----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:51:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.944248040000002 0.000000000000000 0.000000000000000 b 0.000000000000000 5.760002560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.074000260000000 Atomic positions (fractional): *1 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 2 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 3 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *5 B 0.72789116886998 0.75000000000000 0.75827144548953 10.811 6 B 0.22789116886998 0.75000000000000 0.74172855451047 10.811 7 B 0.77210883113002 0.25000000000000 0.25827144548953 10.811 8 B 0.27210883113002 0.25000000000000 0.24172855451047 10.811 *9 Pb 0.06148826603552 0.25000000000000 0.63796796682176 207.200 10 Pb 0.56148826603552 0.25000000000000 0.86203203317824 207.200 11 Pb 0.93851173396448 0.75000000000000 0.36203203317824 207.200 12 Pb 0.43851173396448 0.75000000000000 0.13796796682176 207.200 *13 O 0.17246124759052 0.95693025363499 0.81512987897855 15.999 14 O 0.67246124759052 0.95693025363499 0.68487012102145 15.999 15 O 0.32753875240948 0.45693025363500 0.31512987897855 15.999 *16 O 0.10143992218290 0.75000000000000 0.11065552801262 15.999 17 O 0.32753875240948 0.04306974636500 0.31512987897855 15.999 18 O 0.89856007781711 0.25000000000000 0.88934447198738 15.999 *19 O 0.33366543039282 0.75000000000000 0.59671950966097 15.999 20 O 0.16633456960718 0.25000000000000 0.09671950966097 15.999 21 O 0.17246124759052 0.54306974636501 0.81512987897855 15.999 22 O 0.82753875240948 0.04306974636500 0.18487012102145 15.999 23 O 0.66633456960718 0.25000000000000 0.40328049033903 15.999 24 O 0.60143992218289 0.75000000000000 0.38934447198738 15.999 25 O 0.67246124759052 0.54306974636501 0.68487012102145 15.999 26 O 0.83366543039282 0.75000000000000 0.90328049033903 15.999 27 O 0.39856007781711 0.25000000000000 0.61065552801262 15.999 28 O 0.82753875240948 0.45693025363500 0.18487012102145 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.944248040000002 0.000000000000000 0.000000000000000 b 0.000000000000000 5.760002560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.074000260000000 Atomic positions (fractional): *1 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 1 2 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 2 3 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 3 4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 4 *5 B 0.72789116886998 0.75000000000000 0.75827144548953 10.811 > 5 6 B 0.22789116886998 0.75000000000000 0.74172855451047 10.811 > 6 7 B 0.77210883113002 0.25000000000000 0.25827144548953 10.811 > 7 8 B 0.27210883113002 0.25000000000000 0.24172855451047 10.811 > 8 *9 Pb 0.06148826603552 0.25000000000000 0.63796796682176 207.200 > 9 10 Pb 0.56148826603552 0.25000000000000 0.86203203317824 207.200 > 10 11 Pb 0.93851173396448 0.75000000000000 0.36203203317824 207.200 > 11 12 Pb 0.43851173396448 0.75000000000000 0.13796796682176 207.200 > 12 *13 O 0.17246124759052 0.95693025363499 0.81512987897855 15.999 > 13 14 O 0.67246124759052 0.95693025363499 0.68487012102145 15.999 > 14 15 O 0.32753875240948 0.45693025363500 0.31512987897855 15.999 > 15 *16 O 0.10143992218290 0.75000000000000 0.11065552801262 15.999 > 16 17 O 0.32753875240948 0.04306974636500 0.31512987897855 15.999 > 17 18 O 0.89856007781711 0.25000000000000 0.88934447198738 15.999 > 18 *19 O 0.33366543039282 0.75000000000000 0.59671950966097 15.999 > 19 20 O 0.16633456960718 0.25000000000000 0.09671950966097 15.999 > 20 21 O 0.17246124759052 0.54306974636501 0.81512987897855 15.999 > 21 22 O 0.82753875240948 0.04306974636500 0.18487012102145 15.999 > 22 23 O 0.66633456960718 0.25000000000000 0.40328049033903 15.999 > 23 24 O 0.60143992218289 0.75000000000000 0.38934447198738 15.999 > 24 25 O 0.67246124759052 0.54306974636501 0.68487012102145 15.999 > 25 26 O 0.83366543039282 0.75000000000000 0.90328049033903 15.999 > 26 27 O 0.39856007781711 0.25000000000000 0.61065552801262 15.999 > 27 28 O 0.82753875240948 0.45693025363500 0.18487012102145 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.888496080000005 0.000000000000000 0.000000000000000 b 0.000000000000000 11.520005120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.074000260000000 Atomic positions (fractional): *1 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 1 2 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 1 3 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 1 4 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 1 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 2 6 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 2 7 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 2 8 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 2 9 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 3 10 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 3 11 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 3 12 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 3 13 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 4 14 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 4 15 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 4 16 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 4 *17 B 0.36394558443499 0.37500000000000 0.75827144548953 10.811 > 5 18 B 0.86394558443499 0.37500000000000 0.75827144548953 10.811 > 5 19 B 0.36394558443499 0.87500000000000 0.75827144548953 10.811 > 5 20 B 0.86394558443499 0.87500000000000 0.75827144548953 10.811 > 5 21 B 0.11394558443499 0.37500000000000 0.74172855451047 10.811 > 6 22 B 0.61394558443499 0.37500000000000 0.74172855451047 10.811 > 6 23 B 0.11394558443499 0.87500000000000 0.74172855451047 10.811 > 6 24 B 0.61394558443499 0.87500000000000 0.74172855451047 10.811 > 6 25 B 0.38605441556501 0.12500000000000 0.25827144548953 10.811 > 7 26 B 0.88605441556501 0.12500000000000 0.25827144548953 10.811 > 7 27 B 0.38605441556501 0.62500000000000 0.25827144548953 10.811 > 7 28 B 0.88605441556501 0.62500000000000 0.25827144548953 10.811 > 7 29 B 0.13605441556501 0.12500000000000 0.24172855451047 10.811 > 8 30 B 0.63605441556501 0.12500000000000 0.24172855451047 10.811 > 8 31 B 0.13605441556501 0.62500000000000 0.24172855451047 10.811 > 8 32 B 0.63605441556501 0.62500000000000 0.24172855451047 10.811 > 8 *33 Pb 0.03074413301776 0.12500000000000 0.63796796682176 207.200 > 9 34 Pb 0.53074413301776 0.12500000000000 0.63796796682176 207.200 > 9 35 Pb 0.03074413301776 0.62500000000000 0.63796796682176 207.200 > 9 36 Pb 0.53074413301776 0.62500000000000 0.63796796682176 207.200 > 9 37 Pb 0.28074413301776 0.12500000000000 0.86203203317824 207.200 > 10 38 Pb 0.78074413301776 0.12500000000000 0.86203203317824 207.200 > 10 39 Pb 0.28074413301776 0.62500000000000 0.86203203317824 207.200 > 10 40 Pb 0.78074413301776 0.62500000000000 0.86203203317824 207.200 > 10 41 Pb 0.46925586698224 0.37500000000000 0.36203203317824 207.200 > 11 42 Pb 0.96925586698224 0.37500000000000 0.36203203317824 207.200 > 11 43 Pb 0.46925586698224 0.87500000000000 0.36203203317824 207.200 > 11 44 Pb 0.96925586698224 0.87500000000000 0.36203203317824 207.200 > 11 45 Pb 0.21925586698224 0.37500000000000 0.13796796682176 207.200 > 12 46 Pb 0.71925586698224 0.37500000000000 0.13796796682176 207.200 > 12 47 Pb 0.21925586698224 0.87500000000000 0.13796796682176 207.200 > 12 48 Pb 0.71925586698224 0.87500000000000 0.13796796682176 207.200 > 12 *49 O 0.08623062379526 0.47846512681750 0.81512987897855 15.999 > 13 50 O 0.58623062379526 0.47846512681750 0.81512987897855 15.999 > 13 51 O 0.08623062379526 0.97846512681750 0.81512987897855 15.999 > 13 52 O 0.58623062379526 0.97846512681750 0.81512987897855 15.999 > 13 53 O 0.33623062379526 0.47846512681750 0.68487012102145 15.999 > 14 54 O 0.83623062379526 0.47846512681750 0.68487012102145 15.999 > 14 55 O 0.33623062379526 0.97846512681750 0.68487012102145 15.999 > 14 56 O 0.83623062379526 0.97846512681750 0.68487012102145 15.999 > 14 57 O 0.16376937620474 0.22846512681750 0.31512987897855 15.999 > 15 58 O 0.66376937620474 0.22846512681750 0.31512987897855 15.999 > 15 59 O 0.16376937620474 0.72846512681750 0.31512987897855 15.999 > 15 60 O 0.66376937620474 0.72846512681750 0.31512987897855 15.999 > 15 *61 O 0.05071996109145 0.37500000000000 0.11065552801262 15.999 > 16 62 O 0.55071996109145 0.37500000000000 0.11065552801262 15.999 > 16 63 O 0.05071996109145 0.87500000000000 0.11065552801262 15.999 > 16 64 O 0.55071996109145 0.87500000000000 0.11065552801262 15.999 > 16 65 O 0.16376937620474 0.02153487318250 0.31512987897855 15.999 > 17 66 O 0.66376937620474 0.02153487318250 0.31512987897855 15.999 > 17 67 O 0.16376937620474 0.52153487318250 0.31512987897855 15.999 > 17 68 O 0.66376937620474 0.52153487318250 0.31512987897855 15.999 > 17 69 O 0.44928003890855 0.12500000000000 0.88934447198738 15.999 > 18 70 O 0.94928003890855 0.12500000000000 0.88934447198738 15.999 > 18 71 O 0.44928003890855 0.62500000000000 0.88934447198738 15.999 > 18 72 O 0.94928003890855 0.62500000000000 0.88934447198738 15.999 > 18 *73 O 0.16683271519641 0.37500000000000 0.59671950966097 15.999 > 19 74 O 0.66683271519641 0.37500000000000 0.59671950966097 15.999 > 19 75 O 0.16683271519641 0.87500000000000 0.59671950966097 15.999 > 19 76 O 0.66683271519641 0.87500000000000 0.59671950966097 15.999 > 19 77 O 0.08316728480359 0.12500000000000 0.09671950966097 15.999 > 20 78 O 0.58316728480359 0.12500000000000 0.09671950966097 15.999 > 20 79 O 0.08316728480359 0.62500000000000 0.09671950966097 15.999 > 20 80 O 0.58316728480359 0.62500000000000 0.09671950966097 15.999 > 20 81 O 0.08623062379526 0.27153487318250 0.81512987897855 15.999 > 21 82 O 0.58623062379526 0.27153487318250 0.81512987897855 15.999 > 21 83 O 0.08623062379526 0.77153487318250 0.81512987897855 15.999 > 21 84 O 0.58623062379526 0.77153487318250 0.81512987897855 15.999 > 21 85 O 0.41376937620474 0.02153487318250 0.18487012102145 15.999 > 22 86 O 0.91376937620474 0.02153487318250 0.18487012102145 15.999 > 22 87 O 0.41376937620474 0.52153487318250 0.18487012102145 15.999 > 22 88 O 0.91376937620474 0.52153487318250 0.18487012102145 15.999 > 22 89 O 0.33316728480359 0.12500000000000 0.40328049033903 15.999 > 23 90 O 0.83316728480359 0.12500000000000 0.40328049033903 15.999 > 23 91 O 0.33316728480359 0.62500000000000 0.40328049033903 15.999 > 23 92 O 0.83316728480359 0.62500000000000 0.40328049033903 15.999 > 23 93 O 0.30071996109145 0.37500000000000 0.38934447198738 15.999 > 24 94 O 0.80071996109145 0.37500000000000 0.38934447198738 15.999 > 24 95 O 0.30071996109145 0.87500000000000 0.38934447198738 15.999 > 24 96 O 0.80071996109145 0.87500000000000 0.38934447198738 15.999 > 24 97 O 0.33623062379526 0.27153487318250 0.68487012102145 15.999 > 25 98 O 0.83623062379526 0.27153487318250 0.68487012102145 15.999 > 25 99 O 0.33623062379526 0.77153487318250 0.68487012102145 15.999 > 25 100 O 0.83623062379526 0.77153487318250 0.68487012102145 15.999 > 25 101 O 0.41683271519641 0.37500000000000 0.90328049033903 15.999 > 26 102 O 0.91683271519641 0.37500000000000 0.90328049033903 15.999 > 26 103 O 0.41683271519641 0.87500000000000 0.90328049033903 15.999 > 26 104 O 0.91683271519641 0.87500000000000 0.90328049033903 15.999 > 26 105 O 0.19928003890855 0.12500000000000 0.61065552801262 15.999 > 27 106 O 0.69928003890855 0.12500000000000 0.61065552801262 15.999 > 27 107 O 0.19928003890855 0.62500000000000 0.61065552801262 15.999 > 27 108 O 0.69928003890855 0.62500000000000 0.61065552801262 15.999 > 27 109 O 0.41376937620474 0.22846512681750 0.18487012102145 15.999 > 28 110 O 0.91376937620474 0.22846512681750 0.18487012102145 15.999 > 28 111 O 0.41376937620474 0.72846512681750 0.18487012102145 15.999 > 28 112 O 0.91376937620474 0.72846512681750 0.18487012102145 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0315765 0.0000000 0.0000000 0.0000000 4.5935119 0.0000000 0.0000000 0.0000000 4.3602299 -------------------------- Born effective charges -------------------------- 1 Al 2.7951040 0.1170959 -0.1903636 0.1172764 3.0394232 0.0447468 -0.0431562 0.2037495 3.4668279 2 Al 2.7951040 0.1170959 0.1903636 0.1172764 3.0394232 -0.0447468 0.0431562 -0.2037495 3.4668279 3 Al 2.7951040 -0.1170959 0.1903636 -0.1172764 3.0394232 0.0447468 0.0431562 0.2037495 3.4668279 4 Al 2.7951040 -0.1170959 -0.1903636 -0.1172764 3.0394232 -0.0447468 -0.0431562 -0.2037495 3.4668279 5 B 1.2365444 0.0000000 1.1625259 0.0000000 3.4688145 0.0000000 0.8233030 0.0000000 1.9310228 6 B 1.2365444 0.0000000 -1.1625259 0.0000000 3.4688145 0.0000000 -0.8233030 0.0000000 1.9310228 7 B 1.2365444 0.0000000 -1.1625259 0.0000000 3.4688145 0.0000000 -0.8233030 0.0000000 1.9310228 8 B 1.2365444 0.0000000 1.1625259 0.0000000 3.4688145 0.0000000 0.8233030 0.0000000 1.9310228 9 Pb 3.6061880 0.0000000 -0.4597258 0.0000000 2.5540693 0.0000000 -0.1249212 0.0000000 2.8301946 10 Pb 3.6061880 0.0000000 0.4597258 0.0000000 2.5540693 0.0000000 0.1249212 0.0000000 2.8301946 11 Pb 3.6061880 0.0000000 -0.4597258 0.0000000 2.5540693 0.0000000 -0.1249212 0.0000000 2.8301946 12 Pb 3.6061880 0.0000000 0.4597258 0.0000000 2.5540693 0.0000000 0.1249212 0.0000000 2.8301946 13 O -1.5762827 0.4451126 0.2556829 0.6611367 -2.8351138 0.1234469 0.1074830 0.0163830 -1.9108292 14 O -1.5762827 0.4451126 -0.2556829 0.6611367 -2.8351138 -0.1234469 -0.1074830 -0.0163830 -1.9108292 15 O -1.5762827 -0.4451126 -0.2556829 -0.6611367 -2.8351138 0.1234469 -0.1074830 0.0163830 -1.9108292 16 O -2.5928136 0.0000000 0.3884613 0.0000000 -1.6977114 0.0000000 0.2203517 0.0000000 -2.3468531 17 O -1.5762827 0.4451126 -0.2556829 0.6611367 -2.8351138 -0.1234469 -0.1074830 -0.0163830 -1.9108292 18 O -2.5928136 0.0000000 0.3884613 0.0000000 -1.6977114 0.0000000 0.2203517 0.0000000 -2.3468531 19 O -1.8924574 0.0000000 0.8268160 0.0000000 -1.6943680 0.0000000 0.5796096 0.0000000 -2.0595337 20 O -1.8924574 0.0000000 -0.8268160 0.0000000 -1.6943680 0.0000000 -0.5796096 0.0000000 -2.0595337 21 O -1.5762827 -0.4451126 0.2556829 -0.6611367 -2.8351138 -0.1234469 0.1074830 -0.0163830 -1.9108292 22 O -1.5762827 0.4451126 0.2556829 0.6611367 -2.8351138 0.1234469 0.1074830 0.0163830 -1.9108292 23 O -1.8924574 0.0000000 0.8268160 0.0000000 -1.6943680 0.0000000 0.5796096 0.0000000 -2.0595337 24 O -2.5928136 0.0000000 -0.3884613 0.0000000 -1.6977114 0.0000000 -0.2203517 0.0000000 -2.3468531 25 O -1.5762827 -0.4451126 -0.2556829 -0.6611367 -2.8351138 0.1234469 -0.1074830 0.0163830 -1.9108292 26 O -1.8924574 0.0000000 -0.8268160 0.0000000 -1.6943680 0.0000000 -0.5796096 0.0000000 -2.0595337 27 O -2.5928136 0.0000000 -0.3884613 0.0000000 -1.6977114 0.0000000 -0.2203517 0.0000000 -2.3468531 28 O -1.5762827 -0.4451126 0.2556829 -0.6611367 -2.8351138 -0.1234469 0.1074830 -0.0163830 -1.9108292 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1889 Number of blocks in projector: 1889 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1889, 1851), data: False |-- (257, 251), data: True |-- (257, 251), data: True |-- (257, 251), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.019 Solver_block: 200 / 480 - Time: 2.984 Solver_block: 300 / 480 - Time: 2.978 Solver_block: 400 / 480 - Time: 2.983 Solver_block: 480 / 480 - Time: 2.420 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.433 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1889 Number of blocks in projector: 1889 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1889, 1851), data: False |-- (257, 251), data: True |-- (257, 251), data: True |-- (257, 251), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:52:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:52:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.944248040000002 0.000000000000000 0.000000000000000 b 0.000000000000000 5.760002560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.074000260000000 Atomic positions (fractional): 1 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 2 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 3 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 5 B 0.72789116886998 0.75000000000000 0.75827144548953 10.811 6 B 0.22789116886998 0.75000000000000 0.74172855451047 10.811 7 B 0.77210883113002 0.25000000000000 0.25827144548953 10.811 8 B 0.27210883113002 0.25000000000000 0.24172855451047 10.811 9 Pb 0.06148826603552 0.25000000000000 0.63796796682176 207.200 10 Pb 0.56148826603552 0.25000000000000 0.86203203317824 207.200 11 Pb 0.93851173396448 0.75000000000000 0.36203203317824 207.200 12 Pb 0.43851173396448 0.75000000000000 0.13796796682176 207.200 13 O 0.17246124759052 0.95693025363499 0.81512987897855 15.999 14 O 0.67246124759052 0.95693025363499 0.68487012102145 15.999 15 O 0.32753875240948 0.45693025363500 0.31512987897855 15.999 16 O 0.10143992218290 0.75000000000000 0.11065552801262 15.999 17 O 0.32753875240948 0.04306974636500 0.31512987897855 15.999 18 O 0.89856007781711 0.25000000000000 0.88934447198738 15.999 19 O 0.33366543039282 0.75000000000000 0.59671950966097 15.999 20 O 0.16633456960718 0.25000000000000 0.09671950966097 15.999 21 O 0.17246124759052 0.54306974636501 0.81512987897855 15.999 22 O 0.82753875240948 0.04306974636500 0.18487012102145 15.999 23 O 0.66633456960718 0.25000000000000 0.40328049033903 15.999 24 O 0.60143992218289 0.75000000000000 0.38934447198738 15.999 25 O 0.67246124759052 0.54306974636501 0.68487012102145 15.999 26 O 0.83366543039282 0.75000000000000 0.90328049033903 15.999 27 O 0.39856007781711 0.25000000000000 0.61065552801262 15.999 28 O 0.82753875240948 0.45693025363500 0.18487012102145 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.888496080000005 0.000000000000000 0.000000000000000 b 0.000000000000000 11.520005120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.074000260000000 Atomic positions (fractional): 1 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 1 2 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 1 3 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 1 4 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 1 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 5 6 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 5 7 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 5 8 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 5 9 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 9 11 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 9 12 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 9 13 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 13 14 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 13 15 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 13 16 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 13 17 B 0.36394558443499 0.37500000000000 0.75827144548953 10.811 > 17 18 B 0.86394558443499 0.37500000000000 0.75827144548953 10.811 > 17 19 B 0.36394558443499 0.87500000000000 0.75827144548953 10.811 > 17 20 B 0.86394558443499 0.87500000000000 0.75827144548953 10.811 > 17 21 B 0.11394558443499 0.37500000000000 0.74172855451047 10.811 > 21 22 B 0.61394558443499 0.37500000000000 0.74172855451047 10.811 > 21 23 B 0.11394558443499 0.87500000000000 0.74172855451047 10.811 > 21 24 B 0.61394558443499 0.87500000000000 0.74172855451047 10.811 > 21 25 B 0.38605441556501 0.12500000000000 0.25827144548953 10.811 > 25 26 B 0.88605441556501 0.12500000000000 0.25827144548953 10.811 > 25 27 B 0.38605441556501 0.62500000000000 0.25827144548953 10.811 > 25 28 B 0.88605441556501 0.62500000000000 0.25827144548953 10.811 > 25 29 B 0.13605441556501 0.12500000000000 0.24172855451047 10.811 > 29 30 B 0.63605441556501 0.12500000000000 0.24172855451047 10.811 > 29 31 B 0.13605441556501 0.62500000000000 0.24172855451047 10.811 > 29 32 B 0.63605441556501 0.62500000000000 0.24172855451047 10.811 > 29 33 Pb 0.03074413301776 0.12500000000000 0.63796796682176 207.200 > 33 34 Pb 0.53074413301776 0.12500000000000 0.63796796682176 207.200 > 33 35 Pb 0.03074413301776 0.62500000000000 0.63796796682176 207.200 > 33 36 Pb 0.53074413301776 0.62500000000000 0.63796796682176 207.200 > 33 37 Pb 0.28074413301776 0.12500000000000 0.86203203317824 207.200 > 37 38 Pb 0.78074413301776 0.12500000000000 0.86203203317824 207.200 > 37 39 Pb 0.28074413301776 0.62500000000000 0.86203203317824 207.200 > 37 40 Pb 0.78074413301776 0.62500000000000 0.86203203317824 207.200 > 37 41 Pb 0.46925586698224 0.37500000000000 0.36203203317824 207.200 > 41 42 Pb 0.96925586698224 0.37500000000000 0.36203203317824 207.200 > 41 43 Pb 0.46925586698224 0.87500000000000 0.36203203317824 207.200 > 41 44 Pb 0.96925586698224 0.87500000000000 0.36203203317824 207.200 > 41 45 Pb 0.21925586698224 0.37500000000000 0.13796796682176 207.200 > 45 46 Pb 0.71925586698224 0.37500000000000 0.13796796682176 207.200 > 45 47 Pb 0.21925586698224 0.87500000000000 0.13796796682176 207.200 > 45 48 Pb 0.71925586698224 0.87500000000000 0.13796796682176 207.200 > 45 49 O 0.08623062379526 0.47846512681750 0.81512987897855 15.999 > 49 50 O 0.58623062379526 0.47846512681750 0.81512987897855 15.999 > 49 51 O 0.08623062379526 0.97846512681750 0.81512987897855 15.999 > 49 52 O 0.58623062379526 0.97846512681750 0.81512987897855 15.999 > 49 53 O 0.33623062379526 0.47846512681750 0.68487012102145 15.999 > 53 54 O 0.83623062379526 0.47846512681750 0.68487012102145 15.999 > 53 55 O 0.33623062379526 0.97846512681750 0.68487012102145 15.999 > 53 56 O 0.83623062379526 0.97846512681750 0.68487012102145 15.999 > 53 57 O 0.16376937620474 0.22846512681750 0.31512987897855 15.999 > 57 58 O 0.66376937620474 0.22846512681750 0.31512987897855 15.999 > 57 59 O 0.16376937620474 0.72846512681750 0.31512987897855 15.999 > 57 60 O 0.66376937620474 0.72846512681750 0.31512987897855 15.999 > 57 61 O 0.05071996109145 0.37500000000000 0.11065552801262 15.999 > 61 62 O 0.55071996109145 0.37500000000000 0.11065552801262 15.999 > 61 63 O 0.05071996109145 0.87500000000000 0.11065552801262 15.999 > 61 64 O 0.55071996109145 0.87500000000000 0.11065552801262 15.999 > 61 65 O 0.16376937620474 0.02153487318250 0.31512987897855 15.999 > 65 66 O 0.66376937620474 0.02153487318250 0.31512987897855 15.999 > 65 67 O 0.16376937620474 0.52153487318250 0.31512987897855 15.999 > 65 68 O 0.66376937620474 0.52153487318250 0.31512987897855 15.999 > 65 69 O 0.44928003890855 0.12500000000000 0.88934447198738 15.999 > 69 70 O 0.94928003890855 0.12500000000000 0.88934447198738 15.999 > 69 71 O 0.44928003890855 0.62500000000000 0.88934447198738 15.999 > 69 72 O 0.94928003890855 0.62500000000000 0.88934447198738 15.999 > 69 73 O 0.16683271519641 0.37500000000000 0.59671950966097 15.999 > 73 74 O 0.66683271519641 0.37500000000000 0.59671950966097 