0.000 0.000) 0.000 6.635 ( -0.000 0.000 -0.000) 0.000 6.723 ( -0.000 0.000 0.000) 0.000 6.860 ( -0.000 0.000 0.000) 0.000 6.875 ( -0.000 0.000 -0.000) 0.000 7.131 ( -0.000 0.000 0.000) 0.000 7.233 ( -0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.933 ( -0.000 0.000 -0.000) 0.000 7.944 ( -0.000 -0.000 0.000) 0.000 8.078 ( -0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 8.596 ( -0.000 -0.000 -0.000) 0.000 8.969 ( 0.000 -0.000 0.000) 0.000 8.984 ( -0.000 0.000 -0.000) 0.000 9.420 ( -0.000 -0.000 -0.000) 0.000 9.434 ( -0.000 0.000 -0.000) 0.000 9.742 ( -0.000 0.000 0.000) 0.000 10.142 ( -0.000 0.000 -0.000) 0.000 10.330 ( -0.000 0.000 0.000) 0.000 10.672 ( -0.000 0.000 -0.000) 0.000 11.143 ( -0.000 0.000 0.000) 0.000 11.268 ( -0.000 -0.000 -0.000) 0.000 11.433 ( -0.000 -0.000 0.000) 0.000 11.494 ( -0.000 0.000 0.000) 0.000 11.897 ( -0.000 0.000 0.000) 0.000 12.125 ( -0.000 0.000 0.000) 0.000 12.803 ( -0.000 0.000 0.000) 0.000 12.880 ( 0.000 -0.000 -0.000) 0.000 13.771 ( -0.000 0.000 0.000) 0.000 13.970 ( -0.000 0.000 0.000) 0.000 14.397 ( 0.000 0.000 0.000) 0.000 14.624 ( -0.000 0.000 0.000) 0.000 15.310 ( -0.000 0.000 0.000) 0.000 15.355 ( -0.000 0.000 -0.000) 0.000 15.535 ( -0.000 0.000 -0.000) 0.000 15.612 ( -0.000 0.000 0.000) 0.000 16.925 ( -0.000 0.000 -0.000) 0.000 16.964 ( -0.000 -0.000 0.000) 0.000 18.563 ( -0.000 0.000 0.000) 0.000 18.862 ( -0.000 0.000 0.000) 0.000 19.100 ( -0.000 0.000 0.000) 0.000 19.247 ( -0.000 0.000 -0.000) 0.000 19.433 ( -0.000 0.000 0.000) 0.000 19.585 ( -0.000 -0.000 -0.000) 0.000 19.752 ( -0.000 0.000 0.000) 0.000 20.019 ( -0.000 0.000 0.000) 0.000 20.393 ( -0.000 -0.000 -0.000) 0.000 20.399 ( 0.000 0.000 0.000) 0.000 20.567 ( -0.000 0.000 0.000) 0.000 20.747 ( -0.000 -0.000 -0.000) 0.000 20.775 ( -0.000 0.000 0.000) 0.000 21.083 ( -0.000 0.000 0.000) 0.000 21.178 ( -0.000 0.000 0.000) 0.000 21.191 ( -0.000 0.000 -0.000) 0.000 21.575 ( -0.000 0.000 0.000) 0.000 21.680 ( -0.000 0.000 0.000) 0.000 21.766 ( 0.000 0.000 -0.000) 0.000 21.986 ( -0.000 0.000 0.000) 0.000 23.073 ( -0.000 0.000 0.000) 0.000 23.132 ( -0.000 0.000 0.000) 0.000 23.496 ( -0.000 0.000 0.000) 0.000 23.624 ( -0.000 0.000 -0.000) 0.000 27.111 ( -0.000 0.000 0.000) 0.000 27.324 ( -0.000 0.000 0.000) 0.000 27.853 ( -0.000 0.000 -0.000) 0.000 27.896 ( -0.000 0.000 0.000) 0.000 31.735 ( -0.000 0.000 0.000) 0.000 31.864 ( -0.000 0.000 0.000) 0.000 31.935 ( -0.000 0.000 0.000) 0.000 32.025 ( -0.000 0.000 0.000) 0.000 35.716 ( -0.000 0.000 0.000) 0.000 36.042 ( -0.000 0.000 0.000) 0.000 36.106 ( -0.000 0.000 0.000) 0.000 37.351 ( -0.000 0.000 -0.000) 0.000 39.046 ( -0.000 0.000 0.000) 0.000 39.209 ( -0.000 0.000 -0.000) 0.000 39.835 ( -0.000 0.000 0.000) 0.000 40.075 ( -0.000 0.000 -0.000) 0.000 41.539 ( -0.000 0.000 0.000) 0.000 41.730 ( -0.000 0.000 0.000) 0.000 41.784 ( -0.000 0.000 0.000) 0.000 42.083 ( -0.000 0.000 0.000) 0.000 42.610 ( -0.000 0.000 0.000) 0.000 43.905 ( -0.000 0.000 0.000) 0.000 44.161 ( -0.000 0.000 -0.000) 0.000 44.996 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 207 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 24.056 -0.000 -19.943) 31.248 1.800 ( 29.696 -0.000 -14.931) 33.238 2.607 ( -5.410 0.000 -8.257) 9.871 2.701 ( 6.298 -0.000 6.733) 9.219 2.921 ( 3.476 -0.000 -1.706) 3.872 2.980 ( 1.970 -0.000 2.470) 3.160 3.019 ( 3.312 -0.000 -3.944) 5.150 3.242 ( -5.703 0.000 17.280) 18.197 3.318 ( 1.051 -0.000 -1.125) 1.540 3.553 ( -3.150 0.000 -6.464) 7.190 3.897 ( 9.504 -0.000 9.110) 13.165 3.908 ( 0.004 -0.000 -0.265) 0.265 4.043 ( 10.647 -0.000 7.780) 13.187 4.154 ( 8.525 -0.000 -28.688) 29.928 4.437 ( 3.424 -0.000 1.475) 3.728 4.663 ( -2.899 0.000 19.705) 19.917 5.008 ( -4.025 0.000 -7.619) 8.617 5.174 ( -7.482 0.000 23.203) 24.379 5.619 ( 3.151 -0.000 -3.104) 4.423 5.625 ( 2.790 -0.000 3.131) 4.194 5.933 ( 6.355 -0.000 -25.554) 26.332 6.457 ( 12.538 -0.000 -17.495) 21.524 6.541 ( 1.221 -0.000 -6.362) 6.478 6.602 ( 1.283 -0.000 24.937) 24.970 6.640 ( 6.682 -0.000 2.790) 7.241 6.653 ( -1.732 0.000 7.645) 7.838 6.934 ( -10.079 0.000 -10.302) 14.413 7.307 ( 3.239 -0.000 -2.527) 4.108 7.635 ( 6.210 -0.000 2.657) 6.755 7.718 ( 0.048 -0.000 5.403) 5.403 8.079 ( 2.573 -0.000 8.559) 8.937 8.099 ( -0.407 0.000 6.361) 6.374 8.184 ( 2.458 -0.000 -7.540) 7.930 8.453 ( 1.918 -0.000 7.848) 8.079 9.007 ( -1.227 0.000 -12.253) 12.315 9.430 ( 5.226 -0.000 -13.856) 14.809 9.453 ( -6.688 0.000 9.678) 11.764 9.729 ( -3.461 0.000 7.249) 8.032 9.797 ( 10.229 -0.000 -6.731) 12.245 9.969 ( 8.268 -0.000 8.729) 12.023 10.758 ( -13.537 0.000 -13.400) 19.047 10.800 ( -10.006 0.000 -18.328) 20.882 10.962 ( -11.131 0.000 7.371) 13.351 11.252 ( -10.449 0.000 6.692) 12.408 11.584 ( 12.513 -0.000 2.206) 12.706 11.661 ( 9.868 -0.000 -2.131) 10.096 11.910 ( 9.493 -0.000 5.689) 11.067 12.079 ( 9.094 -0.000 13.895) 16.606 12.531 ( -10.132 0.000 -2.611) 10.463 13.289 ( 7.351 -0.000 5.045) 8.916 13.463 ( -7.587 0.000 5.367) 9.294 13.683 ( 7.122 -0.000 1.698) 7.321 14.274 ( -11.937 0.000 5.194) 13.018 14.425 ( 2.233 -0.000 -13.698) 13.879 15.251 ( -3.816 0.000 8.382) 9.210 15.416 ( 2.561 -0.000 -2.026) 3.265 15.448 ( -1.118 0.000 0.438) 1.200 15.511 ( 2.611 -0.000 -2.018) 3.300 17.044 ( -9.259 0.000 -2.262) 9.532 17.353 ( -8.718 0.000 4.437) 9.782 19.014 ( 2.593 -0.000 -0.940) 2.758 19.051 ( 0.340 -0.000 3.313) 3.330 19.359 ( -6.422 0.000 -0.662) 6.456 19.465 ( -3.618 0.000 -10.258) 10.877 19.610 ( 0.619 -0.000 0.304) 0.690 19.616 ( -0.452 0.000 2.116) 2.164 19.805 ( -11.463 0.000 -13.230) 17.505 20.015 ( -5.362 0.000 -19.183) 19.918 20.132 ( -9.268 0.000 8.824) 12.797 20.486 ( -0.574 0.000 7.505) 7.527 20.734 ( 0.399 -0.000 8.497) 8.506 20.778 ( 10.021 -0.000 0.689) 10.045 20.876 ( 3.830 -0.000 -1.911) 4.280 20.907 ( 0.533 -0.000 -1.177) 1.292 20.923 ( 8.467 -0.000 -7.608) 11.383 21.154 ( 3.361 -0.000 1.299) 3.603 21.544 ( 2.591 -0.000 -3.349) 4.234 21.680 ( 1.651 -0.000 4.637) 4.922 21.730 ( -0.215 0.000 -6.706) 6.709 22.024 ( -1.191 0.000 17.606) 17.646 22.926 ( 7.931 -0.000 -9.001) 11.997 23.056 ( 0.390 -0.000 9.365) 9.373 23.220 ( -4.472 0.000 15.744) 16.366 23.338 ( 13.000 -0.000 -10.643) 16.801 27.261 ( 3.797 -0.000 -12.412) 12.980 27.464 ( -0.880 0.000 -19.019) 19.039 27.650 ( -2.002 0.000 15.042) 15.175 27.738 ( -4.501 0.000 13.444) 14.178 31.848 ( -2.483 0.000 -1.075) 2.705 31.979 ( -1.762 0.000 0.530) 1.840 31.979 ( 0.516 -0.000 -0.006) 0.516 31.997 ( -0.346 0.000 1.064) 1.119 35.659 ( 2.253 -0.000 -0.518) 2.312 35.740 ( 8.177 -0.000 2.133) 8.451 36.268 ( 15.734 -0.000 2.327) 15.905 36.275 ( 7.080 -0.000 -7.119) 10.040 39.090 ( -1.035 0.000 -1.738) 2.023 39.206 ( -1.659 0.000 2.783) 3.240 39.961 ( 1.365 -0.000 -5.400) 5.570 40.001 ( -1.078 0.000 3.346) 3.516 41.402 ( -3.632 0.000 2.903) 4.649 41.597 ( 8.225 -0.000 -3.253) 8.845 41.804 ( -0.050 0.000 7.989) 7.989 41.830 ( 4.515 -0.000 -1.075) 4.641 42.855 ( 3.416 -0.000 -29.888) 30.082 43.852 ( 0.856 -0.000 29.590) 29.602 45.390 ( -36.864 0.000 -16.421) 40.356 45.518 ( -19.172 0.000 -2.303) 19.310 ======================= Grid point 208 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 23.897 9.909 -14.578) 29.695 2.131 ( 16.356 -7.914 -13.676) 22.742 2.409 ( -6.734 5.815 -9.949) 13.347 2.688 ( 8.570 18.705 0.422) 20.579 2.901 ( -0.368 4.248 -2.009) 4.713 2.993 ( 0.194 5.310 9.967) 11.295 3.067 ( -3.318 -8.498 -1.137) 9.193 3.267 ( -4.556 0.598 6.118) 7.652 3.410 ( 2.207 -6.631 -2.019) 7.274 3.544 ( -2.010 -7.224 -8.927) 11.659 3.959 ( 4.120 -2.034 2.988) 5.481 4.085 ( 11.925 -0.623 2.000) 12.108 4.150 ( 11.899 -1.348 -8.403) 14.629 4.251 ( 6.313 -6.281 3.236) 9.475 4.475 ( 1.474 -3.321 1.084) 3.791 4.822 ( 5.993 -4.475 11.814) 13.982 4.928 ( -5.041 0.093 4.455) 6.728 5.293 ( -4.859 -3.752 22.666) 23.482 5.552 ( 5.852 8.225 -3.183) 10.585 5.812 ( 9.372 -4.924 4.207) 11.392 5.887 ( 10.798 -4.152 -17.260) 20.778 6.421 ( 5.647 4.168 -17.978) 19.299 6.513 ( 1.734 -0.032 -4.319) 4.654 6.679 ( -1.811 0.063 9.841) 10.007 6.752 ( 3.360 0.202 0.833) 3.467 6.780 ( 4.233 -2.631 -7.902) 9.343 6.880 ( 5.272 -6.919 12.715) 15.406 7.318 ( 4.793 2.124 -4.730) 7.061 7.665 ( 2.375 4.232 -0.844) 4.926 7.769 ( -0.828 -4.730 4.611) 6.657 8.114 ( -1.194 1.350 2.415) 3.013 8.135 ( -3.558 -4.446 -3.086) 6.477 8.301 ( 7.149 -4.240 12.321) 14.863 8.551 ( 0.837 -3.586 6.797) 7.730 8.894 ( 1.919 6.454 -8.594) 10.917 9.340 ( -0.559 3.505 -12.089) 12.599 9.429 ( -4.897 1.717 5.869) 7.834 9.675 ( -4.939 7.604 5.326) 10.516 9.844 ( 4.546 -2.440 -11.549) 12.649 10.089 ( 1.099 -1.768 2.278) 3.086 10.502 ( -4.228 3.872 -4.459) 7.263 10.628 ( -6.945 -1.858 -7.656) 10.502 10.989 ( -8.049 -11.187 4.363) 14.456 11.169 ( -9.371 -0.915 3.790) 10.150 11.628 ( 2.384 7.873 -2.804) 8.691 11.682 ( 9.908 13.930 7.074) 18.500 12.048 ( -2.223 -6.965 0.545) 7.332 12.280 ( 3.771 2.151 5.452) 6.969 12.438 ( 4.517 -0.105 3.936) 5.992 13.277 ( -10.757 11.105 -0.294) 15.464 13.511 ( 7.529 -11.425 6.526) 15.159 13.798 ( 7.276 -1.549 -1.872) 7.671 14.272 ( -4.251 -8.715 10.734) 