15.999 > 73 75 O 0.16683271519641 0.87500000000000 0.59671950966097 15.999 > 73 76 O 0.66683271519641 0.87500000000000 0.59671950966097 15.999 > 73 77 O 0.08316728480359 0.12500000000000 0.09671950966097 15.999 > 77 78 O 0.58316728480359 0.12500000000000 0.09671950966097 15.999 > 77 79 O 0.08316728480359 0.62500000000000 0.09671950966097 15.999 > 77 80 O 0.58316728480359 0.62500000000000 0.09671950966097 15.999 > 77 81 O 0.08623062379526 0.27153487318250 0.81512987897855 15.999 > 81 82 O 0.58623062379526 0.27153487318250 0.81512987897855 15.999 > 81 83 O 0.08623062379526 0.77153487318250 0.81512987897855 15.999 > 81 84 O 0.58623062379526 0.77153487318250 0.81512987897855 15.999 > 81 85 O 0.41376937620474 0.02153487318250 0.18487012102145 15.999 > 85 86 O 0.91376937620474 0.02153487318250 0.18487012102145 15.999 > 85 87 O 0.41376937620474 0.52153487318250 0.18487012102145 15.999 > 85 88 O 0.91376937620474 0.52153487318250 0.18487012102145 15.999 > 85 89 O 0.33316728480359 0.12500000000000 0.40328049033903 15.999 > 89 90 O 0.83316728480359 0.12500000000000 0.40328049033903 15.999 > 89 91 O 0.33316728480359 0.62500000000000 0.40328049033903 15.999 > 89 92 O 0.83316728480359 0.62500000000000 0.40328049033903 15.999 > 89 93 O 0.30071996109145 0.37500000000000 0.38934447198738 15.999 > 93 94 O 0.80071996109145 0.37500000000000 0.38934447198738 15.999 > 93 95 O 0.30071996109145 0.87500000000000 0.38934447198738 15.999 > 93 96 O 0.80071996109145 0.87500000000000 0.38934447198738 15.999 > 93 97 O 0.33623062379526 0.27153487318250 0.68487012102145 15.999 > 97 98 O 0.83623062379526 0.27153487318250 0.68487012102145 15.999 > 97 99 O 0.33623062379526 0.77153487318250 0.68487012102145 15.999 > 97 100 O 0.83623062379526 0.77153487318250 0.68487012102145 15.999 > 97 101 O 0.41683271519641 0.37500000000000 0.90328049033903 15.999 > 101 102 O 0.91683271519641 0.37500000000000 0.90328049033903 15.999 > 101 103 O 0.41683271519641 0.87500000000000 0.90328049033903 15.999 > 101 104 O 0.91683271519641 0.87500000000000 0.90328049033903 15.999 > 101 105 O 0.19928003890855 0.12500000000000 0.61065552801262 15.999 > 105 106 O 0.69928003890855 0.12500000000000 0.61065552801262 15.999 > 105 107 O 0.19928003890855 0.62500000000000 0.61065552801262 15.999 > 105 108 O 0.69928003890855 0.62500000000000 0.61065552801262 15.999 > 105 109 O 0.41376937620474 0.22846512681750 0.18487012102145 15.999 > 109 110 O 0.91376937620474 0.22846512681750 0.18487012102145 15.999 > 109 111 O 0.41376937620474 0.72846512681750 0.18487012102145 15.999 > 109 112 O 0.91376937620474 0.72846512681750 0.18487012102145 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0315765 0.0000000 0.0000000 0.0000000 4.5935119 0.0000000 0.0000000 0.0000000 4.3602299 -------------------------- Born effective charges -------------------------- 1 Al 2.7951040 0.1170959 -0.1903636 0.1172764 3.0394232 0.0447468 -0.0431562 0.2037495 3.4668279 2 Al 2.7951040 0.1170959 0.1903636 0.1172764 3.0394232 -0.0447468 0.0431562 -0.2037495 3.4668279 3 Al 2.7951040 -0.1170959 0.1903636 -0.1172764 3.0394232 0.0447468 0.0431562 0.2037495 3.4668279 4 Al 2.7951040 -0.1170959 -0.1903636 -0.1172764 3.0394232 -0.0447468 -0.0431562 -0.2037495 3.4668279 5 B 1.2365444 0.0000000 1.1625259 0.0000000 3.4688145 0.0000000 0.8233030 0.0000000 1.9310228 6 B 1.2365444 0.0000000 -1.1625259 0.0000000 3.4688145 0.0000000 -0.8233030 0.0000000 1.9310228 7 B 1.2365444 0.0000000 -1.1625259 0.0000000 3.4688145 0.0000000 -0.8233030 0.0000000 1.9310228 8 B 1.2365444 0.0000000 1.1625259 0.0000000 3.4688145 0.0000000 0.8233030 0.0000000 1.9310228 9 Pb 3.6061880 0.0000000 -0.4597258 0.0000000 2.5540693 0.0000000 -0.1249212 0.0000000 2.8301946 10 Pb 3.6061880 0.0000000 0.4597258 0.0000000 2.5540693 0.0000000 0.1249212 0.0000000 2.8301946 11 Pb 3.6061880 0.0000000 -0.4597258 0.0000000 2.5540693 0.0000000 -0.1249212 0.0000000 2.8301946 12 Pb 3.6061880 0.0000000 0.4597258 0.0000000 2.5540693 0.0000000 0.1249212 0.0000000 2.8301946 13 O -1.5762827 0.4451126 0.2556829 0.6611367 -2.8351138 0.1234469 0.1074830 0.0163830 -1.9108292 14 O -1.5762827 0.4451126 -0.2556829 0.6611367 -2.8351138 -0.1234469 -0.1074830 -0.0163830 -1.9108292 15 O -1.5762827 -0.4451126 -0.2556829 -0.6611367 -2.8351138 0.1234469 -0.1074830 0.0163830 -1.9108292 16 O -2.5928136 0.0000000 0.3884613 0.0000000 -1.6977114 0.0000000 0.2203517 0.0000000 -2.3468531 17 O -1.5762827 0.4451126 -0.2556829 0.6611367 -2.8351138 -0.1234469 -0.1074830 -0.0163830 -1.9108292 18 O -2.5928136 0.0000000 0.3884613 0.0000000 -1.6977114 0.0000000 0.2203517 0.0000000 -2.3468531 19 O -1.8924574 0.0000000 0.8268160 0.0000000 -1.6943680 0.0000000 0.5796096 0.0000000 -2.0595337 20 O -1.8924574 0.0000000 -0.8268160 0.0000000 -1.6943680 0.0000000 -0.5796096 0.0000000 -2.0595337 21 O -1.5762827 -0.4451126 0.2556829 -0.6611367 -2.8351138 -0.1234469 0.1074830 -0.0163830 -1.9108292 22 O -1.5762827 0.4451126 0.2556829 0.6611367 -2.8351138 0.1234469 0.1074830 0.0163830 -1.9108292 23 O -1.8924574 0.0000000 0.8268160 0.0000000 -1.6943680 0.0000000 0.5796096 0.0000000 -2.0595337 24 O -2.5928136 0.0000000 -0.3884613 0.0000000 -1.6977114 0.0000000 -0.2203517 0.0000000 -2.3468531 25 O -1.5762827 -0.4451126 -0.2556829 -0.6611367 -2.8351138 0.1234469 -0.1074830 0.0163830 -1.9108292 26 O -1.8924574 0.0000000 -0.8268160 0.0000000 -1.6943680 0.0000000 -0.5796096 0.0000000 -2.0595337 27 O -2.5928136 0.0000000 -0.3884613 0.0000000 -1.6977114 0.0000000 -0.2203517 0.0000000 -2.3468531 28 O -1.5762827 -0.4451126 0.2556829 -0.6611367 -2.8351138 -0.1234469 0.1074830 -0.0163830 -1.9108292 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:52:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:52:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.944248040000002 0.000000000000000 0.000000000000000 b 0.000000000000000 5.760002560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.074000260000000 Atomic positions (fractional): 1 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 2 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 3 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 5 B 0.72789116886998 0.75000000000000 0.75827144548953 10.811 6 B 0.22789116886998 0.75000000000000 0.74172855451047 10.811 7 B 0.77210883113002 0.25000000000000 0.25827144548953 10.811 8 B 0.27210883113002 0.25000000000000 0.24172855451047 10.811 9 Pb 0.06148826603552 0.25000000000000 0.63796796682176 207.200 10 Pb 0.56148826603552 0.25000000000000 0.86203203317824 207.200 11 Pb 0.93851173396448 0.75000000000000 0.36203203317824 207.200 12 Pb 0.43851173396448 0.75000000000000 0.13796796682176 207.200 13 O 0.17246124759052 0.95693025363499 0.81512987897855 15.999 14 O 0.67246124759052 0.95693025363499 0.68487012102145 15.999 15 O 0.32753875240948 0.45693025363500 0.31512987897855 15.999 16 O 0.10143992218290 0.75000000000000 0.11065552801262 15.999 17 O 0.32753875240948 0.04306974636500 0.31512987897855 15.999 18 O 0.89856007781711 0.25000000000000 0.88934447198738 15.999 19 O 0.33366543039282 0.75000000000000 0.59671950966097 15.999 20 O 0.16633456960718 0.25000000000000 0.09671950966097 15.999 21 O 0.17246124759052 0.54306974636501 0.81512987897855 15.999 22 O 0.82753875240948 0.04306974636500 0.18487012102145 15.999 23 O 0.66633456960718 0.25000000000000 0.40328049033903 15.999 24 O 0.60143992218289 0.75000000000000 0.38934447198738 15.999 25 O 0.67246124759052 0.54306974636501 0.68487012102145 15.999 26 O 0.83366543039282 0.75000000000000 0.90328049033903 15.999 27 O 0.39856007781711 0.25000000000000 0.61065552801262 15.999 28 O 0.82753875240948 0.45693025363500 0.18487012102145 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.888496080000005 0.000000000000000 0.000000000000000 b 0.000000000000000 11.520005120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.074000260000000 Atomic positions (fractional): 1 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 1 2 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 1 3 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 1 4 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 1 5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 5 6 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 5 7 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 5 8 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 5 9 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.25000000000000 0.00000000000000 26.982 > 9 11 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 9 12 Al 0.50000000000000 0.75000000000000 0.00000000000000 26.982 > 9 13 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 13 14 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 13 15 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 13 16 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 13 17 B 0.36394558443499 0.37500000000000 0.75827144548953 10.811 > 17 18 B 0.86394558443499 0.37500000000000 0.75827144548953 10.811 > 17 19 B 0.36394558443499 0.87500000000000 0.75827144548953 10.811 > 17 20 B 0.86394558443499 0.87500000000000 0.75827144548953 10.811 > 17 21 B 0.11394558443499 0.37500000000000 0.74172855451047 10.811 > 21 22 B 0.61394558443499 0.37500000000000 0.74172855451047 10.811 > 21 23 B 0.11394558443499 0.87500000000000 0.74172855451047 10.811 > 21 24 B 0.61394558443499 0.87500000000000 0.74172855451047 10.811 > 21 25 B 0.38605441556501 0.12500000000000 0.25827144548953 10.811 > 25 26 B 0.88605441556501 0.12500000000000 0.25827144548953 10.811 > 25 27 B 0.38605441556501 0.62500000000000 0.25827144548953 10.811 > 25 28 B 0.88605441556501 0.62500000000000 0.25827144548953 10.811 > 25 29 B 0.13605441556501 0.12500000000000 0.24172855451047 10.811 > 29 30 B 0.63605441556501 0.12500000000000 0.24172855451047 10.811 > 29 31 B 0.13605441556501 0.62500000000000 0.24172855451047 10.811 > 29 32 B 0.63605441556501 0.62500000000000 0.24172855451047 10.811 > 29 33 Pb 0.03074413301776 0.12500000000000 0.63796796682176 207.200 > 33 34 Pb 0.53074413301776 0.12500000000000 0.63796796682176 207.200 > 33 35 Pb 0.03074413301776 0.62500000000000 0.63796796682176 207.200 > 33 36 Pb 0.53074413301776 0.62500000000000 0.63796796682176 207.200 > 33 37 Pb 0.28074413301776 0.12500000000000 0.86203203317824 207.200 > 37 38 Pb 0.78074413301776 0.12500000000000 0.86203203317824 207.200 > 37 39 Pb 0.28074413301776 0.62500000000000 0.86203203317824 207.200 > 37 40 Pb 0.78074413301776 0.62500000000000 0.86203203317824 207.200 > 37 41 Pb 0.46925586698224 0.37500000000000 0.36203203317824 207.200 > 41 42 Pb 0.96925586698224 0.37500000000000 0.36203203317824 207.200 > 41 43 Pb 0.46925586698224 0.87500000000000 0.36203203317824 207.200 > 41 44 Pb 0.96925586698224 0.87500000000000 0.36203203317824 207.200 > 41 45 Pb 0.21925586698224 0.37500000000000 0.13796796682176 207.200 > 45 46 Pb 0.71925586698224 0.37500000000000 0.13796796682176 207.200 > 45 47 Pb 0.21925586698224 0.87500000000000 0.13796796682176 207.200 > 45 48 Pb 0.71925586698224 0.87500000000000 0.13796796682176 207.200 > 45 49 O 0.08623062379526 0.47846512681750 0.81512987897855 15.999 > 49 50 O 0.58623062379526 0.47846512681750 0.81512987897855 15.999 > 49 51 O 0.08623062379526 0.97846512681750 0.81512987897855 15.999 > 49 52 O 0.58623062379526 0.97846512681750 0.81512987897855 15.999 > 49 53 O 0.33623062379526 0.47846512681750 0.68487012102145 15.999 > 53 54 O 0.83623062379526 0.47846512681750 0.68487012102145 15.999 > 53 55 O 0.33623062379526 0.97846512681750 0.68487012102145 15.999 > 53 56 O 0.83623062379526 0.97846512681750 0.68487012102145 15.999 > 53 57 O 0.16376937620474 0.22846512681750 0.31512987897855 15.999 > 57 58 O 0.66376937620474 0.22846512681750 0.31512987897855 15.999 > 57 59 O 0.16376937620474 0.72846512681750 0.31512987897855 15.999 > 57 60 O 0.66376937620474 0.72846512681750 0.31512987897855 15.999 > 57 61 O 0.05071996109145 0.37500000000000 0.11065552801262 15.999 > 61 62 O 0.55071996109145 0.37500000000000 0.11065552801262 15.999 > 61 63 O 0.05071996109145 0.87500000000000 0.11065552801262 15.999 > 61 64 O 0.55071996109145 0.87500000000000 0.11065552801262 15.999 > 61 65 O 0.16376937620474 0.02153487318250 0.31512987897855 15.999 > 65 66 O 0.66376937620474 0.02153487318250 0.31512987897855 15.999 > 65 67 O 0.16376937620474 0.52153487318250 0.31512987897855 15.999 > 65 68 O 0.66376937620474 0.52153487318250 0.31512987897855 15.999 > 65 69 O 0.44928003890855 0.12500000000000 0.88934447198738 15.999 > 69 70 O 0.94928003890855 0.12500000000000 0.88934447198738 15.999 > 69 71 O 0.44928003890855 0.62500000000000 0.88934447198738 15.999 > 69 72 O 0.94928003890855 0.62500000000000 0.88934447198738 15.999 > 69 73 O 0.16683271519641 0.37500000000000 0.59671950966097 15.999 > 73 74 O 0.66683271519641 0.37500000000000 0.59671950966097 15.999 > 73 75 O 0.16683271519641 0.87500000000000 0.59671950966097 15.999 > 73 76 O 0.66683271519641 0.87500000000000 0.59671950966097 15.999 > 73 77 O 0.08316728480359 0.12500000000000 0.09671950966097 15.999 > 77 78 O 0.58316728480359 0.12500000000000 0.09671950966097 15.999 > 77 79 O 0.08316728480359 0.62500000000000 0.09671950966097 15.999 > 77 80 O 0.58316728480359 0.62500000000000 0.09671950966097 15.999 > 77 81 O 0.08623062379526 0.27153487318250 0.81512987897855 15.999 > 81 82 O 0.58623062379526 0.27153487318250 0.81512987897855 15.999 > 81 83 O 0.08623062379526 0.77153487318250 0.81512987897855 15.999 > 81 84 O 0.58623062379526 0.77153487318250 0.81512987897855 15.999 > 81 85 O 0.41376937620474 0.02153487318250 0.18487012102145 15.999 > 85 86 O 0.91376937620474 0.02153487318250 0.18487012102145 15.999 > 85 87 O 0.41376937620474 0.52153487318250 0.18487012102145 15.999 > 85 88 O 0.91376937620474 0.52153487318250 0.18487012102145 15.999 > 85 89 O 0.33316728480359 0.12500000000000 0.40328049033903 15.999 > 89 90 O 0.83316728480359 0.12500000000000 0.40328049033903 15.999 > 89 91 O 0.33316728480359 0.62500000000000 0.40328049033903 15.999 > 89 92 O 0.83316728480359 0.62500000000000 0.40328049033903 15.999 > 89 93 O 0.30071996109145 0.37500000000000 0.38934447198738 15.999 > 93 94 O 0.80071996109145 0.37500000000000 0.38934447198738 15.999 > 93 95 O 0.30071996109145 0.87500000000000 0.38934447198738 15.999 > 93 96 O 0.80071996109145 0.87500000000000 0.38934447198738 15.999 > 93 97 O 0.33623062379526 0.27153487318250 0.68487012102145 15.999 > 97 98 O 0.83623062379526 0.27153487318250 0.68487012102145 15.999 > 97 99 O 0.33623062379526 0.77153487318250 0.68487012102145 15.999 > 97 100 O 0.83623062379526 0.77153487318250 0.68487012102145 15.999 > 97 101 O 0.41683271519641 0.37500000000000 0.90328049033903 15.999 > 101 102 O 0.91683271519641 0.37500000000000 0.90328049033903 15.999 > 101 103 O 0.41683271519641 0.87500000000000 0.90328049033903 15.999 > 101 104 O 0.91683271519641 0.87500000000000 0.90328049033903 15.999 > 101 105 O 0.19928003890855 0.12500000000000 0.61065552801262 15.999 > 105 106 O 0.69928003890855 0.12500000000000 0.61065552801262 15.999 > 105 107 O 0.19928003890855 0.62500000000000 0.61065552801262 15.999 > 105 108 O 0.69928003890855 0.62500000000000 0.61065552801262 15.999 > 105 109 O 0.41376937620474 0.22846512681750 0.18487012102145 15.999 > 109 110 O 0.91376937620474 0.22846512681750 0.18487012102145 15.999 > 109 111 O 0.41376937620474 0.72846512681750 0.18487012102145 15.999 > 109 112 O 0.91376937620474 0.72846512681750 0.18487012102145 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0315765 0.0000000 0.0000000 0.0000000 4.5935119 0.0000000 0.0000000 0.0000000 4.3602299 -------------------------- Born effective charges -------------------------- 1 Al 2.7951040 0.1170959 -0.1903636 0.1172764 3.0394232 0.0447468 -0.0431562 0.2037495 3.4668279 2 Al 2.7951040 0.1170959 0.1903636 0.1172764 3.0394232 -0.0447468 0.0431562 -0.2037495 3.4668279 3 Al 2.7951040 -0.1170959 0.1903636 -0.1172764 3.0394232 0.0447468 0.0431562 0.2037495 3.4668279 4 Al 2.7951040 -0.1170959 -0.1903636 -0.1172764 3.0394232 -0.0447468 -0.0431562 -0.2037495 3.4668279 5 B 1.2365444 0.0000000 1.1625259 0.0000000 3.4688145 0.0000000 0.8233030 0.0000000 1.9310228 6 B 1.2365444 0.0000000 -1.1625259 0.0000000 3.4688145 0.0000000 -0.8233030 0.0000000 1.9310228 7 B 1.2365444 0.0000000 -1.1625259 0.0000000 3.4688145 0.0000000 -0.8233030 0.0000000 1.9310228 8 B 1.2365444 0.0000000 1.1625259 0.0000000 3.4688145 0.0000000 0.8233030 0.0000000 1.9310228 9 Pb 3.6061880 0.0000000 -0.4597258 0.0000000 2.5540693 0.0000000 -0.1249212 0.0000000 2.8301946 10 Pb 3.6061880 0.0000000 0.4597258 0.0000000 2.5540693 0.0000000 0.1249212 0.0000000 2.8301946 11 Pb 3.6061880 0.0000000 -0.4597258 0.0000000 2.5540693 0.0000000 -0.1249212 0.0000000 2.8301946 12 Pb 3.6061880 0.0000000 0.4597258 0.0000000 2.5540693 0.0000000 0.1249212 0.0000000 2.8301946 13 O -1.5762827 0.4451126 0.2556829 0.6611367 -2.8351138 0.1234469 0.1074830 0.0163830 -1.9108292 14 O -1.5762827 0.4451126 -0.2556829 0.6611367 -2.8351138 -0.1234469 -0.1074830 -0.0163830 -1.9108292 15 O -1.5762827 -0.4451126 -0.2556829 -0.6611367 -2.8351138 0.1234469 -0.1074830 0.0163830 -1.9108292 16 O -2.5928136 0.0000000 0.3884613 0.0000000 -1.6977114 0.0000000 0.2203517 0.0000000 -2.3468531 17 O -1.5762827 0.4451126 -0.2556829 0.6611367 -2.8351138 -0.1234469 -0.1074830 -0.0163830 -1.9108292 18 O -2.5928136 0.0000000 0.3884613 0.0000000 -1.6977114 0.0000000 0.2203517 0.0000000 -2.3468531 19 O -1.8924574 0.0000000 0.8268160 0.0000000 -1.6943680 0.0000000 0.5796096 0.0000000 -2.0595337 20 O -1.8924574 0.0000000 -0.8268160 0.0000000 -1.6943680 0.0000000 -0.5796096 0.0000000 -2.0595337 21 O -1.5762827 -0.4451126 0.2556829 -0.6611367 -2.8351138 -0.1234469 0.1074830 -0.0163830 -1.9108292 22 O -1.5762827 0.4451126 0.2556829 0.6611367 -2.8351138 0.1234469 0.1074830 0.0163830 -1.9108292 23 O -1.8924574 0.0000000 0.8268160 0.0000000 -1.6943680 0.0000000 0.5796096 0.0000000 -2.0595337 24 O -2.5928136 0.0000000 -0.3884613 0.0000000 -1.6977114 0.0000000 -0.2203517 0.0000000 -2.3468531 25 O -1.5762827 -0.4451126 -0.2556829 -0.6611367 -2.8351138 0.1234469 -0.1074830 0.0163830 -1.9108292 26 O -1.8924574 0.0000000 -0.8268160 0.0000000 -1.6943680 0.0000000 -0.5796096 0.0000000 -2.0595337 27 O -2.5928136 0.0000000 -0.3884613 0.0000000 -1.6977114 0.0000000 -0.2203517 0.0000000 -2.3468531 28 O -1.5762827 -0.4451126 0.2556829 -0.6611367 -2.8351138 -0.1234469 0.1074830 -0.0163830 -1.9108292 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 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: 0.61, Number of G-points: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.181 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.428 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.625 ( 0.000 0.000 0.000) 0.000 10.921 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.145 ( 0.000 0.000 0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 12.031 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 0.000 0.000) 0.000 12.670 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 13.196 ( 0.000 0.000 0.000) 0.000 14.088 ( 0.000 0.000 0.000) 0.000 14.439 ( 0.000 0.000 0.000) 0.000 14.551 ( 0.000 0.000 0.000) 0.000 15.152 ( 0.000 0.000 0.000) 0.000 15.691 ( 0.000 0.000 0.000) 0.000 15.724 ( 0.000 0.000 0.000) 0.000 15.765 ( 0.000 0.000 0.000) 0.000 16.891 ( 0.000 0.000 0.000) 0.000 17.541 ( 0.000 0.000 0.000) 0.000 18.797 ( 0.000 0.000 0.000) 0.000 18.884 ( 0.000 0.000 0.000) 0.000 19.099 ( 0.000 0.000 0.000) 0.000 19.195 ( 0.000 0.000 0.000) 0.000 19.233 ( 0.000 0.000 0.000) 0.000 19.388 ( 0.000 0.000 0.000) 0.000 19.575 ( 0.000 0.000 0.000) 0.000 19.919 ( 0.000 0.000 0.000) 0.000 20.131 ( 0.000 0.000 0.000) 0.000 20.378 ( 0.000 0.000 0.000) 0.000 20.415 ( 0.000 0.000 0.000) 0.000 20.447 ( 0.000 0.000 0.000) 0.000 20.648 ( 0.000 0.000 0.000) 0.000 20.804 ( 0.000 0.000 0.000) 0.000 21.017 ( 0.000 0.000 0.000) 0.000 21.100 ( 0.000 0.000 0.000) 0.000 27.897 ( 0.000 0.000 0.000) 0.000 28.214 ( 0.000 0.000 0.000) 0.000 28.373 ( 0.000 0.000 0.000) 0.000 28.470 ( 0.000 0.000 0.000) 0.000 36.779 ( 0.000 0.000 0.000) 0.000 36.948 ( 0.000 0.000 0.000) 0.000 36.958 ( 0.000 0.000 0.000) 0.000 37.071 ( 0.000 0.000 0.000) 0.000 37.072 ( 0.000 0.000 0.000) 0.000 38.175 ( 0.000 0.000 0.000) 0.000 38.292 ( 0.000 0.000 0.000) 0.000 39.661 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 27.462 0.000 0.000) 27.462 0.672 ( 29.648 0.000 0.000) 29.648 0.697 ( 32.416 0.000 0.000) 32.416 1.786 ( 9.501 0.000 0.000) 9.501 1.806 ( -1.328 0.000 0.000) 1.328 2.255 ( -0.377 0.000 0.000) 0.377 2.277 ( -0.529 0.000 0.000) 0.529 2.648 ( -3.800 0.000 0.000) 3.800 2.657 ( -8.959 0.000 0.000) 8.959 2.962 ( -5.399 0.000 0.000) 5.399 3.180 ( 10.681 0.000 0.000) 10.681 3.216 ( 3.820 0.000 0.000) 3.820 3.564 ( 1.941 0.000 0.000) 1.941 4.859 ( 5.722 0.000 0.000) 5.722 5.111 ( 5.479 0.000 0.000) 5.479 5.240 ( 6.206 0.000 0.000) 6.206 5.302 ( -2.926 0.000 0.000) 2.926 5.862 ( -4.615 0.000 0.000) 4.615 5.890 ( -12.670 0.000 0.000) 12.670 6.074 ( -4.187 0.000 0.000) 4.187 6.300 ( 3.688 0.000 0.000) 3.688 6.626 ( 4.908 0.000 0.000) 4.908 6.712 ( 5.785 0.000 0.000) 5.785 7.470 ( 0.473 0.000 0.000) 0.473 7.970 ( -0.195 0.000 0.000) 0.195 8.434 ( -19.510 0.000 0.000) 19.510 8.791 ( 3.232 0.000 0.000) 3.232 9.028 ( -28.284 0.000 0.000) 28.284 9.121 ( -4.337 0.000 0.000) 4.337 9.243 ( -1.451 0.000 0.000) 1.451 9.370 ( 7.851 0.000 0.000) 7.851 9.383 ( 20.140 0.000 0.000) 20.140 9.857 ( 1.119 0.000 0.000) 1.119 9.935 ( 3.964 0.000 0.000) 3.964 10.356 ( 3.528 0.000 0.000) 3.528 10.639 ( 1.549 0.000 0.000) 1.549 10.928 ( -5.101 0.000 0.000) 5.101 10.986 ( 6.398 0.000 0.000) 6.398 11.324 ( -4.798 0.000 0.000) 4.798 11.628 ( 20.560 0.000 0.000) 20.560 11.849 ( -3.706 0.000 0.000) 3.706 12.065 ( 3.026 0.000 0.000) 3.026 12.531 ( 4.645 0.000 0.000) 4.645 12.645 ( -3.471 0.000 0.000) 3.471 12.702 ( -9.405 0.000 0.000) 9.405 13.301 ( 9.309 0.000 0.000) 9.309 13.624 ( -18.738 0.000 0.000) 18.738 13.960 ( -11.324 0.000 0.000) 11.324 14.447 ( -9.670 0.000 0.000) 9.670 15.023 ( -6.363 0.000 0.000) 6.363 15.811 ( 7.321 0.000 0.000) 7.321 15.851 ( 12.855 0.000 0.000) 12.855 15.853 ( 8.340 0.000 0.000) 8.340 16.380 ( -1.039 0.000 0.000) 1.039 16.878 ( -1.230 0.000 0.000) 1.230 17.440 ( -9.482 0.000 0.000) 9.482 18.810 ( 1.381 0.000 0.000) 1.381 18.929 ( 4.044 0.000 0.000) 4.044 19.089 ( -0.941 0.000 0.000) 0.941 19.237 ( 0.409 0.000 0.000) 0.409 19.351 ( -3.208 0.000 0.000) 3.208 19.491 ( 0.580 0.000 0.000) 0.580 19.652 ( 6.886 0.000 0.000) 6.886 19.967 ( 4.598 0.000 0.000) 4.598 20.150 ( 1.789 0.000 0.000) 1.789 20.353 ( -2.412 0.000 0.000) 2.412 20.449 ( 0.347 0.000 0.000) 0.347 20.494 ( -1.586 0.000 0.000) 1.586 20.620 ( -2.754 0.000 0.000) 2.754 20.780 ( -2.253 0.000 0.000) 2.253 21.119 ( 1.921 0.000 0.000) 1.921 21.884 ( -5.246 0.000 0.000) 5.246 27.911 ( 1.297 0.000 0.000) 1.297 28.191 ( -2.074 0.000 0.000) 2.074 28.384 ( 0.934 0.000 0.000) 0.934 28.468 ( -0.209 0.000 0.000) 0.209 36.786 ( 0.660 0.000 0.000) 0.660 36.947 ( -1.099 0.000 0.000) 1.099 36.955 ( 0.698 0.000 0.000) 0.698 37.067 ( -0.417 0.000 0.000) 0.417 37.146 ( 6.956 0.000 0.000) 6.956 38.242 ( -4.819 0.000 0.000) 4.819 39.012 ( 1.427 0.000 0.000) 1.427 39.608 ( -4.912 0.000 0.000) 4.912 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 20.545 0.000 0.000) 20.545 1.193 ( 21.194 0.000 0.000) 21.194 1.303 ( 25.687 0.000 0.000) 25.687 1.758 ( -3.554 0.000 0.000) 3.554 2.037 ( 13.436 0.000 0.000) 13.436 2.247 ( -0.308 0.000 0.000) 0.308 2.264 ( -0.734 0.000 0.000) 0.734 2.422 ( -12.930 0.000 0.000) 12.930 2.540 ( -6.536 0.000 0.000) 6.536 2.812 ( -8.812 0.000 0.000) 8.812 3.319 ( 5.898 0.000 0.000) 5.898 3.505 ( 20.642 0.000 0.000) 20.642 3.588 ( -0.086 0.000 0.000) 0.086 5.036 ( 10.913 0.000 0.000) 10.913 5.093 ( -19.075 0.000 0.000) 19.075 5.254 ( 7.925 0.000 0.000) 7.925 5.378 ( 5.487 0.000 0.000) 5.487 5.705 ( -2.624 0.000 0.000) 2.624 5.744 ( -6.523 0.000 0.000) 6.523 5.969 ( -5.659 0.000 0.000) 5.659 6.441 ( 11.203 0.000 0.000) 11.203 6.743 ( 5.857 0.000 0.000) 5.857 6.818 ( 4.042 0.000 0.000) 4.042 7.494 ( 2.230 0.000 0.000) 2.230 7.856 ( -15.578 0.000 0.000) 15.578 8.060 ( -16.425 0.000 0.000) 16.425 8.556 ( -11.160 0.000 0.000) 11.160 8.884 ( 5.468 0.000 0.000) 5.468 9.001 ( -7.642 0.000 0.000) 7.642 9.196 ( -3.127 0.000 0.000) 3.127 9.569 ( 11.145 0.000 0.000) 11.145 9.734 ( 12.878 0.000 0.000) 12.878 9.888 ( 1.745 0.000 0.000) 1.745 9.980 ( 1.128 0.000 0.000) 1.128 10.354 ( -3.237 0.000 0.000) 3.237 10.703 ( 5.026 0.000 0.000) 5.026 10.736 ( -13.514 0.000 0.000) 13.514 11.191 ( 13.622 0.000 0.000) 13.622 11.193 ( -7.574 0.000 0.000) 7.574 11.853 ( 6.043 0.000 0.000) 6.043 12.128 ( 1.550 0.000 0.000) 1.550 12.167 ( 29.328 0.000 0.000) 29.328 12.444 ( -13.818 0.000 0.000) 13.818 12.551 ( -5.411 0.000 0.000) 5.411 12.674 ( 8.449 0.000 0.000) 8.449 13.159 ( -23.508 0.000 0.000) 23.508 13.468 ( -0.335 0.000 0.000) 0.335 13.713 ( -8.216 0.000 0.000) 8.216 14.204 ( -10.609 0.000 0.000) 10.609 14.847 ( -10.944 0.000 0.000) 10.944 15.970 ( 7.014 0.000 0.000) 7.014 16.092 ( 7.375 0.000 0.000) 7.375 16.093 ( 14.569 0.000 0.000) 14.569 16.400 ( 5.147 0.000 0.000) 5.147 16.839 ( -2.717 0.000 0.000) 2.717 17.173 ( -15.890 0.000 0.000) 15.890 18.858 ( 3.243 0.000 0.000) 3.243 19.027 ( 4.800 0.000 0.000) 4.800 19.059 ( -2.005 0.000 0.000) 2.005 19.259 ( 2.098 0.000 0.000) 2.098 19.269 ( -4.424 0.000 0.000) 4.424 19.487 ( -1.319 0.000 0.000) 1.319 19.826 ( 9.281 0.000 0.000) 9.281 20.095 ( 7.334 0.000 0.000) 7.334 20.206 ( 3.682 0.000 0.000) 3.682 20.280 ( -4.571 0.000 0.000) 4.571 20.446 ( -3.098 0.000 0.000) 3.098 20.470 ( 1.956 0.000 0.000) 1.956 20.539 ( -5.001 0.000 0.000) 5.001 20.715 ( -3.988 0.000 0.000) 3.988 21.186 ( 4.820 0.000 0.000) 4.820 21.732 ( -9.203 0.000 0.000) 9.203 27.949 ( 2.376 0.000 0.000) 2.376 28.137 ( -3.017 0.000 0.000) 3.017 28.406 ( 1.113 0.000 0.000) 1.113 28.461 ( -0.509 0.000 0.000) 0.509 36.806 ( 1.279 0.000 0.000) 1.279 36.916 ( -1.787 0.000 0.000) 1.787 36.975 ( 1.205 0.000 0.000) 1.205 37.053 ( -0.892 0.000 0.000) 0.892 37.343 ( 11.728 0.000 0.000) 11.728 38.097 ( -9.122 0.000 0.000) 9.122 39.061 ( 3.497 0.000 0.000) 3.497 39.473 ( -7.827 0.000 0.000) 7.827 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 13.007 0.000 0.000) 13.007 1.563 ( 14.633 0.000 0.000) 14.633 1.649 ( -7.305 0.000 0.000) 7.305 1.685 ( 7.694 0.000 0.000) 7.694 2.200 ( -4.902 0.000 0.000) 4.902 2.238 ( 0.807 0.000 0.000) 0.807 2.244 ( 0.067 0.000 0.000) 0.067 2.250 ( -0.508 0.000 0.000) 0.508 2.440 ( 2.200 0.000 0.000) 2.200 2.613 ( -10.172 0.000 0.000) 10.172 3.446 ( 6.033 0.000 0.000) 6.033 3.549 ( -3.673 0.000 0.000) 3.673 4.006 ( 27.232 0.000 0.000) 27.232 4.586 ( -27.949 0.000 0.000) 27.949 5.265 ( 10.034 0.000 0.000) 10.034 5.407 ( -3.105 0.000 0.000) 3.105 5.426 ( 8.655 0.000 0.000) 8.655 5.598 ( -7.765 0.000 0.000) 7.765 5.741 ( 4.377 0.000 0.000) 4.377 5.850 ( -5.793 0.000 0.000) 5.793 6.795 ( 23.069 0.000 0.000) 23.069 6.842 ( 3.315 0.000 0.000) 3.315 6.869 ( 0.724 0.000 0.000) 0.724 7.347 ( -28.891 0.000 0.000) 28.891 7.579 ( 6.441 0.000 0.000) 6.441 7.767 ( -11.859 0.000 0.000) 11.859 8.584 ( 9.077 0.000 0.000) 9.077 8.806 ( -10.982 0.000 0.000) 10.982 9.003 ( 5.825 0.000 0.000) 5.825 9.114 ( -4.800 0.000 0.000) 4.800 9.806 ( 11.079 0.000 0.000) 11.079 9.898 ( 3.608 0.000 0.000) 3.608 9.918 ( 0.847 0.000 0.000) 0.847 9.971 ( -3.559 0.000 0.000) 3.559 10.294 ( 0.368 0.000 0.000) 0.368 10.440 ( -12.797 0.000 0.000) 12.797 10.844 ( 8.251 0.000 0.000) 8.251 11.023 ( -8.742 0.000 0.000) 8.742 11.538 ( 19.516 0.000 0.000) 19.516 11.948 ( -18.510 0.000 0.000) 18.510 12.107 ( 17.776 0.000 0.000) 17.776 12.333 ( 3.156 0.000 0.000) 3.156 12.434 ( -5.663 0.000 0.000) 5.663 12.530 ( -19.800 0.000 0.000) 19.800 12.770 ( 23.284 0.000 0.000) 23.284 13.056 ( 16.542 0.000 0.000) 16.542 13.205 ( -18.479 0.000 0.000) 18.479 13.481 ( -19.823 0.000 0.000) 19.823 14.246 ( 13.635 0.000 0.000) 13.635 14.571 ( -15.605 0.000 0.000) 15.605 16.081 ( 3.797 0.000 0.000) 3.797 16.133 ( -1.268 0.000 0.000) 1.268 16.433 ( 17.969 0.000 0.000) 17.969 16.584 ( 10.045 0.000 0.000) 10.045 16.753 ( -6.031 0.000 0.000) 6.031 16.813 ( -18.514 0.000 0.000) 18.514 18.933 ( 3.800 0.000 0.000) 3.800 19.006 ( -3.119 0.000 0.000) 3.119 19.108 ( 3.283 0.000 0.000) 3.283 19.180 ( -3.963 0.000 0.000) 3.963 19.334 ( 4.850 0.000 0.000) 4.850 19.431 ( -4.033 0.000 0.000) 4.033 20.012 ( 8.440 0.000 0.000) 8.440 20.166 ( -6.525 0.000 0.000) 6.525 20.246 ( 6.803 0.000 0.000) 6.803 20.301 ( 5.442 0.000 0.000) 5.442 20.365 ( -4.804 0.000 0.000) 4.804 20.422 ( -6.082 0.000 0.000) 6.082 20.532 ( 3.931 0.000 0.000) 3.931 20.623 ( -4.695 0.000 0.000) 4.695 21.323 ( 8.481 0.000 0.000) 8.481 21.523 ( -10.501 0.000 0.000) 10.501 28.006 ( 3.055 0.000 0.000) 3.055 28.072 ( -3.269 0.000 0.000) 3.269 28.428 ( 1.033 0.000 0.000) 1.033 28.447 ( -0.825 0.000 0.000) 0.825 36.837 ( 1.763 0.000 0.000) 1.763 36.876 ( -1.979 0.000 0.000) 1.979 37.003 ( 1.404 0.000 0.000) 1.404 37.031 ( -1.275 0.000 0.000) 1.275 37.607 ( 13.389 0.000 0.000) 13.389 37.875 ( -12.250 0.000 0.000) 12.250 39.159 ( 6.052 0.000 0.000) 6.052 39.306 ( -7.973 0.000 0.000) 7.973 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 27.597 0.000) 27.597 0.657 ( 0.000 33.135 0.000) 33.135 1.064 ( 0.000 45.690 0.000) 45.690 1.681 ( 0.000 -0.239 0.000) 0.239 1.842 ( 0.000 2.349 0.000) 2.349 2.249 ( 0.000 -0.979 0.000) 0.979 2.301 ( 0.000 1.853 0.000) 1.853 2.611 ( 0.000 3.484 0.000) 3.484 2.762 ( 0.000 0.629 0.000) 0.629 3.010 ( 0.000 -1.057 0.000) 1.057 3.158 ( 0.000 0.153 0.000) 0.153 3.465 ( 0.000 27.250 0.000) 27.250 3.484 ( 0.000 -5.091 0.000) 5.091 3.515 ( 0.000 9.407 0.000) 9.407 5.060 ( 0.000 1.390 0.000) 1.390 5.145 ( 0.000 -3.514 0.000) 3.514 5.286 ( 0.000 -3.128 0.000) 3.128 5.780 ( 0.000 -8.259 0.000) 8.259 6.247 ( 0.000 13.472 0.000) 13.472 6.393 ( 0.000 8.397 0.000) 8.397 6.460 ( 0.000 24.574 0.000) 24.574 6.527 ( 0.000 -4.400 0.000) 4.400 6.821 ( 0.000 14.836 0.000) 14.836 7.816 ( 0.000 -13.458 0.000) 13.458 8.082 ( 0.000 -7.803 0.000) 7.803 8.470 ( 0.000 -21.772 0.000) 21.772 8.746 ( 0.000 -5.091 0.000) 5.091 9.009 ( 0.000 1.168 0.000) 1.168 9.257 ( 0.000 -1.721 0.000) 1.721 9.313 ( 0.000 3.805 0.000) 3.805 9.412 ( 0.000 11.912 0.000) 11.912 9.497 ( 0.000 8.842 0.000) 8.842 9.789 ( 0.000 -3.487 0.000) 3.487 10.155 ( 0.000 6.875 0.000) 6.875 10.476 ( 0.000 14.408 0.000) 14.408 10.537 ( 0.000 -2.978 0.000) 2.978 10.878 ( 0.000 -3.887 0.000) 3.887 11.122 ( 0.000 -2.316 0.000) 2.316 11.130 ( 0.000 11.783 0.000) 11.783 11.954 ( 0.000 4.053 0.000) 4.053 12.006 ( 0.000 -2.863 0.000) 2.863 12.135 ( 0.000 -11.944 0.000) 11.944 12.613 ( 0.000 -5.903 0.000) 5.903 12.673 ( 0.000 12.596 0.000) 12.596 12.718 ( 0.000 3.690 0.000) 3.690 13.130 ( 0.000 -6.844 0.000) 6.844 13.302 ( 0.000 -2.139 0.000) 2.139 14.139 ( 0.000 5.036 0.000) 5.036 14.365 ( 0.000 -7.792 0.000) 7.792 14.395 ( 0.000 -13.974 0.000) 13.974 14.782 ( 0.000 -33.225 0.000) 33.225 15.536 ( 0.000 -11.119 0.000) 11.119 15.744 ( 0.000 5.618 0.000) 5.618 16.085 ( 0.000 22.723 0.000) 22.723 16.917 ( 0.000 2.739 0.000) 2.739 17.768 ( 0.000 17.724 0.000) 17.724 18.761 ( 0.000 -1.777 0.000) 1.777 18.892 ( 0.000 0.866 0.000) 0.866 19.119 ( 0.000 -1.462 0.000) 1.462 19.226 ( 0.000 2.320 0.000) 2.320 19.304 ( 0.000 10.293 0.000) 10.293 19.367 ( 0.000 -1.838 0.000) 1.838 19.611 ( 0.000 -23.733 0.000) 23.733 19.699 ( 0.000 2.623 0.000) 2.623 20.423 ( 0.000 0.729 0.000) 0.729 20.448 ( 0.000 0.132 0.000) 0.132 20.577 ( 0.000 -7.241 0.000) 7.241 20.588 ( 0.000 13.853 0.000) 13.853 20.804 ( 0.000 0.068 0.000) 0.068 20.960 ( 0.000 -5.164 0.000) 5.164 21.075 ( 0.000 -2.461 0.000) 2.461 21.160 ( 0.000 -1.111 0.000) 1.111 27.912 ( 0.000 1.466 0.000) 1.466 28.212 ( 0.000 -0.164 0.000) 0.164 28.363 ( 0.000 -0.952 0.000) 0.952 28.450 ( 0.000 -2.053 0.000) 2.053 36.797 ( 0.000 1.792 0.000) 1.792 36.964 ( 0.000 1.555 0.000) 1.555 37.000 ( 0.000 3.753 0.000) 3.753 37.066 ( 0.000 -0.582 0.000) 0.582 38.236 ( 0.000 6.559 0.000) 6.559 38.329 ( 0.000 3.820 0.000) 3.820 39.608 ( 0.000 -5.311 0.000) 5.311 40.186 ( 0.000 -4.886 0.000) 4.886 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 14.153 18.646 0.000) 23.409 0.934 ( 21.832 20.834 0.000) 30.178 1.235 ( 13.003 33.401 0.000) 35.843 1.774 ( 9.732 -0.692 0.000) 9.757 1.828 ( -1.398 2.285 0.000) 2.679 2.248 ( -0.820 -1.133 0.000) 1.399 2.299 ( -0.094 2.291 0.000) 2.293 2.634 ( -1.234 0.612 0.000) 1.377 2.667 ( -8.639 0.907 0.000) 8.686 2.950 ( -5.607 -1.264 0.000) 5.748 3.198 ( 3.681 -0.027 0.000) 3.681 3.424 ( 8.764 21.264 0.000) 22.999 3.511 ( 2.017 -4.969 0.000) 5.362 4.305 ( 37.362 -16.497 0.000) 40.842 5.109 ( 4.629 0.728 0.000) 4.686 5.171 ( 1.063 -6.682 0.000) 6.766 5.279 ( -0.365 -2.347 0.000) 2.375 5.792 ( 1.356 -3.588 0.000) 3.835 6.123 ( -10.779 18.353 0.000) 21.285 6.289 ( -7.016 13.037 0.000) 14.805 6.455 ( 0.734 19.316 0.000) 19.330 6.578 ( 4.104 -5.030 0.000) 6.491 6.869 ( 3.481 12.910 0.000) 13.371 7.750 ( -11.981 -2.754 0.000) 12.294 7.890 ( -1.882 1.736 0.000) 2.560 8.281 ( -14.995 -14.727 0.000) 21.017 8.702 ( 1.783 -6.003 0.000) 6.262 9.096 ( -27.313 8.731 0.000) 28.675 9.160 ( -6.413 -1.036 0.000) 6.496 9.309 ( 16.135 -6.485 0.000) 17.389 9.360 ( -6.134 8.803 0.000) 10.730 9.409 ( 9.485 3.950 0.000) 10.274 9.753 ( 2.322 1.254 0.000) 2.639 10.215 ( -0.027 11.989 0.000) 11.989 10.428 ( -0.010 9.800 0.000) 9.800 10.613 ( 7.149 0.644 0.000) 7.178 10.866 ( -1.815 -3.329 0.000) 3.791 11.152 ( 2.549 11.393 0.000) 11.675 11.357 ( 4.623 1.196 0.000) 4.775 11.652 ( 2.378 -0.395 0.000) 2.411 11.873 ( -6.318 1.999 0.000) 6.627 12.086 ( 3.052 1.007 0.000) 3.214 12.565 ( -0.235 3.101 0.000) 3.110 12.680 ( -3.618 3.630 0.000) 5.125 12.784 ( -3.342 7.490 0.000) 8.202 13.231 ( 9.103 -7.232 0.000) 11.627 13.406 ( -11.628 -19.770 0.000) 22.936 14.005 ( -11.628 4.228 0.000) 12.373 14.320 ( -7.531 -11.315 0.000) 13.592 14.712 ( -3.452 -28.023 0.000) 28.235 15.280 ( 45.234 -59.119 0.000) 74.439 15.613 ( 6.625 -12.113 0.000) 13.806 15.876 ( 11.422 3.625 0.000) 11.983 16.149 ( 6.045 20.775 0.000) 21.636 16.907 ( -1.019 3.080 0.000) 3.244 17.667 ( -9.889 17.515 0.000) 20.114 18.864 ( 7.088 -0.438 0.000) 7.101 18.933 ( 3.717 0.589 0.000) 3.763 19.121 ( 0.138 -0.797 0.000) 0.809 19.250 ( 2.404 -3.775 0.000) 4.476 19.299 ( -0.322 9.623 0.000) 9.628 19.362 ( -0.531 -0.505 0.000) 0.733 19.656 ( 4.183 -23.197 0.000) 23.571 19.728 ( 2.726 1.669 0.000) 3.197 20.390 ( -3.000 5.914 0.000) 6.631 20.450 ( 0.131 0.246 0.000) 0.278 20.532 ( -3.281 -0.611 0.000) 3.337 20.588 ( -1.014 7.340 0.000) 7.410 20.602 ( -12.084 10.278 0.000) 15.864 20.781 ( -2.182 0.110 0.000) 2.184 21.092 ( 1.731 -2.540 0.000) 3.074 21.485 ( 9.146 -22.081 0.000) 23.900 27.925 ( 1.242 1.409 0.000) 1.878 28.189 ( -1.979 -0.090 0.000) 1.981 28.371 ( 0.759 -1.111 0.000) 1.346 28.448 ( -0.193 -2.035 0.000) 2.044 36.806 ( 0.924 2.062 0.000) 2.260 36.978 ( 1.334 2.145 0.000) 2.526 36.986 ( -0.874 3.397 0.000) 3.508 37.129 ( 5.247 0.624 0.000) 5.284 37.956 ( -22.667 34.958 0.000) 41.664 38.278 ( -4.856 3.780 0.000) 6.154 39.368 ( -31.929 25.656 0.000) 40.960 39.556 ( -4.925 -5.323 0.000) 7.252 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 17.712 5.701 0.000) 18.607 1.395 ( 20.574 8.907 0.000) 22.419 1.503 ( 12.415 19.225 0.000) 22.885 1.781 ( -3.131 2.479 0.000) 3.993 2.029 ( 13.143 -0.612 0.000) 13.157 2.221 ( -1.486 -2.582 0.000) 2.979 2.297 ( -0.337 3.324 0.000) 3.341 2.444 ( -11.770 2.225 0.000) 11.979 2.569 ( -4.509 3.306 0.000) 5.591 2.794 ( -9.110 -1.772 0.000) 9.280 3.294 ( 5.412 -1.625 0.000) 5.650 3.537 ( 0.043 -4.736 0.000) 4.736 3.722 ( 19.259 19.061 0.000) 27.097 4.868 ( 20.045 -8.134 0.000) 21.633 5.067 ( -12.332 -4.300 0.000) 13.060 5.235 ( 7.036 -0.893 0.000) 7.093 5.308 ( 2.255 -4.257 0.000) 4.817 5.757 ( -8.854 4.978 0.000) 10.158 5.973 ( 1.633 20.199 0.000) 20.265 6.168 ( -4.549 17.285 0.000) 17.874 6.526 ( 7.220 11.294 0.000) 13.405 6.688 ( 6.443 -6.449 0.000) 9.116 6.927 ( 1.655 8.825 0.000) 8.979 7.512 ( -10.706 -1.307 0.000) 10.786 7.907 ( -0.876 2.960 0.000) 3.087 7.985 ( -12.576 -6.602 0.000) 14.204 8.567 ( -19.396 4.960 0.000) 20.020 8.782 ( 4.230 -7.541 0.000) 8.646 8.973 ( -9.881 -6.786 0.000) 11.987 9.228 ( -6.434 1.133 0.000) 6.533 9.553 ( 10.847 -2.816 0.000) 11.207 9.720 ( 15.509 2.435 0.000) 15.699 9.874 ( 7.756 5.447 0.000) 9.478 10.144 ( -5.481 9.835 0.000) 11.259 10.411 ( -2.675 6.134 0.000) 6.692 10.736 ( -5.598 2.927 0.000) 6.317 10.823 ( 5.642 6.949 0.000) 8.951 11.225 ( -8.097 2.188 0.000) 8.388 11.256 ( 8.574 6.606 0.000) 10.824 11.807 ( 2.791 -4.462 0.000) 5.263 12.026 ( 13.500 -6.024 0.000) 14.783 12.235 ( 16.154 2.085 0.000) 16.288 12.436 ( -10.270 1.574 0.000) 10.390 12.578 ( -6.001 3.014 0.000) 6.715 12.773 ( -1.684 4.141 0.000) 4.471 13.057 ( -13.746 -6.666 0.000) 15.278 13.425 ( 4.814 -5.567 0.000) 7.359 13.737 ( -11.269 2.765 0.000) 11.604 14.103 ( -11.508 -8.989 0.000) 14.603 14.583 ( -8.829 -25.164 0.000) 26.668 15.765 ( 7.225 -14.874 0.000) 16.536 15.811 ( 11.300 -38.735 0.000) 40.349 16.163 ( 15.456 -1.336 0.000) 15.514 16.322 ( 10.320 16.622 0.000) 19.565 16.873 ( -2.336 3.872 0.000) 4.522 17.388 ( -16.160 16.775 0.000) 23.292 18.984 ( 4.625 8.441 0.000) 9.625 19.025 ( 4.753 0.346 0.000) 4.765 19.122 ( -0.128 1.811 0.000) 1.815 19.262 ( -2.351 -1.998 0.000) 3.085 19.299 ( 0.665 7.371 0.000) 7.401 19.376 ( 1.857 -6.054 0.000) 6.332 19.766 ( 5.896 -22.067 0.000) 22.841 19.803 ( 4.254 -2.813 0.000) 5.100 20.327 ( -2.010 9.133 0.000) 9.352 20.454 ( -4.087 -1.115 0.000) 4.236 20.466 ( 1.279 -0.131 0.000) 1.286 20.479 ( -1.922 3.362 0.000) 3.873 20.546 ( -2.879 8.414 0.000) 8.893 20.717 ( -3.932 0.194 0.000) 3.937 21.150 ( 3.984 -3.316 0.000) 5.183 21.521 ( -3.441 -17.051 0.000) 17.394 27.961 ( 2.263 1.233 0.000) 2.577 28.138 ( -2.835 0.172 0.000) 2.840 28.391 ( 1.015 -1.436 0.000) 1.758 28.442 ( -0.469 -1.970 0.000) 2.025 36.834 ( 1.772 2.843 0.000) 3.350 36.963 ( -1.451 4.458 0.000) 4.688 37.020 ( 2.720 4.113 0.000) 4.931 37.238 ( 2.994 4.533 0.000) 5.433 37.611 ( -6.923 31.198 0.000) 31.957 38.134 ( -9.022 3.854 0.000) 9.811 39.090 ( -2.627 2.884 0.000) 3.901 39.420 ( -7.815 -5.333 0.000) 9.462 ======================= Grid point 10 (8/80) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 13.780 0.882 0.000) 13.808 1.610 ( -4.649 0.102 0.000) 4.650 1.735 ( 9.419 11.666 0.000) 14.994 1.786 ( 5.810 6.194 0.000) 8.493 2.149 ( -2.033 -4.252 0.000) 4.713 2.183 ( -8.055 0.215 0.000) 8.057 2.303 ( 8.788 0.917 0.000) 8.835 2.341 ( 1.232 7.126 0.000) 7.232 2.478 ( -2.498 4.453 0.000) 5.106 2.592 ( -10.031 -2.044 0.000) 10.238 3.409 ( 5.465 -3.093 0.000) 6.280 3.503 ( -3.327 -4.190 0.000) 5.351 4.182 ( 24.558 14.754 0.000) 28.649 4.687 ( -23.156 7.121 0.000) 24.227 5.185 ( 10.855 -4.467 0.000) 11.738 5.316 ( -2.311 -6.090 0.000) 6.514 5.385 ( 7.608 -1.098 0.000) 7.686 5.554 ( -9.009 2.354 0.000) 9.311 6.049 ( 3.044 23.406 0.000) 23.603 6.098 ( -2.426 21.670 0.000) 21.805 6.795 ( 18.447 0.899 0.000) 18.469 6.825 ( 6.241 -4.437 0.000) 7.658 6.924 ( -1.956 3.862 0.000) 4.330 7.222 ( -18.993 -4.933 0.000) 19.623 7.794 ( -5.351 3.605 0.000) 6.451 7.794 ( -5.693 14.962 0.000) 16.009 8.460 ( 6.688 -9.908 0.000) 11.954 8.677 ( -11.971 -12.192 0.000) 17.087 8.957 ( 6.186 -4.230 0.000) 7.494 9.094 ( -6.711 -2.303 0.000) 7.095 9.784 ( 11.103 -1.780 0.000) 11.245 9.971 ( 8.652 7.096 0.000) 11.190 9.974 ( -4.827 0.661 0.000) 4.872 10.047 ( 0.365 11.971 0.000) 11.976 10.357 ( 0.234 5.807 0.000) 5.812 10.507 ( -12.269 6.033 0.000) 13.672 10.956 ( 5.610 9.936 0.000) 11.410 11.077 ( -6.419 4.459 0.000) 7.816 11.545 ( 18.699 1.006 0.000) 18.726 11.943 ( -17.332 -0.021 0.000) 17.332 12.015 ( 16.305 -9.211 0.000) 18.727 12.316 ( 3.919 -1.145 0.000) 4.083 12.428 ( -21.741 -11.015 0.000) 24.372 12.444 ( -6.770 1.335 0.000) 6.900 12.773 ( 25.096 0.443 0.000) 25.099 13.157 ( 15.324 9.819 0.000) 18.200 13.228 ( -18.582 1.253 0.000) 18.624 13.520 ( -16.666 4.618 0.000) 17.294 14.079 ( 10.832 -16.336 0.000) 19.601 14.353 ( -13.210 -21.132 0.000) 24.921 15.882 ( 3.826 -18.142 0.000) 18.541 15.915 ( 0.879 -23.574 0.000) 23.591 16.450 ( 11.032 -3.181 0.000) 11.481 16.526 ( 6.149 6.856 0.000) 9.209 16.838 ( 1.709 9.575 0.000) 9.727 17.047 ( -15.765 16.459 0.000) 22.791 19.064 ( 3.127 10.759 0.000) 11.204 19.109 ( -0.491 4.966 0.000) 4.991 19.113 ( 2.968 3.311 0.000) 4.446 19.191 ( -3.906 0.971 0.000) 4.024 19.335 ( 2.655 1.371 0.000) 2.988 19.384 ( -1.411 -4.574 0.000) 4.787 19.867 ( 3.194 -18.956 0.000) 19.223 19.878 ( 2.145 -11.478 0.000) 11.677 20.321 ( 1.353 2.783 0.000) 3.094 20.374 ( -3.473 -0.864 0.000) 3.579 20.452 ( 0.117 6.331 0.000) 6.332 20.483 ( -2.716 9.147 0.000) 9.542 20.532 ( 4.092 0.067 0.000) 4.093 20.626 ( -4.749 0.215 0.000) 4.753 21.258 ( 6.428 -5.911 0.000) 8.733 21.403 ( -7.124 -10.693 0.000) 12.849 28.015 ( 2.888 0.940 0.000) 3.037 28.077 ( -3.070 0.560 0.000) 3.121 28.411 ( 0.954 -1.668 0.000) 1.922 28.429 ( -0.760 -1.846 0.000) 1.996 36.877 ( 2.314 3.927 0.000) 4.558 36.925 ( -2.216 4.724 0.000) 5.218 37.091 ( 4.234 7.875 0.000) 8.941 37.191 ( -5.174 12.227 0.000) 13.277 37.684 ( 10.148 9.416 0.000) 13.843 37.918 ( -11.560 4.763 0.000) 12.503 39.123 ( 4.651 -3.595 0.000) 5.878 39.255 ( -7.703 -5.099 0.000) 9.238 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.000 20.555 0.000) 20.555 1.257 ( 0.000 28.359 0.000) 28.359 1.652 ( 0.000 6.260 0.000) 6.260 1.717 ( 0.000 14.462 0.000) 14.462 1.902 ( 0.000 3.607 0.000) 3.607 2.226 ( 0.000 -1.221 0.000) 1.221 2.357 ( 0.000 4.165 0.000) 4.165 2.698 ( 0.000 5.221 0.000) 5.221 2.778 ( 0.000 1.020 0.000) 1.020 2.976 ( 0.000 -2.563 0.000) 2.563 3.150 ( 0.000 -1.420 0.000) 1.420 3.360 ( 0.000 -7.488 0.000) 7.488 3.792 ( 0.000 19.315 0.000) 19.315 4.204 ( 0.000 45.258 0.000) 45.258 5.020 ( 0.000 -8.116 0.000) 8.116 5.122 ( 0.000 5.353 0.000) 5.353 5.214 ( 0.000 -4.160 0.000) 4.160 5.743 ( 0.000 5.077 0.000) 5.077 6.399 ( 0.000 -8.781 0.000) 8.781 6.482 ( 0.000 11.566 0.000) 11.566 6.566 ( 0.000 6.829 0.000) 6.829 7.083 ( 0.000 10.905 0.000) 10.905 7.163 ( 0.000 42.719 0.000) 42.719 7.510 ( 0.000 -17.155 0.000) 17.155 7.964 ( 0.000 -0.408 0.000) 0.408 8.019 ( 0.000 -22.539 0.000) 22.539 8.632 ( 0.000 -6.063 0.000) 6.063 8.979 ( 0.000 -8.393 0.000) 8.393 9.194 ( 0.000 -4.776 0.000) 4.776 9.314 ( 0.000 2.231 0.000) 2.231 9.576 ( 0.000 7.242 0.000) 7.242 9.740 ( 0.000 -0.707 0.000) 0.707 9.803 ( 0.000 17.970 0.000) 17.970 10.380 ( 0.000 14.794 0.000) 14.794 10.605 ( 0.000 8.560 0.000) 8.560 10.761 ( 0.000 14.288 0.000) 14.288 10.794 ( 0.000 -4.548 0.000) 4.548 11.060 ( 0.000 -3.946 0.000) 3.946 11.380 ( 0.000 14.515 0.000) 14.515 11.895 ( 0.000 -9.705 0.000) 9.705 11.917 ( 0.000 -10.218 0.000) 10.218 11.996 ( 0.000 -1.586 0.000) 1.586 12.447 ( 0.000 -10.905 0.000) 10.905 12.823 ( 0.000 7.119 0.000) 7.119 12.911 ( 0.000 11.644 0.000) 11.644 12.937 ( 0.000 -12.825 0.000) 12.825 13.246 ( 0.000 -3.365 0.000) 3.365 13.992 ( 0.000 -35.726 0.000) 35.726 14.088 ( 0.000 -16.718 0.000) 16.718 14.224 ( 0.000 -15.306 0.000) 15.306 14.269 ( 0.000 8.125 0.000) 8.125 15.290 ( 0.000 -13.980 0.000) 13.980 15.915 ( 0.000 12.307 0.000) 12.307 16.576 ( 0.000 26.645 0.000) 26.645 16.995 ( 0.000 5.283 0.000) 5.283 17.953 ( 0.000 -3.299 0.000) 3.299 18.857 ( 0.000 13.754 0.000) 13.754 18.922 ( 0.000 2.014 0.000) 2.014 19.031 ( 0.000 -6.696 0.000) 6.696 19.140 ( 0.000 -23.025 0.000) 23.025 19.255 ( 0.000 0.538 0.000) 0.538 19.327 ( 0.000 -2.145 0.000) 2.145 19.600 ( 0.000 17.765 0.000) 17.765 19.751 ( 0.000 2.333 0.000) 2.333 20.385 ( 0.000 -11.737 0.000) 11.737 20.438 ( 0.000 0.624 0.000) 0.624 20.451 ( 0.000 0.196 0.000) 0.196 20.781 ( 0.000 3.386 0.000) 3.386 20.827 ( 0.000 4.364 0.000) 4.364 20.863 ( 0.000 -3.638 0.000) 3.638 21.012 ( 0.000 -3.860 0.000) 3.860 21.127 ( 0.000 -2.355 0.000) 2.355 27.954 ( 0.000 2.896 0.000) 2.896 28.210 ( 0.000 0.000 0.000) 0.000 28.337 ( 0.000 -1.680 0.000) 1.680 28.394 ( 0.000 -3.741 0.000) 3.741 36.844 ( 0.000 2.988 0.000) 2.988 36.997 ( 0.000 1.578 0.000) 1.578 37.053 ( 0.000 -0.632 0.000) 0.632 37.070 ( 0.000 2.752 0.000) 2.752 38.436 ( 0.000 14.166 0.000) 14.166 38.437 ( 0.000 7.331 0.000) 7.331 39.465 ( 0.000 -9.256 0.000) 9.256 40.046 ( 0.000 -9.591 0.000) 9.591 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 6.160 18.840 0.000) 19.822 1.376 ( 10.345 22.876 0.000) 25.107 1.681 ( 3.540 8.402 0.000) 9.117 1.812 ( 8.655 8.701 0.000) 12.272 1.888 ( -1.319 3.732 0.000) 3.959 2.217 ( -1.415 -1.615 0.000) 2.148 2.367 ( 0.864 4.710 0.000) 4.789 2.690 ( -7.790 1.513 0.000) 7.935 2.694 ( -0.726 4.855 0.000) 4.909 2.912 ( -6.001 -2.756 0.000) 6.604 3.176 ( 2.519 -2.316 0.000) 3.422 3.390 ( 2.269 -7.284 0.000) 7.629 3.861 ( 7.355 20.826 0.000) 22.086 4.499 ( 23.115 30.703 0.000) 38.431 5.010 ( -1.319 -8.496 0.000) 8.597 5.159 ( 3.530 4.875 0.000) 6.019 5.224 ( 0.927 -3.310 0.000) 3.437 5.806 ( 5.537 5.490 0.000) 7.797 6.413 ( 1.507 -10.311 0.000) 10.421 6.426 ( -5.307 13.151 0.000) 14.181 6.554 ( -0.652 11.014 0.000) 11.033 7.015 ( -5.072 21.831 0.000) 22.412 7.161 ( -1.186 26.793 0.000) 26.819 7.500 ( -1.336 -15.361 0.000) 15.419 7.934 ( -2.018 3.550 0.000) 4.083 7.966 ( -4.326 -14.303 0.000) 14.943 8.580 ( -0.707 -6.956 0.000) 6.992 8.956 ( -9.023 -16.948 0.000) 19.201 9.249 ( 10.803 -1.183 0.000) 10.868 9.318 ( -23.169 12.053 0.000) 26.117 9.470 ( -13.840 3.344 0.000) 14.239 9.500 ( 14.335 5.790 0.000) 15.460 9.955 ( 