14.465 14.381 ( 4.886 0.255 -9.113) 10.343 15.286 ( -2.308 -0.625 10.065) 10.345 15.389 ( -1.058 2.487 -1.087) 2.913 15.472 ( -0.327 -2.731 1.485) 3.125 15.533 ( 1.601 -1.596 -2.046) 3.049 16.910 ( -7.584 2.023 0.621) 7.873 17.232 ( -10.397 1.444 -0.186) 10.499 19.026 ( -1.518 0.991 -4.769) 5.102 19.036 ( -3.200 5.462 -0.037) 6.330 19.180 ( -3.559 8.034 -4.952) 10.086 19.352 ( -6.875 -0.498 -5.021) 8.527 19.494 ( -6.827 2.278 -12.529) 14.449 19.620 ( -1.432 1.339 1.414) 2.417 19.684 ( -3.259 -8.491 -3.605) 9.784 19.863 ( 3.016 3.600 -6.319) 7.873 20.141 ( -8.203 -7.887 5.301) 12.554 20.538 ( 0.296 -0.909 5.388) 5.473 20.697 ( -0.251 7.873 3.083) 8.459 20.774 ( -3.200 0.988 -2.465) 4.158 20.852 ( 4.058 4.677 -2.290) 6.602 20.975 ( 4.958 -3.563 -0.833) 6.161 21.090 ( 5.726 -5.725 -3.259) 8.728 21.207 ( 2.772 0.014 2.136) 3.500 21.568 ( 3.645 -0.297 -2.306) 4.324 21.673 ( 1.177 1.378 -4.224) 4.597 21.725 ( -1.650 -1.211 2.574) 3.289 22.077 ( -4.306 4.120 13.606) 14.854 23.008 ( 7.038 -2.301 -4.048) 8.439 23.221 ( 7.063 -3.254 13.439) 15.527 23.242 ( 1.798 2.989 6.451) 7.333 23.454 ( 8.658 -4.679 -6.173) 11.618 27.205 ( 1.832 2.717 -10.503) 11.002 27.334 ( 4.498 0.813 -14.773) 15.464 27.715 ( -5.711 -5.179 9.002) 11.852 27.822 ( 0.366 -0.110 13.171) 13.176 31.808 ( -2.584 0.556 -0.574) 2.705 31.945 ( -2.514 1.160 0.388) 2.796 31.958 ( -1.917 1.297 -0.654) 2.405 32.006 ( -0.229 -0.650 0.746) 1.016 35.698 ( 3.957 0.418 0.682) 4.037 35.901 ( 11.884 -1.333 2.802) 12.282 36.215 ( 6.538 8.272 -4.802) 11.586 36.709 ( 18.907 -18.277 7.963) 27.476 39.069 ( -0.516 0.597 -0.427) 0.898 39.203 ( -2.414 -1.281 0.921) 2.884 39.906 ( -0.384 3.032 -3.265) 4.472 40.025 ( -1.401 -2.570 0.659) 3.000 41.406 ( -2.694 -3.471 3.237) 5.457 41.682 ( 7.087 -0.724 -2.519) 7.556 41.827 ( 2.089 4.081 3.437) 5.730 41.930 ( 3.470 -3.956 5.374) 7.521 42.730 ( 9.613 2.014 -23.703) 25.657 44.035 ( -2.629 1.843 26.706) 26.898 44.639 ( -35.552 8.536 -35.780) 51.157 45.241 ( -19.445 2.233 -1.574) 19.636 ======================= Grid point 209 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 21.718 5.779 -7.804) 23.790 2.208 ( -2.503 3.851 -8.102) 9.314 2.229 ( 6.689 3.953 -1.967) 8.015 2.555 ( 10.714 22.450 4.616) 25.300 2.791 ( -1.433 6.910 -0.468) 7.072 2.969 ( -5.519 -0.239 -0.812) 5.584 3.133 ( -8.898 -10.297 7.266) 15.427 3.261 ( -0.238 -1.199 0.923) 1.532 3.436 ( 3.083 -0.408 -5.202) 6.060 3.538 ( -0.590 -5.282 -8.046) 9.643 3.996 ( 2.005 3.162 1.066) 3.892 4.206 ( 8.138 2.191 -1.842) 8.626 4.260 ( 2.768 -2.248 -3.463) 4.971 4.335 ( 1.393 -1.243 -4.270) 4.660 4.627 ( 6.605 -6.128 4.585) 10.110 4.904 ( -2.858 -2.774 1.598) 4.292 5.109 ( 8.906 -5.439 15.131) 18.381 5.410 ( -0.185 1.543 10.731) 10.843 5.533 ( 2.685 3.890 2.313) 5.262 5.875 ( 5.437 3.920 1.957) 6.983 6.171 ( 12.728 -4.715 -5.791) 14.757 6.312 ( 4.209 -4.973 -12.230) 13.858 6.508 ( -2.802 -3.324 0.046) 4.348 6.734 ( 6.196 0.533 -4.890) 7.911 6.781 ( 6.177 -3.730 7.386) 10.326 6.932 ( 9.074 2.138 0.281) 9.326 7.058 ( 5.088 -3.394 5.885) 8.487 7.292 ( 1.402 3.504 -5.461) 6.638 7.666 ( 4.122 -1.144 -2.893) 5.164 7.840 ( -2.887 -5.088 2.405) 6.325 8.047 ( -7.665 2.489 -1.055) 8.128 8.102 ( -1.149 -0.194 -2.523) 2.779 8.502 ( 3.253 -1.602 8.486) 9.228 8.690 ( 3.396 -8.097 8.273) 12.064 8.782 ( 1.505 7.161 -3.287) 8.022 9.170 ( -3.463 5.804 -9.268) 11.470 9.398 ( -2.469 0.078 2.313) 3.384 9.538 ( -5.250 7.622 5.494) 10.763 9.799 ( 0.960 -0.192 -14.242) 14.276 10.080 ( -5.418 -3.758 -6.078) 8.968 10.444 ( 2.157 9.400 6.372) 11.559 10.548 ( -7.410 -9.403 -4.920) 12.943 11.019 ( -5.727 -4.203 -0.004) 7.104 11.151 ( -6.713 -7.852 4.041) 11.093 11.493 ( -6.702 3.315 -2.339) 7.834 11.670 ( 6.803 13.465 8.303) 17.220 12.057 ( -2.404 -0.543 0.919) 2.630 12.239 ( 11.187 14.182 -1.383) 18.116 12.648 ( 6.517 -9.021 4.149) 11.877 13.005 ( -9.896 8.629 0.441) 13.137 13.783 ( 10.349 -7.378 -3.603) 13.211 13.854 ( -0.234 -2.023 3.119) 3.725 14.350 ( -5.786 -3.474 2.000) 7.039 14.522 ( 10.365 -6.169 4.852) 13.001 15.338 ( -1.345 1.843 2.722) 3.552 15.339 ( -2.020 -0.748 5.258) 5.682 15.501 ( -1.916 -2.132 1.702) 3.334 15.567 ( 0.158 -3.110 0.109) 3.115 16.848 ( -3.491 -1.590 4.057) 5.584 17.064 ( -8.758 3.009 -4.626) 10.352 18.711 ( -7.954 9.822 -12.357) 17.676 18.950 ( -3.194 5.852 -2.588) 7.152 19.135 ( 0.960 3.291 -0.051) 3.429 19.234 ( -0.432 -0.850 -3.586) 3.710 19.408 ( -2.013 -2.628 -4.351) 5.467 19.598 ( -1.225 0.442 0.885) 1.575 19.722 ( -1.890 -6.172 -3.479) 7.333 19.877 ( 1.109 -2.257 1.037) 2.721 20.173 ( -8.606 -9.748 1.828) 13.131 20.563 ( -1.675 2.445 -0.101) 2.966 20.616 ( -0.066 3.659 2.022) 4.181 20.726 ( -0.837 -0.011 -2.109) 2.269 20.840 ( 3.651 3.313 -0.373) 4.944 21.048 ( 3.063 -1.357 -1.438) 3.646 21.154 ( 0.827 -1.751 -0.477) 1.995 21.233 ( 1.168 1.844 1.662) 2.744 21.580 ( -0.435 0.606 -0.194) 0.771 21.681 ( 5.517 0.020 -3.197) 6.376 21.729 ( -2.465 -1.676 2.211) 3.711 22.046 ( -2.901 3.478 5.451) 7.087 23.083 ( 6.732 0.981 -1.203) 6.908 23.209 ( 0.329 5.245 3.615) 6.379 23.473 ( 6.236 -1.878 5.852) 8.756 23.562 ( 4.615 -4.433 -0.399) 6.412 27.137 ( 3.249 2.093 -5.822) 6.988 27.326 ( 6.186 0.101 -8.149) 10.232 27.760 ( -5.494 -5.713 2.946) 8.455 27.909 ( 0.092 0.250 9.279) 9.283 31.761 ( -1.926 1.534 -0.085) 2.464 31.890 ( -2.726 1.707 0.065) 3.217 31.926 ( -1.303 -0.467 -0.791) 1.594 32.013 ( -0.734 -0.833 0.295) 1.149 35.743 ( 4.289 1.984 0.839) 4.799 36.078 ( 12.531 2.212 3.401) 13.172 36.165 ( 3.885 4.982 -4.638) 7.837 37.187 ( 10.891 -11.938 11.791) 20.004 39.059 ( 0.476 0.923 0.641) 1.220 39.192 ( -1.253 -1.196 -0.508) 1.805 39.851 ( -1.470 1.249 -1.282) 2.317 40.031 ( -2.895 -2.979 -0.659) 4.206 41.460 ( -1.681 -5.181 3.269) 6.352 41.744 ( 3.126 -0.544 -0.689) 3.246 41.814 ( 1.371 4.464 2.196) 5.161 42.051 ( 2.582 -2.493 3.213) 4.817 42.696 ( 12.254 4.906 -13.754) 19.063 43.935 ( -15.613 2.107 -28.313) 32.401 44.163 ( -5.425 0.072 13.535) 14.582 44.996 ( -14.256 -0.125 -0.560) 14.268 ======================= Grid point 210 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 17.249 3.820 -7.005) 19.005 2.134 ( -1.577 0.696 3.649) 4.036 2.265 ( 9.294 7.796 5.916) 13.497 2.490 ( 12.909 21.096 11.902) 27.447 2.704 ( -2.111 2.643 -0.818) 3.480 2.923 ( -0.599 -2.968 -4.153) 5.140 3.173 ( -0.715 -7.400 -2.279) 7.776 3.345 ( -0.984 -6.262 5.710) 8.532 3.491 ( 4.042 -2.554 2.680) 5.481 3.522 ( -0.775 -1.968 -6.803) 7.124 3.980 ( -0.459 3.712 3.727) 5.280 4.140 ( -5.782 0.727 -12.869) 14.127 4.221 ( 6.045 5.065 -7.485) 10.873 4.387 ( -1.528 -1.503 6.253) 6.610 4.747 ( 0.563 -1.046 2.239) 2.534 4.898 ( 0.280 1.886 -2.813) 3.398 5.369 ( 9.139 -2.647 6.649) 11.608 5.402 ( 2.079 6.689 2.727) 7.517 5.505 ( -0.370 6.779 1.558) 6.965 5.884 ( 1.554 4.320 -1.661) 4.882 6.113 ( -0.231 2.766 -3.438) 4.419 6.427 ( 1.311 -1.127 1.957) 2.611 6.516 ( -5.554 -3.799 0.688) 6.764 6.793 ( 3.516 3.410 -0.362) 4.911 6.862 ( 1.094 5.182 -4.987) 7.274 7.020 ( 6.325 5.504 3.656) 9.147 7.190 ( 1.514 3.065 7.989) 8.689 7.207 ( -0.242 -2.316 -0.293) 2.347 7.723 ( 0.321 -0.426 0.818) 0.977 7.850 ( -2.996 -3.088 -1.681) 4.619 7.899 ( -1.705 -1.215 -8.429) 8.685 8.104 ( -1.135 -2.190 2.454) 3.479 8.569 ( 4.135 1.585 2.062) 4.885 8.697 ( 2.450 7.163 -1.129) 7.654 8.944 ( 3.165 -11.976 9.093) 15.367 8.997 ( -2.611 7.049 -4.931) 8.989 9.379 ( -1.308 -1.860 -2.125) 3.112 9.490 ( 0.262 2.960 4.128) 5.086 9.691 ( -2.078 -0.876 -10.838) 11.070 9.972 ( -8.970 -3.007 -7.396) 12.008 10.451 ( 4.062 0.165 5.828) 7.105 10.595 ( 0.169 -7.046 -1.912) 7.303 11.003 ( -4.854 -6.029 -3.834) 8.638 11.146 ( -9.923 -3.695 0.476) 10.599 11.423 ( -0.831 -1.578 2.343) 2.945 11.654 ( 3.533 7.312 6.573) 10.447 12.043 ( 0.203 0.554 0.300) 0.662 12.229 ( 16.827 13.206 -1.964) 21.481 12.814 ( -5.654 3.991 1.158) 7.017 12.860 ( 6.466 -4.482 0.941) 7.923 13.797 ( -1.288 5.710 -0.150) 5.855 13.948 ( -1.124 -5.344 -2.400) 5.965 14.299 ( -7.252 0.407 3.151) 7.918 14.681 ( 4.180 -0.196 0.219) 4.191 15.304 ( 0.007 0.573 -2.875) 2.932 15.360 ( -3.859 0.075 6.560) 7.611 15.509 ( -2.305 -1.676 1.106) 3.057 15.598 ( -0.169 -1.734 -0.999) 2.008 16.878 ( -4.201 -0.274 -2.545) 4.919 16.949 ( -0.137 -4.816 2.730) 5.538 18.569 ( 3.700 -1.892 -1.286) 4.350 18.874 ( 2.142 0.568 -0.913) 2.397 19.091 ( -2.511 1.337 0.097) 2.847 19.278 ( 4.379 -0.527 0.733) 4.471 19.391 ( -0.730 -2.413 -4.023) 4.747 19.600 ( -0.346 -0.514 2.410) 2.489 19.743 ( -0.875 -4.425 -4.157) 6.135 19.915 ( -3.431 -3.108 2.843) 5.433 20.191 ( -9.241 -11.127 -1.761) 14.571 20.457 ( -3.453 5.340 -1.803) 6.610 20.612 ( 1.723 1.737 -0.959) 2.628 20.723 ( 0.651 -1.414 -1.282) 2.016 20.856 ( 4.231 2.750 1.184) 5.184 21.075 ( 0.932 -0.797 -0.436) 1.301 21.170 ( 0.252 0.077 -0.132) 0.295 21.227 ( -0.010 2.222 2.768) 3.549 21.566 ( -1.205 -0.466 0.485) 1.380 21.693 ( -3.374 0.291 2.783) 4.383 21.771 ( 5.124 -0.533 -1.072) 5.262 22.005 ( -1.975 2.729 2.391) 4.131 23.110 ( 2.111 4.211 0.361) 4.725 23.203 ( 6.985 3.720 -0.725) 7.947 23.477 ( -1.839 2.639 -5.450) 6.328 23.655 ( 0.100 0.848 5.830) 5.893 27.147 ( 4.247 1.149 0.104) 4.401 27.351 ( 5.052 0.899 -2.767) 5.829 27.748 ( -5.645 -3.491 -3.301) 7.413 27.936 ( -1.931 1.403 3.381) 4.139 31.743 ( 0.574 -0.045 1.185) 1.317 31.858 ( -0.513 -0.312 -0.251) 0.651 31.919 ( -1.146 -1.316 -0.204) 1.757 32.012 ( -1.124 -0.858 -0.175) 1.425 35.762 ( 3.448 3.573 0.395) 4.981 36.110 ( -0.279 3.126 -3.753) 4.893 36.198 ( 12.900 8.155 3.396) 15.635 37.365 ( -2.349 2.305 4.118) 5.271 39.066 ( 2.204 0.932 -0.167) 2.399 39.223 ( 2.322 -1.761 2.568) 3.884 39.805 ( -3.508 -0.249 -1.370) 3.775 40.027 ( -3.840 -3.640 0.069) 5.292 41.522 ( -0.294 -3.402 1.783) 3.852 41.750 ( 0.986 2.463 -1.372) 2.986 41.797 ( -1.201 1.904 3.404) 4.081 42.061 ( -2.021 0.756 -5.422) 5.836 42.704 ( 8.431 5.717 0.823) 10.220 43.737 ( 6.034 -8.490 -27.320) 29.238 44.223 ( -5.623 -3.438 21.127) 22.131 44.917 ( -5.720 -7.404 1.391) 9.459 ======================= Grid point 211 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 9.263 -1.067 -3.205) 9.859 2.172 ( 5.661 8.356 12.003) 15.682 2.337 ( 9.918 7.387 4.531) 13.171 2.537 ( 11.274 12.387 13.276) 21.372 2.681 ( -0.508 -1.260 5.331) 5.501 2.966 ( 8.844 0.230 -5.863) 10.614 3.266 ( 4.118 -5.117 -9.186) 11.293 3.393 ( 0.751 1.276 -1.509) 2.113 3.506 ( 0.912 -3.492 0.203) 3.615 3.627 ( -3.474 -6.466 13.052) 14.974 3.914 ( -8.815 2.701 0.690) 9.245 4.011 ( -5.921 -4.304 -1.686) 7.512 4.160 ( 8.499 7.537 -9.744) 14.966 4.385 ( -4.384 1.752 3.426) 5.833 4.664 ( -9.767 5.427 -9.535) 14.689 4.793 ( -1.328 7.693 -5.883) 9.775 5.303 ( 3.686 7.840 -8.791) 12.343 5.382 ( -2.314 9.246 3.046) 10.006 5.540 ( 7.223 4.664 7.593) 11.471 5.780 ( 3.414 9.543 -8.434) 13.185 6.104 ( -7.092 -0.414 13.157) 14.953 6.404 ( -5.606 5.328 9.597) 12.325 6.510 ( -0.364 -1.149 2.042) 2.371 6.612 ( -7.624 4.739 -6.747) 11.230 6.769 ( -2.832 7.167 -3.022) 8.277 7.004 ( 5.028 1.794 -2.915) 6.083 7.102 ( -6.756 9.990 2.127) 12.246 7.227 ( -5.202 2.214 3.498) 6.648 7.677 ( -3.288 3.906 4.360) 6.714 7.800 ( -2.698 -0.632 -4.007) 4.871 8.003 ( 8.733 -8.613 -9.349) 15.422 8.146 ( -2.383 -0.798 6.408) 6.884 8.621 ( 3.601 8.859 -2.528) 9.892 8.641 ( 5.976 -1.669 2.367) 6.641 8.870 ( -0.260 7.592 0.741) 7.632 9.177 ( 2.427 -10.294 4.039) 11.321 9.413 ( 1.524 3.065 -8.614) 9.269 9.432 ( 1.479 -5.209 -0.237) 5.420 9.701 ( -2.663 -7.277 2.570) 8.164 9.861 ( -7.906 -5.209 -7.245) 11.922 10.575 ( 6.000 1.513 6.108) 8.695 10.684 ( 0.963 -8.975 -1.734) 9.192 10.960 ( -8.232 -6.770 -5.371) 11.935 11.063 ( -10.275 -5.662 -1.935) 11.891 11.533 ( 10.288 -1.773 3.495) 11.009 11.682 ( 6.730 6.065 6.514) 11.159 12.060 ( 1.122 -1.416 -0.323) 1.835 12.308 ( 18.313 8.141 -1.621) 20.107 12.636 ( -10.940 6.801 1.401) 12.957 13.053 ( 15.851 -4.095 -5.090) 17.145 13.613 ( -13.468 8.372 -2.208) 16.011 13.853 ( -14.755 0.562 -1.838) 14.880 14.272 ( 1.201 2.020 7.317) 7.685 14.665 ( 1.648 4.199 -4.505) 6.375 15.272 ( -0.785 0.556 -2.245) 2.442 15.369 ( -1.234 -1.592 4.136) 4.600 15.487 ( -3.235 0.320 -0.398) 3.275 15.585 ( -0.370 0.509 -3.675) 3.728 16.848 ( 1.726 -2.773 -1.670) 3.668 17.064 ( -1.920 -9.216 1.214) 9.492 18.812 ( 12.873 -11.749 6.100) 18.465 18.974 ( 5.808 -5.532 4.288) 9.095 19.048 ( -2.727 1.163 1.826) 3.481 19.335 ( 3.896 -1.568 -0.510) 4.231 19.420 ( 2.229 -5.154 -3.756) 6.756 19.633 ( -0.476 -0.939 5.086) 5.194 19.754 ( -1.098 -5.144 -4.950) 7.222 19.908 ( -2.919 0.976 3.986) 5.036 20.194 ( -10.068 -12.262 -4.290) 16.436 20.332 ( -5.007 3.480 -2.833) 6.724 20.607 ( 4.406 3.609 -0.732) 5.742 20.752 ( 1.296 -2.472 -1.426) 3.134 20.889 ( 5.376 3.164 1.028) 6.322 21.089 ( -1.131 -1.031 0.563) 1.630 21.138 ( 0.312 4.319 -1.073) 4.461 21.237 ( -1.633 -0.092 4.972) 5.234 21.570 ( -0.891 -1.373 0.802) 1.823 21.646 ( -5.017 1.173 1.978) 5.519 21.822 ( 4.286 1.949 0.660) 4.754 21.963 ( -1.932 2.229 1.217) 3.191 23.067 ( 0.160 3.954 -0.270) 3.967 23.246 ( 8.402 4.733 -2.921) 10.076 23.320 ( -4.954 6.887 -6.588) 10.741 23.613 ( -5.203 5.585 3.628) 8.451 27.208 ( 3.952 0.496 5.190) 6.542 27.399 ( 4.510 0.865 3.372) 5.697 27.663 ( -5.272 -1.194 -8.396) 9.985 27.875 ( -3.817 2.264 -2.922) 5.314 31.791 ( 2.566 -1.965 1.971) 3.786 31.882 ( 1.577 -2.432 -0.255) 2.909 31.923 ( -1.139 -1.501 0.136) 1.890 32.003 ( -1.397 -0.804 -0.720) 1.766 35.749 ( 2.542 4.583 0.019) 5.240 36.007 ( -4.789 5.002 -2.265) 7.286 36.264 ( 14.210 11.291 2.329) 18.298 37.159 ( -12.635 14.044 -2.226) 19.022 39.095 ( 4.250 0.665 -0.204) 4.307 39.290 ( 1.601 0.569 2.803) 3.278 39.776 ( -1.496 -3.199 -0.806) 3.622 40.018 ( -5.054 -3.106 0.616) 5.964 41.556 ( 1.564 0.650 0.636) 1.809 41.719 ( -0.228 0.830 -1.410) 1.652 41.755 ( -2.362 4.447 1.752) 5.332 41.939 ( -4.878 1.603 -8.288) 9.750 42.811 ( 5.971 2.354 17.687) 18.816 43.701 ( 1.908 -5.132 -26.704) 27.259 44.528 ( 10.224 -17.907 18.606) 27.774 45.045 ( -0.484 -15.380 3.650) 15.814 ======================= Grid point 212 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 9.785 19.233 10.180) 23.859 2.249 ( 9.267 1.130 6.625) 11.448 2.386 ( 0.844 1.601 0.328) 1.839 2.565 ( 2.076 5.735 0.789) 6.149 2.764 ( 0.920 4.748 11.941) 12.884 2.964 ( 6.355 9.474 -10.520) 15.519 3.258 ( 3.061 -1.990 -5.379) 6.501 3.373 ( -2.216 3.458 4.002) 5.735 3.584 ( 2.335 -1.329 -1.164) 2.928 3.702 ( -1.768 -2.353 5.100) 5.889 3.733 ( -11.464 3.754 2.820) 12.388 4.010 ( -4.564 4.528 0.439) 6.444 4.153 ( -3.256 1.512 7.777) 8.566 4.234 ( -1.981 0.931 -21.751) 21.861 4.375 ( -3.102 5.083 1.079) 6.052 4.605 ( -3.973 8.728 -7.498) 12.173 5.213 ( 6.329 6.462 -8.766) 12.595 5.267 ( -5.273 8.865 7.405) 12.698 5.548 ( 4.262 7.389 0.163) 8.532 5.641 ( -1.349 4.791 -4.489) 6.703 6.166 ( -0.517 0.037 20.949) 20.956 6.394 ( -5.180 -2.431 9.851) 11.392 6.490 ( -0.772 1.351 -2.609) 3.038 6.548 ( 0.463 -0.866 1.067) 1.450 6.637 ( -0.384 5.002 -6.002) 7.822 6.797 ( -8.179 12.015 -11.779) 18.709 7.046 ( 0.880 0.698 3.298) 3.484 7.146 ( -4.564 -0.832 -2.606) 5.321 7.638 ( -0.286 3.811 4.353) 5.792 7.728 ( -2.719 2.456 -3.373) 4.980 8.106 ( 7.460 -3.432 -11.907) 14.463 8.133 ( -5.311 1.841 8.005) 9.782 8.531 ( 6.380 13.314 -1.630) 14.854 8.669 ( -3.622 10.346 1.795) 11.107 8.907 ( 6.758 -5.976 10.629) 13.941 9.245 ( -2.717 -6.872 -12.403) 14.437 9.417 ( 0.895 -2.767 6.368) 7.000 9.533 ( 2.253 -5.828 -5.579) 8.377 9.752 ( -5.430 -2.154 8.960) 10.696 9.819 ( -0.935 -7.019 -10.721) 12.849 10.632 ( 3.496 0.936 7.086) 7.957 10.818 ( -1.861 -12.131 0.326) 12.277 10.950 ( -2.670 -7.899 -6.669) 10.677 11.008 ( -8.957 -8.690 0.731) 12.501 11.678 ( 12.409 6.227 1.064) 13.925 11.781 ( 12.762 7.129 7.076) 16.241 12.053 ( -3.503 1.315 -4.054) 5.517 12.249 ( -11.408 13.122 -1.468) 17.450 12.601 ( 19.919 2.179 1.820) 20.120 13.252 ( -22.240 6.545 -4.344) 23.587 13.287 ( 17.636 -6.631 -8.470) 20.658 13.636 ( -16.439 0.191 2.385) 16.612 14.364 ( 4.104 0.960 11.754) 12.487 14.581 ( 0.573 3.832 -7.887) 8.787 15.265 ( 2.380 -0.134 -0.546) 2.446 15.396 ( -4.109 -1.894 -2.211) 5.036 15.441 ( -0.358 1.424 5.082) 5.290 15.534 ( -0.861 1.292 -4.256) 4.530 16.961 ( 5.874 -7.301 1.123) 9.438 17.136 ( -4.562 -9.811 -2.029) 11.008 18.993 ( 3.088 -0.416 -2.412) 3.940 19.023 ( -1.789 0.282 1.411) 2.296 19.267 ( 8.409 -10.813 11.339) 17.782 19.459 ( 6.768 -5.051 0.382) 8.454 19.484 ( 1.393 -6.916 -6.720) 9.743 19.647 ( -6.462 -2.639 1.348) 7.109 19.843 ( 5.572 -8.362 5.562) 11.484 19.913 ( 4.828 2.888 3.790) 6.784 20.175 ( -9.876 -7.662 -3.530) 12.989 20.222 ( -7.931 -6.226 -5.235) 11.361 20.630 ( 7.699 5.185 1.513) 9.404 20.780 ( -0.466 -1.898 -2.126) 2.888 20.921 ( 7.351 4.574 -1.037) 8.720 21.052 ( -2.313 2.447 -1.691) 3.768 21.099 ( 0.552 2.561 0.556) 2.679 21.195 ( -8.754 5.520 6.401) 12.168 21.584 ( -0.366 -1.019 0.516) 1.199 21.593 ( -1.742 -0.045 -0.143) 1.749 21.840 ( 2.432 3.161 2.254) 4.581 21.915 ( -1.692 1.933 -1.295) 2.877 23.020 ( 0.116 3.005 -1.120) 3.209 23.096 ( -6.445 7.575 -1.958) 10.137 23.279 ( 10.235 6.124 -5.892) 13.302 23.461 ( -8.619 7.670 3.060) 11.936 27.303 ( 2.509 -0.342 9.490) 9.822 27.499 ( 3.459 0.129 8.478) 9.158 27.543 ( -2.207 -1.072 -10.863) 11.137 27.763 ( -3.730 1.047 -7.944) 8.838 31.864 ( 2.645 -1.856 1.433) 3.535 31.927 ( -1.384 -1.506 0.049) 2.046 31.939 ( 1.887 -2.612 -0.102) 3.224 31.988 ( -1.376 -0.722 -0.979) 1.837 35.720 ( 2.650 4.863 -0.001) 5.538 35.846 ( -6.325 6.640 -0.926) 9.217 36.312 ( 15.072 12.344 0.530) 19.489 36.742 ( -17.071 18.189 -0.849) 24.960 39.145 ( 4.734 1.094 0.704) 4.910 39.265 ( -2.515 2.795 -0.412) 3.782 39.847 ( 3.352 -4.784 0.829) 5.900 39.985 ( -5.604 -2.286 0.086) 6.053 41.556 ( 3.316 4.260 -0.475) 5.420 41.648 ( -4.470 5.462 1.252) 7.168 41.725 ( 1.265 -0.561 -0.658) 1.533 41.818 ( -4.112 0.741 -4.620) 6.229 43.031 ( 4.240 -0.558 27.315) 27.648 43.539 ( -2.854 -2.700 -28.234) 28.506 45.089 ( 17.423 -25.998 4.379) 31.602 45.307 ( -1.925 -21.340 6.718) 22.455 ======================= Grid point 213 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -8.530 33.317 -9.166) 35.592 2.020 ( 8.530 33.317 9.166) 35.592 2.486 ( -4.386 -7.903 -13.203) 16.001 2.486 ( 4.386 -7.903 13.203) 16.001 2.804 ( -4.304 2.927 -7.333) 8.992 2.804 ( 4.304 2.927 7.333) 8.992 3.305 ( -4.201 3.214 -0.158) 5.291 3.305 ( 4.201 3.214 0.158) 5.291 3.593 ( -2.925 3.505 -6.924) 8.293 3.593 ( 2.925 3.505 6.924) 8.293 3.775 ( -3.236 5.728 -6.951) 9.571 3.775 ( 3.236 5.728 6.951) 9.571 4.150 ( 3.623 1.535 -19.486) 19.879 4.150 ( -3.623 1.535 19.486) 19.879 4.443 ( 1.605 -1.811 -20.124) 20.268 4.443 ( -1.605 -1.811 20.124) 20.268 5.158 ( 7.513 4.774 -11.186) 14.296 5.158 ( -7.513 4.774 11.186) 14.296 5.562 ( -2.006 -0.393 -3.425) 3.989 5.562 ( 2.006 -0.393 3.425) 3.989 6.346 ( -5.551 4.246 -17.000) 18.381 6.346 ( 5.551 4.246 17.000) 18.381 6.469 ( 3.079 1.386 -5.631) 6.565 6.469 ( -3.079 1.386 5.631) 6.565 6.600 ( 2.564 0.481 -1.880) 3.215 6.600 ( -2.564 0.481 1.880) 3.215 7.112 ( -0.796 -4.442 -6.138) 7.618 7.112 ( 0.796 -4.442 6.138) 7.618 7.630 ( -1.374 3.994 -4.375) 6.081 7.630 ( 1.374 3.994 4.375) 6.081 8.111 ( 3.508 2.047 -8.049) 9.016 8.111 ( -3.508 2.047 8.049) 9.016 8.439 ( -3.121 12.869 -2.312) 13.442 8.439 ( 3.121 12.869 2.312) 13.442 9.186 ( -5.934 -8.308 -14.095) 17.404 9.186 ( 5.934 -8.308 14.095) 17.404 9.518 ( -3.077 -1.978 -7.020) 7.916 9.518 ( 3.077 -1.978 7.020) 7.916 9.789 ( -0.748 0.790 -5.113) 5.228 9.789 ( 0.748 0.790 5.113) 5.228 10.855 ( -7.206 -12.966 -9.299) 17.508 10.855 ( 7.206 -12.966 9.299) 17.508 11.062 ( 1.418 -11.237 -8.307) 14.046 11.062 ( -1.418 -11.237 8.307) 14.046 11.743 ( -10.982 12.655 -4.332) 17.306 11.743 ( 10.982 12.655 4.332) 17.306 11.902 ( -12.090 14.837 -2.173) 19.262 11.902 ( 12.090 14.837 2.173) 19.262 12.904 ( -15.034 -1.284 -7.317) 16.770 12.904 ( 15.034 -1.284 7.317) 16.770 13.502 ( 5.914 -3.668 -7.384) 10.147 13.502 ( -5.914 -3.668 7.384) 10.147 14.481 ( -0.957 0.544 -10.322) 10.380 14.481 ( 0.957 0.544 10.322) 10.380 15.319 ( 2.077 0.205 -5.616) 5.992 15.319 ( -2.077 0.205 5.616) 5.992 15.481 ( -1.303 0.328 -3.151) 3.425 15.481 ( 1.303 0.328 3.151) 3.425 17.168 ( -6.013 -9.291 -3.785) 11.696 17.168 ( 6.013 -9.291 3.785) 11.696 19.001 ( 0.765 0.507 -2.577) 2.735 19.001 ( -0.765 0.507 2.577) 2.735 19.488 ( -3.980 -4.056 -3.890) 6.887 19.488 ( 3.980 -4.056 3.890) 6.887 19.587 ( -2.642 -0.599 -1.273) 2.993 19.587 ( 2.642 -0.599 1.273) 2.993 20.028 ( 1.712 -6.337 -10.204) 12.133 20.028 ( -1.712 -6.337 10.204) 12.133 20.216 ( -1.293 -11.817 -10.493) 15.856 20.216 ( 1.293 -11.817 10.493) 15.856 20.687 ( -9.076 6.420 -4.253) 11.903 20.687 ( 9.076 6.420 4.253) 11.903 20.937 ( 6.482 7.388 -3.091) 10.303 20.937 ( -6.482 7.388 3.091) 10.303 21.069 ( -0.827 2.302 -0.695) 2.543 21.069 ( 0.827 2.302 0.695) 2.543 21.589 ( -0.314 0.257 -0.988) 1.068 21.589 ( 0.314 0.257 0.988) 1.068 21.853 ( 1.833 1.505 -8.110) 8.450 21.853 ( -1.833 1.505 8.110) 8.450 22.981 ( 4.073 2.643 -8.275) 9.594 22.981 ( -4.073 2.643 8.275) 9.594 23.282 ( 8.449 6.344 -8.852) 13.784 23.282 ( -8.449 6.344 8.852) 13.784 27.412 ( 0.004 -0.079 -14.529) 14.529 27.412 ( -0.004 -0.079 14.529) 14.529 27.656 ( 1.948 -1.655 -15.644) 15.852 27.656 ( -1.948 -1.655 15.644) 15.852 31.918 ( -2.084 -0.884 -0.846) 2.416 31.918 ( 2.084 -0.884 0.846) 2.416 31.980 ( 0.235 -1.088 -1.156) 1.605 31.980 ( -0.235 -1.088 1.156) 1.605 35.700 ( -3.734 4.870 -0.095) 6.138 35.700 ( 3.734 4.870 0.095) 6.138 36.336 ( -4.566 13.111 -4.591) 14.623 36.336 ( 4.566 13.111 4.591) 14.623 39.187 ( -1.416 1.838 -3.262) 4.003 39.187 ( 1.416 1.838 3.262) 4.003 39.950 ( 0.666 -2.493 -4.483) 5.173 39.950 ( -0.666 -2.493 4.483) 5.173 41.537 ( 2.773 4.702 -2.795) 6.132 41.537 ( -2.773 4.702 2.795) 6.132 41.756 ( 0.446 -0.336 -3.208) 3.256 41.756 ( -0.446 -0.336 3.208) 3.256 43.309 ( -3.264 -1.765 -31.388) 31.606 43.309 ( 3.264 -1.765 31.388) 31.606 45.571 ( 9.524 -22.317 -8.531) 25.721 45.571 ( -9.524 -22.317 8.531) 25.721 ======================= Grid point 217 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 13.789 -0.000 0.933) 13.820 2.246 ( 21.817 -0.000 -14.968) 26.458 2.294 ( -4.560 0.000 -8.385) 9.545 2.831 ( -2.271 0.000 -7.977) 8.294 2.914 ( 0.557 -0.000 3.226) 3.274 2.949 ( -7.802 0.000 4.619) 9.067 3.089 ( 3.130 -0.000 -5.717) 6.517 3.315 ( -14.995 0.000 21.338) 26.080 3.319 ( 10.192 -0.000 -19.620) 22.110 3.472 ( 3.973 -0.000 -3.077) 5.025 4.032 ( 4.898 -0.000 4.744) 6.819 4.156 ( -1.079 0.000 6.441) 6.530 4.249 ( 14.041 -0.000 -10.374) 17.458 4.322 ( 5.994 -0.000 -3.817) 7.106 4.539 ( 11.439 -0.000 3.573) 11.984 4.845 ( 2.174 -0.000 2.880) 3.608 5.052 ( 5.855 -0.000 14.861) 15.973 5.393 ( -4.541 0.000 27.378) 27.752 5.784 ( 19.227 -0.000 -5.400) 19.971 5.811 ( 13.070 -0.000 -9.986) 16.449 5.950 ( 7.133 -0.000 0.835) 7.181 6.332 ( -2.652 0.000 -16.356) 16.570 6.478 ( -3.289 0.000 -0.406) 3.314 6.722 ( -0.063 0.000 8.972) 8.972 6.751 ( 12.443 -0.000 -5.480) 13.597 6.953 ( 15.938 -0.000 -2.253) 16.097 7.011 ( 6.209 -0.000 11.480) 13.052 7.358 ( 6.863 -0.000 -9.381) 11.623 7.685 ( -2.343 0.000 2.537) 3.453 7.787 ( 0.702 -0.000 3.174) 3.251 7.981 ( -6.504 0.000 -4.231) 7.759 8.079 ( -5.950 0.000 -1.909) 6.248 8.489 ( 10.138 -0.000 8.611) 13.301 8.593 ( -1.805 0.000 11.082) 11.228 8.911 ( 3.177 -0.000 -7.341) 7.999 9.251 ( -3.662 0.000 -10.382) 11.009 9.421 ( -5.056 0.000 4.848) 7.005 9.702 ( -6.788 0.000 4.977) 8.417 9.712 ( -2.332 0.000 -16.530) 16.694 10.049 ( -2.397 0.000 -6.153) 6.603 10.364 ( -3.735 0.000 -6.514) 7.509 10.647 ( 0.513 -0.000 2.934) 2.978 10.878 ( -5.102 0.000 7.331) 8.932 11.097 ( -6.743 0.000 4.880) 8.324 11.555 ( -12.267 0.000 -1.255) 12.331 11.897 ( -10.503 0.000 -0.408) 10.511 12.079 ( 16.834 -0.000 11.122) 20.176 12.284 ( -4.474 0.000 3.267) 5.539 12.626 ( 15.926 -0.000 -0.865) 15.950 13.252 ( -6.239 0.000 -5.831) 8.540 13.468 ( 2.228 -0.000 1.547) 2.712 13.882 ( 9.714 -0.000 -4.291) 10.620 14.278 ( -1.686 0.000 19.305) 19.379 14.436 ( 8.663 -0.000 -2.859) 9.122 15.325 ( -3.388 0.000 11.338) 11.834 15.381 ( -2.627 0.000 -1.422) 2.987 15.466 ( -1.230 0.000 6.104) 6.226 15.509 ( 0.312 -0.000 -4.044) 4.056 16.838 ( -7.031 0.000 2.856) 7.589 17.096 ( -9.805 0.000 -2.763) 10.187 18.879 ( -9.794 0.000 -18.073) 20.556 19.061 ( -2.413 0.000 2.250) 3.300 19.187 ( 2.664 -0.000 -6.453) 6.981 19.274 ( -4.399 0.000 6.547) 7.887 19.302 ( -3.860 0.000 -18.778) 19.171 19.567 ( -5.169 0.000 1.095) 5.284 19.608 ( -2.035 0.000 0.020) 2.036 19.912 ( 7.002 -0.000 -4.844) 8.515 20.015 ( -9.667 0.000 5.211) 10.982 20.559 ( -1.145 0.000 4.264) 4.415 20.698 ( -4.643 0.000 -2.449) 5.249 20.710 ( -4.287 0.000 -1.096) 4.425 20.895 ( 1.073 -0.000 -2.151) 2.404 21.038 ( 6.848 -0.000 -0.924) 6.910 21.120 ( 4.339 -0.000 -0.561) 4.375 21.255 ( 0.641 -0.000 4.447) 4.493 21.594 ( 1.459 -0.000 -2.908) 3.253 21.681 ( 6.118 -0.000 -3.493) 7.045 21.709 ( -3.019 0.000 1.833) 3.532 22.101 ( -8.622 0.000 10.478) 13.570 23.107 ( 13.554 -0.000 -4.450) 14.266 23.309 ( -4.264 0.000 10.982) 11.780 23.430 ( 10.340 -0.000 15.356) 18.513 23.474 ( 9.378 -0.000 -11.098) 14.529 27.182 ( 4.584 -0.000 -11.052) 11.965 27.328 ( 9.024 -0.000 -11.903) 14.937 27.659 ( -6.915 0.000 8.295) 10.799 27.911 ( -0.916 0.000 11.365) 11.402 31.784 ( -1.998 0.000 0.541) 2.070 31.916 ( -3.392 0.000 0.236) 3.400 31.923 ( -3.071 0.000 -1.864) 3.592 31.998 ( -1.260 0.000 0.873) 1.533 35.778 ( 5.718 -0.000 1.717) 5.971 36.112 ( 16.938 -0.000 4.617) 17.556 36.288 ( 4.054 -0.000 -9.750) 10.559 36.950 ( 20.142 -0.000 19.305) 27.900 39.077 ( 1.128 -0.000 0.195) 1.144 39.170 ( -2.144 0.000 0.406) 2.182 39.879 ( -1.288 0.000 -5.979) 6.116 39.976 ( -5.074 0.000 2.298) 5.570 41.378 ( -1.946 0.000 3.709) 4.188 41.735 ( 3.501 -0.000 -0.567) 3.547 41.919 ( 3.579 -0.000 -1.642) 3.938 41.983 ( 3.600 -0.000 8.365) 9.107 42.767 ( 16.944 -0.000 -17.363) 24.260 43.972 ( -24.467 0.000 -45.312) 51.496 44.163 ( -7.227 0.000 21.990) 23.147 44.991 ( -20.477 0.000 0.540) 20.485 ======================= Grid point 218 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 7.672 2.087 -2.490) 8.332 2.211 ( 3.599 6.641 -1.244) 7.656 2.387 ( 11.445 0.623 -1.916) 11.621 2.771 ( 2.661 2.981 -3.483) 5.301 2.834 ( -4.866 -2.899 -7.113) 9.093 2.939 ( 0.344 5.660 4.298) 7.115 3.051 ( -7.760 2.801 15.311) 17.392 3.229 ( -5.743 -1.720 3.191) 6.791 3.375 ( 5.613 -6.346 -13.834) 16.222 3.493 ( 5.161 0.449 -5.420) 7.498 4.079 ( 1.302 4.588 4.443) 6.518 4.210 ( -0.015 -0.768 -1.238) 1.457 4.290 ( 2.933 0.986 -5.021) 5.898 4.330 ( 6.010 -0.035 -7.174) 9.359 4.716 ( 4.336 -0.874 5.687) 7.204 4.910 ( 3.661 -0.498 1.488) 3.983 5.282 ( 12.842 -1.743 11.637) 17.418 5.540 ( -1.766 1.182 24.049) 24.143 5.734 ( 12.280 13.350 -9.738) 20.588 5.975 ( 5.846 1.786 -5.795) 8.423 6.188 ( 1.881 -4.699 -3.687) 6.262 6.229 ( 11.068 -5.811 -1.976) 12.656 6.454 ( -1.649 -0.769 1.419) 2.307 6.836 ( 8.165 -0.295 6.057) 10.170 6.945 ( 18.186 -3.030 3.111) 18.698 7.060 ( 6.605 6.541 -3.222) 9.839 7.184 ( 10.390 -2.961 5.459) 12.105 7.307 ( 1.015 6.478 -10.906) 12.726 7.696 ( 1.861 0.703 2.275) 3.022 7.781 ( -1.478 -1.477 -0.584) 2.170 7.923 ( -9.082 -1.100 -4.112) 10.030 7.983 ( -5.060 -6.264 -3.009) 8.596 8.624 ( 1.637 1.558 9.502) 9.767 8.677 ( 1.337 -5.698 4.580) 7.432 8.884 ( 5.482 5.446 -3.154) 8.346 9.122 ( -4.468 2.625 -5.281) 7.399 9.373 ( -3.331 0.910 -0.856) 3.558 9.552 ( -9.040 1.199 -0.684) 9.145 9.639 ( -4.202 -2.477 -7.757) 9.163 9.958 ( -2.412 0.617 -11.082) 11.358 10.338 ( -3.390 -5.751 -2.167) 7.019 10.614 ( 0.378 6.413 4.659) 7.936 10.903 ( -5.297 -4.475 2.305) 7.307 11.068 ( -5.192 -0.981 5.382) 7.542 11.405 ( -9.431 0.080 2.707) 9.812 11.741 ( -11.083 -0.144 -0.472) 11.094 12.125 ( -1.501 7.752 2.879) 8.404 12.406 ( 5.986 -5.202 2.835) 8.423 12.807 ( 16.925 1.946 0.806) 17.055 13.051 ( 2.096 15.713 -3.470) 16.228 13.645 ( 1.772 -16.588 -2.219) 16.830 13.943 ( 7.249 4.203 -3.134) 8.946 14.362 ( -2.078 3.997 12.496) 13.283 14.582 ( 6.001 -5.942 3.676) 9.210 15.324 ( -2.453 0.748 -2.115) 3.324 15.353 ( -5.293 -0.452 8.900) 10.365 15.473 ( -2.408 -0.233 2.608) 3.557 15.523 ( -1.589 -3.314 2.770) 4.602 16.799 ( -4.989 -2.077 4.605) 7.100 16.956 ( -6.730 1.093 -4.512) 8.176 18.622 ( -2.928 3.574 -14.801) 15.505 18.980 ( -0.749 6.728 -5.030) 8.434 19.111 ( -2.790 -1.045 -5.820) 6.538 19.252 ( 3.219 -0.597 1.832) 3.751 19.319 ( -1.543 -3.983 -0.374) 4.288 19.532 ( -5.838 -5.357 -1.390) 8.044 19.588 ( -3.279 -1.801 0.740) 3.813 19.943 ( -3.850 -1.458 1.919) 4.542 19.975 ( 1.157 -1.297 -1.835) 2.527 20.562 ( -1.879 1.458 0.475) 2.425 20.601 ( -4.209 0.790 -1.655) 4.591 20.677 ( -2.925 -2.954 -1.169) 4.319 20.897 ( 1.779 0.720 0.051) 1.920 21.086 ( 3.900 0.964 -3.568) 5.373 21.159 ( 1.237 -0.370 2.371) 2.699 21.279 ( -0.673 1.120 3.903) 4.116 21.568 ( -1.182 0.397 -1.635) 2.057 21.677 ( -4.110 -0.760 0.995) 4.296 21.767 ( 8.902 0.068 -1.710) 9.065 22.060 ( -4.606 1.197 4.699) 6.688 23.232 ( 11.090 4.046 -0.635) 11.822 23.304 ( 0.264 3.365 5.011) 6.042 23.500 ( 4.479 -0.713 -9.328) 10.372 23.642 ( 4.103 -0.997 12.156) 12.868 27.183 ( 7.380 1.328 -6.408) 9.864 27.374 ( 9.708 0.650 -7.928) 12.551 27.646 ( -6.768 -3.376 4.105) 8.605 27.953 ( -3.505 0.203 7.610) 8.381 31.763 ( -1.056 1.092 1.382) 2.054 31.867 ( -2.899 0.559 -0.579) 3.008 31.882 ( -2.532 -1.235 -0.991) 2.987 31.987 ( -1.915 -0.805 0.205) 2.087 35.847 ( 5.515 2.209 1.312) 6.085 36.214 ( 1.254 4.161 -6.474) 7.797 36.369 ( 20.375 4.242 3.287) 21.070 37.322 ( 7.839 -3.469 17.987) 19.925 39.096 ( 2.327 1.216 0.774) 2.737 39.169 ( 0.715 -1.918 0.499) 2.107 39.810 ( -3.061 0.369 -4.183) 5.196 39.928 ( -6.848 -2.988 0.575) 7.494 41.411 ( -1.147 -3.460 4.472) 5.770 41.762 ( -0.075 -0.316 1.721) 1.752 41.910 ( 2.324 4.710 -0.883) 5.326 42.058 ( 0.248 -0.745 -2.024) 2.171 42.858 ( 17.109 4.397 -11.818) 21.254 43.561 ( 2.417 -4.475 -30.714) 31.132 44.175 ( -12.841 -0.814 16.153) 20.652 44.775 ( -16.864 -3.322 1.782) 17.280 ======================= Grid point 219 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 3.895 -1.394 -0.672) 4.191 2.170 ( 5.758 6.557 -3.545) 9.419 2.509 ( 6.817 1.461 8.013) 10.621 2.700 ( -1.163 -0.223 -4.810) 4.953 2.855 ( -0.655 0.997 7.439) 7.534 2.910 ( 8.938 4.929 -4.430) 11.127 3.110 ( -3.192 -4.950 18.671) 19.578 3.281 ( -0.473 -7.302 3.165) 7.972 3.419 ( 0.577 -5.519 -7.252) 9.131 3.538 ( 9.801 0.303 -4.609) 10.835 4.028 ( -0.234 6.278 -9.054) 11.020 4.064 ( -2.857 7.635 -3.460) 8.856 4.316 ( 5.149 4.857 -7.036) 9.980 4.360 ( -1.657 -3.214 8.416) 9.160 4.734 ( -3.568 0.436 -0.788) 3.679 4.908 ( -1.861 2.158 -5.927) 6.576 5.492 ( 8.424 3.921 2.593) 9.647 5.617 ( 7.273 10.412 8.169) 15.100 5.694 ( 6.963 7.947 6.768) 12.548 5.951 ( 3.816 4.097 -2.463) 6.116 6.153 ( 3.234 3.746 -2.249) 5.436 6.428 ( 2.473 -4.462 2.774) 5.807 6.473 ( 0.337 -0.829 2.551) 2.703 6.903 ( -2.965 16.463 -8.682) 18.847 6.955 ( 7.614 5.559 2.977) 9.886 7.100 ( -2.792 6.558 -7.172) 10.111 7.245 ( 5.890 -0.439 6.684) 8.920 7.324 ( 1.279 3.200 7.830) 8.555 7.732 ( 1.361 -0.843 -1.958) 2.529 7.792 ( 1.394 -3.101 -8.420) 9.080 7.804 ( 2.458 -1.020 -0.997) 2.842 8.006 ( -6.871 -7.311 4.352) 10.936 8.678 ( 1.388 1.691 5.660) 6.068 8.758 ( 1.565 -2.104 -3.000) 3.984 8.935 ( 6.368 -2.418 3.763) 7.781 9.011 ( -2.326 3.493 -1.517) 4.463 9.322 ( -1.221 -1.582 -1.989) 2.819 9.499 ( -4.172 -6.721 -2.086) 8.181 9.543 ( -4.640 2.062 -5.553) 7.525 9.804 ( -7.184 0.212 -9.351) 11.794 10.401 ( 1.666 -7.589 1.743) 7.963 10.627 ( 4.295 0.716 1.965) 4.777 10.859 ( -7.234 -2.307 -1.873) 7.821 11.022 ( -7.549 0.247 0.342) 7.561 11.405 ( -0.701 -5.676 5.890) 8.210 11.661 ( -5.550 -5.226 -0.861) 7.671 12.059 ( -0.968 2.062 3.190) 3.920 12.485 ( 0.290 -0.905 -1.488) 1.765 12.881 ( 8.187 14.764 -0.097) 16.882 13.041 ( 19.148 4.409 1.162) 19.683 13.764 ( -6.423 -6.755 -3.936) 10.118 13.879 ( -2.368 9.610 -0.601) 9.915 14.358 ( 1.433 4.726 8.019) 9.418 14.692 ( -0.219 -2.143 0.483) 2.207 15.280 ( -0.711 -0.271 -3.446) 3.529 15.330 ( -6.920 -0.928 5.327) 8.781 15.476 ( -2.474 -1.225 3.181) 4.212 15.553 ( -1.857 -2.603 0.421) 3.225 16.802 ( -3.427 -2.167 0.049) 4.055 16.881 ( -2.941 -3.717 -0.326) 4.751 18.599 ( 9.777 -4.227 -2.499) 10.940 18.915 ( 4.191 1.046 -2.410) 4.946 19.073 ( -2.752 0.101 1.153) 2.986 19.299 ( -2.937 -4.915 -3.103) 6.512 19.332 ( 2.874 0.277 -0.740) 2.981 19.533 ( -7.481 -9.155 -2.299) 12.044 19.588 ( -1.293 -2.227 2.236) 3.411 19.913 ( -10.387 -8.125 -0.501) 13.197 20.004 ( 6.941 4.578 -0.171) 8.317 20.448 ( -5.755 4.934 -1.863) 7.806 20.599 ( 0.131 -2.994 -0.890) 3.126 20.685 ( -1.492 -3.423 -0.663) 3.792 20.923 ( 2.833 0.296 0.909) 2.990 21.080 ( 0.921 0.126 -3.091) 3.228 21.195 ( 1.662 0.567 2.451) 3.016 21.270 ( -1.017 2.087 2.674) 3.541 21.546 ( -1.211 -0.295 0.212) 1.265 21.641 ( -4.310 -1.040 0.391) 4.451 21.857 ( 6.871 0.906 0.026) 6.930 22.024 ( -2.290 1.896 2.294) 3.755 23.221 ( 0.748 7.204 3.416) 8.008 23.370 ( 11.598 4.344 -1.033) 12.428 23.448 ( -0.438 3.065 -8.187) 8.752 23.713 ( -2.275 2.449 7.159) 7.901 27.235 ( 7.171 1.218 -0.993) 7.342 27.436 ( 9.535 1.838 -3.832) 10.440 27.612 ( -6.778 -2.646 -0.998) 7.345 27.919 ( -6.691 1.194 2.735) 7.327 31.765 ( 1.077 0.029 1.874) 2.162 31.841 ( -0.653 -0.818 -0.085) 1.051 31.873 ( -1.979 -2.322 -0.418) 3.079 31.972 ( -2.417 -1.395 -0.591) 2.853 35.877 ( 4.618 4.611 1.068) 6.613 36.118 ( -0.806 4.467 -5.543) 7.165 36.562 ( 20.006 10.380 4.207) 22.928 37.406 ( -6.256 6.111 6.797) 11.076 39.120 ( 4.274 1.338 -0.079) 4.479 39.251 ( 3.230 -3.370 3.523) 5.848 39.733 ( -4.590 -0.334 -2.478) 5.227 39.900 ( -6.588 -5.580 -0.208) 8.637 41.488 ( -0.171 -4.455 4.691) 6.472 41.761 ( -1.608 0.122 -0.612) 1.725 41.860 ( 0.345 5.339 0.814) 5.412 41.976 ( -3.153 1.281 -10.056) 10.616 42.945 ( 15.271 6.539 0.692) 16.627 43.584 ( 10.667 -3.394 -18.468) 21.595 44.180 ( -7.503 -10.051 12.963) 18.038 44.702 ( -11.861 -11.106 2.787) 16.486 ======================= Grid point 220 (109/114) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 2.734 1.467 1.114) 3.296 2.202 ( 3.101 -3.269 -4.142) 6.121 2.646 ( 5.897 1.596 9.213) 11.055 2.690 ( -0.939 2.920 8.171) 8.728 2.882 ( 5.788 4.647 5.439) 9.202 3.027 ( 8.857 -12.371 -11.818) 19.265 3.253 ( 3.903 0.095 -0.623) 3.953 3.347 ( -7.546 -5.033 5.669) 10.696 3.494 ( 6.482 -2.723 6.168) 9.353 3.659 ( 9.180 1.266 6.314) 11.214 3.791 ( -6.916 4.928 -10.594) 13.578 3.984 ( -3.593 2.286 1.893) 4.661 4.236 ( 3.930 6.924 -8.727) 11.813 4.416 ( -0.263 4.175 2.872) 5.074 4.573 ( -9.694 8.213 -3.240) 13.112 4.750 ( -5.681 2.628 -10.243) 12.004 5.453 ( 6.165 10.214 -2.915) 12.281 5.562 ( -1.616 12.684 4.340) 13.503 5.756 ( 12.945 12.507 4.201) 18.483 5.981 ( 8.149 8.951 0.982) 12.145 6.123 ( -4.086 2.084 8.418) 9.586 6.408 ( -10.400 6.140 -4.436) 12.866 6.512 ( 1.766 -0.885 1.535) 2.502 6.571 ( -4.272 5.599 -0.247) 7.047 6.879 ( 2.618 12.438 0.051) 12.711 7.055 ( 2.590 6.754 -6.673) 9.841 7.136 ( -5.737 7.506 1.120) 9.513 7.240 ( -7.672 7.866 4.243) 11.778 7.728 ( -0.513 2.228 4.386) 4.946 7.795 ( 0.634 3.613 -1.151) 3.844 7.933 ( 11.515 -9.752 -12.118) 19.353 8.074 ( -8.689 -7.253 9.275) 14.634 8.694 ( 1.829 -0.152 4.436) 4.800 8.789 ( 6.418 2.776 -4.414) 8.269 8.956 ( 0.908 3.561 3.837) 5.313 9.084 ( 0.940 -5.539 -1.815) 5.904 9.374 ( 2.462 -5.775 -2.156) 6.638 9.392 ( -2.840 2.071 -4.260) 5.523 9.573 ( 0.513 -8.914 -2.223) 9.202 9.690 ( -9.142 -4.034 -0.225) 9.995 10.563 ( 4.766 -7.846 0.970) 9.231 10.697 ( 3.113 0.553 1.427) 3.469 10.787 ( -5.286 -3.986 -2.390) 7.039 10.910 ( -6.863 -0.349 -2.675) 7.375 11.581 ( 4.636 -10.088 5.106) 12.221 11.709 ( -0.916 -9.559 -2.156) 9.842 12.107 ( 5.502 0.843 5.642) 7.926 12.416 ( -9.218 0.072 -3.673) 9.923 12.854 ( 17.532 16.433 4.559) 24.458 13.211 ( 15.398 2.099 -8.114) 17.531 13.533 ( -15.223 12.571 -0.816) 19.760 13.694 ( -12.947 5.629 1.492) 14.197 14.422 ( 6.492 2.874 7.224) 10.129 14.652 ( -3.465 1.518 -4.394) 5.798 15.259 ( -1.309 -0.345 1.746) 2.209 15.317 ( -2.033 -3.585 -1.930) 4.551 15.477 ( -2.163 0.473 4.609) 5.113 15.542 ( -0.904 -0.922 -4.388) 4.574 16.819 ( 1.989 -3.998 -0.529) 4.496 16.915 ( -4.446 -7.339 -0.045) 8.581 18.878 ( 14.507 -9.520 1.414) 17.410 19.012 ( 4.390 -4.125 3.973) 7.216 19.054 ( -2.673 -0.774 6.950) 7.487 19.289 ( 0.288 -6.415 -10.531) 12.334 19.372 ( 0.800 -3.093 0.335) 3.212 19.517 ( -9.571 -7.445 -0.244) 12.129 19.663 ( 3.535 -5.016 2.054) 6.471 19.881 ( -10.405 -9.955 -3.370) 14.789 20.037 ( 7.637 5.783 2.385) 9.872 20.284 ( -7.710 5.072 -2.728) 9.624 20.649 ( 1.820 -2.697 1.016) 3.408 20.708 ( -0.639 -3.563 -1.774) 4.031 20.970 ( 3.979 0.091 0.345) 3.995 21.062 ( -1.660 -0.382 -1.636) 2.362 21.213 ( 3.093 3.183 -0.260) 4.446 21.252 ( -1.923 1.228 3.612) 4.273 21.548 ( -0.878 -0.968 1.584) 2.053 21.598 ( -3.496 -0.312 -0.663) 3.572 21.911 ( 4.211 2.159 0.789) 4.797 21.982 ( -2.016 2.656 1.170) 3.534 23.163 ( 1.899 7.602 2.085) 8.108 23.294 ( -4.195 7.386 -5.104) 9.910 23.441 ( 11.289 6.252 -2.597) 13.163 23.638 ( -6.982 5.991 3.708) 9.919 27.313 ( 5.697 0.803 3.789) 6.889 27.513 ( 4.177 0.646 -1.902) 4.635 27.536 ( -0.785 0.445 -2.147) 2.329 27.800 ( -8.810 1.958 -1.978) 9.240 31.814 ( 2.451 -1.756 1.534) 3.383 31.871 ( 1.368 -2.479 0.571) 2.888 31.878 ( -1.541 -2.373 -0.131) 2.833 31.953 ( -2.690 -1.829 -1.201) 3.468 35.869 ( 4.035 6.319 1.178) 7.589 35.998 ( -3.491 5.502 -3.370) 7.336 36.674 ( 19.222 14.938 3.041) 24.533 37.152 ( -15.061 14.164 -0.712) 20.688 39.173 ( 6.280 1.081 0.062) 6.372 39.311 ( -2.386 0.133 1.771) 2.975 39.726 ( 2.017 -4.331 0.070) 4.778 39.884 ( -7.112 -5.639 -0.465) 9.088 41.577 ( 1.210 -2.885 4.934) 5.842 41.711 ( -1.011 0.272 -6.208) 6.296 41.806 ( -1.695 4.772 3.497) 6.155 41.854 ( -1.947 3.035 -6.401) 7.347 43.086 ( 10.597 5.320 13.901) 18.271 43.505 ( -2.206 1.081 -18.950) 19.109 44.488 ( 8.911 -21.533 8.390) 24.768 44.782 ( -9.070 -19.375 1.701) 21.461 ======================= Grid point 221 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 3.952 -4.575 -11.766) 13.229 2.231 ( -3.952 -4.575 11.766) 13.229 2.660 ( 0.638 8.978 -7.431) 11.671 2.660 ( -0.638 8.978 7.431) 11.671 3.003 ( -4.547 4.583 -16.945) 18.133 3.003 ( 4.547 4.583 16.945) 18.133 3.325 ( 17.091 -1.137 -12.167) 21.011 3.325 ( -17.091 -1.137 12.167) 21.011 3.618 ( -3.913 0.959 -2.688) 4.843 3.618 ( 3.913 0.959 2.688) 4.843 3.866 ( -6.426 0.250 -19.589) 20.618 3.866 ( 6.426 0.250 19.589) 20.618 4.160 ( 7.531 6.420 -7.539) 12.441 4.160 ( -7.531 6.420 7.539) 12.441 4.554 ( -4.371 5.782 -12.765) 14.679 4.554 ( 4.371 5.782 12.765) 14.679 5.382 ( 5.748 11.736 -4.624) 13.862 5.382 ( -5.748 11.736 4.624) 13.862 5.726 ( -4.606 15.722 -4.144) 16.898 5.726 ( 4.606 15.722 4.144) 16.898 6.253 ( -2.118 -5.203 -14.225) 15.294 6.253 ( 2.118 -5.203 14.225) 15.294 6.543 ( 1.908 0.221 -3.002) 3.564 6.543 ( -1.908 0.221 3.002) 3.564 6.789 ( 5.306 13.255 -18.061) 23.023 6.789 ( -5.306 13.255 18.061) 23.023 7.103 ( 2.493 3.412 -5.603) 7.018 7.103 ( -2.493 3.412 5.603) 7.018 7.725 ( -0.182 3.786 -4.446) 5.842 7.725 ( 0.182 3.786 4.446) 5.842 8.082 ( 11.015 -4.484 -12.984) 17.608 8.082 ( -11.015 -4.484 12.984) 17.608 8.745 ( 1.143 6.629 -4.562) 8.127 8.745 ( -1.143 6.629 4.562) 8.127 9.019 ( -5.473 -2.086 -11.405) 12.821 9.019 ( 5.473 -2.086 11.405) 12.821 9.431 ( 2.045 -4.860 -8.617) 10.102 9.431 ( -2.045 -4.860 8.617) 10.102 9.689 ( 6.935 -7.277 -10.331) 14.415 9.689 ( -6.935 -7.277 10.331) 14.415 10.680 ( 3.222 -2.668 -5.060) 6.565 10.680 ( -3.222 -2.668 5.060) 6.565 10.857 ( 0.849 -5.209 -3.399) 6.278 10.857 ( -0.849 -5.209 3.399) 6.278 11.790 ( -2.313 -7.893 -5.413) 9.847 11.790 ( 2.313 -7.893 5.413) 9.847 12.209 ( -11.377 7.050 -3.592) 13.858 12.209 ( 11.377 7.050 3.592) 13.858 12.995 ( -13.740 8.740 -13.264) 21.002 12.995 ( 13.740 8.740 13.264) 21.002 13.453 ( 4.116 3.039 -9.453) 10.749 13.453 ( -4.116 3.039 9.453) 10.749 14.524 ( -3.644 2.399 -9.814) 10.740 14.524 ( 3.644 2.399 9.814) 10.740 15.302 ( 2.018 -1.711 -8.420) 8.826 15.302 ( -2.018 -1.711 8.420) 8.826 15.497 ( -0.194 0.628 -6.153) 6.188 15.497 ( 0.194 0.628 6.153) 6.188 16.943 ( -4.819 -7.776 -1.315) 9.243 16.943 ( 4.819 -7.776 1.315) 9.243 19.017 ( 3.607 0.139 -3.202) 4.826 19.017 ( -3.607 0.139 3.202) 4.826 19.301 ( -3.502 -10.291 -12.871) 16.847 19.301 ( 3.502 -10.291 12.871) 16.847 19.486 ( -4.881 -5.812 -1.880) 7.819 19.486 ( 4.881 -5.812 1.880) 7.819 19.855 ( -3.996 -10.190 -8.826) 14.061 19.855 ( 3.996 -10.190 8.826) 14.061 20.096 ( -7.929 4.117 -4.744) 10.115 20.096 ( 7.929 4.117 4.744) 10.115 20.719 ( -1.714 -2.170 -3.107) 4.159 20.719 ( 1.714 -2.170 3.107) 4.159 21.019 ( -1.973 0.574 -1.381) 2.476 21.019 ( 1.973 0.574 1.381) 2.476 21.201 ( 5.941 4.785 -3.900) 8.567 21.201 ( -5.941 4.785 3.900) 8.567 21.569 ( -0.100 -0.999 -1.884) 2.135 21.569 ( 0.100 -0.999 1.884) 2.135 21.922 ( 2.153 3.142 -5.093) 6.360 21.922 ( -2.153 3.142 5.093) 6.360 23.116 ( 3.006 7.648 -8.297) 11.678 23.116 ( -3.006 7.648 8.297) 11.678 23.465 ( 1.495 7.610 -3.297) 8.428 23.465 ( -1.495 7.610 3.297) 8.428 27.414 ( -0.928 0.189 -11.521) 11.559 27.414 ( 0.928 0.189 11.521) 11.559 27.643 ( -0.558 0.891 -12.496) 12.541 27.643 ( 0.558 0.891 12.496) 12.541 31.878 ( -1.892 -2.160 -0.890) 3.006 31.878 ( 1.892 -2.160 0.890) 3.006 31.938 ( -1.480 -2.267 -1.612) 3.151 31.938 ( 1.480 -2.267 1.612) 3.151 35.850 ( -3.895 6.642 -1.954) 7.943 35.850 ( 3.895 6.642 1.954) 7.943 36.727 ( -6.595 16.704 -9.898) 20.505 36.727 ( 6.595 16.704 9.898) 20.506 39.237 ( -2.805 1.838 -2.461) 4.160 39.237 ( 2.805 1.838 2.461) 4.160 39.857 ( -0.560 -4.950 -5.541) 7.451 39.857 ( 0.560 -4.950 5.541) 7.451 41.647 ( -2.545 1.644 -3.398) 4.553 41.647 ( 2.545 1.644 3.398) 4.553 41.765 ( -1.318 2.646 -2.016) 3.578 41.765 ( 1.318 2.646 2.016) 3.578 43.284 ( -4.764 0.777 -24.182) 24.659 43.284 ( 4.764 0.777 24.182) 24.659 44.951 ( 6.068 -24.902 -15.674) 30.043 44.951 ( -6.068 -24.902 15.674) 30.043 ======================= Grid point 227 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 8.115 -0.000 -7.154) 10.818 2.293 ( -3.152 0.000 4.361) 5.381 2.458 ( 2.793 -0.000 -0.232) 2.803 2.643 ( -7.658 0.000 -10.298) 12.833 2.966 ( 12.586 -0.000 11.757) 17.223 2.995 ( -5.404 0.000 14.552) 15.523 3.071 ( 3.751 -0.000 -5.843) 6.943 3.093 ( -16.648 0.000 10.059) 19.451 3.309 ( 4.276 -0.000 -10.974) 11.778 3.573 ( 15.408 -0.000 -8.951) 17.819 4.135 ( -8.576 0.000 7.079) 11.120 4.205 ( -2.655 0.000 -15.355) 15.583 4.260 ( 7.769 -0.000 5.325) 9.419 4.399 ( 5.922 -0.000 -0.491) 5.942 4.732 ( -2.324 0.000 -2.007) 3.070 4.925 ( -1.199 0.000 -4.743) 4.892 5.574 ( 14.906 -0.000 12.218) 19.274 5.712 ( -0.321 0.000 22.344) 22.346 5.859 ( 10.469 -0.000 -6.985) 12.586 6.011 ( 4.706 -0.000 -6.559) 8.072 6.234 ( 4.996 -0.000 -6.053) 7.849 6.307 ( 9.245 -0.000 4.725) 10.383 6.467 ( 2.274 -0.000 2.519) 3.394 7.023 ( 9.451 -0.000 3.602) 10.114 7.143 ( 12.919 -0.000 -2.187) 13.103 7.203 ( 10.407 -0.000 -1.700) 10.545 7.276 ( 6.447 -0.000 2.412) 6.883 7.322 ( 3.934 -0.000 -4.640) 6.084 7.710 ( -1.142 0.000 -3.078) 3.283 7.712 ( -4.945 0.000 -7.299) 8.817 7.846 ( -2.318 0.000 -3.390) 4.107 7.868 ( 0.091 -0.000 9.570) 9.570 8.648 ( -0.854 0.000 -2.261) 2.417 8.686 ( -2.868 0.000 9.160) 9.598 9.002 ( 8.300 -0.000 -0.907) 8.349 9.052 ( -4.961 0.000 -1.431) 5.163 9.324 ( -3.116 0.000 -2.633) 4.080 9.396 ( -1.000 0.000 -16.177) 16.208 9.526 ( -15.764 0.000 12.277) 19.980 9.834 ( -3.248 0.000 -16.532) 16.848 10.310 ( 3.095 -0.000 2.600) 4.043 10.666 ( -0.945 0.000 2.465) 2.640 10.814 ( -7.314 0.000 1.674) 7.503 11.022 ( -7.587 0.000 3.416) 8.321 11.329 ( -6.431 0.000 6.069) 8.842 11.576 ( -10.505 0.000 -1.424) 10.601 12.108 ( -3.258 0.000 -2.609) 4.174 12.415 ( -4.093 0.000 2.512) 4.802 13.023 ( 17.670 -0.000 0.163) 17.671 13.346 ( 19.684 -0.000 -3.363) 19.969 13.507 ( -1.033 0.000 1.643) 1.941 14.031 ( 4.870 -0.000 -4.875) 6.891 14.472 ( -3.320 0.000 13.255) 13.664 14.606 ( 2.516 -0.000 2.122) 3.291 15.267 ( -2.128 0.000 -4.549) 5.022 15.326 ( -8.583 0.000 7.938) 11.691 15.450 ( 0.006 -0.000 -2.703) 2.703 15.510 ( -5.361 0.000 9.690) 11.074 16.756 ( -4.460 0.000 4.197) 6.124 16.858 ( -4.565 0.000 -4.595) 6.477 18.564 ( 7.109 -0.000 -10.708) 12.853 18.983 ( 6.117 -0.000 -18.588) 19.568 19.039 ( -4.777 0.000 6.453) 8.029 19.204 ( -10.870 0.000 6.596) 12.714 19.338 ( 4.032 -0.000 -0.945) 4.141 19.408 ( -6.791 0.000 0.252) 6.796 19.555 ( -0.356 0.000 -0.253) 0.437 19.812 ( -8.525 0.000 0.567) 8.544 20.081 ( 9.213 -0.000 -1.248) 9.297 20.535 ( -4.266 0.000 -2.373) 4.882 20.565 ( -3.248 0.000 0.378) 3.270 20.590 ( -2.210 0.000 -0.677) 2.311 20.926 ( 1.075 -0.000 2.659) 2.868 21.084 ( 0.904 -0.000 -5.488) 5.562 21.202 ( 1.842 -0.000 2.947) 3.475 21.294 ( -1.976 0.000 3.301) 3.847 21.546 ( -0.814 0.000 -1.020) 1.305 21.623 ( -3.783 0.000 -0.018) 3.783 21.868 ( 8.065 -0.000 -1.022) 8.129 22.047 ( -2.492 0.000 2.433) 3.482 23.340 ( -3.989 0.000 8.957) 9.805 23.424 ( 13.706 -0.000 -1.824) 13.827 23.476 ( 5.030 -0.000 -12.408) 13.389 23.743 ( -0.993 0.000 9.780) 9.830 27.254 ( 9.238 -0.000 -5.640) 10.824 27.464 ( 11.624 -0.000 -5.877) 13.025 27.569 ( -7.382 0.000 3.947) 8.371 27.933 ( -7.242 0.000 5.118) 8.867 31.778 ( -0.135 0.000 2.653) 2.656 31.825 ( -1.654 0.000 -2.067) 2.647 31.838 ( -2.708 0.000 0.456) 2.746 