7.325 17.269 0.000) 18.758 10.356 ( -1.443 5.016 0.000) 5.219 10.691 ( -5.442 14.269 0.000) 15.271 10.700 ( 8.957 6.567 0.000) 11.106 10.806 ( 0.654 -2.538 0.000) 2.621 11.357 ( 13.499 -0.836 0.000) 13.525 11.385 ( 0.964 13.381 0.000) 13.416 11.577 ( -5.049 -6.551 0.000) 8.271 11.886 ( -9.698 -2.236 0.000) 9.952 12.062 ( 5.336 -4.246 0.000) 6.819 12.514 ( 0.723 -12.177 0.000) 12.199 12.786 ( -3.620 7.297 0.000) 8.145 12.958 ( -1.698 7.776 0.000) 7.959 13.024 ( 7.965 -13.917 0.000) 16.035 13.077 ( -9.159 -7.023 0.000) 11.542 13.988 ( -9.498 -11.889 0.000) 15.217 14.072 ( -0.863 -36.016 0.000) 36.026 14.196 ( -6.670 5.038 0.000) 8.359 14.518 ( 28.177 -25.485 0.000) 37.992 15.343 ( 4.350 -15.433 0.000) 16.035 16.013 ( 8.942 10.812 0.000) 14.030 16.597 ( 2.118 23.944 0.000) 24.038 17.001 ( 0.390 6.852 0.000) 6.863 17.894 ( -6.727 1.181 0.000) 6.830 18.878 ( 3.517 5.666 0.000) 6.669 18.959 ( 3.414 2.044 0.000) 3.979 19.039 ( 0.788 -6.588 0.000) 6.635 19.181 ( 3.938 -22.679 0.000) 23.018 19.248 ( -0.546 0.855 0.000) 1.014 19.358 ( 1.802 0.178 0.000) 1.811 19.598 ( -0.194 16.867 0.000) 16.868 19.750 ( -0.222 0.697 0.000) 0.732 20.369 ( -1.342 -10.438 0.000) 10.524 20.434 ( 0.205 0.702 0.000) 0.731 20.460 ( 0.308 0.522 0.000) 0.606 20.743 ( -8.382 4.590 0.000) 9.556 20.759 ( -2.045 3.623 0.000) 4.160 20.798 ( -2.641 3.031 0.000) 4.021 21.033 ( 1.852 -3.211 0.000) 3.707 21.191 ( 3.433 -9.679 0.000) 10.270 27.965 ( 1.086 2.789 0.000) 2.993 28.190 ( -1.715 0.218 0.000) 1.729 28.343 ( 0.464 -1.825 0.000) 1.883 28.392 ( -0.122 -3.682 0.000) 3.684 36.861 ( 1.593 3.412 0.000) 3.766 37.024 ( 2.580 2.193 0.000) 3.386 37.043 ( 0.688 2.006 0.000) 2.120 37.150 ( 5.538 1.396 0.000) 5.711 38.374 ( -6.332 16.422 0.000) 17.600 38.387 ( -4.845 7.344 0.000) 8.798 39.412 ( -4.939 -9.258 0.000) 10.493 39.648 ( -30.065 3.663 0.000) 30.287 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 10.193 13.622 0.000) 17.014 1.610 ( 10.320 12.327 0.000) 16.076 1.794 ( 6.866 9.690 0.000) 11.876 1.852 ( -1.676 4.689 0.000) 4.980 2.030 ( 11.151 1.317 0.000) 11.229 2.168 ( -2.631 -2.162 0.000) 3.405 2.376 ( -2.041 4.128 0.000) 4.605 2.511 ( -6.772 5.129 0.000) 8.495 2.663 ( -2.299 5.935 0.000) 6.365 2.746 ( -9.648 -3.217 0.000) 10.170 3.246 ( 4.030 -3.728 0.000) 5.489 3.423 ( 0.458 -6.940 0.000) 6.955 4.092 ( 14.671 17.056 0.000) 22.498 4.946 ( -5.465 -6.258 0.000) 8.308 4.948 ( 17.288 14.703 0.000) 22.695 5.244 ( 0.674 -2.780 0.000) 2.860 5.271 ( 7.732 6.321 0.000) 9.987 5.889 ( -1.609 8.143 0.000) 8.300 6.332 ( 0.476 14.224 0.000) 14.232 6.477 ( 5.138 -13.183 0.000) 14.149 6.557 ( 0.939 19.033 0.000) 19.056 6.916 ( -4.412 19.088 0.000) 19.591 7.111 ( -3.049 16.426 0.000) 16.707 7.430 ( -6.060 -6.219 0.000) 8.684 7.899 ( -1.083 1.265 0.000) 1.666 7.931 ( 2.547 3.320 0.000) 4.185 8.594 ( -3.261 -13.154 0.000) 13.552 8.766 ( -3.411 -11.256 0.000) 11.762 8.783 ( -25.745 14.552 0.000) 29.573 9.231 ( -10.014 0.355 0.000) 10.021 9.493 ( 12.306 -2.671 0.000) 12.593 9.834 ( 16.330 7.669 0.000) 18.041 10.085 ( 3.274 13.349 0.000) 13.744 10.303 ( -2.067 7.377 0.000) 7.661 10.573 ( -6.015 9.359 0.000) 11.125 10.774 ( -3.607 0.492 0.000) 3.640 10.965 ( 14.615 6.977 0.000) 16.195 11.234 ( -7.940 -1.871 0.000) 8.157 11.422 ( 1.683 10.073 0.000) 10.213 11.697 ( -4.419 -6.746 0.000) 8.064 11.920 ( 15.758 -5.039 0.000) 16.544 12.232 ( 10.892 -3.802 0.000) 11.537 12.451 ( -2.632 -7.084 0.000) 7.557 12.613 ( -21.973 -7.617 0.000) 23.256 12.675 ( -7.101 7.118 0.000) 10.054 13.158 ( 9.354 12.540 0.000) 15.644 13.225 ( 9.848 -15.266 0.000) 18.166 13.730 ( -13.962 -7.614 0.000) 15.904 13.993 ( -6.025 -32.990 0.000) 33.536 14.004 ( -11.935 3.600 0.000) 12.466 15.057 ( 20.808 -34.805 0.000) 40.551 15.429 ( 3.269 -19.304 0.000) 19.579 16.244 ( 12.572 8.390 0.000) 15.114 16.660 ( 3.338 16.795 0.000) 17.123 17.011 ( 1.072 10.977 0.000) 11.029 17.667 ( -14.312 9.047 0.000) 16.932 19.018 ( 9.141 -4.610 0.000) 10.238 19.046 ( 4.139 1.671 0.000) 4.463 19.072 ( 3.213 -5.110 0.000) 6.036 19.229 ( -1.515 0.691 0.000) 1.665 19.283 ( 4.982 -20.830 0.000) 21.417 19.364 ( -1.586 2.702 0.000) 3.133 19.590 ( -0.413 12.684 0.000) 12.691 19.735 ( -1.458 -3.335 0.000) 3.640 20.342 ( -0.887 -6.301 0.000) 6.363 20.452 ( -1.012 3.150 0.000) 3.309 20.461 ( 2.068 -0.132 0.000) 2.072 20.597 ( -4.702 8.190 0.000) 9.444 20.702 ( -3.411 4.098 0.000) 5.332 20.726 ( -4.219 1.365 0.000) 4.434 21.080 ( 2.586 -3.453 0.000) 4.314 21.223 ( -0.239 -12.275 0.000) 12.277 27.997 ( 1.951 2.471 0.000) 3.148 28.147 ( -2.395 0.717 0.000) 2.500 28.354 ( 0.629 -2.249 0.000) 2.336 28.388 ( -0.311 -3.497 0.000) 3.511 36.908 ( 2.988 4.616 0.000) 5.498 37.062 ( 0.370 5.025 0.000) 5.039 37.105 ( 5.338 3.995 0.000) 6.667 37.277 ( 6.151 1.103 0.000) 6.249 38.170 ( -12.419 23.087 0.000) 26.215 38.247 ( -8.380 7.795 0.000) 11.444 39.150 ( -14.599 2.299 0.000) 14.779 39.277 ( -7.729 -9.200 0.000) 12.016 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 10.472 8.619 0.000) 13.563 1.671 ( -4.893 5.948 0.000) 7.702 1.898 ( 5.779 5.459 0.000) 7.950 1.935 ( 5.075 8.482 0.000) 9.884 2.090 ( -0.918 -1.750 0.000) 1.976 2.211 ( -10.125 2.187 0.000) 10.359 2.287 ( 11.309 -1.902 0.000) 11.468 2.490 ( -2.818 5.991 0.000) 6.620 2.550 ( -4.727 -0.070 0.000) 4.727 2.601 ( -3.634 7.583 0.000) 8.408 3.332 ( 4.087 -5.098 0.000) 6.534 3.402 ( -2.414 -6.261 0.000) 6.710 4.434 ( 17.492 10.188 0.000) 20.243 4.760 ( -12.979 1.141 0.000) 13.029 5.168 ( 5.649 1.441 0.000) 5.830 5.237 ( -1.569 -2.382 0.000) 2.852 5.479 ( 11.338 11.644 0.000) 16.252 5.715 ( -11.612 12.422 0.000) 17.004 6.473 ( 8.588 12.295 0.000) 14.997 6.567 ( -0.660 14.887 0.000) 14.901 6.628 ( 8.703 -5.211 0.000) 10.144 6.804 ( -7.294 2.039 0.000) 7.573 7.094 ( 3.298 17.842 0.000) 18.144 7.253 ( -10.156 7.048 0.000) 12.362 7.939 ( 4.831 12.035 0.000) 12.969 8.009 ( 2.051 5.444 0.000) 5.818 8.368 ( -10.852 4.832 0.000) 11.879 8.406 ( -9.676 -13.599 0.000) 16.690 8.863 ( 8.073 -5.344 0.000) 9.682 9.039 ( -8.896 -2.826 0.000) 9.334 9.752 ( 12.606 -1.518 0.000) 12.697 9.992 ( -9.992 1.073 0.000) 10.049 10.133 ( 12.525 8.452 0.000) 15.110 10.325 ( -3.065 15.001 0.000) 15.311 10.482 ( 2.380 6.778 0.000) 7.184 10.641 ( -8.744 7.353 0.000) 11.425 11.140 ( -1.495 0.780 0.000) 1.687 11.144 ( 0.289 7.392 0.000) 7.398 11.576 ( 18.021 -0.050 0.000) 18.021 11.793 ( 11.109 -10.295 0.000) 15.145 11.970 ( -12.214 2.831 0.000) 12.538 12.106 ( -21.236 -20.528 0.000) 29.536 12.326 ( 5.813 2.079 0.000) 6.173 12.502 ( -9.307 5.081 0.000) 10.603 12.780 ( 23.268 -0.092 0.000) 23.268 13.211 ( -15.645 -3.504 0.000) 16.032 13.398 ( 13.520 14.212 0.000) 19.616 13.605 ( 3.093 -12.105 0.000) 12.494 13.734 ( -11.006 -2.124 0.000) 11.209 13.833 ( -9.207 -30.656 0.000) 32.009 15.356 ( 8.923 -30.725 0.000) 31.995 15.454 ( -1.284 -24.626 0.000) 24.659 16.496 ( 11.121 6.803 0.000) 13.037 16.665 ( -4.298 8.214 0.000) 9.270 17.101 ( 8.877 15.850 0.000) 18.167 17.356 ( -14.794 14.024 0.000) 20.385 19.112 ( 3.181 -1.591 0.000) 3.557 19.172 ( -0.950 -4.822 0.000) 4.915 19.178 ( 5.741 0.747 0.000) 5.790 19.216 ( 5.770 -0.994 0.000) 5.854 19.297 ( -4.271 0.466 0.000) 4.296 19.329 ( -1.684 -12.503 0.000) 12.616 19.607 ( 2.731 0.593 0.000) 2.794 19.682 ( -3.591 -5.825 0.000) 6.843 20.346 ( 1.366 -0.035 0.000) 1.367 20.396 ( -3.277 4.551 0.000) 5.608 20.532 ( 4.359 0.499 0.000) 4.388 20.571 ( 1.518 5.263 0.000) 5.477 20.627 ( -3.827 4.718 0.000) 6.075 20.631 ( -4.613 0.413 0.000) 4.632 21.137 ( 2.861 -5.796 0.000) 6.464 21.193 ( -2.396 -9.582 0.000) 9.877 28.043 ( 2.443 1.966 0.000) 3.136 28.095 ( -2.566 1.342 0.000) 2.895 28.368 ( 0.629 -2.748 0.000) 2.819 28.379 ( -0.513 -3.179 0.000) 3.220 36.978 ( 3.539 6.171 0.000) 7.114 37.042 ( -2.299 6.829 0.000) 7.206 37.238 ( 7.131 5.962 0.000) 9.295 37.345 ( -1.274 3.567 0.000) 3.787 37.984 ( -2.540 19.070 0.000) 19.239 38.066 ( -8.177 10.413 0.000) 13.240 39.029 ( 0.816 -5.879 0.000) 5.936 39.119 ( -6.862 -8.634 0.000) 11.029 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 12.608 0.000) 12.608 1.658 ( 0.000 -0.896 0.000) 0.896 1.720 ( 0.000 18.795 0.000) 18.795 1.971 ( 0.000 3.291 0.000) 3.291 1.977 ( 0.000 9.444 0.000) 9.444 2.203 ( 0.000 -1.237 0.000) 1.237 2.469 ( 0.000 7.635 0.000) 7.635 2.802 ( 0.000 5.370 0.000) 5.370 2.804 ( 0.000 1.857 0.000) 1.857 2.909 ( 0.000 -4.388 0.000) 4.388 3.097 ( 0.000 -3.992 0.000) 3.992 3.199 ( 0.000 -9.176 0.000) 9.176 4.244 ( 0.000 26.643 0.000) 26.643 4.901 ( 0.000 -3.059 0.000) 3.059 5.001 ( 0.000 30.801 0.000) 30.801 5.124 ( 0.000 -5.217 0.000) 5.217 5.270 ( 0.000 11.102 0.000) 11.102 5.945 ( 0.000 14.982 0.000) 14.982 6.192 ( 0.000 -12.555 0.000) 12.555 6.576 ( 0.000 -4.387 0.000) 4.387 6.673 ( 0.000 6.882 0.000) 6.882 7.173 ( 0.000 -17.616 0.000) 17.616 7.217 ( 0.000 2.986 0.000) 2.986 7.469 ( 0.000 -17.875 0.000) 17.875 8.126 ( 0.000 37.543 0.000) 37.543 8.222 ( 0.000 28.284 0.000) 28.284 8.527 ( 0.000 -4.612 0.000) 4.612 8.724 ( 0.000 -13.812 0.000) 13.812 9.086 ( 0.000 -6.035 0.000) 6.035 9.495 ( 0.000 16.375 0.000) 16.375 9.696 ( 0.000 4.284 0.000) 4.284 9.766 ( 0.000 3.034 0.000) 3.034 10.067 ( 0.000 6.291 0.000) 6.291 10.670 ( 0.000 13.883 0.000) 13.883 10.690 ( 0.000 -7.055 0.000) 7.055 10.791 ( 0.000 9.923 0.000) 9.923 10.975 ( 0.000 -4.637 0.000) 4.637 11.003 ( 0.000 10.269 0.000) 10.269 11.596 ( 0.000 -20.155 0.000) 20.155 11.705 ( 0.000 18.910 0.000) 18.910 11.766 ( 0.000 -4.499 0.000) 4.499 11.820 ( 0.000 -17.707 0.000) 17.707 12.222 ( 0.000 -11.855 0.000) 11.855 12.669 ( 0.000 -13.927 0.000) 13.927 12.989 ( 0.000 10.061 0.000) 10.061 13.081 ( 0.000 2.676 0.000) 2.676 13.222 ( 0.000 4.714 0.000) 4.714 13.379 ( 0.000 -23.988 0.000) 23.988 13.773 ( 0.000 -15.728 0.000) 15.728 13.948 ( 0.000 -14.492 0.000) 14.492 14.437 ( 0.000 8.956 0.000) 8.956 15.022 ( 0.000 -13.140 0.000) 13.140 16.223 ( 0.000 19.627 0.000) 19.627 17.048 ( 0.000 20.290 0.000) 20.290 17.116 ( 0.000 6.968 0.000) 6.968 17.679 ( 0.000 -22.031 0.000) 22.031 18.731 ( 0.000 -14.742 0.000) 14.742 18.878 ( 0.000 -8.830 0.000) 8.830 19.031 ( 0.000 6.801 0.000) 6.801 19.171 ( 0.000 11.324 0.000) 11.324 19.286 ( 0.000 7.239 0.000) 7.239 19.288 ( 0.000 -1.936 0.000) 1.936 19.772 ( 0.000 -0.510 0.000) 0.510 19.810 ( 0.000 -3.731 0.000) 3.731 20.262 ( 0.000 6.155 0.000) 6.155 20.442 ( 0.000 -0.114 0.000) 0.114 20.453 ( 0.000 -0.051 0.000) 0.051 20.801 ( 0.000 0.620 0.000) 0.620 20.845 ( 0.000 1.615 0.000) 1.615 20.880 ( 0.000 -0.837 0.000) 0.837 20.936 ( 0.000 -3.814 0.000) 3.814 21.069 ( 0.000 -3.593 0.000) 3.593 28.022 ( 0.000 4.147 0.000) 4.147 28.214 ( 0.000 0.559 0.000) 0.559 28.301 ( 0.000 -2.008 0.000) 2.008 28.310 ( 0.000 -4.838 0.000) 4.838 36.906 ( 0.000 3.279 0.000) 3.279 37.016 ( 0.000 0.249 0.000) 0.249 37.046 ( 0.000 0.007 0.000) 0.007 37.095 ( 0.000 -0.068 0.000) 0.068 38.606 ( 0.000 9.924 0.000) 9.924 38.765 ( 0.000 19.223 0.000) 19.223 39.264 ( 0.000 -11.320 0.000) 11.320 39.819 ( 0.000 -13.927 0.000) 13.927 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 4.776 12.364 0.000) 13.254 1.711 ( 5.689 -0.702 0.000) 5.732 1.760 ( 3.531 15.982 0.000) 16.367 1.963 ( -0.767 3.655 0.000) 3.735 2.006 ( 2.678 8.009 0.000) 8.445 2.193 ( -1.253 -0.954 0.000) 1.575 2.481 ( 0.700 6.979 0.000) 7.014 2.730 ( -5.958 2.838 0.000) 6.599 2.797 ( -0.440 5.516 0.000) 5.533 2.845 ( -6.026 -3.934 0.000) 7.196 3.108 ( 1.237 -4.577 0.000) 4.741 3.232 ( 2.449 -9.129 0.000) 9.452 4.284 ( 4.147 24.096 0.000) 24.450 4.898 ( -0.331 -2.283 0.000) 2.307 5.091 ( 6.052 19.761 0.000) 20.667 5.147 ( 1.838 -4.861 0.000) 5.197 5.328 ( 6.523 15.508 0.000) 16.824 5.990 ( 3.964 13.059 0.000) 13.648 6.150 ( -2.341 -15.478 0.000) 15.654 6.627 ( -4.704 6.040 0.000) 7.656 6.676 ( 8.137 1.316 0.000) 8.243 7.137 ( -5.695 -0.006 0.000) 5.695 7.208 ( 3.196 -14.926 0.000) 15.264 7.509 ( 1.502 -5.472 0.000) 5.674 8.143 ( 1.835 35.756 0.000) 35.803 8.223 ( 0.027 28.737 0.000) 28.737 8.440 ( -4.792 -6.822 0.000) 8.336 8.638 ( -7.322 -13.869 0.000) 15.683 9.196 ( 9.687 -4.539 0.000) 10.698 9.518 ( -17.407 8.211 0.000) 19.246 9.535 ( -15.039 3.404 0.000) 15.420 9.678 ( 14.851 13.950 0.000) 20.375 10.240 ( 11.377 3.998 0.000) 12.059 10.465 ( -10.642 10.674 0.000) 15.073 10.708 ( 1.746 -5.149 0.000) 5.437 10.862 ( 6.618 6.657 0.000) 9.387 10.923 ( -6.863 9.029 0.000) 11.341 11.297 ( 9.302 -7.792 0.000) 12.134 11.429 ( 0.578 -8.030 0.000) 8.051 11.686 ( -1.438 13.066 0.000) 13.145 11.728 ( -8.481 -10.546 0.000) 13.533 11.885 ( 6.830 -11.488 0.000) 13.365 12.234 ( 1.287 -11.464 0.000) 11.536 12.717 ( 4.720 -16.386 0.000) 17.052 12.961 ( -3.024 10.225 0.000) 10.663 12.962 ( -13.676 -0.866 0.000) 13.703 13.193 ( 4.467 6.158 0.000) 7.607 13.478 ( 3.178 -19.940 0.000) 20.192 13.714 ( -5.944 -14.620 0.000) 15.782 14.119 ( 15.723 -17.962 0.000) 23.872 14.358 ( -7.068 9.787 0.000) 12.072 15.043 ( 1.396 -15.014 0.000) 15.079 16.296 ( 6.786 18.431 0.000) 19.641 16.992 ( -3.022 15.374 0.000) 15.669 17.182 ( 4.017 11.340 0.000) 12.030 17.687 ( 0.112 -19.979 0.000) 19.979 18.772 ( 3.746 -14.719 0.000) 15.188 18.907 ( 2.662 -8.620 0.000) 9.022 19.051 ( 2.007 6.435 0.000) 6.741 19.058 ( -6.723 9.375 0.000) 11.536 19.246 ( -1.235 -1.168 0.000) 1.700 19.403 ( 4.716 5.605 0.000) 7.325 19.750 ( -2.146 -0.954 0.000) 2.348 19.782 ( -2.602 -4.300 0.000) 5.026 20.282 ( 1.967 7.174 0.000) 7.439 20.441 ( 0.186 0.230 0.000) 0.296 20.461 ( 0.644 -0.348 0.000) 0.732 20.782 ( -1.792 0.775 0.000) 1.953 20.820 ( -2.371 3.960 0.000) 4.616 20.828 ( -3.738 -1.287 0.000) 3.953 20.974 ( 2.324 -3.444 0.000) 4.155 21.061 ( -0.602 -4.811 0.000) 4.848 28.031 ( 0.851 4.005 0.000) 4.095 28.200 ( -1.270 0.858 0.000) 1.532 28.303 ( 0.153 -2.208 0.000) 2.214 28.310 ( 0.038 -4.727 0.000) 4.728 36.931 ( 2.409 3.710 0.000) 4.424 37.051 ( 3.405 0.507 0.000) 3.443 37.070 ( 2.787 1.247 0.000) 3.054 37.162 ( 5.455 -0.443 0.000) 5.473 38.555 ( -4.725 9.955 0.000) 11.020 38.700 ( -6.133 17.699 0.000) 18.731 39.211 ( -4.900 -11.282 0.000) 12.300 39.588 ( -20.044 -8.396 0.000) 21.732 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 7.326 12.118 0.000) 14.160 1.834 ( 2.452 10.191 0.000) 10.481 1.878 ( 9.423 0.281 0.000) 9.427 1.950 ( 0.169 4.932 0.000) 4.935 2.083 ( 4.622 3.338 0.000) 5.701 2.150 ( -2.343 0.152 0.000) 2.348 2.438 ( -6.616 2.422 0.000) 7.046 2.641 ( -2.281 4.036 0.000) 4.637 2.684 ( -7.530 0.868 0.000) 7.579 2.783 ( -0.998 6.304 0.000) 6.383 3.150 ( 2.673 -6.004 0.000) 6.572 3.270 ( 0.799 -9.004 0.000) 9.039 4.420 ( 8.957 18.396 0.000) 20.461 4.880 ( -1.798 0.025 0.000) 1.798 5.169 ( 1.824 5.205 0.000) 5.515 5.183 ( 1.349 -4.024 0.000) 4.244 5.529 ( 10.988 16.934 0.000) 20.187 6.060 ( 0.452 9.422 0.000) 9.432 6.153 ( 3.277 -17.660 0.000) 17.962 6.497 ( -6.166 1.729 0.000) 6.404 6.853 ( 7.846 8.926 0.000) 11.884 7.027 ( -4.691 4.091 0.000) 6.225 7.290 ( 4.358 -8.194 0.000) 9.280 7.498 ( -1.951 7.779 0.000) 8.020 8.206 ( 3.933 28.943 0.000) 29.209 8.225 ( 0.287 29.162 0.000) 29.163 8.339 ( -5.541 -7.553 0.000) 9.368 8.580 ( 4.015 -8.190 0.000) 9.121 9.056 ( -23.932 13.693 0.000) 27.573 9.252 ( -13.541 0.853 0.000) 13.568 9.433 ( 12.786 -4.343 0.000) 13.504 10.002 ( 15.094 10.530 0.000) 18.404 10.240 ( -10.580 -0.650 0.000) 10.600 10.483 ( 10.094 11.086 0.000) 14.993 10.743 ( -9.907 8.530 0.000) 13.073 10.755 ( 2.380 -2.599 0.000) 3.524 11.052 ( 11.601 1.833 0.000) 11.745 11.139 ( -8.085 -8.225 0.000) 11.534 11.478 ( -13.672 -11.951 0.000) 18.159 11.705 ( 3.355 14.810 0.000) 15.185 11.725 ( 7.548 -20.911 0.000) 22.231 12.024 ( 7.645 -5.178 0.000) 9.234 12.348 ( 11.910 -1.506 0.000) 12.005 12.632 ( -16.052 3.537 0.000) 16.437 12.837 ( -1.356 -0.855 0.000) 1.603 12.871 ( 1.799 -10.051 0.000) 10.211 13.300 ( 2.230 -14.406 0.000) 14.578 13.514 ( 3.791 1.219 0.000) 3.982 13.522 ( -12.687 -11.706 0.000) 17.262 14.173 ( -10.511 11.435 0.000) 15.532 14.490 ( 17.902 -24.654 0.000) 30.468 15.051 ( -1.164 -19.208 0.000) 19.243 16.480 ( 10.430 15.976 0.000) 19.079 16.941 ( -2.447 12.982 0.000) 13.211 17.261 ( 3.961 11.971 0.000) 12.609 17.649 ( -4.374 -11.393 0.000) 12.204 18.870 ( 5.259 -14.287 0.000) 15.224 18.971 ( -1.323 1.376 0.000) 1.909 18.980 ( 4.190 -8.209 0.000) 9.216 19.119 ( 4.582 5.353 0.000) 7.046 19.211 ( -2.277 -2.782 0.000) 3.595 19.446 ( -0.966 5.319 0.000) 5.406 19.690 ( -3.276 -1.728 0.000) 3.704 19.711 ( -3.964 -4.385 0.000) 5.911 20.341 ( 3.656 8.519 0.000) 9.271 20.459 ( 1.421 0.070 0.000) 1.422 20.480 ( 1.426 0.187 0.000) 1.438 20.730 ( -3.470 1.128 0.000) 3.649 20.744 ( -4.053 -0.955 0.000) 4.164 20.752 ( -3.911 7.354 0.000) 8.329 21.016 ( 1.697 -3.833 0.000) 4.192 21.052 ( -0.197 -6.084 0.000) 6.088 28.056 ( 1.502 3.596 0.000) 3.897 28.168 ( -1.776 1.507 0.000) 2.329 28.306 ( 0.126 -2.692 0.000) 2.695 28.311 ( 0.008 -4.402 0.000) 4.402 37.003 ( 4.427 4.921 0.000) 6.619 37.144 ( 3.400 3.608 0.000) 4.958 37.155 ( 6.584 1.063 0.000) 6.669 37.286 ( 5.942 -0.368 0.000) 5.953 38.426 ( -7.314 10.411 0.000) 12.723 38.528 ( -10.164 15.569 0.000) 18.593 39.078 ( -7.461 -11.078 0.000) 13.356 39.144 ( -19.198 -3.404 0.000) 19.498 ======================= Grid point 24 (16/80) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 7.633 10.906 0.000) 13.311 1.819 ( -3.692 8.667 0.000) 9.421 1.994 ( 3.515 4.234 0.000) 5.503 2.060 ( 5.678 4.554 0.000) 7.279 2.073 ( -0.676 -0.442 0.000) 0.808 2.244 ( 9.221 -2.479 0.000) 9.548 2.252 ( -9.834 1.928 0.000) 10.021 2.456 ( -10.774 -4.285 0.000) 11.595 2.698 ( 2.986 9.882 0.000) 10.324 2.752 ( -2.082 7.925 0.000) 8.194 3.210 ( 2.945 -7.396 0.000) 7.961 3.260 ( -1.643 -8.441 0.000) 8.599 4.628 ( 10.307 11.422 0.000) 15.385 4.804 ( -6.117 4.555 0.000) 7.627 5.191 ( 0.595 -0.045 0.000) 0.597 5.197 ( 0.062 -2.666 0.000) 2.667 5.738 ( 9.680 12.089 0.000) 15.487 5.945 ( -9.890 10.145 0.000) 14.168 6.279 ( 7.915 -16.767 0.000) 18.542 6.414 ( -4.043 -10.510 0.000) 11.261 6.958 ( 1.909 12.332 0.000) 12.479 6.966 ( -0.752 11.176 0.000) 11.201 7.375 ( 3.778 0.791 0.000) 3.860 7.446 ( -3.079 8.355 0.000) 8.904 8.239 ( 0.971 23.837 0.000) 23.857 8.253 ( -0.347 1.217 0.000) 1.266 8.335 ( 7.393 30.239 0.000) 31.130 8.605 ( -18.510 18.216 0.000) 25.970 8.745 ( 10.488 -6.989 0.000) 12.603 8.983 ( -12.454 -3.551 0.000) 12.950 9.711 ( 13.962 -3.647 0.000) 14.431 9.994 ( -13.165 -2.162 0.000) 13.341 10.274 ( 11.681 6.488 0.000) 13.362 10.503 ( -10.497 3.071 0.000) 10.937 10.691 ( 6.914 15.093 0.000) 16.601 10.777 ( -1.009 5.999 0.000) 6.083 11.057 ( 0.691 -10.674 0.000) 10.696 11.175 ( -8.792 -5.900 0.000) 10.588 11.371 ( 13.148 -14.519 0.000) 19.588 11.651 ( -11.053 -23.015 0.000) 25.532 11.848 ( 10.489 12.005 0.000) 15.942 12.093 ( -9.036 8.672 0.000) 12.524 12.412 ( 6.150 6.681 0.000) 9.081 12.642 ( -11.949 9.155 0.000) 15.053 12.755 ( 20.588 -2.916 0.000) 20.794 13.025 ( 5.436 -20.751 0.000) 21.452 13.210 ( -15.168 -13.195 0.000) 20.105 13.232 ( -6.699 -29.447 0.000) 30.199 13.691 ( 11.473 15.308 0.000) 19.130 13.938 ( -12.036 13.696 0.000) 18.233 14.801 ( 11.919 -26.084 0.000) 28.678 14.982 ( -5.818 -23.517 0.000) 24.226 16.696 ( 9.856 13.694 0.000) 16.872 16.861 ( -5.876 12.281 0.000) 13.614 17.364 ( 6.364 8.947 0.000) 10.979 17.516 ( -7.752 0.562 0.000) 7.773 18.964 ( 3.128 -13.206 0.000) 13.572 18.981 ( 1.000 -8.717 0.000) 8.774 19.070 ( 4.343 -7.433 0.000) 8.609 19.151 ( -3.461 -5.001 0.000) 6.082 19.232 ( 6.258 4.644 0.000) 7.793 19.365 ( -6.097 4.690 0.000) 7.693 19.637 ( -1.500 -1.616 0.000) 2.205 19.642 ( -2.125 -2.657 0.000) 3.402 20.423 ( 3.789 7.586 0.000) 8.480 20.472 ( -0.644 2.722 0.000) 2.797 20.538 ( 4.124 0.040 0.000) 4.124 20.635 ( -5.005 -0.196 0.000) 5.009 20.681 ( -2.209 6.663 0.000) 7.019 20.682 ( -1.988 2.317 0.000) 3.052 21.042 ( 0.805 -4.573 0.000) 4.643 21.050 ( -0.130 -5.585 0.000) 5.587 28.091 ( 1.838 2.978 0.000) 3.500 28.130 ( -1.900 2.248 0.000) 2.944 28.308 ( 0.105 -3.298 0.000) 3.299 28.310 ( -0.062 -3.900 0.000) 3.901 37.102 ( 4.709 6.331 0.000) 7.891 37.170 ( -1.309 6.197 0.000) 6.334 37.303 ( 6.689 0.924 0.000) 6.753 37.371 ( 1.002 -0.302 0.000) 1.046 38.294 ( -4.047 12.361 0.000) 13.006 38.324 ( -7.406 15.226 0.000) 16.932 38.904 ( -3.876 -7.044 0.000) 8.041 38.935 ( -5.458 -10.150 0.000) 11.524 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 6.592 0.000) 6.592 1.624 ( 0.000 -2.867 0.000) 2.867 1.964 ( 0.000 6.744 0.000) 6.744 2.014 ( 0.000 0.561 0.000) 0.561 2.109 ( 0.000 4.732 0.000) 4.732 2.173 ( 0.000 -2.163 0.000) 2.163 2.645 ( 0.000 9.745 0.000) 9.745 2.805 ( 0.000 -6.561 0.000) 6.561 2.866 ( 0.000 5.164 0.000) 5.164 2.904 ( 0.000 5.268 0.000) 5.268 3.006 ( 0.000 -5.202 0.000) 5.202 3.013 ( 0.000 -9.492 0.000) 9.492 4.771 ( 0.000 26.209 0.000) 26.209 4.911 ( 0.000 3.629 0.000) 3.629 5.013 ( 0.000 -6.086 0.000) 6.086 5.154 ( 0.000 -10.069 0.000) 10.069 5.614 ( 0.000 18.090 0.000) 18.090 5.925 ( 0.000 -14.914 0.000) 14.914 6.292 ( 0.000 20.050 0.000) 20.050 6.575 ( 0.000 7.774 0.000) 7.774 6.643 ( 0.000 -12.479 0.000) 12.479 6.837 ( 0.000 -16.825 0.000) 16.825 7.208 ( 0.000 -4.608 0.000) 4.608 7.217 ( 0.000 -2.070 0.000) 2.070 8.465 ( 0.000 -1.285 0.000) 1.285 8.500 ( 0.000 -4.719 0.000) 4.719 8.729 ( 0.000 18.014 0.000) 18.014 8.955 ( 0.000 43.193 0.000) 43.193 8.960 ( 0.000 -7.721 0.000) 7.721 9.637 ( 0.000 -17.932 0.000) 17.932 9.839 ( 0.000 4.115 0.000) 4.115 9.960 ( 0.000 29.962 0.000) 29.962 9.960 ( 0.000 -11.630 0.000) 11.630 10.464 ( 0.000 -18.545 0.000) 18.545 10.864 ( 0.000 5.462 0.000) 5.462 10.910 ( 0.000 -1.486 0.000) 1.486 11.005 ( 0.000 13.600 0.000) 13.600 11.148 ( 0.000 5.324 0.000) 5.324 11.275 ( 0.000 -10.327 0.000) 10.327 11.374 ( 0.000 -24.492 0.000) 24.492 11.785 ( 0.000 6.870 0.000) 6.870 11.987 ( 0.000 -12.358 0.000) 12.358 12.076 ( 0.000 18.631 0.000) 18.631 12.400 ( 0.000 -14.840 0.000) 14.840 13.056 ( 0.000 -1.525 0.000) 1.525 13.092 ( 0.000 -6.807 0.000) 6.807 13.211 ( 0.000 12.870 0.000) 12.870 13.413 ( 0.000 12.275 0.000) 12.275 13.480 ( 0.000 -14.726 0.000) 14.726 13.669 ( 0.000 -14.109 0.000) 14.109 14.610 ( 0.000 9.047 0.000) 9.047 14.795 ( 0.000 -10.437 0.000) 10.437 16.664 ( 0.000 25.638 0.000) 25.638 17.186 ( 0.000 -27.559 0.000) 27.559 17.248 ( 0.000 5.941 0.000) 5.941 17.288 ( 0.000 3.896 0.000) 3.896 18.594 ( 0.000 0.850 0.000) 0.850 18.705 ( 0.000 -8.595 0.000) 8.595 19.228 ( 0.000 13.666 0.000) 13.666 19.230 ( 0.000 0.968 0.000) 0.968 19.254 ( 0.000 -1.542 0.000) 1.542 19.542 ( 0.000 12.517 0.000) 12.517 19.543 ( 0.000 -17.777 0.000) 17.777 19.716 ( 0.000 -5.672 0.000) 5.672 20.441 ( 0.000 0.185 0.000) 0.185 20.448 ( 0.000 -0.415 0.000) 0.415 20.528 ( 0.000 15.466 0.000) 15.466 20.771 ( 0.000 -8.413 0.000) 8.413 20.832 ( 0.000 0.695 0.000) 0.695 20.871 ( 0.000 -2.800 0.000) 2.800 20.906 ( 0.000 4.185 0.000) 4.185 20.991 ( 0.000 -4.406 0.000) 4.406 28.111 ( 0.000 4.998 0.000) 4.998 28.211 ( 0.000 -5.258 0.000) 5.258 28.232 ( 0.000 1.290 0.000) 1.290 28.263 ( 0.000 -1.855 0.000) 1.855 36.965 ( 0.000 2.683 0.000) 2.683 37.005 ( 0.000 -1.398 0.000) 1.398 37.055 ( 0.000 0.936 0.000) 0.936 37.079 ( 0.000 -1.293 0.000) 1.293 38.813 ( 0.000 11.361 0.000) 11.361 39.038 ( 0.000 -11.850 0.000) 11.850 39.149 ( 0.000 19.863 0.000) 19.863 39.513 ( 0.000 -17.593 0.000) 17.593 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 5.067 6.576 0.000) 8.302 1.679 ( 5.525 -2.803 0.000) 6.195 1.971 ( 0.658 5.952 0.000) 5.988 2.012 ( -0.069 0.908 0.000) 0.911 2.118 ( 0.773 4.022 0.000) 4.096 2.171 ( -0.364 -1.653 0.000) 1.693 2.617 ( -3.471 6.582 0.000) 7.441 2.729 ( -6.189 -4.846 0.000) 7.861 2.857 ( -0.651 7.543 0.000) 7.571 2.903 ( -0.061 5.455 0.000) 5.456 3.009 ( 0.415 -5.495 0.000) 5.510 3.042 ( 2.114 -10.368 0.000) 10.581 4.769 ( 0.355 24.764 0.000) 24.767 4.924 ( 1.049 4.360 0.000) 4.484 5.035 ( 1.932 -6.394 0.000) 6.680 5.146 ( -0.732 -10.882 0.000) 10.907 5.662 ( 4.232 13.759 0.000) 14.395 5.882 ( -2.414 -11.253 0.000) 11.509 6.284 ( -0.802 16.550 0.000) 16.570 6.575 ( -6.049 -11.359 0.000) 12.869 6.720 ( 11.839 6.222 0.000) 13.374 6.927 ( 8.033 -13.771 0.000) 15.943 7.179 ( 0.714 6.376 0.000) 6.416 7.345 ( 6.773 -9.460 0.000) 11.634 8.356 ( -7.241 -0.727 0.000) 7.278 8.417 ( -6.122 -6.468 0.000) 8.906 8.782 ( 4.689 22.692 0.000) 23.171 8.951 ( -0.730 41.307 0.000) 41.313 9.070 ( 8.964 -9.194 0.000) 12.841 9.502 ( -11.534 -10.324 0.000) 15.479 9.683 ( -13.333 9.341 0.000) 16.280 10.000 ( 1.554 -23.361 0.000) 23.413 10.073 ( 9.537 25.975 0.000) 27.670 10.520 ( 4.753 -16.352 0.000) 17.029 10.741 ( -5.165 13.532 0.000) 14.484 10.960 ( -3.509 -8.796 0.000) 9.470 11.014 ( 1.256 10.393 0.000) 10.468 11.149 ( -1.511 2.223 0.000) 2.688 11.276 ( 2.077 -8.089 0.000) 8.352 11.323 ( -4.693 -21.649 0.000) 22.152 11.844 ( 6.996 6.729 0.000) 9.706 12.034 ( 5.729 -10.842 0.000) 12.263 12.061 ( -1.231 18.928 0.000) 18.968 12.403 ( 0.676 -16.562 0.000) 16.576 12.964 ( -8.708 1.508 0.000) 8.837 13.056 ( -3.592 -9.075 0.000) 9.760 13.182 ( -3.127 12.502 0.000) 12.887 13.438 ( -4.208 -13.906 0.000) 14.529 13.521 ( 9.395 12.637 0.000) 15.747 13.796 ( 11.398 -15.573 0.000) 19.298 14.556 ( -5.016 10.712 0.000) 11.828 14.777 ( -1.946 -12.480 0.000) 12.631 16.716 ( 4.904 24.669 0.000) 25.152 17.218 ( -1.759 9.133 0.000) 9.301 17.220 ( 3.076 -26.574 0.000) 26.751 17.320 ( 1.965 0.392 0.000) 2.004 18.635 ( 3.698 0.850 0.000) 3.795 18.742 ( 3.398 -8.192 0.000) 8.869 19.172 ( -5.451 3.176 0.000) 6.309 19.216 ( -2.839 -1.769 0.000) 3.345 19.234 ( 0.692 12.710 0.000) 12.729 19.528 ( -1.235 -16.739 0.000) 16.784 19.560 ( 1.033 8.928 0.000) 8.988 19.697 ( -1.844 -4.857 0.000) 5.195 20.445 ( 0.365 0.241 0.000) 0.437 20.452 ( 0.512 -0.462 0.000) 0.690 20.540 ( 1.094 14.428 0.000) 14.469 20.751 ( -1.928 -6.564 0.000) 6.841 20.814 ( -1.526 2.079 0.000) 2.579 20.884 ( 1.086 -5.156 0.000) 5.269 20.900 ( -0.651 4.212 0.000) 4.262 20.979 ( -0.987 -4.029 0.000) 4.148 28.117 ( 0.570 4.840 0.000) 4.874 28.214 ( 0.283 -5.110 0.000) 5.118 28.224 ( -0.745 1.605 0.000) 1.769 28.261 ( -0.249 -2.126 0.000) 2.141 36.997 ( 3.120 2.997 0.000) 4.326 37.042 ( 3.523 -1.486 0.000) 3.824 37.099 ( 4.196 1.803 0.000) 4.567 37.137 ( 5.112 -1.903 0.000) 5.454 38.763 ( -4.685 11.327 0.000) 12.258 38.987 ( -4.785 -11.781 0.000) 12.716 39.045 ( -9.449 17.640 0.000) 20.012 39.360 ( -13.810 -14.543 0.000) 20.056 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 8.063 7.885 0.000) 11.278 1.842 ( 9.608 -3.816 0.000) 10.338 1.983 ( 0.272 4.907 0.000) 4.915 2.017 ( 0.713 1.334 0.000) 1.513 2.135 ( 0.616 1.917 0.000) 2.014 2.155 ( -0.750 -0.171 0.000) 0.769 2.488 ( -8.583 3.284 0.000) 9.190 2.570 ( -9.175 -4.921 0.000) 10.412 2.864 ( 1.245 11.174 0.000) 11.243 2.904 ( 0.122 6.245 0.000) 6.246 3.027 ( 1.311 -6.515 0.000) 6.646 3.078 ( 1.127 -10.725 0.000) 10.784 4.804 ( 3.119 20.375 0.000) 20.612 4.945 ( 0.687 6.006 0.000) 6.045 5.077 ( 1.820 -6.796 0.000) 7.035 5.129 ( -0.720 -10.556 0.000) 10.580 5.767 ( 5.605 7.170 0.000) 9.101 5.884 ( 3.448 -8.463 0.000) 9.139 6.245 ( -3.854 9.534 0.000) 10.284 6.417 ( -8.892 -7.850 0.000) 11.862 6.973 ( 11.158 6.124 0.000) 12.728 7.121 ( 9.666 -8.850 0.000) 13.106 7.194 ( 0.035 12.003 0.000) 12.003 7.430 ( 0.744 -10.737 0.000) 10.763 8.258 ( -0.392 3.042 0.000) 3.068 8.381 ( 4.210 -8.258 0.000) 9.269 8.893 ( -6.285 30.759 0.000) 31.395 8.904 ( 6.889 28.758 0.000) 29.572 9.211 ( -15.929 -6.405 0.000) 17.168 9.288 ( 11.918 -12.011 0.000) 16.921 9.376 ( -13.891 23.872 0.000) 27.619 9.972 ( -4.779 -28.100 0.000) 28.504 10.279 ( 9.045 18.603 0.000) 20.685 10.627 ( 5.134 -12.993 0.000) 13.970 10.664 ( -3.228 8.009 0.000) 8.635 10.822 ( -7.316 -6.666 0.000) 9.897 11.056 ( -5.198 8.538 0.000) 9.996 11.072 ( 4.447 1.766 0.000) 4.785 11.197 ( -7.090 -12.768 0.000) 14.604 11.322 ( 0.276 -17.031 0.000) 17.034 12.052 ( 1.370 19.643 0.000) 19.691 12.084 ( 15.018 8.093 0.000) 17.060 12.261 ( 16.013 -8.220 0.000) 18.000 12.444 ( 3.593 -20.924 0.000) 21.230 12.731 ( -12.807 7.347 0.000) 14.765 12.937 ( -7.845 -14.884 0.000) 16.825 13.067 ( -8.300 11.765 0.000) 14.399 13.296 ( -9.885 -11.805 0.000) 15.397 13.751 ( 12.154 15.356 0.000) 19.584 14.077 ( 14.484 -18.739 0.000) 23.684 14.416 ( -8.297 13.724 0.000) 16.037 14.706 ( -5.145 -16.418 0.000) 17.205 16.851 ( 7.761 22.015 0.000) 23.343 17.185 ( -1.707 12.082 0.000) 12.202 17.295 ( 3.761 -22.678 0.000) 22.987 17.355 ( 1.400 -3.355 0.000) 3.636 18.730 ( 5.185 0.732 0.000) 5.236 18.831 ( 4.922 -7.504 0.000) 8.974 19.046 ( -6.153 5.072 0.000) 7.974 19.139 ( -4.519 -4.385 0.000) 6.297 19.267 ( 2.800 10.214 0.000) 10.591 19.505 ( -0.677 -13.504 0.000) 13.521 19.554 ( -2.210 5.493 0.000) 5.921 19.643 ( -3.215 -3.525 0.000) 4.771 20.463 ( 1.544 0.404 0.000) 1.596 20.473 ( 1.702 -0.584 0.000) 1.799 20.563 ( 0.701 10.596 0.000) 10.619 20.693 ( -3.531 -3.866 0.000) 5.235 20.781 ( -1.226 4.666 0.000) 4.824 20.873 ( -1.998 5.222 0.000) 5.592 20.910 ( 1.304 -7.131 0.000) 7.249 20.960 ( -0.681 -4.126 0.000) 4.182 28.134 ( 0.984 4.395 0.000) 4.504 28.204 ( -1.090 2.271 0.000) 2.519 28.222 ( 0.463 -4.689 0.000) 4.712 28.253 ( -0.442 -2.711 0.000) 2.747 37.090 ( 5.671 3.905 0.000) 6.885 37.147 ( 6.480 -1.849 0.000) 6.739 37.207 ( 5.374 3.029 0.000) 6.169 37.260 ( 5.981 -2.249 0.000) 6.390 38.637 ( -6.807 11.334 0.000) 13.221 38.802 ( -12.934 12.930 0.000) 18.289 38.859 ( -7.032 -11.521 0.000) 13.497 39.019 ( -17.038 -9.231 0.000) 19.378 ======================= Grid point 31 (20/80) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 6.720 8.916 0.000) 11.165 1.974 ( -1.478 6.519 0.000) 6.685 2.027 ( 5.756 -4.489 0.000) 7.299 2.041 ( 1.326 -0.133 0.000) 1.332 2.138 ( 2.545 3.330 0.000) 4.191 2.195 ( 5.117 -2.610 0.000) 5.744 2.292 ( -9.753 2.671 0.000) 10.112 2.365 ( -10.146 -4.692 0.000) 11.179 2.891 ( 1.104 10.051 0.000) 10.112 2.904 ( -0.188 7.876 0.000) 7.878 3.058 ( 1.581 -8.078 0.000) 8.231 3.083 ( -0.613 -9.719 0.000) 9.738 4.882 ( 3.842 14.138 0.000) 14.651 4.939 ( -1.445 8.847 0.000) 8.964 5.105 ( 0.873 -7.185 0.000) 7.238 5.117 ( -0.498 -8.530 0.000) 8.544 5.902 ( 8.150 5.646 0.000) 9.914 6.023 ( 9.224 -8.919 0.000) 12.831 6.098 ( -9.807 6.299 0.000) 11.656 6.225 ( -9.709 -7.940 0.000) 12.542 7.139 ( 4.733 8.131 0.000) 9.408 7.186 ( -0.720 11.369 0.000) 11.392 7.290 ( 6.439 -7.231 0.000) 9.682 7.391 ( -3.661 -9.203 0.000) 9.904 8.375 ( 11.065 9.637 0.000) 14.673 8.569 ( 12.853 -9.584 0.000) 16.033 8.660 ( -14.875 15.042 0.000) 21.155 8.874 ( -16.212 -7.910 0.000) 18.039 9.049 ( 6.733 35.297 0.000) 35.933 9.177 ( -6.395 38.404 0.000) 38.933 9.549 ( 13.109 -15.468 0.000) 20.275 9.805 ( -11.003 -21.178 0.000) 23.866 10.425 ( 5.802 10.802 0.000) 12.262 10.554 ( -6.886 4.387 0.000) 8.165 10.715 ( 3.002 -16.040 0.000) 16.318 10.746 ( -0.747 -16.117 0.000) 16.134 10.994 ( -0.164 14.902 0.000) 14.902 11.056 ( -5.691 3.068 0.000) 6.466 11.183 ( 5.584 -7.695 0.000) 9.508 11.282 ( -3.717 -15.641 0.000) 16.076 12.148 ( 8.060 18.531 0.000) 20.208 12.318 ( -1.556 14.609 0.000) 14.691 12.556 ( 7.111 -23.588 0.000) 24.636 12.560 ( 5.237 6.729 0.000) 8.527 12.633 ( 16.469 -11.207 0.000) 19.920 12.763 ( -6.118 -15.651 0.000) 16.804 12.838 ( -13.627 10.336 0.000) 17.104 13.027 ( -16.006 -9.094 0.000) 18.409 13.999 ( 11.621 16.813 0.000) 20.438 14.224 ( -10.224 16.038 0.000) 19.020 14.354 ( 11.995 -20.457 0.000) 23.715 14.565 ( -8.512 -19.540 0.000) 21.313 17.011 ( 7.232 18.381 0.000) 19.752 17.130 ( -4.075 14.811 0.000) 15.361 17.357 ( 1.940 -15.445 0.000) 15.566 17.373 ( 0.203 -8.033 0.000) 8.036 18.835 ( 4.861 0.948 0.000) 4.953 18.933 ( -4.864 3.106 0.000) 5.771 18.934 ( 4.972 -7.122 0.000) 8.686 19.038 ( -5.118 -6.405 0.000) 8.199 19.351 ( 5.239 7.611 0.000) 9.240 19.468 ( -5.565 5.733 0.000) 7.990 19.515 ( 1.882 -8.746 0.000) 8.946 19.574 ( -3.399 -4.809 0.000) 5.889 20.506 ( 2.469 1.240 0.000) 2.763 20.528 ( 3.561 -0.985 0.000) 3.695 20.554 ( -1.694 4.495 0.000) 4.804 20.611 ( -4.263 -2.089 0.000) 4.748 20.780 ( 1.260 7.914 0.000) 8.013 20.824 ( -2.580 7.419 0.000) 7.855 20.934 ( 0.983 -6.983 0.000) 7.052 20.949 ( -0.530 -5.556 0.000) 5.581 28.156 ( 1.175 3.746 0.000) 3.926 28.181 ( -1.192 3.011 0.000) 3.239 28.232 ( 0.524 -4.077 0.000) 4.111 28.243 ( -0.515 -3.388 0.000) 3.427 37.212 ( 5.439 4.912 0.000) 7.328 37.274 ( 0.179 4.496 0.000) 4.500 37.285 ( 5.942 -2.522 0.000) 6.455 37.343 ( 1.024 -2.559 0.000) 2.757 38.524 ( -2.837 11.369 0.000) 11.718 38.572 ( -7.811 10.882 0.000) 13.396 38.735 ( -3.815 -10.592 0.000) 11.258 38.756 ( -6.961 -8.415 0.000) 10.921 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 0.000 29.550) 29.550 0.707 ( 0.000 0.000 32.044) 32.044 0.969 ( 0.000 0.000 42.525) 42.525 1.689 ( 0.000 0.000 0.786) 0.786 1.851 ( 0.000 0.000 3.003) 3.003 2.201 ( 0.000 0.000 -5.554) 5.554 2.254 ( 0.000 0.000 -2.715) 2.715 2.560 ( 0.000 0.000 -1.714) 1.714 2.772 ( 0.000 0.000 -1.104) 1.104 3.004 ( 0.000 0.000 -1.749) 1.749 3.232 ( 0.000 0.000 15.416) 15.416 3.238 ( 0.000 0.000 5.343) 5.343 3.482 ( 0.000 0.000 1.337) 1.337 3.574 ( 0.000 0.000 8.096) 8.096 5.067 ( 0.000 0.000 0.682) 0.682 5.260 ( 0.000 0.000 -4.131) 4.131 5.295 ( 0.000 0.000 -4.617) 4.617 5.810 ( 0.000 0.000 -16.371) 16.371 6.064 ( 0.000 0.000 -5.274) 5.274 6.118 ( 0.000 0.000 -12.692) 12.692 6.312 ( 0.000 0.000 8.168) 8.168 6.670 ( 0.000 0.000 3.471) 3.471 6.712 ( 0.000 0.000 8.847) 8.847 7.488 ( 0.000 0.000 2.229) 2.229 8.049 ( 0.000 0.000 5.120) 5.120 8.531 ( 0.000 0.000 -22.356) 22.356 8.817 ( 0.000 0.000 0.030) 0.030 8.837 ( 0.000 0.000 3.138) 3.138 8.887 ( 0.000 0.000 -19.066) 19.066 9.342 ( 0.000 0.000 1.999) 1.999 9.555 ( 0.000 0.000 5.803) 5.803 9.657 ( 0.000 0.000 20.416) 20.416 9.719 ( 0.000 0.000 -10.221) 10.221 9.868 ( 0.000 0.000 2.160) 2.160 10.238 ( 0.000 0.000 -2.885) 2.885 10.639 ( 0.000 0.000 1.782) 1.782 10.704 ( 0.000 0.000 -14.339) 14.339 10.942 ( 0.000 0.000 1.562) 1.562 11.415 ( 0.000 0.000 4.124) 4.124 11.545 ( 0.000 0.000 26.077) 26.077 12.047 ( 0.000 0.000 1.551) 1.551 12.076 ( 0.000 0.000 3.649) 3.649 12.576 ( 0.000 0.000 -9.767) 9.767 12.687 ( 0.000 0.000 15.912) 15.912 12.696 ( 0.000 0.000 1.666) 1.666 12.737 ( 0.000 0.000 -5.996) 5.996 13.820 ( 0.000 0.000 -16.028) 16.028 14.296 ( 0.000 0.000 -19.791) 19.791 14.661 ( 0.000 0.000 -5.417) 5.417 14.698 ( 0.000 0.000 13.676) 13.676 15.178 ( 0.000 0.000 4.527) 4.527 15.855 ( 0.000 0.000 8.630) 8.630 15.888 ( 0.000 0.000 14.166) 14.166 16.869 ( 0.000 0.000 -2.177) 2.177 16.879 ( 0.000 0.000 -10.336) 10.336 17.365 ( 0.000 0.000 -15.778) 15.778 18.825 ( 0.000 0.000 4.054) 4.054 18.952 ( 0.000 0.000 0.053) 0.053 19.164 ( 0.000 0.000 -2.888) 2.888 19.253 ( 0.000 0.000 1.842) 1.842 19.258 ( 0.000 0.000 12.610) 12.610 19.392 ( 0.000 0.000 0.249) 0.249 19.525 ( 0.000 0.000 -4.743) 4.743 20.082 ( 0.000 0.000 -4.376) 4.376 20.378 ( 0.000 0.000 -0.693) 0.693 20.411 ( 0.000 0.000 -0.421) 0.421 20.414 ( 0.000 0.000 3.018) 3.018 20.468 ( 0.000 0.000 1.756) 1.756 20.637 ( 0.000 0.000 -1.068) 1.068 20.844 ( 0.000 0.000 -9.184) 9.184 21.276 ( 0.000 0.000 9.568) 9.568 21.762 ( 0.000 0.000 -2.305) 2.305 27.933 ( 0.000 0.000 3.430) 3.430 28.235 ( 0.000 0.000 1.946) 1.946 28.371 ( 0.000 0.000 -0.367) 0.367 28.432 ( 0.000 0.000 -3.521) 3.521 36.787 ( 0.000 0.000 0.823) 0.823 36.933 ( 0.000 0.000 -1.368) 1.368 36.967 ( 0.000 0.000 0.813) 0.813 37.065 ( 0.000 0.000 -0.563) 0.563 37.153 ( 0.000 0.000 7.598) 7.598 38.106 ( 0.000 0.000 -6.512) 6.512 39.482 ( 0.000 0.000 0.947) 0.947 39.646 ( 0.000 0.000 -1.420) 1.420 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( -4.944 0.000 22.315) 22.856 0.897 ( 15.527 0.000 22.400) 27.255 1.410 ( 21.980 0.000 32.449) 39.192 1.721 ( 8.848 0.000 -4.122) 9.761 1.838 ( -1.311 0.000 3.003) 3.276 2.200 ( -0.094 0.000 -5.231) 5.232 2.249 ( -0.453 0.000 -2.666) 2.704 2.540 ( -6.504 0.000 -5.274) 8.373 2.716 ( -4.755 0.000 0.535) 4.785 2.946 ( -5.306 0.000 -1.620) 5.548 3.273 ( 3.336 0.000 5.036) 6.041 3.334 ( 9.876 0.000 14.620) 17.642 3.551 ( 2.598 0.000 -1.262) 2.889 4.130 ( 31.857 0.000 -22.811) 39.181 5.131 ( 5.741 0.000 1.059) 5.838 5.253 ( -5.150 0.000 -6.802) 8.532 5.274 ( 1.204 0.000 -5.880) 6.002 5.750 ( -4.292 0.000 -9.100) 10.062 5.960 ( -9.200 0.000 -2.873) 9.639 6.051 ( -2.139 0.000 -3.737) 4.306 6.424 ( 7.005 0.000 9.023) 11.423 6.595 ( -1.693 0.000 0.996) 1.965 6.810 ( 4.501 0.000 5.033) 6.752 7.494 ( 0.674 0.000 2.397) 2.490 8.019 ( -4.947 0.000 -0.300) 4.956 8.305 ( -15.396 0.000 -12.323) 19.720 8.699 ( -12.654 0.000 -11.429) 17.052 8.823 ( 3.225 0.000 3.005) 4.408 9.040 ( 9.950 0.000 -6.366) 11.812 9.397 ( -6.838 0.000 11.041) 12.988 9.412 ( 6.825 0.000 3.243) 7.556 9.677 ( 2.204 0.000 14.030) 14.202 9.886 ( 5.959 0.000 -4.195) 7.287 9.896 ( 2.381 0.000 3.917) 4.584 10.279 ( 2.668 0.000 -6.052) 6.614 10.660 ( 2.236 0.000 2.459) 3.324 10.778 ( 7.364 0.000 -15.166) 16.859 10.996 ( 5.117 0.000 0.546) 5.146 11.367 ( -4.191 0.000 4.409) 6.084 11.463 ( -8.520 0.000 6.026) 10.436 12.083 ( 2.896 0.000 1.385) 3.210 12.230 ( 10.784 0.000 15.902) 19.213 12.467 ( -8.620 0.000 -11.496) 14.369 12.697 ( 2.520 0.000 13.995) 14.220 12.744 ( -0.867 0.000 -0.857) 1.220 12.927 ( 16.043 0.000 -13.632) 21.053 13.621 ( -18.792 0.000 -9.425) 21.023 14.043 ( -20.941 0.000 0.185) 20.941 14.313 ( -2.979 0.000 -6.228) 6.904 14.960 ( -3.754 0.000 -5.666) 6.797 15.478 ( 22.830 0.000 -4.164) 23.207 15.916 ( 5.956 0.000 6.316) 8.681 15.974 ( 7.548 0.000 9.489) 12.125 16.525 ( -15.483 0.000 -0.910) 15.510 16.946 ( -2.663 0.000 -1.279) 2.954 17.272 ( -8.681 0.000 -15.027) 17.354 18.849 ( 2.367 0.000 4.723) 5.283 18.951 ( 2.393 0.000 1.366) 2.755 19.177 ( 0.413 0.000 -4.385) 4.405 19.224 ( -2.626 0.000 10.424) 10.749 19.332 ( 2.663 0.000 -0.353) 2.686 19.406 ( 2.271 0.000 -0.444) 2.314 19.613 ( 7.451 0.000 -3.326) 8.160 20.095 ( 1.192 0.000 -4.697) 4.846 20.229 ( -5.527 0.000 9.050) 10.605 20.393 ( -1.961 0.000 3.205) 3.757 20.452 ( 0.299 0.000 -1.402) 1.433 20.472 ( -0.097 0.000 0.589) 0.597 20.609 ( -2.667 0.000 -0.990) 2.845 20.788 ( -3.658 0.000 -3.369) 4.973 21.227 ( -0.682 0.000 9.888) 9.912 21.806 ( -0.756 0.000 -5.074) 5.130 27.959 ( 1.706 0.000 3.520) 3.911 28.207 ( -2.379 0.000 1.262) 2.693 28.383 ( 1.016 0.000 0.106) 1.022 28.440 ( 0.588 0.000 -2.570) 2.637 36.794 ( 0.682 0.000 0.844) 1.085 36.940 ( 0.617 0.000 -1.313) 1.451 36.956 ( -0.961 0.000 0.814) 1.260 37.060 ( -0.486 0.000 -0.632) 0.797 37.228 ( 7.019 0.000 7.659) 10.389 38.184 ( 3.323 0.000 -6.261) 7.088 39.206 ( -14.726 0.000 9.946) 17.771 39.588 ( -5.475 0.000 -1.977) 5.821 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 29.606 0.000 -19.282) 35.332 1.235 ( 15.701 0.000 11.671) 19.564 1.729 ( 11.223 0.000 18.731) 21.836 1.792 ( -3.378 0.000 3.138) 4.611 2.003 ( 12.886 0.000 -3.956) 13.479 2.200 ( 0.127 0.000 -4.443) 4.445 2.237 ( -0.748 0.000 -2.641) 2.745 2.333 ( -10.577 0.000 -4.149) 11.361 2.592 ( -7.300 0.000 1.500) 7.452 2.803 ( -8.205 0.000 -0.841) 8.248 3.367 ( 5.419 0.000 4.332) 6.938 3.590 ( 0.676 0.000 0.053) 0.678 3.632 ( 18.764 0.000 11.935) 22.238 4.625 ( 18.893 0.000 -23.116) 29.855 5.029 ( -16.960 0.000 -6.612) 18.203 5.275 ( 5.278 0.000 1.694) 5.543 5.286 ( 1.505 0.000 -12.044) 12.138 5.702 ( 0.396 0.000 0.036) 0.398 5.791 ( -7.682 0.000 -0.537) 7.701 5.968 ( -5.306 0.000 -0.541) 5.333 6.604 ( 11.184 0.000 12.245) 16.584 6.630 ( 4.386 0.000 -6.041) 7.465 6.866 ( 0.731 0.000 0.619) 0.958 7.522 ( 2.355 0.000 2.655) 3.549 7.752 ( -20.215 0.000 -10.902) 22.967 7.999 ( -13.675 0.000 -5.678) 14.806 8.599 ( 4.174 0.000 10.947) 11.716 8.918 ( 5.539 0.000 3.135) 6.365 9.160 ( 1.679 0.000 -2.333) 2.874 9.264 ( -7.204 0.000 17.261) 18.704 9.612 ( 11.459 0.000 4.372) 12.265 9.754 ( 5.002 0.000 2.053) 5.407 9.930 ( 0.121 0.000 -3.682) 3.684 9.940 ( 1.263 0.000 3.322) 3.554 10.273 ( -2.839 0.000 -6.346) 6.952 10.740 ( 5.546 0.000 3.605) 6.614 10.865 ( -7.344 0.000 8.704) 11.389 11.120 ( 3.322 0.000 -2.929) 4.429 11.294 ( 1.096 0.000 5.665) 5.770 11.382 ( 9.062 0.000 -25.003) 26.595 12.088 ( -6.397 0.000 -7.037) 9.510 12.321 ( -1.382 0.000 -1.690) 2.183 12.472 ( 11.109 0.000 7.538) 13.425 12.680 ( -5.210 0.000 5.482) 7.562 12.806 ( 7.597 0.000 13.055) 15.105 12.975 ( -16.837 0.000 -12.076) 20.720 13.380 ( 1.847 0.000 -6.250) 6.517 13.726 ( -10.844 0.000 -0.675) 10.865 14.191 ( -6.672 0.000 -0.398) 6.684 14.809 ( -9.919 0.000 -4.100) 10.732 15.851 ( 13.126 0.000 -5.459) 14.216 16.097 ( 11.436 0.000 0.929) 11.474 16.125 ( 3.881 0.000 1.068) 4.025 16.352 ( 0.305 0.000 -2.682) 2.699 16.844 ( -6.387 0.000 -2.821) 6.982 17.029 ( -14.393 0.000 -12.867) 19.306 18.918 ( 4.114 0.000 5.907) 7.199 19.036 ( 4.726 0.000 0.807) 4.794 19.165 ( -3.088 0.000 8.579) 9.117 19.189 ( 0.720 0.000 -3.378) 3.454 19.328 ( -1.053 0.000 2.899) 3.085 19.455 ( 0.866 0.000 -1.468) 1.704 19.792 ( 9.248 0.000 -2.958) 9.709 20.123 ( 1.070 0.000 -5.745) 5.843 20.200 ( 1.909 0.000 6.515) 6.789 20.344 ( -2.254 0.000 3.851) 4.462 20.428 ( -2.487 0.000 -1.529) 2.920 20.486 ( 1.867 0.000 1.521) 2.409 20.532 ( -4.713 0.000 -0.657) 4.758 20.711 ( -3.896 0.000 -1.126) 4.055 21.262 ( 3.720 0.000 6.872) 7.814 21.716 ( -7.093 0.000 -1.627) 7.277 27.995 ( 1.887 0.000 3.490) 3.967 28.150 ( -2.926 0.000 0.909) 3.064 28.407 ( 1.214 0.000 0.341) 1.262 28.450 ( 0.255 0.000 -0.859) 0.896 36.815 ( 1.307 0.000 0.892) 1.582 36.925 ( -1.721 0.000 0.822) 1.907 36.962 ( 1.221 0.000 -1.186) 1.702 37.045 ( -0.992 0.000 -0.795) 1.271 37.426 ( 11.809 0.000 7.751) 14.125 38.154 ( -6.233 0.000 2.725) 6.803 39.046 ( -1.466 0.000 -0.297) 1.496 39.437 ( -8.689 0.000 -3.398) 9.330 ======================= Grid point 66 (24/80) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 25.798 0.000 -15.948) 30.330 1.512 ( 11.036 0.000 6.193) 12.655 1.691 ( -6.603 0.000 3.891) 7.664 1.750 ( -14.574 0.000 -2.528) 14.792 2.125 ( 8.217 0.000 -3.381) 8.885 2.206 ( 0.525 0.000 -3.545) 3.584 2.220 ( -0.779 0.000 -2.891) 2.995 2.299 ( -2.032 0.000 5.247) 5.627 2.469 ( 1.172 0.000 0.626) 1.328 2.623 ( -9.097 0.000 0.786) 9.131 3.481 ( 5.306 0.000 3.194) 6.193 3.568 ( -2.806 0.000 1.604) 3.232 4.083 ( 24.262 0.000 7.047) 25.265 4.592 ( -24.200 0.000 0.281) 24.202 4.964 ( 14.172 0.000 -20.610) 25.012 5.193 ( -7.759 0.000 -16.935) 18.627 5.451 ( 8.591 0.000 0.448) 8.603 5.627 ( -8.353 0.000 -0.218) 8.356 5.755 ( 4.110 0.000 1.334) 4.321 5.855 ( -5.406 0.000 0.582) 5.437 6.741 ( 5.669 0.000 -7.475) 9.381 6.838 ( -3.316 0.000 -4.368) 5.484 6.896 ( 17.141 0.000 7.170) 18.580 7.300 ( -21.751 0.000 -3.736) 22.070 7.601 ( 5.527 0.000 1.917) 5.850 7.757 ( -9.711 0.000 -0.988) 9.761 8.797 ( 13.058 0.000 19.551) 23.511 9.036 ( 5.607 0.000 3.025) 6.371 9.068 ( -12.011 0.000 21.107) 24.285 9.134 ( -3.538 0.000 1.799) 3.969 9.826 ( 7.787 0.000 1.685) 7.967 9.858 ( 4.640 0.000 -2.141) 5.110 9.924 ( -1.757 0.000 -3.791) 4.179 9.931 ( -2.175 0.000 -0.285) 2.194 10.268 ( 6.243 0.000 -1.262) 6.369 10.547 ( -17.929 0.000 9.484) 20.283 10.880 ( 7.667 0.000 3.225) 8.318 11.039 ( -7.352 0.000 1.356) 7.476 11.505 ( 15.145 0.000 -2.748) 15.392 11.772 ( 24.188 0.000 -25.238) 34.957 11.832 ( -15.601 0.000 -9.230) 18.127 12.298 ( -25.219 0.000 -20.033) 32.207 12.401 ( 6.497 0.000 6.653) 9.299 12.547 ( -7.206 0.000 8.025) 10.786 12.907 ( 13.374 0.000 6.997) 15.094 13.072 ( 10.543 0.000 3.782) 11.201 13.267 ( -6.856 0.000 2.278) 7.225 13.504 ( -15.461 0.000 0.978) 15.492 14.244 ( 12.619 0.000 0.623) 12.634 14.553 ( -14.787 0.000 -1.636) 14.877 16.034 ( 5.430 0.000 -3.215) 6.311 16.110 ( -2.685 0.000 -2.399) 3.601 16.375 ( 15.239 0.000 -4.800) 15.977 16.499 ( 10.068 0.000 -6.214) 11.831 16.693 ( -8.386 0.000 -6.059) 10.346 16.706 ( -16.420 0.000 -9.463) 18.952 19.009 ( 4.452 0.000 6.850) 8.170 19.094 ( -3.806 0.000 7.610) 8.509 19.119 ( 3.356 0.000 0.977) 3.496 19.179 ( -2.184 0.000 -0.032) 2.184 19.350 ( 3.486 0.000 1.421) 3.764 19.428 ( -3.143 0.000 -0.129) 3.146 19.973 ( 7.923 0.000 -3.527) 8.672 20.101 ( -3.949 0.000 -5.213) 6.540 20.272 ( 4.401 0.000 2.021) 4.843 20.339 ( 2.446 0.000 2.672) 3.622 20.361 ( -3.926 0.000 -0.412) 3.948 20.426 ( -5.217 0.000 0.307) 5.226 20.544 ( 3.609 0.000 1.112) 3.776 20.627 ( -4.215 0.000 0.146) 4.218 21.375 ( 7.195 0.000 4.515) 8.495 21.545 ( -8.852 0.000 1.676) 9.010 28.039 ( 2.337 0.000 2.503) 3.424 28.091 ( -2.749 0.000 1.431) 3.099 28.431 ( 1.059 0.000 0.487) 1.166 28.447 ( -0.507 0.000 0.210) 0.548 36.847 ( 1.777 0.000 0.931) 2.006 36.886 ( -1.963 0.000 0.923) 2.169 36.991 ( 1.474 0.000 -1.128) 1.856 37.020 ( -1.371 0.000 -0.978) 1.684 37.692 ( 13.456 0.000 7.719) 15.513 37.958 ( -11.925 0.000 7.001) 13.828 39.100 ( 5.679 0.000 -5.133) 7.655 39.253 ( -8.693 0.000 -4.900) 9.979 ======================= Grid point 70 (25/80) ======================= q-point: ( 0.00 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.813 ( 0.000 17.767 18.322) 25.522 0.839 ( 0.000 15.005 20.186) 25.152 1.435 ( 0.000 29.026 23.719) 37.485 1.676 ( 0.000 0.116 2.156) 2.159 1.874 ( 0.000 2.221 2.957) 3.698 2.186 ( 0.000 -1.331 -6.059) 6.203 2.301 ( 0.000 3.714 -0.960) 3.836 2.601 ( 0.000 3.922 -1.081) 4.068 2.768 ( 0.000 0.087 -0.153) 0.176 2.997 ( 0.000 -0.744 -1.439) 1.620 3.211 ( 0.000 -1.095 4.482) 4.613 3.457 ( 0.000 -3.592 -1.406) 3.858 3.546 ( 0.000 28.748 11.585) 30.994 3.637 ( 0.000 8.079 10.837) 13.517 5.061 ( 0.000 -0.920 -1.330) 1.617 5.181 ( 0.000 -4.892 0.601) 4.929 5.272 ( 0.000 -2.716 -2.415) 3.635 5.950 ( 0.000 11.540 -20.771) 23.762 5.984 ( 0.000 -9.317 15.889) 18.419 6.278 ( 0.000 15.155 -11.547) 19.053 6.280 ( 0.000 9.050 -7.023) 11.455 6.748 ( 0.000 6.266 9.996) 11.798 6.820 ( 0.000 12.280 0.256) 12.283 7.810 ( 0.000 11.934 -11.746) 16.745 7.879 ( 0.000 -14.801 2.117) 14.952 8.360 ( 0.000 -16.052 -9.362) 18.583 8.801 ( 0.000 -3.695 3.508) 5.095 8.802 ( 0.000 2.265 -10.540) 