31.951 ( -2.610 0.000 -0.618) 2.682 35.937 ( 4.940 -0.000 1.087) 5.058 36.192 ( -0.791 0.000 -6.824) 6.869 36.703 ( 22.903 -0.000 3.967) 23.244 37.480 ( -2.053 0.000 14.929) 15.070 39.158 ( 4.008 -0.000 1.663) 4.339 39.176 ( 2.905 -0.000 0.613) 2.969 39.739 ( -2.350 0.000 -6.201) 6.632 39.809 ( -9.851 0.000 2.062) 10.065 41.419 ( -0.118 0.000 6.008) 6.009 41.753 ( -3.327 0.000 1.020) 3.480 41.948 ( 1.301 -0.000 -2.780) 3.069 41.993 ( -1.955 0.000 -10.314) 10.497 43.035 ( 19.354 -0.000 -8.052) 20.962 43.552 ( 21.686 -0.000 -11.352) 24.477 44.044 ( -19.307 0.000 7.635) 20.762 44.551 ( -18.075 0.000 4.318) 18.584 ======================= Grid point 228 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 6.675 2.155 -1.116) 7.102 2.247 ( 0.552 4.623 -1.076) 4.779 2.522 ( -6.777 -12.090 3.139) 14.211 2.529 ( -0.090 -4.982 -6.952) 8.553 2.951 ( -9.432 3.579 14.685) 17.817 2.987 ( 4.268 2.899 -9.102) 10.462 3.096 ( -0.434 -5.494 6.080) 8.206 3.210 ( 0.568 -5.227 -3.979) 6.594 3.412 ( 9.944 -2.529 14.748) 17.966 3.716 ( 16.771 3.132 -4.408) 17.622 3.977 ( -7.257 3.766 -16.851) 18.730 4.051 ( -9.915 1.852 3.379) 10.638 4.405 ( 9.088 2.489 4.214) 10.322 4.458 ( 2.754 2.125 8.221) 8.927 4.661 ( -2.302 0.116 -8.642) 8.944 4.799 ( -8.724 1.279 -9.647) 13.069 5.677 ( 4.630 6.250 2.599) 8.201 5.783 ( -2.385 5.265 6.362) 8.595 6.033 ( 3.674 0.735 4.095) 5.550 6.061 ( 18.719 6.757 11.326) 22.899 6.206 ( 3.283 3.407 -7.173) 8.593 6.432 ( 2.404 -3.228 -0.182) 4.028 6.521 ( 3.697 1.616 3.818) 5.555 6.894 ( -11.336 9.120 -14.748) 20.717 7.148 ( 6.619 7.269 -6.285) 11.668 7.272 ( 13.356 13.328 3.551) 19.199 7.311 ( -8.999 4.498 6.666) 12.069 7.424 ( 2.642 2.996 6.835) 7.917 7.671 ( 5.870 -5.665 -10.644) 13.411 7.725 ( 0.059 -6.513 -2.709) 7.055 7.866 ( 1.838 -3.376 5.035) 6.335 7.920 ( -0.291 3.569 4.047) 5.404 8.672 ( 1.391 -7.158 -3.397) 8.044 8.698 ( -4.006 -1.022 4.527) 6.131 8.998 ( -1.835 0.202 1.330) 2.275 9.043 ( 3.005 1.490 -1.821) 3.816 9.307 ( 1.291 0.011 3.624) 3.847 9.343 ( 4.500 -4.271 -13.422) 14.787 9.453 ( -12.068 -3.630 10.700) 16.532 9.637 ( -7.458 1.300 -13.751) 15.697 10.425 ( 8.057 -2.846 3.784) 9.345 10.687 ( 1.502 0.200 0.458) 1.583 10.723 ( -7.139 -1.881 0.097) 7.383 10.920 ( -9.349 -0.095 -1.193) 9.425 11.359 ( -1.199 -5.343 6.747) 8.689 11.492 ( -5.727 -5.475 -3.026) 8.481 12.106 ( 3.943 -0.058 2.331) 4.581 12.347 ( -8.837 -3.051 -2.976) 9.811 13.204 ( 15.593 6.688 0.076) 16.967 13.379 ( 9.782 11.415 -0.168) 15.034 13.644 ( 3.184 -3.433 2.342) 5.235 13.938 ( -6.028 8.855 -4.625) 11.668 14.498 ( 2.605 3.212 7.264) 8.359 14.643 ( -3.045 -2.110 0.387) 3.725 15.231 ( 1.581 -1.570 -6.466) 6.839 15.266 ( -8.652 -0.324 7.114) 11.206 15.454 ( 1.092 -1.504 -1.036) 2.128 15.505 ( -4.923 -1.279 4.587) 6.850 16.749 ( -2.052 -1.789 2.233) 3.521 16.795 ( -2.459 -2.019 -2.937) 4.330 18.684 ( 15.426 -4.201 -2.428) 16.172 18.959 ( 7.785 0.090 -8.435) 11.479 19.021 ( -8.529 -2.197 5.489) 10.378 19.123 ( -10.775 -5.450 -0.173) 12.077 19.342 ( -0.212 0.104 -1.602) 1.619 19.372 ( -4.048 -2.927 0.792) 5.058 19.586 ( 3.253 -1.467 1.060) 3.723 19.732 ( -6.954 -2.414 -0.738) 7.398 20.169 ( 9.237 3.852 0.282) 10.012 20.407 ( -7.819 4.042 -1.793) 8.982 20.563 ( 0.922 -2.638 -0.317) 2.812 20.603 ( -2.220 -4.349 -0.161) 4.885 20.965 ( 1.250 -0.186 3.671) 3.882 21.050 ( -0.274 -0.332 -4.922) 4.940 21.239 ( 1.682 0.212 1.569) 2.310 21.283 ( -1.931 0.506 1.643) 2.585 21.538 ( 0.090 -0.025 0.268) 0.283 21.584 ( -2.838 -0.509 -0.563) 2.938 21.946 ( 5.604 0.697 -0.326) 5.657 22.028 ( -2.124 0.908 1.183) 2.595 23.331 ( -1.751 4.434 7.566) 8.943 23.421 ( 1.597 2.384 -10.112) 10.512 23.561 ( 11.935 2.784 -1.726) 12.376 23.743 ( -5.704 2.241 5.614) 8.311 27.331 ( 8.435 0.505 -2.862) 8.921 27.502 ( -7.522 -0.716 1.654) 7.735 27.574 ( 12.219 1.422 -3.042) 12.672 27.843 ( -10.406 1.056 2.397) 10.731 31.791 ( 0.650 0.072 0.907) 1.118 31.818 ( -1.618 -1.929 -0.195) 2.526 31.829 ( 0.593 -0.980 1.401) 1.810 31.915 ( -2.875 -0.956 -1.582) 3.418 35.987 ( 4.003 2.511 1.754) 5.041 36.111 ( -1.998 2.908 -5.009) 6.127 36.969 ( 21.532 7.056 3.291) 22.896 37.422 ( -12.500 6.449 4.887) 14.890 39.201 ( 5.144 1.406 0.522) 5.358 39.262 ( 1.789 -3.241 2.153) 4.283 39.666 ( -1.797 -0.101 -2.886) 3.401 39.741 ( -7.391 -4.711 0.249) 8.768 41.491 ( 1.074 -2.562 7.409) 7.913 41.684 ( -4.564 -1.201 -6.937) 8.390 41.911 ( -0.103 2.408 -2.199) 3.262 41.924 ( 0.429 1.962 -3.721) 4.229 43.236 ( 19.693 4.397 0.173) 20.179 43.649 ( 0.295 10.964 -5.367) 12.211 44.011 ( 3.706 -17.044 2.152) 17.575 44.404 ( -18.444 -9.233 3.929) 20.997 ======================= Grid point 229 (113/114) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 2.308 2.301 -3.672) 4.910 2.197 ( -2.308 2.301 3.672) 4.910 2.647 ( 8.025 -11.152 -10.085) 17.043 2.647 ( -8.025 -11.152 10.085) 17.043 2.950 ( 7.003 -0.461 -15.420) 16.942 2.950 ( -7.003 -0.461 15.420) 16.942 3.220 ( 2.725 -5.962 -10.259) 12.174 3.220 ( -2.725 -5.962 10.259) 12.174 3.653 ( -8.899 2.507 -13.127) 16.056 3.653 ( 8.899 2.507 13.127) 16.056 3.907 ( -11.239 2.192 1.257) 11.519 3.907 ( 11.239 2.192 -1.257) 11.519 4.447 ( -5.683 10.293 -8.211) 14.341 4.447 ( 5.683 10.293 8.211) 14.341 4.616 ( -3.319 -0.086 -9.818) 10.364 4.616 ( 3.319 -0.086 9.818) 10.364 5.649 ( -3.455 9.606 -2.377) 10.481 5.649 ( 3.455 9.606 2.377) 10.481 6.104 ( -0.503 3.502 -9.267) 9.919 6.104 ( 0.503 3.502 9.267) 9.919 6.278 ( -11.956 10.386 -13.508) 20.816 6.278 ( 11.956 10.386 13.508) 20.816 6.577 ( -4.903 4.078 -2.348) 6.796 6.577 ( 4.903 4.078 2.348) 6.796 7.108 ( 5.980 10.824 -12.872) 17.850 7.108 ( -5.980 10.824 12.872) 17.850 7.274 ( -3.155 10.856 -1.376) 11.388 7.274 ( 3.155 10.856 1.376) 11.388 7.775 ( 1.787 -2.968 -9.667) 10.269 7.775 ( -1.787 -2.968 9.667) 10.269 7.927 ( 8.854 -3.919 -9.448) 13.528 7.927 ( -8.854 -3.919 9.448) 13.528 8.730 ( -0.866 -3.878 -5.516) 6.799 8.730 ( 0.866 -3.878 5.516) 6.799 9.039 ( -2.572 -1.062 -2.938) 4.047 9.039 ( 2.572 -1.062 2.938) 4.047 9.355 ( 4.090 -0.261 -10.705) 11.463 9.355 ( -4.090 -0.261 10.705) 11.463 9.507 ( 3.190 -6.077 -11.129) 13.075 9.507 ( -3.190 -6.077 11.129) 13.075 10.605 ( -7.789 -3.495 -3.546) 9.244 10.605 ( 7.789 -3.495 3.546) 9.244 10.799 ( -6.088 -0.562 -3.357) 6.975 10.799 ( 6.088 -0.562 3.357) 6.975 11.516 ( -2.246 -10.648 -5.304) 12.106 11.516 ( 2.246 -10.648 5.304) 12.106 12.236 ( -7.158 -2.208 -6.708) 10.055 12.236 ( 7.158 -2.208 6.708) 10.055 13.263 ( -7.561 10.234 -8.147) 15.109 13.263 ( 7.561 10.234 8.147) 15.109 13.664 ( -5.745 10.963 -8.052) 14.766 13.664 ( 5.745 10.963 8.052) 14.766 14.574 ( -2.813 1.260 -6.588) 7.273 14.574 ( 2.813 1.260 6.588) 7.273 15.248 ( 4.715 -2.141 -8.098) 9.612 15.248 ( -4.715 -2.141 8.098) 9.612 15.490 ( 1.948 -1.242 -5.331) 5.810 15.490 ( -1.948 -1.242 5.331) 5.810 16.795 ( -0.322 -4.085 -2.277) 4.688 16.795 ( 0.322 -4.085 2.277) 4.688 18.955 ( -2.800 -5.891 -3.826) 7.561 18.955 ( 2.800 -5.891 3.826) 7.561 19.069 ( 2.453 -6.029 -15.328) 16.652 19.069 ( -2.453 -6.029 15.328) 16.652 19.362 ( 2.614 -2.850 -2.069) 4.385 19.362 ( -2.614 -2.850 2.069) 4.385 19.682 ( -4.404 -3.703 -2.745) 6.375 19.682 ( 4.404 -3.703 2.745) 6.375 20.229 ( -8.494 5.424 -1.941) 10.263 20.229 ( 8.494 5.424 1.941) 10.263 20.630 ( -0.916 -4.365 -1.247) 4.631 20.630 ( 0.916 -4.365 1.247) 4.631 21.014 ( -0.453 -0.569 -4.366) 4.426 21.014 ( 0.453 -0.569 4.366) 4.426 21.260 ( 0.565 0.734 -1.483) 1.748 21.260 ( -0.565 0.734 1.483) 1.748 21.555 ( -1.402 -0.317 -1.216) 1.883 21.555 ( 1.402 -0.317 1.216) 1.883 21.984 ( 0.708 1.702 -2.797) 3.349 21.984 ( -0.708 1.702 2.797) 3.349 23.307 ( 2.546 6.454 -10.126) 12.275 23.307 ( -2.546 6.454 10.126) 12.275 23.630 ( -0.971 5.062 -1.378) 5.335 23.630 ( 0.971 5.062 1.378) 5.335 27.417 ( -0.379 0.036 -6.345) 6.356 27.417 ( 0.379 0.036 6.345) 6.356 27.689 ( -3.115 2.222 -5.519) 6.716 27.689 ( 3.115 2.222 5.519) 6.716 31.822 ( -0.427 -2.045 -1.133) 2.377 31.822 ( 0.427 -2.045 1.133) 2.377 31.883 ( -2.274 -1.765 -2.186) 3.615 31.883 ( 2.274 -1.765 2.186) 3.615 36.001 ( -2.953 4.876 -3.062) 6.471 36.001 ( 2.953 4.876 3.062) 6.471 37.109 ( -10.133 12.759 -6.821) 17.663 37.109 ( 10.133 12.759 6.821) 17.663 39.263 ( -4.581 0.117 -0.313) 4.593 39.263 ( 4.581 0.117 0.313) 4.593 39.720 ( 0.631 -5.167 -5.915) 7.880 39.720 ( -0.631 -5.167 5.915) 7.880 41.607 ( -2.360 -2.908 -8.178) 8.995 41.607 ( 2.360 -2.908 8.178) 8.995 41.871 ( 0.899 3.942 -3.048) 5.064 41.871 ( -0.899 3.942 3.048) 5.064 43.386 ( -8.594 7.356 -10.502) 15.435 43.386 ( 8.594 7.356 10.502) 15.435 44.393 ( 1.178 -19.215 -12.438) 22.920 44.393 ( -1.178 -19.215 12.438) 22.920 ======================= Grid point 238 (114/114) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 10.437 -0.000 -5.373) 11.739 2.325 ( -10.437 0.000 5.373) 11.739 2.368 ( -5.751 0.000 -8.636) 10.375 2.368 ( 5.751 -0.000 8.636) 10.375 2.966 ( 7.365 -0.000 -16.838) 18.379 2.966 ( -7.365 0.000 16.838) 18.379 3.124 ( -0.859 0.000 -8.279) 8.324 3.124 ( 0.859 -0.000 8.279) 8.324 3.714 ( -12.691 0.000 -21.937) 25.343 