10.781 9.031 ( 0.000 7.562 -15.655) 17.386 9.295 ( 0.000 -3.951 2.242) 4.543 9.618 ( 0.000 5.567 6.776) 8.769 9.699 ( 0.000 -0.342 -4.190) 4.204 9.736 ( 0.000 7.040 16.627) 18.056 9.936 ( 0.000 2.908 -15.292) 15.566 10.385 ( 0.000 15.069 -2.882) 15.342 10.522 ( 0.000 -3.756 -2.243) 4.375 10.851 ( 0.000 8.828 -7.758) 11.753 10.993 ( 0.000 3.521 7.077) 7.904 11.565 ( 0.000 1.762 24.636) 24.699 11.570 ( 0.000 8.036 -6.970) 10.637 12.025 ( 0.000 -2.591 1.858) 3.188 12.176 ( 0.000 6.595 0.727) 6.635 12.593 ( 0.000 -0.670 -7.387) 7.417 12.655 ( 0.000 -1.835 -0.837) 2.016 12.669 ( 0.000 4.792 3.500) 5.934 12.877 ( 0.000 8.982 1.618) 9.126 13.835 ( 0.000 1.285 -16.433) 16.483 14.134 ( 0.000 -24.940 1.353) 24.976 14.271 ( 0.000 -24.371 -4.912) 24.861 14.656 ( 0.000 -6.519 9.055) 11.158 14.817 ( 0.000 -30.092 9.882) 31.673 15.843 ( 0.000 -9.543 17.672) 20.084 15.956 ( 0.000 -11.635 12.890) 17.364 16.237 ( 0.000 -0.157 10.667) 10.669 16.890 ( 0.000 2.211 -2.777) 3.550 17.577 ( 0.000 16.895 -16.753) 23.793 18.818 ( 0.000 -0.273 5.460) 5.467 18.913 ( 0.000 -0.976 1.096) 1.467 19.132 ( 0.000 -4.498 -1.040) 4.617 19.227 ( 0.000 2.369 1.735) 2.937 19.351 ( 0.000 -3.383 -0.746) 3.464 19.428 ( 0.000 12.832 10.844) 16.800 19.580 ( 0.000 -1.166 -4.052) 4.216 19.890 ( 0.000 -20.801 13.022) 24.541 20.418 ( 0.000 0.629 -0.580) 0.855 20.441 ( 0.000 4.155 -2.806) 5.014 20.472 ( 0.000 15.380 -10.023) 18.358 20.550 ( 0.000 -8.482 -2.684) 8.897 20.652 ( 0.000 7.699 -1.476) 7.840 20.829 ( 0.000 -1.517 -6.832) 6.998 21.221 ( 0.000 -5.192 8.429) 9.900 21.416 ( 0.000 -17.925 10.193) 20.620 27.945 ( 0.000 1.207 3.191) 3.412 28.232 ( 0.000 -0.315 1.810) 1.838 28.360 ( 0.000 -1.025 -0.457) 1.122 28.414 ( 0.000 -1.828 -3.278) 3.754 36.806 ( 0.000 1.798 0.871) 1.998 36.944 ( 0.000 0.489 -1.596) 1.669 37.017 ( 0.000 4.545 1.604) 4.820 37.134 ( 0.000 0.901 6.157) 6.223 37.796 ( 0.000 32.962 -30.966) 45.226 38.158 ( 0.000 5.496 -7.376) 9.198 39.604 ( 0.000 -4.129 -0.406) 4.149 39.744 ( 0.000 16.603 -15.068) 22.421 ======================= Grid point 71 (26/80) ======================= q-point: ( 0.14 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.271 26.102 6.780) 26.970 1.088 ( 13.208 14.375 15.356) 24.837 1.621 ( 11.888 17.797 23.930) 32.104 1.715 ( 8.249 -0.257 -3.939) 9.145 1.864 ( -0.824 2.460 3.159) 4.088 2.181 ( -0.688 -1.700 -5.972) 6.247 2.296 ( -0.106 4.456 -0.620) 4.500 2.568 ( -5.771 3.002 -3.572) 7.422 2.710 ( -4.363 -0.054 0.938) 4.463 2.939 ( -5.387 -0.805 -1.189) 5.576 3.245 ( 3.204 -1.473 4.167) 5.459 3.501 ( 2.788 -4.375 -0.872) 5.261 3.575 ( 8.030 20.886 14.174) 26.488 4.097 ( 28.775 3.376 -8.605) 30.224 5.101 ( 1.979 -4.581 -4.603) 6.789 5.179 ( 0.359 -2.704 1.514) 3.120 5.272 ( 0.251 -1.769 -2.275) 2.893 5.868 ( -6.339 7.225 -11.604) 15.068 6.032 ( 2.610 4.852 9.031) 10.579 6.175 ( -4.308 14.025 -8.479) 16.946 6.396 ( 6.080 6.540 -3.923) 9.753 6.660 ( -4.113 5.682 4.998) 8.613 6.887 ( 2.971 8.131 1.505) 8.787 7.720 ( -6.828 9.432 -3.556) 12.175 7.890 ( 0.207 -9.499 -1.032) 9.557 8.193 ( -12.964 -11.847 -6.733) 18.808 8.675 ( -6.875 -1.615 -6.440) 9.557 8.828 ( -7.667 0.978 -4.740) 9.067 9.081 ( 12.830 2.680 -6.814) 14.772 9.405 ( 3.801 -0.204 6.469) 7.506 9.458 ( -4.950 3.898 6.630) 9.146 9.620 ( -5.137 -5.057 8.080) 10.828 9.850 ( 7.516 5.389 9.746) 13.435 10.047 ( 4.245 5.301 -12.886) 14.566 10.383 ( 0.312 11.463 -3.253) 11.920 10.614 ( 8.881 -0.790 -2.288) 9.205 10.903 ( 3.335 9.380 -9.172) 13.536 11.019 ( 3.344 1.490 4.501) 5.802 11.417 ( -8.256 4.436 4.933) 10.591 11.534 ( -6.620 5.088 3.013) 8.876 12.029 ( 3.280 -4.459 3.780) 6.703 12.291 ( 7.112 3.027 14.277) 16.235 12.485 ( -9.303 2.922 -10.402) 14.257 12.672 ( 1.380 -2.956 0.665) 3.330 12.821 ( 6.390 5.914 1.506) 8.836 12.932 ( 8.229 2.133 -5.941) 10.371 13.563 ( -20.893 -7.932 -3.298) 22.590 13.993 ( -11.926 -5.816 2.061) 13.428 14.151 ( -2.870 -12.585 -13.069) 18.369 14.689 ( -3.920 -26.138 -2.926) 26.592 15.204 ( 25.120 -23.194 2.600) 34.288 15.931 ( 6.087 -22.640 14.999) 27.831 15.989 ( 4.096 -3.860 6.785) 8.816 16.222 ( 0.833 11.719 5.970) 13.178 16.884 ( -1.580 0.494 -3.133) 3.543 17.501 ( -7.427 17.391 -14.736) 23.974 18.866 ( 4.227 0.466 2.587) 4.978 18.970 ( 4.706 0.470 1.927) 5.107 19.140 ( 0.641 -3.626 -0.526) 3.719 19.241 ( 0.796 -0.675 1.280) 1.651 19.319 ( -1.465 0.676 0.753) 1.781 19.443 ( 0.443 8.972 8.493) 12.362 19.625 ( 4.296 -3.858 -3.652) 6.832 19.901 ( 0.847 -18.916 12.169) 22.508 20.342 ( -5.102 14.043 -5.964) 16.087 20.438 ( -0.142 0.963 -1.834) 2.076 20.458 ( -0.505 0.040 -2.329) 2.383 20.556 ( -0.947 -2.777 -2.060) 3.585 20.610 ( -3.216 8.790 0.785) 9.393 20.779 ( -3.403 -0.856 -2.888) 4.544 21.182 ( -0.516 -4.185 8.009) 9.051 21.523 ( 4.260 -19.456 2.009) 20.018 27.962 ( 1.438 0.691 3.233) 3.606 28.204 ( -2.313 -0.233 1.162) 2.599 28.372 ( 0.931 -1.085 0.075) 1.432 28.421 ( 0.558 -1.884 -2.436) 3.130 36.816 ( 0.944 2.066 0.890) 2.440 36.954 ( 0.994 0.946 -1.554) 2.073 37.010 ( -0.522 4.975 1.709) 5.286 37.188 ( 4.440 1.807 5.154) 7.039 37.648 ( -9.551 33.036 -17.935) 38.785 38.219 ( 2.607 3.744 -6.757) 8.153 39.390 ( -22.415 14.799 1.619) 26.908 39.547 ( -5.722 -3.857 -0.975) 6.969 ======================= Grid point 72 (27/80) ======================= q-point: ( 0.29 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 19.798 16.263 -10.186) 27.572 1.365 ( 12.916 10.455 7.247) 18.129 1.797 ( 5.276 4.026 7.702) 10.167 1.816 ( -0.273 4.662 8.661) 9.840 2.001 ( 11.987 -0.034 -3.585) 12.512 2.156 ( -1.662 -3.203 -4.624) 5.865 2.291 ( -2.111 5.009 -1.050) 5.536 2.394 ( -6.888 5.140 -1.836) 8.788 2.604 ( -6.292 1.407 0.709) 6.487 2.795 ( -8.070 -0.662 0.119) 8.098 3.333 ( 5.010 -2.502 3.542) 6.626 3.539 ( 0.619 -4.679 0.031) 4.720 3.845 ( 17.256 18.378 11.503) 27.710 4.605 ( 20.560 1.657 -16.388) 26.345 5.011 ( -10.310 -3.740 -6.264) 12.630 5.251 ( 2.739 -1.629 0.451) 3.219 5.286 ( 2.626 -0.017 -3.175) 4.121 5.699 ( -9.309 6.413 -6.816) 13.200 6.069 ( 0.601 20.522 5.503) 21.255 6.105 ( -2.508 13.082 -3.646) 13.810 6.541 ( 7.789 -0.062 -0.972) 7.850 6.656 ( 4.664 0.003 0.854) 4.742 6.916 ( -0.057 4.781 -0.751) 4.840 7.564 ( -9.294 1.322 2.109) 9.622 7.827 ( -7.152 5.641 -8.885) 12.725 7.930 ( -10.850 -6.379 -4.610) 13.404 8.519 ( -0.889 -4.500 6.407) 7.880 8.855 ( 5.574 -4.912 3.708) 8.303 9.193 ( -5.680 -1.899 6.890) 9.129 9.271 ( -6.945 1.288 11.468) 13.469 9.595 ( 9.927 -3.617 3.623) 11.170 9.657 ( 9.675 -1.089 -2.002) 9.940 9.999 ( 6.369 7.461 6.944) 12.019 10.052 ( -2.276 6.608 -6.958) 9.862 10.363 ( -2.815 8.593 -3.841) 9.825 10.789 ( 1.448 4.384 3.990) 6.102 10.918 ( -0.800 4.290 5.399) 6.942 11.137 ( 3.904 1.814 -5.694) 7.138 11.330 ( 3.254 3.025 0.257) 4.451 11.408 ( 0.867 2.775 -14.293) 14.585 12.077 ( -3.695 -1.296 -4.559) 6.010 12.312 ( -2.843 -0.137 -1.976) 3.465 12.478 ( 7.934 -0.268 4.772) 9.263 12.632 ( -4.433 -5.299 4.399) 8.190 12.863 ( -7.790 0.443 6.989) 10.475 12.978 ( -0.134 5.730 -2.479) 6.245 13.358 ( 3.414 -3.069 -4.761) 6.614 13.752 ( -10.754 2.896 -0.233) 11.140 14.036 ( -6.552 -14.364 -4.413) 16.393 14.565 ( -8.055 -23.350 -2.498) 24.826 15.593 ( 13.153 -20.880 -4.593) 25.101 15.944 ( -2.085 -25.788 1.522) 25.917 16.194 ( 11.947 -0.721 2.936) 12.323 16.336 ( 9.933 17.734 2.247) 20.451 16.810 ( -5.170 1.494 -6.190) 8.202 17.284 ( -13.046 18.236 -9.790) 24.466 18.969 ( 5.284 1.866 0.839) 5.666 19.071 ( 4.623 3.797 2.745) 6.582 19.158 ( 1.175 -1.714 1.313) 2.458 19.218 ( -2.584 1.674 0.040) 3.079 19.331 ( 1.746 -3.010 0.865) 3.585 19.436 ( -0.880 5.956 6.242) 8.673 19.739 ( 6.100 -7.763 -3.219) 10.384 19.914 ( 0.255 -15.739 8.134) 17.719 20.280 ( -0.567 10.087 -3.738) 10.772 20.427 ( -0.950 -0.523 -1.719) 2.032 20.468 ( 1.617 0.608 -0.091) 1.730 20.496 ( -4.040 -0.033 0.638) 4.090 20.551 ( -2.556 7.959 0.710) 8.389 20.707 ( -3.672 -0.373 -1.342) 3.928 21.210 ( 2.926 -4.769 5.385) 7.765 21.527 ( -3.258 -15.771 0.142) 16.104 27.997 ( 1.926 0.428 2.931) 3.533 28.149 ( -2.805 -0.015 0.769) 2.909 28.393 ( 1.075 -1.338 0.367) 1.755 28.431 ( 0.276 -1.896 -0.818) 2.083 36.844 ( 1.800 2.843 0.934) 3.492 36.969 ( -0.521 3.447 0.098) 3.488 37.010 ( 1.489 5.081 -0.284) 5.302 37.242 ( -1.503 9.898 -1.145) 10.077 37.563 ( 3.812 17.647 -0.133) 18.055 38.192 ( -5.647 4.041 1.947) 7.212 39.081 ( -6.791 3.388 0.031) 7.589 39.393 ( -8.807 -4.370 -2.588) 10.167 ======================= Grid point 73 (28/80) ======================= q-point: ( 0.43 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 19.881 4.705 -7.969) 21.930 1.575 ( 3.790 3.550 0.958) 5.281 1.722 ( -3.055 6.065 1.829) 7.033 1.843 ( -7.419 6.420 -0.729) 9.838 2.108 ( 3.288 -1.324 -2.378) 4.268 2.174 ( -1.731 -0.631 -1.458) 2.350 2.239 ( 5.587 0.578 -3.694) 6.723 2.383 ( -3.221 6.088 2.496) 7.326 2.491 ( 0.903 2.463 0.624) 2.697 2.625 ( -8.198 0.866 2.639) 8.656 3.438 ( 4.876 -3.672 2.612) 6.639 3.518 ( -2.619 -4.473 1.287) 5.340 4.253 ( 21.587 13.895 6.555) 26.496 4.688 ( -19.157 6.034 -0.407) 20.089 4.973 ( 14.078 2.962 -15.919) 21.457 5.193 ( -6.900 0.825 -11.321) 13.284 5.399 ( 5.996 -2.027 0.398) 6.342 5.528 ( -6.967 -0.333 -1.902) 7.230 6.063 ( -0.382 22.242 -1.438) 22.291 6.071 ( -1.043 19.230 1.037) 19.286 6.689 ( 6.518 -3.866 -7.773) 10.856 6.779 ( 0.511 -4.045 -6.471) 7.648 6.961 ( 10.009 3.750 5.261) 11.912 7.279 ( -17.260 -0.807 1.687) 17.361 7.719 ( -1.114 8.565 -3.669) 9.384 7.768 ( -5.325 2.231 -2.402) 6.253 8.662 ( 12.413 -10.198 17.745) 23.937 8.951 ( -14.033 -9.386 17.910) 24.613 8.992 ( 6.779 -4.266 5.731) 9.849 9.137 ( -6.848 -1.682 4.808) 8.534 9.824 ( 9.833 -1.276 3.914) 10.660 9.883 ( 9.733 5.471 -4.355) 11.985 9.989 ( -2.853 5.164 -1.671) 6.132 10.067 ( -2.099 11.065 1.108) 11.317 10.329 ( 3.648 5.816 -1.943) 7.135 10.562 ( -15.846 2.878 5.503) 17.019 10.983 ( 4.602 8.360 2.394) 9.839 11.087 ( -5.262 4.027 0.692) 6.663 11.518 ( 14.008 1.532 -2.233) 14.268 11.703 ( 18.739 -5.343 -21.445) 28.976 11.852 ( -11.849 0.788 -9.992) 15.520 12.211 ( -23.728 -8.676 -17.621) 30.802 12.398 ( 7.673 0.135 7.585) 10.790 12.572 ( -8.495 2.395 8.462) 12.227 12.904 ( 15.819 -1.928 8.355) 17.994 13.141 ( 5.492 6.869 0.990) 8.851 13.286 ( -4.806 0.877 1.735) 5.184 13.516 ( -14.637 3.201 -0.985) 15.015 14.080 ( 11.476 -16.009 0.657) 19.709 14.351 ( -12.643 -19.382 -0.539) 23.148 15.788 ( 6.558 -20.461 -5.427) 22.161 15.887 ( -3.520 -21.363 -3.969) 22.011 16.415 ( 9.382 0.051 -2.130) 9.621 16.534 ( 2.582 6.304 -0.619) 6.840 16.744 ( 4.350 11.911 -7.626) 14.797 16.992 ( -14.709 18.183 -5.937) 24.129 19.069 ( 4.260 2.892 0.977) 5.241 19.146 ( -1.513 2.848 2.974) 4.387 19.151 ( 1.115 4.244 2.144) 4.884 19.184 ( -0.279 0.481 0.921) 1.076 19.366 ( 1.896 -0.002 2.183) 2.891 19.409 ( -1.862 1.263 3.262) 3.963 19.849 ( 4.168 -11.452 -2.282) 12.399 19.905 ( -1.364 -13.854 1.672) 14.021 20.311 ( 3.125 2.716 -0.463) 4.166 20.387 ( -3.676 -1.616 0.923) 4.120 20.441 ( 0.033 6.136 -0.969) 6.212 20.473 ( -2.163 7.520 -0.844) 7.871 20.547 ( 3.132 0.573 1.222) 3.410 20.626 ( -4.101 -0.051 -0.054) 4.101 21.297 ( 5.455 -7.071 3.417) 9.562 21.422 ( -6.198 -10.974 1.506) 12.693 28.041 ( 2.325 0.366 2.063) 3.130 28.093 ( -2.660 0.221 1.167) 2.914 28.415 ( 0.947 -1.607 0.491) 1.929 28.429 ( -0.437 -1.800 0.211) 1.864 36.888 ( 2.346 3.939 0.988) 4.690 36.936 ( -2.209 4.727 1.006) 5.314 37.069 ( 3.753 7.066 -1.852) 8.213 37.159 ( -4.856 11.383 -2.778) 12.683 37.752 ( 12.064 6.860 6.457) 15.306 38.004 ( -11.643 5.009 6.803) 14.385 39.069 ( 4.201 -3.017 -4.593) 6.917 39.208 ( -8.522 -4.433 -4.309) 10.528 ======================= Grid point 77 (29/80) ======================= q-point: ( 0.00 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.145 ( 0.000 15.091 9.223) 17.687 1.235 ( 0.000 22.332 2.048) 22.426 1.661 ( 0.000 1.497 -1.567) 2.167 1.879 ( 0.000 13.437 13.499) 19.047 1.926 ( 0.000 2.954 2.219) 3.695 2.162 ( 0.000 -0.882 -5.949) 6.014 2.399 ( 0.000 6.762 3.797) 7.755 2.694 ( 0.000 5.359 -0.357) 5.371 2.778 ( 0.000 0.896 -0.203) 0.919 2.972 ( 0.000 -1.944 -0.558) 2.022 3.182 ( 0.000 -2.209 2.742) 3.521 3.359 ( 0.000 -6.149 -0.137) 6.150 3.889 ( 0.000 17.668 9.089) 19.869 4.252 ( 0.000 40.308 5.963) 40.746 4.973 ( 0.000 -7.180 -4.896) 8.691 5.175 ( 0.000 4.226 4.502) 6.175 5.199 ( 0.000 -4.426 -1.588) 4.703 5.931 ( 0.000 4.023 16.457) 16.942 6.121 ( 0.000 4.163 -20.180) 20.605 6.479 ( 0.000 3.539 -3.524) 4.994 6.494 ( 0.000 10.699 -5.115) 11.859 7.054 ( 0.000 10.463 -2.314) 10.716 7.145 ( 0.000 30.512 -2.481) 30.613 7.592 ( 0.000 -9.819 3.395) 10.389 7.912 ( 0.000 5.106 -3.324) 6.092 8.009 ( 0.000 -18.189 0.649) 18.200 8.707 ( 0.000 -5.514 5.693) 7.926 8.834 ( 0.000 -1.266 -9.873) 9.954 9.109 ( 0.000 1.333 -12.355) 12.427 9.198 ( 0.000 -6.164 -0.403) 6.177 9.658 ( 0.000 -2.550 -5.768) 6.306 9.687 ( 0.000 3.277 2.191) 3.942 9.952 ( 0.000 13.572 10.273) 17.021 10.084 ( 0.000 11.353 -18.576) 21.770 10.550 ( 0.000 5.830 -2.684) 6.418 10.686 ( 0.000 14.239 -3.314) 14.619 11.031 ( 0.000 9.166 0.036) 9.166 11.077 ( 0.000 5.508 14.670) 15.669 11.605 ( 0.000 2.739 18.434) 18.636 11.621 ( 0.000 -1.366 -7.672) 7.793 11.924 ( 0.000 -8.667 2.754) 9.094 12.187 ( 0.000 -5.412 4.211) 6.857 12.455 ( 0.000 -10.462 0.079) 10.463 12.725 ( 0.000 6.460 -8.569) 10.731 12.851 ( 0.000 9.036 -2.194) 9.299 13.034 ( 0.000 6.083 1.424) 6.248 13.445 ( 0.000 -32.170 15.015) 35.501 13.842 ( 0.000 -2.208 -13.747) 13.923 13.976 ( 0.000 -13.981 -12.715) 18.898 14.056 ( 0.000 -36.984 -0.792) 36.992 14.631 ( 0.000 -2.096 18.636) 18.754 15.394 ( 0.000 -20.357 10.037) 22.697 16.017 ( 0.000 9.545 7.977) 12.440 16.618 ( 0.000 24.722 4.417) 25.113 16.957 ( 0.000 4.788 -3.816) 6.123 17.803 ( 0.000 2.353 -13.628) 13.829 18.877 ( 0.000 8.362 2.663) 8.776 18.916 ( 0.000 0.811 -0.546) 0.978 19.017 ( 0.000 -7.012 -1.181) 7.111 19.166 ( 0.000 -18.727 1.481) 18.785 19.263 ( 0.000 0.606 0.819) 1.019 19.412 ( 0.000 -6.358 6.467) 9.069 19.732 ( 0.000 16.383 10.950) 19.706 19.737 ( 0.000 0.208 -0.402) 0.453 20.342 ( 0.000 -10.540 -3.903) 11.240 20.438 ( 0.000 0.556 0.039) 0.557 20.450 ( 0.000 0.183 -0.114) 0.216 20.713 ( 0.000 4.332 -6.806) 8.068 20.799 ( 0.000 -1.002 -3.358) 3.505 20.804 ( 0.000 9.665 -0.460) 9.676 21.104 ( 0.000 -6.191 5.951) 8.587 21.187 ( 0.000 -7.665 3.964) 8.629 27.980 ( 0.000 2.425 2.519) 3.496 28.225 ( 0.000 -0.263 1.439) 1.462 28.333 ( 0.000 -1.765 -0.667) 1.887 28.364 ( 0.000 -3.277 -2.567) 4.162 36.851 ( 0.000 2.663 0.605) 2.731 36.950 ( 0.000 0.163 -2.360) 2.365 37.106 ( 0.000 3.916 3.516) 5.263 37.155 ( 0.000 1.174 7.789) 7.877 38.186 ( 0.000 12.969 -20.746) 24.466 38.321 ( 0.000 11.077 -10.519) 15.276 39.500 ( 0.000 -6.085 3.013) 6.790 39.905 ( 0.000 0.613 -9.577) 9.597 ======================= Grid point 78 (30/80) ======================= q-point: ( 0.14 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 1.745 20.724 2.528) 20.950 1.376 ( 9.720 15.297 4.574) 18.692 1.718 ( 6.247 1.010 -2.310) 6.736 1.914 ( 2.720 8.593 7.926) 12.002 1.923 ( 0.212 5.114 5.637) 7.614 2.151 ( -1.319 -1.039 -5.647) 5.891 2.412 ( 1.106 7.370 4.160) 8.535 2.643 ( -6.196 4.190 -2.134) 7.778 2.728 ( -3.193 1.941 0.592) 3.783 2.915 ( -5.117 -1.578 0.239) 5.360 3.204 ( 2.291 -2.974 2.480) 4.499 3.393 ( 2.443 -6.391 0.095) 6.843 3.967 ( 7.306 17.786 9.792) 21.578 4.454 ( 16.774 30.914 -1.369) 35.199 4.963 ( -1.253 -7.405 -5.118) 9.089 5.203 ( 2.444 3.859 3.770) 5.923 5.219 ( 1.943 -2.961 -0.748) 3.619 5.953 ( 0.347 4.851 6.846) 8.398 6.138 ( 2.900 2.942 -11.429) 12.152 6.468 ( 0.292 6.702 -1.578) 6.892 6.527 ( 1.716 10.207 -3.070) 10.796 6.976 ( -6.535 16.325 -2.890) 17.820 7.123 ( -2.109 22.722 -3.457) 23.080 7.619 ( 0.813 -9.263 6.236) 11.196 7.886 ( -1.516 5.088 -3.464) 6.339 7.924 ( -6.173 -11.459 -2.407) 13.236 8.626 ( -3.388 -3.680 2.121) 5.433 8.801 ( -10.447 -6.171 -7.352) 14.187 9.119 ( 10.731 1.887 -6.954) 12.926 9.392 ( 9.077 -1.661 1.341) 9.325 9.500 ( -12.736 -2.151 6.308) 14.374 9.578 ( -4.443 6.059 1.570) 7.675 10.058 ( 7.572 12.153 3.723) 14.795 10.141 ( 2.803 7.142 -12.285) 14.484 10.632 ( 1.175 10.436 -4.551) 11.446 10.654 ( 4.665 5.744 -4.680) 8.756 11.047 ( -2.067 3.079 16.019) 16.442 11.127 ( 6.489 12.019 -7.490) 15.578 11.463 ( -9.941 -0.705 3.306) 10.500 11.620 ( -3.332 3.674 2.936) 5.764 11.919 ( 3.312 -7.006 4.910) 9.174 12.286 ( 6.091 -4.005 14.083) 15.858 12.473 ( -0.805 -14.436 -4.055) 15.017 12.602 ( -8.828 5.540 -13.695) 17.210 12.957 ( 8.385 5.497 -0.310) 10.031 13.008 ( -3.318 2.310 2.284) 4.644 13.281 ( -8.595 -15.256 10.828) 20.588 13.782 ( -5.938 -13.031 -13.263) 19.519 14.041 ( -0.377 -1.174 -12.289) 12.351 14.064 ( -0.013 -34.661 -0.885) 34.672 14.782 ( 14.365 -16.989 16.227) 27.537 15.423 ( 2.173 -21.040 6.695) 22.186 16.090 ( 6.749 9.059 6.385) 12.976 16.626 ( 1.411 23.079 3.631) 23.406 16.949 ( -1.018 5.895 -5.064) 7.838 17.756 ( -5.008 5.133 -12.366) 14.295 18.899 ( 2.377 4.687 2.178) 5.689 18.967 ( 4.761 -0.023 0.672) 4.808 19.033 ( 1.371 -6.675 -0.557) 6.837 19.215 ( 4.335 -17.448 1.070) 18.010 19.256 ( -0.593 0.580 0.762) 1.126 19.400 ( -1.122 -5.192 4.925) 7.244 19.718 ( -0.764 12.119 5.515) 13.337 19.748 ( 0.238 1.294 4.389) 4.582 20.337 ( -0.363 -8.653 -2.946) 9.148 20.436 ( 0.335 0.751 0.218) 0.851 20.458 ( 0.287 0.695 -0.172) 0.771 20.664 ( -4.582 5.968 -5.363) 9.240 20.763 ( -2.585 0.281 -2.479) 3.593 20.777 ( -2.751 8.122 -0.068) 8.576 21.089 ( -0.003 -4.999 4.608) 6.799 21.229 ( 2.121 -10.852 2.649) 11.370 27.991 ( 0.980 2.203 2.364) 3.377 28.201 ( -2.043 -0.031 0.822) 2.202 28.343 ( 0.710 -1.885 -0.035) 2.015 28.370 ( 0.496 -3.356 -2.003) 3.940 36.868 ( 1.631 3.117 0.644) 3.577 36.971 ( 2.085 0.739 -2.345) 3.224 37.113 ( 0.888 4.845 4.077) 6.394 37.217 ( 5.090 1.298 6.464) 8.329 38.103 ( -6.831 16.132 -18.551) 25.516 38.335 ( 0.428 8.362 -8.741) 12.104 39.434 ( -6.448 -6.241 1.936) 9.180 39.617 ( -22.991 5.523 -2.301) 23.757 ======================= Grid point 79 (31/80) ======================= q-point: ( 0.29 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 9.796 17.852 -1.712) 20.435 1.569 ( 8.339 10.468 1.520) 13.469 1.854 ( 2.360 3.449 0.076) 4.179 1.936 ( 4.224 4.389 6.907) 9.210 2.014 ( 6.461 2.024 -2.092) 7.086 2.109 ( -2.260 -1.306 -3.445) 4.323 2.387 ( -7.233 4.066 -0.414) 8.307 2.522 ( -0.517 8.270 2.761) 8.734 2.637 ( -6.552 1.219 -2.297) 7.049 2.793 ( -5.829 1.150 3.386) 6.839 3.270 ( 3.848 -4.236 2.176) 6.122 3.429 ( 0.617 -6.557 0.347) 6.595 4.178 ( 12.886 14.446 7.986) 20.941 4.805 ( 13.055 15.212 -8.408) 21.738 4.919 ( -1.194 -1.906 -4.848) 5.344 5.227 ( 0.081 -1.239 -0.977) 1.580 5.310 ( 6.318 4.647 2.698) 8.294 5.885 ( -6.977 9.558 -5.204) 12.927 6.254 ( 6.810 3.434 -1.426) 7.760 6.496 ( 1.592 -5.928 0.073) 6.139 6.554 ( 1.773 23.506 -0.169) 23.573 6.850 ( -4.368 15.643 -4.544) 16.865 7.072 ( -2.158 16.116 -3.224) 16.576 7.523 ( -9.967 -6.931 4.424) 12.921 7.834 ( -2.307 2.662 -3.919) 5.270 7.909 ( 2.645 4.220 -5.082) 7.116 8.474 ( -6.963 -2.349 1.546) 7.510 8.763 ( 5.091 -4.800 4.552) 8.347 9.118 ( -13.633 -2.291 14.217) 19.830 9.257 ( -8.419 -1.973 4.593) 9.791 9.542 ( 10.764 -1.368 4.339) 11.686 9.743 ( 15.329 7.815 -5.816) 18.163 10.137 ( -2.956 2.958 -6.934) 8.097 10.216 ( 7.255 13.214 3.031) 15.377 10.550 ( -5.570 9.018 -1.831) 10.756 10.857 ( 3.098 1.630 -1.118) 3.675 10.990 ( 1.560 3.131 4.570) 5.755 11.219 ( -0.834 6.521 -2.091) 6.899 11.379 ( 6.359 1.296 -5.759) 8.677 11.469 ( -7.487 2.781 -3.306) 8.644 12.040 ( 3.268 -2.183 2.111) 4.462 12.339 ( -4.682 0.542 -0.950) 4.808 12.351 ( -14.505 -16.249 -11.921) 24.831 12.494 ( 9.620 -3.367 10.519) 14.647 12.861 ( -8.823 1.725 6.822) 11.286 13.175 ( 10.994 5.894 1.106) 12.523 13.253 ( 3.129 -2.194 2.113) 4.367 13.630 ( -6.502 -19.566 -5.479) 21.333 13.918 ( -10.136 6.644 -6.674) 13.836 14.025 ( -3.941 -28.616 0.071) 28.886 15.098 ( 13.706 -27.742 4.213) 31.228 15.454 ( 0.327 -22.406 0.850) 22.424 16.270 ( 10.053 7.588 2.562) 12.853 16.683 ( 2.762 15.675 2.247) 16.074 16.927 ( 0.479 11.410 -6.979) 13.384 17.589 ( -11.024 10.591 -7.809) 17.167 18.978 ( 5.116 -0.045 -0.705) 5.165 19.066 ( 2.640 -4.032 -0.089) 4.820 19.103 ( 7.190 -4.080 2.733) 8.707 19.234 ( -1.387 0.553 0.571) 1.599 19.303 ( 1.515 -4.124 -1.917) 4.794 19.377 ( 0.253 -15.218 5.028) 16.029 19.698 ( -1.213 11.766 6.228) 13.367 19.743 ( -0.611 -4.478 2.738) 5.284 20.334 ( 0.170 -4.565 -0.848) 4.646 20.447 ( -1.395 3.915 -0.579) 4.196 20.466 ( 2.199 -0.078 0.439) 2.244 20.566 ( -3.368 6.570 -2.413) 7.768 20.702 ( -3.384 0.869 -1.863) 3.960 20.704 ( -3.952 5.620 -0.118) 6.871 21.110 ( 1.762 -4.903 2.711) 5.873 21.243 ( -0.789 -11.961 1.403) 12.068 28.018 ( 1.670 1.799 1.890) 3.098 28.153 ( -2.445 0.459 0.415) 2.522 28.357 ( 0.697 -2.335 0.250) 2.450 28.380 ( 0.348 -3.309 -0.624) 3.386 36.916 ( 3.032 4.366 0.721) 5.364 37.031 ( 3.156 2.815 -2.026) 4.690 37.135 ( 1.324 6.687 2.350) 7.211 37.328 ( 4.377 1.708 4.127) 6.254 37.959 ( -5.397 18.329 -11.539) 22.321 38.309 ( -3.774 7.757 -1.412) 8.741 39.150 ( -16.296 2.498 0.681) 16.500 39.283 ( -9.726 -6.240 0.155) 11.557 ======================= Grid point 80 (32/80) ======================= q-point: ( 0.43 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 11.958 10.667 -1.070) 16.060 1.661 ( -1.884 6.083 0.042) 6.368 1.864 ( 2.555 7.260 0.095) 7.697 1.962 ( -4.364 5.701 -1.527) 7.340 2.088 ( 3.408 -0.338 0.496) 3.460 2.201 ( -7.721 2.118 -1.473) 8.141 2.223 ( 11.002 -1.441 -4.365) 11.924 2.451 ( -10.433 -0.072 -3.579) 11.030 2.588 ( 4.429 7.836 4.923) 10.260 2.686 ( -4.856 5.476 5.134) 8.941 3.351 ( 3.758 -5.456 1.675) 6.834 3.413 ( -2.053 -6.322 0.915) 6.710 4.471 ( 14.693 8.176 3.459) 17.167 4.739 ( -10.395 0.730 -1.898) 10.592 5.095 ( 8.446 6.253 -7.015) 12.635 5.203 ( -2.734 -0.301 -3.344) 4.330 5.474 ( 9.612 11.530 0.371) 15.016 5.691 ( -10.871 14.263 -2.459) 18.101 6.377 ( 5.263 6.780 -5.383) 10.131 6.471 ( -3.506 5.095 -6.990) 9.334 6.658 ( 7.002 9.641 0.615) 11.931 6.780 ( -4.094 8.188 -2.730) 9.553 7.087 ( 5.037 12.171 -0.367) 13.177 7.278 ( -12.247 1.479 0.925) 12.371 7.828 ( 1.817 7.314 -5.325) 9.228 7.895 ( -3.655 8.046 -8.313) 12.132 8.512 ( 10.080 -3.956 18.071) 21.067 8.794 ( -15.656 -4.385 20.364) 26.058 8.908 ( 7.964 -4.140 5.445) 10.499 9.082 ( -8.629 -3.098 4.244) 10.103 9.794 ( 12.175 -1.664 4.263) 13.007 9.990 ( -3.339 2.840 -0.234) 4.389 10.103 ( 10.423 7.986 -2.750) 13.415 10.314 ( -3.229 12.910 -0.683) 13.325 10.455 ( 2.583 6.313 -2.299) 7.198 10.667 ( -13.597 7.487 2.767) 15.767 11.096 ( 3.290 1.393 -3.358) 4.903 11.172 ( -4.222 4.254 0.568) 6.021 11.520 ( 14.861 -5.672 -6.810) 17.303 11.627 ( 14.628 1.166 -9.673) 17.576 11.875 ( -15.811 1.747 -9.637) 18.599 11.975 ( -19.025 -14.553 -10.243) 26.051 12.424 ( 10.182 2.849 9.414) 14.156 12.640 ( -8.766 4.824 9.613) 13.875 12.817 ( 15.158 -6.742 2.701) 16.808 13.145 ( -13.836 -8.322 -5.063) 16.921 13.409 ( 12.155 