3.714 ( 12.691 -0.000 21.937) 25.343 3.922 ( -15.856 0.000 4.274) 16.422 3.922 ( 15.856 -0.000 -4.274) 16.422 4.565 ( -1.874 0.000 -10.442) 10.609 4.565 ( 1.874 -0.000 10.442) 10.609 4.611 ( -10.649 0.000 -9.534) 14.293 4.611 ( 10.649 -0.000 9.534) 14.293 5.786 ( -3.108 0.000 -3.611) 4.764 5.786 ( 3.108 -0.000 3.611) 4.764 6.132 ( -3.070 0.000 -7.328) 7.945 6.132 ( 3.070 -0.000 7.328) 7.945 6.389 ( -6.021 0.000 -4.604) 7.580 6.389 ( 6.021 -0.000 4.604) 7.580 6.682 ( -12.457 0.000 -12.060) 17.338 6.682 ( 12.457 -0.000 12.060) 17.338 7.263 ( 11.517 -0.000 -9.164) 14.718 7.263 ( -11.517 0.000 9.164) 14.718 7.502 ( 6.714 -0.000 -5.712) 8.815 7.502 ( -6.714 0.000 5.712) 8.815 7.629 ( 8.697 -0.000 -12.339) 15.096 7.629 ( -8.697 0.000 12.339) 15.096 7.940 ( -2.561 0.000 -6.587) 7.067 7.940 ( 2.561 -0.000 6.587) 7.067 8.642 ( 5.032 -0.000 -1.972) 5.405 8.642 ( -5.032 0.000 1.972) 5.405 9.008 ( -1.986 0.000 -2.991) 3.590 9.008 ( 1.986 -0.000 2.991) 3.590 9.330 ( 12.562 -0.000 -15.373) 19.853 9.330 ( -12.562 0.000 15.373) 19.853 9.458 ( -7.810 0.000 -9.527) 12.319 9.458 ( 7.810 -0.000 9.527) 12.319 10.554 ( -10.337 0.000 -3.445) 10.896 10.554 ( 10.337 -0.000 3.445) 10.896 10.788 ( -8.014 0.000 -2.608) 8.428 10.788 ( 8.014 -0.000 2.608) 8.428 11.373 ( -2.262 0.000 -5.437) 5.889 11.373 ( 2.262 -0.000 5.437) 5.889 12.199 ( -7.856 0.000 -3.087) 8.441 12.199 ( 7.856 -0.000 3.087) 8.441 13.404 ( -10.909 0.000 2.346) 11.158 13.404 ( 10.909 -0.000 -2.346) 11.158 13.833 ( -14.823 0.000 -3.782) 15.298 13.833 ( 14.823 -0.000 3.782) 15.298 14.586 ( -2.050 0.000 -4.191) 4.665 14.586 ( 2.050 -0.000 4.191) 4.665 15.218 ( 6.067 -0.000 -7.234) 9.441 15.218 ( -6.067 0.000 7.234) 9.441 15.464 ( 4.511 -0.000 -3.572) 5.754 15.464 ( -4.511 0.000 3.572) 5.754 16.743 ( 0.140 -0.000 -3.390) 3.393 16.743 ( -0.140 0.000 3.390) 3.393 18.850 ( -17.043 0.000 1.681) 17.126 18.850 ( 17.043 -0.000 -1.681) 17.126 19.000 ( 11.916 -0.000 -13.217) 17.795 19.000 ( -11.916 0.000 13.217) 17.795 19.336 ( 0.074 -0.000 -1.764) 1.765 19.336 ( -0.074 0.000 1.764) 1.765 19.640 ( -5.310 0.000 -0.726) 5.359 19.640 ( 5.310 -0.000 0.726) 5.359 20.317 ( -9.230 0.000 -0.948) 9.279 20.317 ( 9.230 -0.000 0.948) 9.279 20.553 ( 0.753 -0.000 -0.284) 0.805 20.553 ( -0.753 0.000 0.284) 0.805 21.006 ( -0.460 0.000 -5.173) 5.193 21.006 ( 0.460 -0.000 5.173) 5.193 21.267 ( -1.829 0.000 0.032) 1.829 21.267 ( 1.829 -0.000 -0.032) 1.829 21.550 ( -1.398 0.000 -0.560) 1.506 21.550 ( 1.398 -0.000 0.560) 1.506 22.005 ( -3.569 0.000 0.602) 3.620 22.005 ( 3.569 -0.000 -0.602) 3.620 23.393 ( 3.202 -0.000 -11.044) 11.499 23.393 ( -3.202 0.000 11.044) 11.499 23.696 ( 9.194 -0.000 -3.230) 9.745 23.696 ( -9.194 0.000 3.230) 9.745 27.417 ( 8.423 -0.000 -3.263) 9.033 27.417 ( -8.423 0.000 3.263) 9.033 27.722 ( -12.489 0.000 2.472) 12.732 27.722 ( 12.489 -0.000 -2.472) 12.732 31.793 ( 0.916 -0.000 -1.339) 1.623 31.793 ( -0.916 0.000 1.339) 1.623 31.860 ( -2.393 0.000 -2.427) 3.408 31.860 ( 2.393 -0.000 2.427) 3.408 36.066 ( -3.163 0.000 -3.274) 4.552 36.066 ( 3.163 -0.000 3.274) 4.552 37.286 ( -18.625 0.000 -0.175) 18.626 37.286 ( 18.625 -0.000 0.175) 18.626 39.257 ( 0.120 -0.000 -0.583) 0.595 39.257 ( -0.120 0.000 0.583) 0.595 39.648 ( 4.416 -0.000 -5.561) 7.102 39.648 ( -4.416 0.000 5.561) 7.102 41.562 ( -2.998 0.000 -9.249) 9.723 41.562 ( 2.998 -0.000 9.249) 9.723 41.923 ( -0.334 0.000 -1.158) 1.205 41.923 ( 0.334 -0.000 1.158) 1.205 43.541 ( -22.343 0.000 -0.309) 22.345 43.541 ( 22.343 -0.000 0.309) 22.345 44.094 ( -24.173 0.000 4.089) 24.516 44.094 ( 24.173 -0.000 -4.089) 24.516 =================== 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 3/41472 10.0 98.305 134.084 324.229 0.000 1.680 -0.000 3/41472 20.0 38.588 42.820 60.945 0.000 -3.940 -0.000 3/41472 30.0 18.186 20.303 27.862 0.000 -1.807 -0.000 3/41472 40.0 11.145 12.421 17.198 0.000 -1.060 -0.000 3/41472 50.0 7.848 8.694 12.217 0.000 -0.722 -0.000 3/41472 60.0 6.001 6.610 9.402 0.000 -0.541 -0.000 3/41472 70.0 4.846 5.311 7.618 0.000 -0.435 -0.000 3/41472 80.0 4.065 4.436 6.397 0.000 -0.365 -0.000 3/41472 90.0 3.506 3.811 5.513 0.000 -0.317 -0.000 3/41472 100.0 3.089 3.345 4.846 0.000 -0.281 -0.000 3/41472 110.0 2.766 2.984 4.326 0.000 -0.253 -0.000 3/41472 120.0 2.509 2.697 3.909 0.000 -0.230 -0.000 3/41472 130.0 2.300 2.464 3.568 0.000 -0.212 -0.000 3/41472 140.0 2.127 2.271 3.284 0.000 -0.197 -0.000 3/41472 150.0 1.981 2.108 3.045 0.000 -0.184 -0.000 3/41472 160.0 1.856 1.969 2.840 0.000 -0.173 -0.000 3/41472 170.0 1.748 1.848 2.664 0.000 -0.164 -0.000 3/41472 180.0 1.653 1.743 2.509 0.000 -0.155 -0.000 3/41472 190.0 1.570 1.650 2.374 0.000 -0.148 -0.000 3/41472 200.0 1.496 1.568 2.253 0.000 -0.142 -0.000 3/41472 210.0 1.430 1.494 2.146 0.000 -0.136 -0.000 3/41472 220.0 1.370 1.428 2.050 0.000 -0.131 -0.000 3/41472 230.0 1.316 1.368 1.963 0.000 -0.127 -0.000 3/41472 240.0 1.266 1.313 1.884 0.000 -0.123 -0.000 3/41472 250.0 1.221 1.263 1.812 0.000 -0.119 -0.000 3/41472 260.0 1.179 1.217 1.747 0.000 -0.116 -0.000 3/41472 270.0 1.141 1.175 1.687 0.000 -0.112 -0.000 3/41472 280.0 1.105 1.136 1.631 0.000 -0.109 -0.000 3/41472 290.0 1.072 1.099 1.580 0.000 -0.106 -0.000 3/41472 300.0 1.041 1.065 1.532 0.000 -0.104 -0.000 3/41472 310.0 1.012 1.034 1.488 0.000 -0.101 -0.000 3/41472 320.0 0.985 1.004 1.447 0.000 -0.099 -0.000 3/41472 330.0 0.959 0.977 1.408 0.000 -0.097 -0.000 3/41472 340.0 0.935 0.951 1.372 0.000 -0.094 -0.000 3/41472 350.0 0.913 0.926 1.338 0.000 -0.092 -0.000 3/41472 360.0 0.891 0.903 1.306 0.000 -0.090 -0.000 3/41472 370.0 0.871 0.881 1.276 0.000 -0.089 -0.000 3/41472 380.0 0.851 0.861 1.248 0.000 -0.087 -0.000 3/41472 390.0 0.833 0.841 1.221 0.000 -0.085 -0.000 3/41472 400.0 0.816 0.822 1.195 0.000 -0.083 -0.000 3/41472 410.0 0.799 0.805 1.171 0.000 -0.082 -0.000 3/41472 420.0 0.783 0.788 1.148 0.000 -0.080 -0.000 3/41472 430.0 0.768 0.772 1.126 0.000 -0.079 -0.000 3/41472 440.0 0.753 0.756 1.105 0.000 -0.077 -0.000 3/41472 450.0 0.739 0.742 1.086 0.000 -0.076 -0.000 3/41472 460.0 0.726 0.728 1.066 0.000 -0.074 -0.000 3/41472 470.0 0.713 0.714 1.048 0.000 -0.073 -0.000 3/41472 480.0 0.701 0.701 1.031 0.000 -0.072 -0.000 3/41472 490.0 0.689 0.689 1.014 0.000 -0.071 -0.000 3/41472 500.0 0.678 0.677 0.998 0.000 -0.069 -0.000 3/41472 510.0 0.666 0.665 0.982 0.000 -0.068 -0.000 3/41472 520.0 0.656 0.654 0.967 0.000 -0.067 -0.000 3/41472 530.0 0.646 0.643 0.953 0.000 -0.066 -0.000 3/41472 540.0 0.636 0.633 0.939 0.000 -0.065 -0.000 3/41472 550.0 0.626 0.623 0.926 0.000 -0.064 -0.000 3/41472 560.0 0.617 0.614 0.913 0.000 -0.063 -0.000 3/41472 570.0 0.608 0.604 0.900 0.000 -0.062 -0.000 3/41472 580.0 0.599 0.595 0.888 0.000 -0.061 -0.000 3/41472 590.0 0.591 0.586 0.876 0.000 -0.060 -0.000 3/41472 600.0 0.582 0.578 0.865 0.000 -0.059 -0.000 3/41472 610.0 0.574 0.570 0.853 0.000 -0.058 -0.000 3/41472 620.0 0.567 0.562 0.843 0.000 -0.058 -0.000 3/41472 630.0 0.559 0.554 0.832 0.000 -0.057 -0.000 3/41472 640.0 0.552 0.547 0.822 0.000 -0.056 -0.000 3/41472 650.0 0.545 0.539 0.812 0.000 -0.055 -0.000 3/41472 660.0 0.538 0.532 0.802 0.000 -0.054 -0.000 3/41472 670.0 0.531 0.525 0.793 0.000 -0.054 -0.000 3/41472 680.0 0.524 0.519 0.784 0.000 -0.053 -0.000 3/41472 690.0 0.518 0.512 0.775 0.000 -0.052 -0.000 3/41472 700.0 0.512 0.506 0.766 0.000 -0.052 -0.000 3/41472 710.0 0.506 0.500 0.758 0.000 -0.051 -0.000 3/41472 720.0 0.500 0.494 0.749 0.000 -0.050 -0.000 3/41472 730.0 0.494 0.488 0.741 0.000 -0.050 -0.000 3/41472 740.0 0.488 0.482 0.733 0.000 -0.049 -0.000 3/41472 750.0 0.483 0.476 0.726 0.000 -0.048 -0.000 3/41472 760.0 0.477 0.471 0.718 0.000 -0.048 -0.000 3/41472 770.0 0.472 0.465 0.711 0.000 -0.047 -0.000 3/41472 780.0 0.467 0.460 0.703 0.000 -0.047 -0.000 3/41472 790.0 0.462 0.455 0.696 0.000 -0.046 -0.000 3/41472 800.0 0.457 0.450 0.689 0.000 -0.046 -0.000 3/41472 810.0 0.452 0.445 0.683 0.000 -0.045 -0.000 3/41472 820.0 0.448 0.440 0.676 0.000 -0.044 -0.000 3/41472 830.0 0.443 0.436 0.669 0.000 -0.044 -0.000 3/41472 840.0 0.438 0.431 0.663 0.000 -0.043 -0.000 3/41472 850.0 0.434 0.427 0.657 0.000 -0.043 -0.000 3/41472 860.0 0.430 0.422 0.651 0.000 -0.043 -0.000 3/41472 870.0 0.425 0.418 0.644 0.000 -0.042 -0.000 3/41472 880.0 0.421 0.414 0.639 0.000 -0.042 -0.000 3/41472 890.0 0.417 0.410 0.633 0.000 -0.041 -0.000 3/41472 900.0 0.413 0.406 0.627 0.000 -0.041 -0.000 3/41472 910.0 0.409 0.402 0.621 0.000 -0.040 -0.000 3/41472 920.0 0.405 0.398 0.616 0.000 -0.040 -0.000 3/41472 930.0 0.402 0.394 0.611 0.000 -0.039 -0.000 3/41472 940.0 0.398 0.390 0.605 0.000 -0.039 -0.000 3/41472 950.0 0.394 0.387 0.600 0.000 -0.039 -0.000 3/41472 960.0 0.391 0.383 0.595 0.000 -0.038 -0.000 3/41472 970.0 0.387 0.380 0.590 0.000 -0.038 -0.000 3/41472 980.0 0.384 0.376 0.585 0.000 -0.038 -0.000 3/41472 990.0 0.380 0.373 0.580 0.000 -0.037 -0.000 3/41472 1000.0 0.377 0.369 0.575 0.000 -0.037 -0.000 3/41472 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:36:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|