12.681 1.099) 17.600 13.664 ( -5.797 4.279 2.528) 7.636 13.691 ( 2.853 -16.029 -0.613) 16.293 13.893 ( -8.834 -25.230 2.907) 26.889 15.315 ( 7.606 -27.076 -2.369) 28.223 15.425 ( -3.293 -24.440 -2.885) 24.828 16.477 ( 9.603 6.440 -1.400) 11.647 16.646 ( -6.168 6.786 -2.308) 9.457 17.056 ( 11.405 17.393 -3.395) 21.074 17.327 ( -13.761 14.840 -3.699) 20.574 19.092 ( 5.269 -0.095 -2.247) 5.729 19.128 ( 3.271 -4.679 -0.788) 5.763 19.181 ( -1.770 0.025 0.081) 1.772 19.230 ( -3.046 1.262 -1.823) 3.767 19.287 ( 4.859 -6.312 2.836) 8.455 19.387 ( -2.212 -14.009 4.250) 14.806 19.690 ( 1.043 2.639 5.416) 6.114 19.723 ( -1.457 -3.878 3.506) 5.427 20.347 ( 1.239 0.113 0.108) 1.249 20.391 ( -2.992 4.517 -0.576) 5.448 20.531 ( 3.729 0.815 -0.127) 3.819 20.556 ( 1.627 4.457 -1.279) 4.914 20.621 ( -3.766 4.203 -0.510) 5.666 20.628 ( -3.686 0.957 -0.267) 3.817 21.154 ( 2.479 -6.662 1.581) 7.282 21.207 ( -2.417 -9.727 1.119) 10.085 28.057 ( 2.092 1.405 1.209) 2.795 28.103 ( -2.343 0.967 0.615) 2.609 28.371 ( 0.636 -2.797 0.400) 2.897 28.381 ( -0.242 -3.127 0.221) 3.144 36.987 ( 3.591 5.970 0.828) 7.016 37.049 ( -1.826 6.414 0.585) 6.695 37.207 ( 5.938 6.107 -2.175) 8.792 37.331 ( -4.400 5.191 -1.855) 7.053 37.964 ( 6.426 13.973 1.050) 15.416 38.158 ( -10.189 10.614 5.299) 15.638 38.989 ( 0.211 -5.141 -3.272) 6.098 39.092 ( -8.227 -7.270 -2.607) 11.284 ======================= Grid point 84 (33/80) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.389 ( 0.000 9.950 3.031) 10.401 1.553 ( 0.000 7.200 -4.841) 8.676 1.753 ( 0.000 10.602 0.001) 10.602 1.980 ( 0.000 2.496 0.573) 2.561 2.035 ( 0.000 4.030 4.285) 5.882 2.151 ( 0.000 -0.604 -4.458) 4.498 2.556 ( 0.000 8.933 7.720) 11.806 2.792 ( 0.000 4.296 -0.700) 4.353 2.806 ( 0.000 2.376 0.112) 2.378 2.925 ( 0.000 -2.500 1.242) 2.792 3.120 ( 0.000 -4.196 1.985) 4.642 3.224 ( 0.000 -7.804 2.045) 8.067 4.299 ( 0.000 24.087 5.181) 24.638 4.869 ( 0.000 -2.521 -3.240) 4.105 4.929 ( 0.000 26.217 -4.734) 26.641 5.105 ( 0.000 -5.436 -1.879) 5.752 5.298 ( 0.000 8.099 2.677) 8.530 6.063 ( 0.000 6.461 8.578) 10.739 6.078 ( 0.000 -8.000 -12.787) 15.083 6.495 ( 0.000 -2.614 -7.314) 7.768 6.662 ( 0.000 8.721 8.571) 12.227 7.192 ( 0.000 3.578 -1.558) 3.903 7.216 ( 0.000 -8.386 -4.815) 9.670 7.588 ( 0.000 -15.597 11.839) 19.582 8.137 ( 0.000 38.347 0.826) 38.356 8.216 ( 0.000 28.612 -0.528) 28.617 8.605 ( 0.000 -4.760 6.773) 8.279 8.713 ( 0.000 -9.337 -0.221) 9.339 9.072 ( 0.000 -6.349 -2.344) 6.767 9.169 ( 0.000 5.829 -16.736) 17.722 9.632 ( 0.000 -0.314 -9.889) 9.894 9.806 ( 0.000 8.876 -3.464) 9.528 10.156 ( 0.000 5.316 4.538) 6.990 10.296 ( 0.000 8.866 -16.361) 18.609 10.708 ( 0.000 9.486 0.519) 9.501 10.903 ( 0.000 7.979 1.559) 8.130 11.091 ( 0.000 -6.798 5.196) 8.556 11.191 ( 0.000 4.588 15.056) 15.739 11.571 ( 0.000 -2.681 -6.452) 6.987 11.650 ( 0.000 -7.173 7.808) 10.602 11.754 ( 0.000 3.561 3.611) 5.072 11.964 ( 0.000 -17.568 4.952) 18.253 12.255 ( 0.000 -9.066 3.150) 9.598 12.731 ( 0.000 -19.216 4.706) 19.784 12.875 ( 0.000 8.920 -10.361) 13.672 13.055 ( 0.000 0.996 -7.231) 7.299 13.253 ( 0.000 5.646 6.938) 8.945 13.424 ( 0.000 -23.193 3.580) 23.468 13.708 ( 0.000 -13.261 -7.429) 15.200 13.791 ( 0.000 -6.083 -10.331) 11.989 14.634 ( 0.000 2.445 14.090) 14.300 15.072 ( 0.000 -13.653 4.725) 14.448 16.278 ( 0.000 17.457 5.222) 18.221 17.061 ( 0.000 19.088 1.636) 19.158 17.069 ( 0.000 6.461 -4.573) 7.916 17.634 ( 0.000 -17.797 -4.555) 18.370 18.764 ( 0.000 -15.026 2.853) 15.294 18.865 ( 0.000 -8.314 -1.152) 8.393 18.996 ( 0.000 3.827 -2.803) 4.744 19.135 ( 0.000 15.649 -4.213) 16.206 19.253 ( 0.000 -1.252 -0.463) 1.335 19.359 ( 0.000 -0.924 5.723) 5.797 19.737 ( 0.000 -1.143 -3.042) 3.250 19.850 ( 0.000 -8.145 1.664) 8.313 20.311 ( 0.000 10.856 5.005) 11.955 20.445 ( 0.000 0.062 0.260) 0.267 20.452 ( 0.000 -0.033 -0.091) 0.097 20.754 ( 0.000 0.883 -3.886) 3.985 20.809 ( 0.000 2.033 -1.282) 2.404 20.905 ( 0.000 0.003 2.219) 2.219 21.001 ( 0.000 -4.059 4.094) 5.765 21.088 ( 0.000 -2.876 0.977) 3.037 28.038 ( 0.000 3.541 1.529) 3.857 28.224 ( 0.000 0.243 0.915) 0.946 28.287 ( 0.000 -3.848 -1.995) 4.334 28.300 ( 0.000 -2.376 -0.303) 2.395 36.901 ( 0.000 2.353 -0.315) 2.374 36.951 ( 0.000 -0.060 -2.642) 2.643 37.156 ( 0.000 1.375 5.712) 5.875 37.173 ( 0.000 0.594 8.700) 8.720 38.397 ( 0.000 9.729 -17.813) 20.297 38.545 ( 0.000 10.427 -17.272) 20.175 39.402 ( 0.000 -2.894 9.592) 10.019 39.822 ( 0.000 -8.064 -0.189) 8.066 ======================= Grid point 85 (34/80) ======================= q-point: ( 0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 3.798 11.025 1.737) 11.790 1.615 ( 5.981 6.125 -3.733) 9.340 1.797 ( 4.431 9.041 -0.531) 10.082 1.976 ( -0.313 2.624 0.836) 2.772 2.043 ( 0.762 3.396 3.275) 4.779 2.143 ( -0.945 -0.162 -3.991) 4.104 2.557 ( -0.933 6.767 6.041) 9.119 2.728 ( -4.921 5.238 0.312) 7.194 2.768 ( -3.870 1.085 -1.600) 4.326 2.894 ( -2.352 0.327 3.108) 3.911 3.130 ( 1.194 -4.627 1.939) 5.157 3.255 ( 2.156 -8.034 1.783) 8.507 4.339 ( 3.920 21.446 5.181) 22.408 4.868 ( -0.199 -1.366 -2.881) 3.195 4.989 ( 4.609 16.774 -6.866) 18.702 5.154 ( 3.787 -2.350 -1.046) 4.578 5.336 ( 4.614 10.395 1.703) 11.500 6.036 ( -2.925 -5.200 -9.321) 11.066 6.110 ( 4.301 2.996 6.794) 8.580 6.487 ( -1.113 -1.770 -5.039) 5.455 6.761 ( 7.908 9.451 5.533) 13.509 7.077 ( -5.580 0.573 -4.953) 7.483 7.341 ( 5.503 -4.788 2.028) 7.571 7.495 ( -7.902 -8.761 3.340) 12.261 8.154 ( 1.828 36.794 0.708) 36.846 8.201 ( -1.251 28.417 -1.421) 28.480 8.534 ( -4.966 -5.151 6.989) 10.003 8.626 ( -5.283 -9.251 1.419) 10.748 9.145 ( 7.740 -0.391 -5.516) 9.512 9.343 ( 8.455 -1.705 -7.951) 11.730 9.500 ( -10.402 2.288 -1.426) 10.745 9.766 ( -1.484 12.241 -0.170) 12.332 10.145 ( 1.196 -0.794 -10.087) 10.188 10.397 ( 5.669 13.610 -3.914) 15.254 10.731 ( 2.358 4.710 -4.088) 6.668 10.812 ( -5.310 4.686 1.628) 7.267 11.091 ( -1.438 -2.165 14.160) 14.397 11.253 ( 3.163 -3.416 -2.765) 5.415 11.435 ( -7.628 -0.130 0.965) 7.690 11.688 ( -5.738 4.046 -1.835) 7.257 11.774 ( 7.945 -7.416 10.642) 15.211 12.005 ( 2.122 -18.663 2.818) 18.994 12.276 ( 3.094 -5.438 6.655) 9.134 12.695 ( -9.379 -4.121 -8.715) 13.450 12.804 ( 1.598 -5.195 -1.576) 5.659 13.046 ( -1.211 2.675 1.247) 3.190 13.252 ( 0.741 -1.964 3.307) 3.916 13.477 ( -0.221 -12.576 -1.126) 12.628 13.585 ( -3.508 -12.671 -7.238) 15.008 13.980 ( 10.749 -6.881 -9.529) 15.928 14.599 ( -2.218 -1.913 15.852) 16.120 15.080 ( 0.306 -15.120 3.147) 15.447 16.338 ( 5.520 16.677 4.093) 18.037 16.992 ( -3.369 12.684 -0.537) 13.135 17.128 ( 2.718 12.319 -3.994) 13.232 17.639 ( 0.032 -15.737 -4.680) 16.418 18.810 ( 4.125 -14.694 3.018) 15.558 18.901 ( 3.335 -8.639 -0.460) 9.272 19.009 ( 0.847 3.288 -1.951) 3.916 19.086 ( -2.750 11.553 -0.334) 11.881 19.242 ( -1.030 -1.863 -0.206) 2.138 19.393 ( 1.895 1.959 1.188) 2.973 19.717 ( -1.763 -1.852 -2.297) 3.437 19.834 ( -1.590 -7.012 2.420) 7.586 20.325 ( 1.365 10.189 4.212) 11.110 20.444 ( 0.285 0.250 0.273) 0.467 20.463 ( 0.751 -0.120 0.112) 0.768 20.729 ( -2.336 1.379 -3.938) 4.782 20.777 ( -2.492 1.624 -1.105) 3.173 20.891 ( -2.556 2.930 2.453) 4.597 20.998 ( 0.568 -4.572 2.183) 5.098 21.088 ( -0.156 -4.342 1.773) 4.693 28.045 ( 0.714 3.433 1.376) 3.767 28.205 ( -1.547 0.564 0.346) 1.682 28.295 ( 0.479 -4.238 -1.258) 4.447 28.302 ( 0.342 -2.219 -0.107) 2.248 36.927 ( 2.517 2.840 -0.252) 3.803 36.982 ( 3.053 0.380 -2.736) 4.117 37.181 ( 2.596 2.293 6.439) 7.311 37.232 ( 4.817 0.141 6.965) 8.470 38.349 ( -4.392 10.502 -16.944) 20.413 38.518 ( -2.305 9.116 -14.976) 17.684 39.325 ( -7.232 -3.871 8.148) 11.561 39.619 ( -17.956 -4.478 1.910) 18.605 ======================= Grid point 86 (35/80) ======================= q-point: ( 0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 7.068 11.983 0.591) 13.924 1.750 ( 5.469 6.995 -2.802) 9.310 1.932 ( 7.051 4.580 -0.717) 8.439 1.978 ( 1.974 1.563 1.698) 3.036 2.067 ( 1.797 1.946 -0.167) 2.653 2.109 ( -2.170 1.145 -2.286) 3.354 2.447 ( -9.197 2.552 -0.198) 9.547 2.622 ( -8.551 -2.285 -2.678) 9.247 2.704 ( 1.285 9.839 4.570) 10.925 2.852 ( -1.801 4.504 4.557) 6.655 3.170 ( 2.561 -5.924 1.831) 6.709 3.286 ( 0.532 -8.285 1.269) 8.398 4.460 ( 7.659 16.041 3.857) 18.189 4.852 ( -1.665 1.074 -2.429) 3.135 5.079 ( 3.810 4.034 -6.385) 8.459 5.198 ( 0.321 -1.954 -1.041) 2.237 5.517 ( 11.853 15.042 0.212) 19.152 5.991 ( -1.436 -0.538 -6.138) 6.327 6.223 ( 5.959 -2.546 4.114) 7.676 6.433 ( -4.132 -1.261 -0.258) 4.328 6.912 ( 5.078 11.266 1.553) 12.455 6.971 ( -4.491 3.079 -4.925) 7.342 7.307 ( -5.544 -8.658 -0.349) 10.287 7.425 ( -0.445 4.291 -5.733) 7.175 8.170 ( -0.943 29.819 -2.087) 29.907 8.217 ( 1.914 30.191 -2.891) 30.389 8.408 ( -1.674 -0.948 9.398) 9.592 8.662 ( 6.111 -5.001 8.588) 11.666 9.148 ( -12.820 4.567 5.569) 14.705 9.235 ( -9.428 -0.587 -0.108) 9.446 9.501 ( 9.166 -3.668 5.711) 11.405 9.931 ( 15.064 11.879 -5.801) 20.042 10.145 ( -2.689 -3.224 -9.458) 10.348 10.477 ( 3.233 12.820 1.274) 13.282 10.663 ( -7.565 2.491 -1.873) 8.182 10.857 ( 6.160 -1.152 -9.696) 11.545 11.043 ( -2.870 0.491 14.546) 14.835 11.242 ( -1.425 -8.426 2.301) 8.850 11.346 ( -5.305 -4.529 -7.084) 9.942 11.540 ( -3.092 2.888 -6.008) 7.349 11.879 ( -3.693 -16.364 4.017) 17.250 12.074 ( 7.292 1.454 1.660) 7.618 12.412 ( 9.739 -3.835 6.960) 12.570 12.444 ( -10.642 4.769 -9.288) 14.909 12.892 ( 1.214 -2.973 1.629) 3.601 13.018 ( 0.586 -6.118 6.796) 9.163 13.199 ( -6.559 -21.595 -6.967) 23.620 13.476 ( 3.557 8.199 2.422) 9.260 13.570 ( 0.079 -12.113 0.355) 12.119 14.088 ( -2.385 7.288 -6.924) 10.331 14.629 ( 6.484 -18.839 10.575) 22.556 15.061 ( -2.508 -18.582 0.537) 18.758 16.487 ( 8.420 14.891 0.990) 17.136 16.923 ( -3.739 11.130 -2.279) 11.961 17.195 ( 4.466 12.156 -4.496) 13.709 17.608 ( -3.588 -9.100 -4.314) 10.691 18.911 ( 5.013 -12.506 2.491) 13.702 18.978 ( 1.599 -4.975 1.863) 5.548 19.008 ( 2.584 -3.776 1.965) 4.980 19.108 ( 4.088 4.972 -1.117) 6.533 19.210 ( -2.099 -3.161 -0.094) 3.795 19.392 ( -2.386 4.085 -3.039) 5.622 19.682 ( -1.186 -2.519 0.494) 2.828 19.783 ( -3.284 -5.626 3.872) 7.578 20.366 ( 2.592 9.221 2.347) 9.862 20.464 ( 1.508 0.162 0.464) 1.586 20.482 ( 1.367 0.350 0.201) 1.426 20.671 ( -2.895 2.624 -3.739) 5.408 20.717 ( -3.302 1.566 -0.841) 3.750 20.803 ( -5.230 4.909 1.574) 7.343 21.023 ( 1.456 -4.544 1.070) 4.890 21.079 ( -0.577 -5.487 1.871) 5.826 28.066 ( 1.285 3.127 0.990) 3.523 28.170 ( -1.832 1.304 0.048) 2.249 28.302 ( 0.309 -3.703 -0.342) 3.732 28.311 ( 0.340 -3.259 0.098) 3.278 37.001 ( 4.549 4.158 -0.107) 6.164 37.074 ( 5.600 1.587 -2.981) 6.540 37.240 ( 2.345 3.943 4.406) 6.361 37.340 ( 4.753 -0.271 4.958) 6.873 38.246 ( -4.417 12.191 -12.506) 18.015 38.466 ( -2.652 7.440 -8.125) 11.331 39.115 ( -13.414 -5.011 3.981) 14.863 39.206 ( -18.083 -2.382 3.814) 18.634 ======================= Grid point 87 (36/80) ======================= q-point: ( 0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 7.426 10.440 0.527) 12.823 1.800 ( -1.100 7.707 -1.167) 7.872 1.985 ( 2.525 4.919 0.120) 5.530 2.047 ( -2.698 2.090 -2.266) 4.097 2.102 ( 4.149 2.100 1.741) 4.965 2.174 ( 6.649 -2.117 -3.304) 7.721 2.258 ( -5.374 2.397 -1.596) 6.097 2.418 ( -10.646 -2.662 -2.645) 11.288 2.755 ( 2.913 8.900 4.781) 10.514 2.810 ( -2.350 6.880 4.516) 8.559 3.227 ( 2.742 -7.265 1.463) 7.902 3.274 ( -1.608 -8.100 1.124) 8.335 4.635 ( 8.576 10.033 0.947) 13.233 4.783 ( -5.342 4.670 -1.543) 7.261 5.144 ( 2.535 -0.744 -4.065) 4.848 5.184 ( -1.417 -2.137 -2.260) 3.418 5.759 ( 10.772 14.186 2.207) 17.949 5.935 ( -5.505 9.144 -0.526) 10.686 6.319 ( 2.839 -9.479 1.497) 10.008 6.360 ( -1.896 -5.697 -2.509) 6.507 6.907 ( -0.726 7.688 -4.607) 8.992 6.937 ( -2.118 7.551 -1.721) 8.029 7.285 ( 2.787 0.166 -7.075) 7.606 7.367 ( -4.289 3.807 -7.175) 9.185 8.160 ( 0.414 27.854 -2.733) 27.991 8.191 ( -2.359 25.198 -4.067) 25.633 8.548 ( 12.031 10.281 16.075) 22.558 8.808 ( -0.403 -0.237 7.902) 7.916 8.849 ( -5.695 3.955 14.731) 16.281 9.027 ( -10.381 -2.904 4.092) 11.531 9.745 ( 12.978 -4.396 3.360) 14.108 9.991 ( -9.963 -3.160 -0.370) 10.458 10.258 ( 13.008 7.627 -1.763) 15.182 10.482 ( -9.559 3.395 -1.838) 10.309 10.601 ( 9.671 9.659 -5.220) 14.631 10.830 ( -9.516 8.286 2.234) 12.814 11.043 ( 3.090 -6.838 -2.006) 7.767 11.157 ( -8.574 -8.156 -1.948) 11.993 11.335 ( 10.076 -10.902 -2.558) 15.064 11.542 ( -5.413 -17.110 -8.744) 19.963 11.799 ( 3.676 6.957 -3.691) 8.691 12.007 ( -12.089 9.473 -7.798) 17.225 12.501 ( 13.093 2.835 6.120) 14.729 12.647 ( 12.397 -7.927 -2.322) 14.896 12.766 ( -10.827 6.373 7.863) 14.821 12.904 ( -11.995 -15.397 -11.988) 22.906 13.249 ( 9.545 -19.812 10.738) 24.473 13.431 ( -7.041 -18.093 7.589) 20.846 13.703 ( 10.757 14.780 1.109) 18.314 13.933 ( -10.611 14.220 -0.522) 17.750 14.808 ( 9.099 -24.537 0.942) 26.187 14.970 ( -6.343 -22.326 -1.038) 23.233 16.664 ( 8.457 12.983 -2.453) 15.687 16.820 ( -6.416 11.396 -3.822) 13.625 17.324 ( 7.781 8.119 -3.149) 11.678 17.489 ( -7.536 0.231 -3.153) 8.172 18.987 ( 2.051 -8.299 0.930) 8.599 18.999 ( 1.255 -9.307 3.191) 9.918 19.096 ( 3.826 -8.389 2.085) 9.453 19.159 ( -2.621 -4.882 0.620) 5.575 19.208 ( 5.003 3.665 -1.864) 6.476 19.309 ( -4.889 4.977 -3.749) 7.920 19.674 ( 0.512 -3.144 3.376) 4.642 19.712 ( -3.085 -4.557 4.615) 7.182 20.427 ( 3.107 7.569 0.493) 8.197 20.475 ( -0.945 3.119 0.163) 3.263 20.538 ( 3.811 0.045 -0.038) 3.811 20.617 ( -3.110 0.481 -1.658) 3.557 20.657 ( -0.951 4.265 -0.790) 4.441 20.700 ( -4.228 4.898 0.297) 6.477 21.049 ( 1.018 -4.792 0.827) 4.968 21.066 ( -0.697 -5.326 1.200) 5.504 28.097 ( 1.629 2.655 0.533) 3.161 28.132 ( -1.788 2.040 0.170) 2.718 28.309 ( 0.329 -3.660 0.126) 3.677 28.314 ( -0.089 -3.637 0.291) 3.650 37.104 ( 4.916 5.797 0.190) 7.603 37.165 ( 0.704 5.258 -0.608) 5.339 37.286 ( 3.987 2.196 -0.866) 4.633 37.375 ( -2.199 0.133 -0.102) 2.206 38.233 ( 4.260 13.114 -2.278) 13.976 38.379 ( -7.026 11.159 1.629) 13.287 38.874 ( -4.500 -6.812 -1.603) 8.320 38.944 ( -9.005 -7.601 -0.020) 11.784 ======================= Grid point 91 (37/80) ======================= q-point: ( 0.00 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.530 ( 0.000 4.932 -0.425) 4.950 1.587 ( 0.000 -1.104 -2.783) 2.994 1.965 ( 0.000 8.070 -0.581) 8.091 2.018 ( 0.000 1.024 0.260) 1.056 2.076 ( 0.000 1.275 -1.776) 2.186 2.123 ( 0.000 -2.619 -4.046) 4.820 2.711 ( 0.000 6.451 4.779) 8.028 2.805 ( 0.000 -3.311 -0.077) 3.312 2.893 ( 0.000 7.085 2.825) 7.628 2.934 ( 0.000 3.952 2.505) 4.679 3.027 ( 0.000 -5.141 1.947) 5.497 3.059 ( 0.000 -9.151 3.955) 9.969 4.771 ( 0.000 22.841 0.042) 22.841 4.883 ( 0.000 3.477 -2.571) 4.325 4.993 ( 0.000 -5.542 -1.955) 5.876 5.113 ( 0.000 -7.430 -4.284) 8.577 5.545 ( 0.000 16.838 -5.548) 17.728 5.854 ( 0.000 -14.400 -8.591) 16.768 6.158 ( 0.000 6.345 -1.707) 6.570 6.347 ( 0.000 -11.316 -8.294) 14.030 6.911 ( 0.000 16.173 16.782) 23.307 7.141 ( 0.000 -1.252 -6.002) 6.132 7.205 ( 0.000 -1.431 1.869) 2.354 7.268 ( 0.000 -15.195 22.019) 26.753 8.528 ( 0.000 -1.821 6.185) 6.447 8.549 ( 0.000 -4.014 5.271) 6.625 8.748 ( 0.000 18.204 1.645) 18.278 8.926 ( 0.000 24.836 -1.356) 24.873 8.969 ( 0.000 8.206 -1.671) 8.375 9.303 ( 0.000 3.955 -20.371) 20.752 9.641 ( 0.000 2.242 -13.016) 13.208 9.892 ( 0.000 -14.654 -6.003) 15.836 10.172 ( 0.000 8.789 7.649) 11.651 10.364 ( 0.000 -3.281 -8.907) 9.492 10.828 ( 0.000 3.459 -10.278) 10.844 10.954 ( 0.000 2.305 4.108) 4.710 10.991 ( 0.000 0.810 3.955) 4.037 11.090 ( 0.000 -17.364 -1.150) 17.402 11.513 ( 0.000 -3.336 10.287) 10.814 11.518 ( 0.000 -3.473 17.463) 17.805 11.745 ( 0.000 2.161 -0.852) 2.323 11.853 ( 0.000 -2.424 -7.162) 7.561 12.195 ( 0.000 6.402 7.140) 9.590 12.416 ( 0.000 -13.780 2.128) 13.943 13.044 ( 0.000 5.643 -10.145) 11.608 13.061 ( 0.000 -0.129 -1.911) 1.915 13.175 ( 0.000 -1.169 1.626) 2.002 13.301 ( 0.000 -5.156 -7.121) 8.792 13.540 ( 0.000 -0.002 3.182) 3.182 13.649 ( 0.000 -7.907 -1.316) 8.016 14.716 ( 0.000 5.842 8.704) 10.483 14.857 ( 0.000 -8.910 5.331) 10.383 16.679 ( 0.000 23.474 1.683) 23.534 17.114 ( 0.000 -13.457 -5.141) 14.406 17.283 ( 0.000 -5.728 1.639) 5.958 17.284 ( 0.000 3.442 -0.354) 3.460 18.612 ( 0.000 -0.098 1.857) 1.859 18.705 ( 0.000 -7.738 0.223) 7.742 19.113 ( 0.000 7.172 -6.450) 9.646 19.216 ( 0.000 -2.981 -3.427) 4.542 19.367 ( 0.000 2.230 6.107) 6.501 19.385 ( 0.000 6.717 -5.366) 8.597 19.639 ( 0.000 -7.088 2.215) 7.426 19.677 ( 0.000 -5.044 -3.513) 6.147 20.444 ( 0.000 0.107 0.376) 0.391 20.448 ( 0.000 -0.283 0.086) 0.296 20.567 ( 0.000 12.133 2.521) 12.392 20.734 ( 0.000 -4.430 -3.332) 5.543 20.848 ( 0.000 0.908 0.809) 1.216 20.861 ( 0.000 -1.959 3.308) 3.845 20.971 ( 0.000 1.701 3.599) 3.981 21.036 ( 0.000 -3.427 2.965) 4.532 28.115 ( 0.000 4.338 0.364) 4.354 28.202 ( 0.000 -4.602 -0.852) 4.680 28.236 ( 0.000 0.995 0.354) 1.056 28.262 ( 0.000 -1.673 -0.087) 1.675 36.936 ( 0.000 1.175 -1.633) 2.012 36.948 ( 0.000 -0.273 -2.462) 2.477 37.171 ( 0.000 0.442 7.740) 7.753 37.177 ( 0.000 -0.147 8.782) 8.783 38.566 ( 0.000 7.445 -19.680) 21.042 38.652 ( 0.000 -0.170 -22.413) 22.413 39.438 ( 0.000 6.988 13.379) 15.094 39.628 ( 0.000 -11.162 7.610) 13.509 ======================= Grid point 92 (38/80) ======================= q-point: ( 0.14 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.989 5.146 -0.541) 7.188 1.645 ( 5.656 -1.123 -2.572) 6.314 1.979 ( 1.330 6.794 -0.112) 6.924 2.017 ( 0.035 1.322 0.356) 1.370 2.079 ( 0.268 1.356 -2.304) 2.687 2.125 ( 0.051 -2.168 -3.638) 4.235 2.656 ( -5.523 4.019 2.463) 7.261 2.729 ( -6.610 -3.391 -0.202) 7.432 2.883 ( -0.059 9.250 3.159) 9.775 2.946 ( 0.500 4.437 3.239) 5.516 3.032 ( 0.556 -5.411 2.223) 5.876 3.085 ( 1.876 -9.253 3.692) 10.137 4.764 ( -0.004 20.701 -0.396) 20.705 4.903 ( 1.543 4.755 -1.850) 5.331 5.007 ( 1.196 -5.646 -2.560) 6.314 5.111 ( -0.303 -9.061 -3.638) 9.769 5.609 ( 5.882 14.828 -4.544) 16.586 5.849 ( 0.413 -10.549 -4.628) 11.527 6.212 ( 3.778 5.962 -0.995) 7.128 6.370 ( 1.701 -9.262 -7.444) 12.003 6.922 ( 1.703 8.812 10.383) 13.724 7.082 ( -3.093 -4.175 -1.528) 5.415 7.233 ( 1.134 0.304 10.641) 10.706 7.344 ( 4.181 -7.305 1.117) 8.490 8.435 ( -5.905 -1.427 7.863) 9.936 8.471 ( -4.144 -4.753 6.207) 8.848 8.796 ( 4.081 23.704 1.271) 24.086 8.940 ( 0.280 36.951 -0.943) 36.964 9.073 ( 8.341 -6.753 -0.339) 10.737 9.330 ( -0.591 -3.023 -12.660) 13.030 9.579 ( -5.743 7.400 -6.830) 11.592 9.911 ( 1.594 -17.042 -7.592) 18.725 10.126 ( -0.674 16.291 1.066) 16.340 10.467 ( 7.719 -10.956 -6.392) 14.848 10.813 ( -1.371 0.894 -10.718) 10.842 10.837 ( -7.884 4.885 6.482) 11.316 10.944 ( -4.750 -3.052 -2.043) 6.004 11.104 ( -0.785 -15.338 -1.785) 15.461 11.427 ( -5.200 2.635 10.399) 11.921 11.538 ( -2.466 -8.875 14.389) 17.085 11.796 ( 5.101 5.340 -2.154) 7.692 11.900 ( 5.423 -2.256 -4.818) 7.597 12.247 ( 4.967 6.166 10.236) 12.940 12.461 ( 4.481 -12.940 4.853) 14.528 12.890 ( -10.680 5.935 -9.054) 15.208 13.021 ( -6.847 -8.328 -5.449) 12.080 13.150 ( -1.136 5.339 0.520) 5.483 13.324 ( -0.164 -10.887 -5.793) 12.333 13.585 ( 6.481 9.698 3.359) 12.138 13.793 ( 11.128 -11.129 -1.589) 15.818 14.660 ( -5.253 6.783 8.722) 12.234 14.831 ( -2.674 -10.777 4.564) 12.005 16.723 ( 4.142 22.704 0.993) 23.100 17.132 ( 1.399 -8.367 -5.611) 10.171 17.237 ( -1.727 -0.810 -0.102) 1.910 17.324 ( 1.556 -5.960 -0.134) 6.161 18.657 ( 4.129 -0.198 2.205) 4.685 18.746 ( 3.734 -7.374 0.553) 8.284 19.099 ( -1.387 5.456 -4.961) 7.504 19.189 ( -2.383 -3.540 -3.453) 5.489 19.302 ( -2.809 9.855 3.404) 10.798 19.439 ( 1.901 -0.395 -1.772) 2.628 19.631 ( -0.729 -5.943 2.053) 6.330 19.665 ( -1.298 -5.011 -2.865) 5.917 20.447 ( 0.345 0.229 0.236) 0.476 20.453 ( 0.591 -0.268 0.229) 0.688 20.568 ( 0.144 11.032 1.768) 11.173 20.712 ( -1.921 -3.761 -3.091) 5.234 20.818 ( -1.688 2.904 1.317) 3.608 20.893 ( 1.660 -4.161 2.227) 5.003 20.953 ( -1.763 2.591 3.082) 4.395 21.021 ( -1.275 -3.530 2.804) 4.685 28.120 ( 0.547 4.258 0.338) 4.307 28.204 ( 0.131 -3.716 -0.873) 3.820 28.230 ( -0.512 0.545 0.458) 0.876 28.261 ( -0.177 -2.017 -0.018) 2.025 36.970 ( 3.289 1.485 -1.667) 3.975 36.985 ( 3.528 -0.174 -2.618) 4.397 37.210 ( 3.605 0.964 7.721) 8.575 37.225 ( 4.249 -0.649 7.772) 8.881 38.526 ( -3.649 7.614 -18.520) 20.354 38.614 ( -3.388 -0.330 -20.629) 20.907 39.332 ( -9.839 5.077 12.478) 16.682 39.481 ( -13.459 -8.762 7.874) 17.886 ======================= Grid point 93 (39/80) ======================= q-point: ( 0.29 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 7.885 6.607 -0.832) 10.321 1.801 ( 8.440 -1.342 -2.841) 9.006 2.008 ( 0.828 2.696 0.557) 2.875 2.027 ( 1.397 1.964 1.223) 2.702 2.088 ( 0.775 1.508 -3.631) 4.008 2.123 ( -0.040 -0.647 -2.088) 2.186 2.497 ( -9.290 2.879 0.285) 9.730 2.561 ( -9.341 -3.575 -0.734) 10.029 2.896 ( 1.200 9.536 3.229) 10.139 2.951 ( 0.075 5.806 3.574) 6.819 3.051 ( 1.273 -6.127 2.388) 6.698 3.113 ( 0.592 -9.289 2.924) 9.756 4.791 ( 2.671 17.071 -0.899) 17.302 4.929 ( 0.599 6.325 -1.393) 6.504 5.037 ( 1.606 -6.538 -3.416) 7.550 5.101 ( -0.612 -9.341 -2.912) 9.803 5.766 ( 8.907 9.383 -0.329) 12.941 5.897 ( 4.536 -5.831 0.337) 7.395 6.261 ( 0.220 4.828 1.938) 5.207 6.370 ( -2.971 -5.388 -1.210) 6.270 6.971 ( 2.183 3.096 -0.511) 3.823 7.075 ( 3.121 -4.635 -3.654) 6.676 7.202 ( -3.549 6.723 -1.351) 7.722 7.375 ( -1.700 -7.742 -6.094) 9.999 8.379 ( 1.969 3.837 11.452) 12.237 8.488 ( 5.658 -5.992 10.291) 13.184 8.863 ( -1.176 31.424 -0.867) 31.458 8.950 ( 3.154 27.232 2.430) 27.522 9.190 ( -8.892 -4.286 -1.566) 9.995 9.251 ( 3.265 -2.439 -2.308) 4.683 9.445 ( -3.708 8.556 4.898) 10.533 9.916 ( -2.637 -23.298 -5.234) 24.024 10.230 ( 10.036 19.901 -4.861) 22.812 10.612 ( 3.691 -8.269 -3.444) 9.688 10.683 ( -6.018 1.230 2.283) 6.553 10.775 ( -2.754 -9.865 -5.642) 11.693 10.878 ( 1.828 -0.414 -7.105) 7.348 11.048 ( -3.553 -13.014 -4.763) 14.306 11.300 ( -7.351 4.798 8.948) 12.535 11.436 ( -6.631 -7.865 7.538) 12.754 11.890 ( 4.296 9.981 -6.208) 12.515 12.084 ( 10.749 -6.934 -4.891) 13.695 12.383 ( 5.670 8.290 9.989) 14.165 12.564 ( 0.917 1.930 0.213) 2.147 12.708 ( 0.284 -8.156 5.633) 9.916 12.819 ( -11.358 -13.014 -10.328) 20.125 13.103 ( -4.143 7.479 3.369) 9.190 13.284 ( -3.861 -10.990 -0.024) 11.649 13.773 ( 10.812 14.523 1.368) 18.157 14.047 ( 12.517 -12.174 -3.285) 17.767 14.512 ( -8.734 7.058 8.109) 13.851 14.739 ( -6.360 -14.713 2.837) 16.278 16.835 ( 6.347 20.648 -1.137) 21.632 17.137 ( -1.492 8.539 -4.823) 9.920 17.239 ( 2.098 -11.180 -3.483) 11.896 17.347 ( 0.564 -10.330 -1.763) 10.494 18.764 ( 5.748 -0.393 2.993) 6.493 18.843 ( 5.336 -6.594 1.324) 8.585 19.050 ( -3.283 3.767 -0.181) 5.000 19.132 ( -3.114 -4.372 -1.076) 5.474 19.279 ( 0.914 11.243 1.222) 11.346 19.453 ( -0.365 -1.197 -1.900) 2.275 19.602 ( -2.442 -6.643 2.112) 7.386 19.624 ( -2.322 -4.107 -1.677) 5.007 20.466 ( 1.543 0.455 0.270) 1.631 20.475 ( 1.699 -0.460 0.200) 1.771 20.569 ( -0.200 7.927 0.329) 7.936 20.663 ( -2.723 -2.614 -2.392) 4.469 20.786 ( -1.115 6.090 1.077) 6.284 20.900 ( -3.002 3.677 1.510) 4.981 20.923 ( 1.081 -5.121 1.805) 5.536 20.991 ( -1.441 -4.329 2.148) 5.043 28.136 ( 0.950 4.016 0.272) 4.136 28.200 ( -0.657 0.951 -0.501) 1.260 28.224 ( 0.176 -3.138 0.319) 3.159 28.255 ( -0.394 -2.748 0.095) 2.778 37.066 ( 5.917 2.396 -1.643) 6.592 37.090 ( 6.490 -0.061 -2.934) 7.123 37.293 ( 3.405 1.887 5.616) 6.833 37.323 ( 4.247 -1.339 5.512) 7.086 38.445 ( -3.017 8.375 -13.860) 16.473 38.543 ( -2.469 -0.676 -14.663) 14.884 39.064 ( -15.334 0.984 9.408) 18.017 39.134 ( -18.333 -4.772 7.196) 20.264 ======================= Grid point 94 (40/80) ======================= q-point: ( 0.43 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 6.309 7.373 -1.333) 9.795 1.930 ( 2.403 4.497 -2.873) 5.853 2.017 ( 0.681 -1.556 -1.303) 2.141 2.041 ( -0.857 -2.026 -0.966) 2.403 2.146 ( 4.313 1.930 -1.693) 5.019 2.163 ( 6.323 0.513 1.000) 6.422 2.301 ( -8.873 2.403 -0.247) 9.196 2.358 ( -9.945 -3.342 -0.345) 10.497 2.925 ( 1.396 8.566 3.064) 9.204 2.947 ( -0.641 7.403 3.386) 8.166 3.081 ( 1.513 -7.661 2.003) 8.062 3.108 ( -0.974 -8.802 2.119) 9.105 4.860 ( 3.566 12.570 -1.588) 13.162 4.918 ( -1.758 8.667 -1.708) 9.007 5.068 ( 1.264 -7.303 -3.249) 8.093 5.088 ( -0.721 -8.103 -2.837) 8.615 5.959 ( 9.378 6.630 4.778) 12.439 6.025 ( 6.376 0.235 1.855) 6.645 6.197 ( -5.619 -1.616 6.835) 8.995 6.247 ( -7.553 -5.270 2.757) 9.614 7.026 ( 3.749 7.206 -7.682) 11.180 7.113 ( -4.042 9.920 -7.923) 13.323 7.185 ( 5.597 -8.152 -8.403) 12.977 7.298 ( -5.000 -8.296 -8.637) 12.978 8.505 ( 9.193 10.309 10.614) 17.420 8.664 ( 8.973 -2.628 7.785) 12.167 8.726 ( -8.163 14.188 5.554) 17.285 8.925 ( -12.568 -4.614 3.972) 13.965 9.080 ( 5.889 29.453 3.326) 30.220 9.200 ( -5.411 31.146 2.126) 31.684 9.567 ( 10.918 -15.769 1.702) 19.255 9.787 ( -9.378 -20.863 -1.808) 22.945 10.428 ( 6.896 11.360 0.037) 13.289 10.541 ( -5.572 4.989 -1.127) 7.563 10.683 ( 3.758 -7.249 -2.066) 8.422 10.740 ( -1.042 -17.030 -1.449) 17.123 10.954 ( 2.428 0.835 -2.863) 3.846 11.046 ( 0.602 0.793 -1.765) 2.027 11.145 ( -2.134 -2.803 -3.368) 4.873 11.283 ( -8.198 -9.941 0.803) 12.910 12.016 ( 8.735 13.998 -7.732) 18.222 12.239 ( -10.222 13.311 -8.924) 19.008 12.316 ( 8.674 -14.735 -9.924) 19.770 12.553 ( -12.496 -17.225 -11.964) 24.413 12.715 ( 12.507 9.268 12.051) 19.686 12.904 ( 6.683 -3.962 10.273) 12.880 12.977 ( -3.955 0.583 11.213) 11.904 13.154 ( -8.879 -11.554 7.230) 16.267 14.008 ( 11.607 16.546 0.998) 20.235 14.208 ( -3.653 11.679 -1.368) 12.313 14.393 ( 4.093 -15.749 3.645) 16.676 14.574 ( -9.386 -18.530 0.890) 20.791 16.968 ( 6.195 17.851 -3.646) 19.244 17.077 ( -4.205 14.530 -4.698) 15.839 17.297 ( 2.862 -12.173 -4.685) 13.353 17.341 ( -1.243 -12.062 -3.570) 12.640 18.876 ( 4.925 0.536 3.568) 6.105 18.944 ( 2.289 -2.129 2.177) 3.809 18.983 ( -1.148 -1.256 3.208) 3.631 19.057 ( -4.183 -5.382 1.534) 6.987 19.338 ( 4.352 8.995 -1.186) 10.063 19.424 ( -2.973 6.088 -2.560) 7.243 19.551 ( -1.000 -9.816 1.807) 10.031 19.575 ( -2.399 -6.616 0.206) 7.040 20.507 ( 2.288 1.205 0.098) 2.588 20.526 ( 3.120 -0.685 -0.115) 3.196 20.552 ( -1.540 3.475 -0.157) 3.804 20.599 ( -3.462 -1.785 -1.003) 4.023 20.786 ( 1.264 8.753 0.636) 8.867 20.834 ( -3.089 7.600 0.700) 8.234 20.944 ( 0.959 -6.710 0.989) 6.850 20.965 ( -1.104 -5.769 1.207) 5.996 28.158 ( 1.125 3.608 0.173) 3.783 28.181 ( -1.085 2.956 -0.010) 3.149 28.233 ( 0.564 -3.999 0.110) 4.040 28.245 ( -0.542 -3.487 0.133) 3.531 37.199 ( 6.295 3.799 -1.053) 7.428 37.233 ( 6.179 0.980 -2.290) 6.662 37.313 ( -1.382 1.537 1.284) 2.434 37.354 ( -1.972 -2.055 0.740) 2.943 38.457 ( 5.045 9.801 -4.034) 11.738 38.545 ( 1.627 3.833 -3.732) 5.592 38.750 ( -11.662 -3.709 2.705) 12.532 38.806 ( -12.489 -6.579 2.594) 14.352 ======================= Grid point 126 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 0.000 19.257) 19.257 1.293 ( 0.000 0.000 24.482) 24.482 1.538 ( 0.000 0.000 4.845) 4.845 1.863 ( 0.000 0.000 22.472) 22.472 1.923 ( 0.000 0.000 1.959) 1.959 2.043 ( 0.000 0.000 -8.024) 8.024 2.176 ( 0.000 0.000 -4.671) 4.671 2.490 ( 0.000 0.000 -5.651) 5.651 2.768 ( 0.000 0.000 1.175) 1.175 2.938 ( 0.000 0.000 -4.704) 4.704 3.354 ( 0.000 0.000 5.044) 5.044 3.465 ( 0.000 0.000 -1.408) 1.408 3.684 ( 0.000 0.000 27.540) 27.540 3.899 ( 0.000 0.000 21.658) 21.658 4.900 ( 0.000 0.000 -18.708) 18.708 4.960 ( 0.000 0.000 -27.237) 27.237 5.266 ( 0.000 0.000 7.014) 7.014 5.652 ( 0.000 0.000 1.600) 1.600 5.805 ( 0.000 0.000 -16.292) 16.292 5.923 ( 0.000 0.000 -7.865) 7.865 6.643 ( 0.000 0.000 24.001) 24.001 6.762 ( 0.000 0.000 4.982) 4.982 6.843 ( 0.000 0.000 3.350) 3.350 7.567 ( 0.000 0.000 5.799) 5.799 7.889 ( 0.000 0.000 -24.386) 24.386 8.077 ( 0.000 0.000 -19.703) 19.703 8.727 ( 0.000 0.000 7.624) 7.624 8.867 ( 0.000 0.000 3.128) 3.128 8.901 ( 0.000 0.000 2.333) 2.333 9.344 ( 0.000 0.000 -9.024) 9.024 9.495 ( 0.000 0.000 -3.054) 3.054 9.617 ( 0.000 0.000 0.155) 0.155 9.929 ( 0.000 0.000 3.548) 3.548 9.954 ( 0.000 0.000 7.403) 7.403 10.209 ( 0.000 0.000 0.342) 0.342 10.436 ( 0.000 0.000 -11.205) 11.205 10.725 ( 0.000 0.000 6.715) 6.715 10.953 ( 0.000 0.000 -1.300) 1.300 11.567 ( 0.000 0.000 10.910) 10.910 12.068 ( 0.000 0.000 -2.331) 2.331 12.134 ( 0.000 0.000 29.620) 29.620 12.221 ( 0.000 0.000 9.905) 9.905 12.346 ( 0.000 0.000 -8.442) 8.442 12.570 ( 0.000 0.000 -9.641) 9.641 12.681 ( 0.000 0.000 -4.066) 4.066 12.976 ( 0.000 0.000 7.597) 7.597 13.570 ( 0.000 0.000 -7.038) 7.038 13.791 ( 0.000 0.000 -24.223) 24.223 14.619 ( 0.000 0.000 0.771) 0.771 14.798 ( 0.000 0.000 -2.991) 2.991 15.441 ( 0.000 0.000 19.544) 19.544 16.099 ( 0.000 0.000 1.727) 1.727 16.113 ( 0.000 0.000 16.138) 16.138 16.650 ( 0.000 0.000 -7.559) 7.559 16.797 ( 0.000 0.000 -4.916) 4.916 16.959 ( 0.000 0.000 -22.018) 22.018 18.963 ( 0.000 0.000 1.250) 1.250 18.971 ( 0.000 0.000 9.432) 9.432 19.087 ( 0.000 0.000 -4.141) 4.141 19.303 ( 0.000 0.000 2.799) 2.799 19.386 ( 0.000 0.000 -8.577) 8.577 19.389 ( 0.000 0.000 -0.730) 0.730 19.535 ( 0.000 0.000 13.172) 13.172 19.962 ( 0.000 0.000 -7.264) 7.264 20.370 ( 0.000 0.000 0.033) 0.033 20.398 ( 0.000 0.000 -0.842) 0.842 20.484 ( 0.000 0.000 3.491) 3.491 20.512 ( 0.000 0.000 2.494) 2.494 20.605 ( 0.000 0.000 -2.096) 2.096 20.681 ( 0.000 0.000 -6.489) 6.489 21.455 ( 0.000 0.000 7.678) 7.678 21.695 ( 0.000 0.000 -4.146) 4.146 28.034 ( 0.000 0.000 6.100) 6.100 28.286 ( 0.000 0.000 2.696) 2.696 28.316 ( 0.000 0.000 -5.931) 5.931 28.370 ( 0.000 0.000 -1.367) 1.367 36.812 ( 0.000 0.000 1.588) 1.588 36.896 ( 0.000 0.000 -2.102) 2.102 36.990 ( 0.000 0.000 1.357) 1.357 37.047 ( 0.000 0.000 -1.138) 1.138 37.368 ( 0.000 0.000 12.626) 12.626 37.916 ( 0.000 0.000 -11.551) 11.551 39.511 ( 0.000 0.000 1.838) 1.838 39.606 ( 0.000 0.000 -2.315) 2.315 ======================= Grid point 127 (42/80) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -16.808 0.000 29.429) 33.890 1.362 ( 6.189 0.000 21.070) 21.961 1.624 ( 6.571 0.000 -5.633) 8.655 1.910 ( -1.268 0.000 2.238) 2.572 1.972 ( 8.883 0.000 20.465) 22.310 2.052 ( 0.854 0.000 -7.594) 7.642 2.172 ( -0.435 0.000 -4.680) 4.700 2.427 ( -6.990 0.000 -5.990) 9.206 2.712 ( -4.326 0.000 0.614) 4.370 2.886 ( -4.700 0.000 -4.430) 6.458 3.388 ( 3.248 0.000 5.200) 6.131 3.517 ( 3.746 0.000 -1.770) 4.143 3.760 ( 7.226 0.000 25.736) 26.731 4.066 ( 13.496 0.000 11.190) 17.531 4.917 ( 0.971 0.000 -20.450) 20.473 4.924 ( -3.626 0.000 -24.236) 24.506 5.289 ( 2.344 0.000 7.396) 7.758 5.673 ( 1.935 0.000 1.919) 2.725 5.772 ( -2.961 0.000 -12.982) 13.315 5.927 ( 0.205 0.000 -7.425) 7.428 6.676 ( -5.917 0.000 5.879) 8.341 6.721 ( 6.499 0.000 20.413) 21.422 6.862 ( -0.126 0.000 -0.313) 0.337 7.573 ( 0.665 0.000 5.485) 5.525 7.752 ( -11.971 0.000 -22.806) 25.757 7.998 ( -6.581 0.000 -15.207) 16.570 8.772 ( 5.774 0.000 14.733) 15.824 8.900 ( 3.575 0.000 3.957) 5.333 8.989 ( 6.809 0.000 -0.504) 6.828 9.427 ( 4.661 0.000 -6.560) 8.047 9.537 ( 6.277 0.000 5.465) 8.323 9.781 ( 12.579 0.000 -4.847) 13.480 9.869 ( -3.360 0.000 6.011) 6.887 9.984 ( 0.635 0.000 2.458) 2.539 10.184 ( -2.166 0.000 -1.809) 2.822 10.442 ( 1.943 0.000 -14.699) 14.827 10.758 ( 3.133 0.000 6.852) 7.534 10.986 ( 3.035 0.000 -2.000) 3.635 11.514 ( -4.439 0.000 9.820) 10.777 11.769 ( -19.871 0.000 19.872) 28.103 12.033 ( -5.431 0.000 -9.897) 11.290 12.316 ( 1.222 0.000 1.435) 1.885 12.456 ( 0.570 0.000 1.402) 1.514 12.650 ( 5.032 0.000 -7.736) 9.229 12.733 ( 9.950 0.000 0.026) 9.950 12.999 ( 2.925 0.000 8.644) 9.125 13.479 ( -8.700 0.000 -2.184) 8.970 13.768 ( -3.732 0.000 -17.949) 18.333 14.377 ( -12.182 0.000 7.573) 14.344 14.801 ( -4.697 0.000 -9.740) 10.813 15.598 ( 12.051 0.000 12.204) 17.151 16.104 ( 0.037 0.000 -1.613) 1.614 16.121 ( 0.910 0.000 13.505) 13.536 16.480 ( -9.731 0.000 1.381) 9.829 16.818 ( -2.220 0.000 -8.955) 9.226 16.887 ( -6.694 0.000 -20.782) 21.833 18.981 ( 2.382 0.000 1.732) 2.945 19.004 ( 3.045 0.000 9.565) 10.038 19.096 ( 0.979 0.000 -3.608) 3.738 19.353 ( 3.275 0.000 1.869) 3.771 19.363 ( -1.714 0.000 -1.815) 2.496 19.409 ( 1.552 0.000 -0.098) 1.555 19.601 ( 5.666 0.000 6.168) 8.375 19.970 ( 0.780 0.000 -7.329) 7.370 20.330 ( -2.295 0.000 2.548) 3.429 20.410 ( -0.021 0.000 -2.017) 2.017 20.464 ( -1.843 0.000 3.435) 3.898 20.512 ( 0.238 0.000 2.674) 2.685 20.579 ( -2.420 0.000 -1.952) 3.110 20.679 ( -0.306 0.000 -5.600) 5.609 21.429 ( -1.465 0.000 8.722) 8.845 21.702 ( -0.307 0.000 -5.193) 5.202 28.046 ( 0.892 0.000 4.841) 4.922 28.219 ( -3.523 0.000 -0.990) 3.659 28.381 ( 3.277 0.000 -1.138) 3.469 28.387 ( 1.604 0.000 -0.931) 1.855 36.820 ( 0.728 0.000 1.612) 1.769 36.904 ( 0.735 0.000 -2.081) 2.207 36.980 ( -0.947 0.000 1.415) 1.702 37.041 ( -0.646 0.000 -1.233) 1.392 37.444 ( 7.093 0.000 12.680) 14.529 37.994 ( 6.415 0.000 -11.628) 13.280 39.354 ( -12.950 0.000 5.311) 13.997 39.530 ( -7.056 0.000 -3.459) 7.858 ======================= Grid point 128 (43/80) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 2.938 0.000 21.343) 21.544 1.517 ( 8.115 0.000 14.387) 16.518 1.758 ( 2.960 0.000 -16.473) 16.736 1.869 ( -2.793 0.000 3.214) 4.258 2.060 ( -3.299 0.000 10.325) 10.840 2.076 ( 1.401 0.000 -6.613) 6.759 2.158 ( -0.883 0.000 -4.757) 4.838 2.322 ( 2.874 0.000 0.639) 2.944 2.591 ( -7.938 0.000 0.547) 7.957 2.767 ( -6.448 0.000 -3.105) 7.157 3.473 ( 4.561 0.000 5.113) 6.852 3.585 ( 2.348 0.000 -0.683) 2.445 3.972 ( 12.971 0.000 20.049) 23.879 4.357 ( 13.779 0.000 -1.902) 13.910 4.802 ( -8.477 0.000 -15.459) 17.630 4.909 ( -2.322 0.000 -21.137) 21.264 5.364 ( 4.741 0.000 5.946) 7.604 5.693 ( -4.546 0.000 -7.710) 8.951 5.726 ( 3.063 0.000 2.609) 4.023 5.920 ( -1.243 0.000 -4.400) 4.573 6.578 ( -2.533 0.000 1.792) 3.103 6.817 ( -4.210 0.000 -5.106) 6.618 6.868 ( 7.341 0.000 13.440) 15.315 7.470 ( -13.956 0.000 -14.852) 20.381 7.597 ( 1.725 0.000 4.454) 4.776 7.852 ( -6.894 0.000 -7.734) 10.360 8.975 ( 13.068 0.000 21.616) 25.259 9.000 ( 5.666 0.000 4.426) 7.189 9.124 ( 5.211 0.000 -1.424) 5.403 9.499 ( 2.914 0.000 2.420) 3.788 9.768 ( 14.388 0.000 10.456) 17.786 9.817 ( -1.235 0.000 3.905) 4.096 9.898 ( -3.117 0.000 3.142) 4.426 9.966 ( -2.267 0.000 -1.178) 2.555 10.134 ( -2.488 0.000 -6.676) 7.125 10.665 ( 21.534 0.000 -25.383) 33.287 10.847 ( 5.294 0.000 6.350) 8.268 11.060 ( 3.269 0.000 -3.210) 4.582 11.332 ( -22.938 0.000 17.323) 28.745 11.426 ( -2.884 0.000 7.217) 7.772 11.853 ( -10.604 0.000 -13.022) 16.793 12.274 ( -16.302 0.000 -21.869) 27.277 12.417 ( 7.117 0.000 8.417) 11.022 12.718 ( 0.995 0.000 -2.080) 2.306 12.925 ( 6.038 0.000 6.847) 9.129 13.092 ( 3.055 0.000 9.487) 9.967 13.300 ( -4.509 0.000 0.149) 4.511 13.648 ( -6.581 0.000 -6.795) 9.460 14.233 ( -2.698 0.000 5.458) 6.088 14.662 ( -7.065 0.000 -10.071) 12.302 15.834 ( 9.892 0.000 3.312) 10.431 16.085 ( -1.766 0.000 -5.304) 5.590 16.165 ( 3.769 0.000 6.423) 7.448 16.362 ( -1.532 0.000 4.377) 4.638 16.703 ( -7.808 0.000 -9.430) 12.243 16.704 ( -10.545 0.000 -17.115) 20.103 19.060 ( 4.610 0.000 1.453) 4.834 19.086 ( 4.636 0.000 9.572) 10.635 19.133 ( 2.638 0.000 -2.155) 3.406 19.322 ( -2.350 0.000 4.046) 4.679 19.385 ( -0.097 0.000 2.518) 2.520 19.440 ( 0.878 0.000 -0.333) 0.939 19.742 ( 7.497 0.000 -0.148) 7.498 19.988 ( 0.628 0.000 -7.345) 7.372 20.299 ( -0.486 0.000 3.256) 3.292 20.391 ( -1.668 0.000 -1.909) 2.534 20.417 ( -2.342 0.000 3.165) 3.938 20.511 ( -3.974 0.000 -1.396) 4.212 20.530 ( 1.562 0.000 2.634) 3.062 20.662 ( -1.426 0.000 -3.246) 3.546 21.424 ( 1.195 0.000 7.818) 7.908 21.661 ( -3.545 0.000 -3.653) 5.090 28.063 ( 0.808 0.000 2.937) 3.046 28.155 ( -2.664 0.000 -0.780) 2.776 28.422 ( 1.783 0.000 0.935) 2.014 28.439 ( 1.981 0.000 -0.089) 1.983 36.842 ( 1.359 0.000 1.660) 2.146 36.924 ( 1.074 0.000 -1.816) 2.110 36.954 ( -1.378 0.000 1.341) 1.923 37.021 ( -1.218 0.000 -1.452) 1.895 37.641 ( 11.520 0.000 12.356) 16.893 38.116 ( 3.753 0.000 -6.842) 7.804 39.089 ( -10.410 0.000 4.539) 11.357 39.340 ( -10.731 0.000 -5.772) 12.185 ======================= Grid point 129 (44/80) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 22.205 0.000 -5.298) 22.828 1.525 ( -21.330 0.000 -16.972) 27.259 1.674 ( 6.837 0.000 8.789) 11.136 1.793 ( -4.707 0.000 5.227) 7.034 2.106 ( 1.523 0.000 -5.649) 5.851 2.136 ( -1.293 0.000 -5.031) 5.194 2.149 ( 10.797 0.000 4.758) 11.799 2.385 ( -10.695 0.000 -1.176) 10.760 2.466 ( 7.382 0.000 2.825) 7.904 2.624 ( -7.433 0.000 -1.265) 7.540 3.558 ( 3.428 0.000 3.656) 5.012 3.603 ( -0.694 0.000 1.369) 1.534 4.271 ( 15.389 0.000 10.278) 18.506 4.574 ( -13.428 0.000 -2.616) 13.681 4.617 ( 11.300 0.000 -10.679) 15.548 4.811 ( -7.226 0.000 -17.372) 18.815 5.473 ( 5.602 0.000 1.894) 5.914 5.588 ( -5.515 0.000 -2.832) 6.200 5.795 ( 3.614 0.000 2.570) 4.435 5.870 ( -3.378 0.000 0.440) 3.406 6.593 ( 3.761 0.000 -5.325) 6.519 6.704 ( -6.178 0.000 -7.687) 9.862 7.023 ( 8.025 0.000 5.024) 9.468 7.213 ( -10.741 0.000 -4.548) 11.664 7.647 ( 3.146 0.000 2.292) 3.893 7.729 ( -4.952 0.000 -1.634) 5.215 9.113 ( 4.768 0.000 3.930) 6.179 9.174 ( -0.579 0.000 1.514) 1.621 9.266 ( 14.205 0.000 21.886) 26.092 9.498 ( -5.884 0.000 16.775) 17.777 9.812 ( -0.535 0.000 -3.500) 3.541 9.830 ( 2.442 0.000 -0.342) 2.466 9.889 ( -4.552 0.000 0.696) 4.605 9.900 ( -3.795 0.000 -2.440) 4.512 10.308 ( 21.829 0.000 7.608) 23.117 10.822 ( -25.822 0.000 16.904) 30.863 10.965 ( 5.779 0.000 4.575) 7.371 11.065 ( -3.178 0.000 0.723) 3.259 11.215 ( 29.030 0.000 -27.164) 39.757 11.454 ( 6.006 0.000 -1.317) 6.149 11.632 ( -10.312 0.000 -9.183) 13.808 11.808 ( -27.388 0.000 -25.850) 37.660 12.569 ( 7.022 0.000 8.329) 10.894 12.686 ( -3.932 0.000 4.316) 5.839 13.034 ( 6.094 0.000 6.362) 8.810 13.144 ( -0.621 0.000 1.934) 2.031 13.267 ( 3.467 0.000 -1.018) 3.614 13.467 ( -11.514 0.000 -5.264) 12.660 14.302 ( 8.974 0.000 4.913) 10.231 14.505 ( -9.046 0.000 -3.094) 9.560 15.988 ( 4.877 0.000 -0.851) 4.951 16.049 ( -1.769 0.000 -3.054) 3.530 16.284 ( 7.838 0.000 -2.684) 8.285 16.395 ( 4.521 0.000 -2.885) 5.363 16.479 ( -10.704 0.000 -11.010) 15.356 16.532 ( -8.150 0.000 -8.208) 11.567 19.145 ( 3.396 0.000 1.448) 3.692 19.180 ( 0.690 0.000 -0.032) 0.691 19.182 ( 4.470 0.000 8.865) 9.928 19.264 ( -3.389 0.000 7.154) 7.916 19.384 ( 0.989 0.000 1.722) 1.985 19.426 ( -2.085 0.000 -0.225) 2.097 19.888 ( 6.179 0.000 -3.813) 7.260 19.977 ( -2.225 0.000 -6.378) 6.755 20.310 ( 1.427 0.000 1.471) 2.049 20.349 ( -2.186 0.000 -0.658) 2.283 20.389 ( 0.153 0.000 2.002) 2.008 20.430 ( -3.455 0.000 -0.063) 3.455 20.573 ( 2.427 0.000 1.538) 2.874 20.623 ( -2.277 0.000 -0.587) 2.352 21.477 ( 3.819 0.000 4.668) 6.031 21.570 ( -4.885 0.000 0.352) 4.898 28.082 ( 1.061 0.000 1.405) 1.761 28.110 ( -1.756 0.000 0.150) 1.762 28.453 ( 1.078 0.000 1.450) 1.807 28.462 ( 0.293 0.000 1.031) 1.072 36.875 ( 1.779 0.000 1.670) 2.440 36.912 ( -1.794 0.000 1.483) 2.327 36.959 ( 1.512 0.000 -1.725) 2.294 36.992 ( -1.569 0.000 -1.678) 2.298 37.891 ( 12.010 0.000 10.510) 15.959 38.093 ( -6.338 0.000 4.137) 7.569 38.994 ( 1.631 0.000 -3.627) 3.977 39.122 ( -9.506 0.000 -7.069) 11.847 ======================= Grid point 133 (45/80) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.230 ( 0.000 5.119 15.920) 16.723 1.259 ( 0.000 1.450 21.252) 21.301 1.605 ( 0.000 2.526 -0.720) 2.627 1.954 ( 0.000 2.622 3.755) 4.580 1.971 ( 0.000 8.262 15.509) 17.573 2.004 ( 0.000 -2.679 -10.669) 11.000 2.284 ( 0.000 10.706 1.761) 10.850 2.559 ( 0.000 6.084 -3.280) 6.912 2.770 ( 0.000 0.143 1.078) 1.088 2.939 ( 0.000 0.118 -4.353) 4.354 3.312 ( 0.000 -3.156 4.615) 5.591 3.426 ( 0.000 -3.548 -1.583) 3.885 3.940 ( 0.000 23.957 24.943) 34.585 3.962 ( 0.000 6.554 20.270) 21.303 4.870 ( 0.000 -2.979 -16.913) 17.173 5.065 ( 0.000 7.199 -20.568) 21.791 5.262 ( 0.000 0.133 7.344) 7.345 5.606 ( 0.000 0.694 -9.627) 9.652 6.029 ( 0.000 18.086 -10.475) 20.900 6.041 ( 0.000 10.710 -7.176) 12.892 6.511 ( 0.000 -7.453 26.146) 27.188 6.849 ( 0.000 7.702 2.881) 8.223 6.882 ( 0.000 4.665 2.987) 5.539 7.685 ( 0.000 -13.993 -20.330) 24.680 7.719 ( 0.000 10.173 1.406) 10.270 8.152 ( 0.000 0.452 -15.047) 15.054 8.679 ( 0.000 -1.919 5.041) 5.394 8.862 ( 0.000 -3.088 1.923) 3.638 8.887 ( 0.000 1.284 -0.196) 1.298 9.274 ( 0.000 -6.643 -8.089) 10.467 9.575 ( 0.000 7.732 -5.140) 9.285 9.670 ( 0.000 3.896 -1.033) 4.031 9.788 ( 0.000 -9.984 2.591) 10.314 9.958 ( 0.000 -0.249 2.748) 2.759 10.371 ( 0.000 12.924 0.619) 12.939 10.438 ( 0.000 2.831 -3.964) 4.871 10.847 ( 0.000 11.229 6.038) 12.749 11.075 ( 0.000 10.314 0.091) 10.315 11.617 ( 0.000 3.483 8.757) 9.425 12.030 ( 0.000 -2.983 2.754) 4.060 12.153 ( 0.000 0.449 25.103) 25.107 12.260 ( 0.000 3.379 7.416) 8.150 12.378 ( 0.000 2.820 -8.532) 8.986 12.576 ( 0.000 1.766 -8.949) 9.122 12.630 ( 0.000 -4.868 -3.857) 6.211 13.019 ( 0.000 3.611 3.495) 5.026 13.577 ( 0.000 0.743 -7.769) 7.805 13.737 ( 0.000 -5.208 -21.949) 22.559 14.343 ( 0.000 -26.786 4.722) 27.199 14.624 ( 0.000 -20.506 -5.968) 21.357 15.213 ( 0.000 -15.890 21.929) 27.081 15.983 ( 0.000 -14.101 -8.779) 16.610 16.224 ( 0.000 -5.011 17.594) 18.294 16.444 ( 0.000 5.125 11.772) 12.839 16.795 ( 0.000 0.339 -6.626) 6.635 17.158 ( 0.000 16.481 -22.147) 27.606 18.933 ( 0.000 -1.905 1.150) 2.225 18.956 ( 0.000 -1.326 5.699) 5.851 19.097 ( 0.000 -0.972 0.128) 0.980 19.284 ( 0.000 -0.281 3.235) 3.248 19.326 ( 0.000 -3.441 -2.415) 4.204 19.463 ( 0.000 2.030 -6.560) 6.867 19.693 ( 0.000 14.388 13.638) 19.825 20.116 ( 0.000 -16.905 8.866) 19.089 20.210 ( 0.000 17.979 -11.701) 21.451 20.384 ( 0.000 -3.125 -3.436) 4.645 20.447 ( 0.000 -0.141 -0.017) 0.142 20.481 ( 0.000 -7.473 -2.886) 8.011 20.658 ( 0.000 6.845 0.987) 6.916 20.728 ( 0.000 2.116 -3.107) 3.759 21.374 ( 0.000 -7.526 6.251) 9.783 21.511 ( 0.000 -14.867 0.492) 14.875 28.039 ( 0.000 0.518 5.702) 5.725 28.279 ( 0.000 -0.664 2.520) 2.606 28.304 ( 0.000 -1.196 -5.649) 5.775 28.359 ( 0.000 -1.125 -1.295) 1.716 36.831 ( 0.000 1.666 1.558) 2.281 36.907 ( 0.000 0.441 -1.878) 1.929 37.066 ( 0.000 7.141 3.197) 7.825 37.252 ( 0.000 11.668 -0.479) 11.677 37.452 ( 0.000 12.062 0.620) 12.078 37.947 ( 0.000 3.238 -12.563) 12.973 39.593 ( 0.000 -1.201 -0.638) 1.360 39.601 ( 0.000 7.930 -2.405) 8.287 ======================= Grid point 134 (46/80) ======================= q-point: ( 0.14 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -10.199 9.085 22.137) 26.011 1.438 ( 8.030 5.283 16.210) 18.846 1.628 ( 4.231 0.777 -4.928) 6.542 1.946 ( -0.701 2.895 4.234) 5.176 1.992 ( 0.711 0.493 1.043) 1.355 2.027 ( 2.327 0.466 -0.994) 2.573 2.304 ( 1.737 11.484 3.181) 12.042 2.495 ( -6.789 5.737 -3.625) 9.600 2.714 ( -4.268 0.296 0.822) 4.356 2.890 ( -4.395 0.455 -3.860) 5.867 3.343 ( 3.003 -3.551 4.676) 6.595 3.472 ( 3.372 -4.017 -1.760) 5.532 3.986 ( 6.067 18.624 24.586) 31.435 4.128 ( 12.463 9.023 10.656) 18.716 4.858 ( -1.419 -3.334 -17.206) 17.583 5.070 ( 0.045 8.672 -19.317) 21.175 5.282 ( 2.041 0.021 7.091) 7.379 5.595 ( -1.136 -0.167 -8.908) 8.982 6.007 ( -0.732 15.774 -6.609) 17.118 6.077 ( 2.227 15.315 -6.865) 16.931 6.556 ( 2.186 -7.567 17.511) 19.201 6.773 ( -3.969 5.923 7.372) 10.256 6.905 ( 0.575 3.608 0.373) 3.673 7.641 ( -4.829 -6.172 -16.214) 18.009 7.707 ( -0.961 6.964 -1.740) 7.242 8.013 ( -10.666 -1.448 -11.928) 16.067 8.687 ( 1.966 -4.399 10.609) 11.652 8.852 ( 1.488 -3.584 2.709) 4.733 9.028 ( 11.997 1.815 0.962) 12.171 9.450 ( 10.697 -0.813 -4.155) 11.504 9.564 ( 0.133 3.286 3.157) 4.559 9.741 ( 0.636 -4.696 2.278) 5.258 9.777 ( 3.839 -4.797 -7.072) 9.368 9.991 ( 4.586 1.654 0.357) 4.888 10.336 ( -2.479 12.043 -0.669) 12.313 10.457 ( 1.647 3.354 -8.205) 9.015 10.874 ( 2.324 10.862 5.901) 12.578 11.098 ( 2.165 9.519 -0.203) 9.764 11.556 ( -5.198 3.236 8.885) 10.790 11.776 ( -20.011 0.721 17.841) 26.819 12.022 ( -3.812 -1.377 -7.724) 8.723 12.329 ( -0.146 1.506 0.902) 1.762 12.464 ( -5.173 -0.589 -4.636) 6.971 12.616 ( 9.117 -3.368 -0.002) 9.720 12.769 ( 13.161 4.262 -1.278) 13.893 13.034 ( 1.574 2.781 5.440) 6.309 13.463 ( -10.084 -1.859 -2.325) 10.514 13.736 ( -1.715 -2.904 -18.224) 18.534 14.172 ( -10.117 -20.031 8.306) 23.929 14.579 ( -4.942 -22.358 -7.825) 24.198 15.381 ( 12.080 -16.916 12.784) 24.403 15.957 ( -2.911 -18.054 -9.688) 20.695 16.221 ( 0.553 -2.737 14.458) 14.725 16.417 ( -0.721 12.796 12.714) 18.052 16.760 ( -4.106 -1.017 -8.569) 9.556 17.128 ( -3.211 17.483 -19.847) 26.644 18.948 ( 2.240 -1.358 3.483) 4.358 19.018 ( 4.578 -1.044 2.148) 5.164 19.120 ( 2.202 1.020 1.401) 2.802 19.295 ( 0.753 -3.027 3.216) 4.480 19.317 ( -0.448 -2.387 -1.254) 2.733 19.493 ( 2.666 1.976 -6.401) 7.210 19.693 ( 0.043 10.032 12.183) 15.782 20.104 ( -2.860 -14.461 4.686) 15.468 20.183 ( 0.098 14.564 -5.716) 15.646 20.381 ( -0.327 -3.510 -3.824) 5.201 20.450 ( 0.651 -0.350 0.395) 0.838 20.505 ( 1.136 -4.017 -2.467) 4.849 20.631 ( -2.371 6.613 1.254) 7.136 20.708 ( -1.797 1.559 -2.974) 3.809 21.348 ( -1.480 -7.494 7.130) 10.449 21.529 ( 0.608 -14.443 -1.499) 14.534 28.046 ( 0.606 0.176 4.713) 4.755 28.214 ( -3.383 -0.460 -1.033) 3.567 28.366 ( 3.184 -1.473 -1.354) 3.761 28.374 ( 1.321 -1.315 -0.664) 1.979 36.842 ( 0.985 1.942 1.580) 2.690 36.918 ( 1.064 0.850 -1.881) 2.322 37.058 ( -0.847 7.372 2.975) 7.995 37.236 ( -1.966 14.038 -3.757) 14.664 37.503 ( 5.550 7.665 6.266) 11.350 38.015 ( 5.742 2.246 -12.299) 13.758 39.428 ( -14.357 6.646 2.009) 15.948 39.516 ( -7.356 -1.205 -1.939) 7.702 ======================= Grid point 135 (47/80) ======================= q-point: ( 0.29 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 4.416 16.962 14.546) 22.777 1.585 ( 6.515 5.203 12.157) 14.742 1.739 ( 2.794 -0.094 -13.048) 13.344 1.925 ( -1.786 3.131 2.546) 4.413 1.997 ( 1.382 -0.518 0.236) 1.494 2.072 ( 1.587 -1.608 -2.645) 3.478 2.253 ( -8.040 6.800 -0.527) 10.543 2.417 ( 2.885 7.977 0.568) 8.501 2.597 ( -7.317 0.908 1.522) 7.528 2.782 ( -5.616 1.811 -1.995) 6.229 3.422 ( 4.274 -4.246 4.484) 7.509 3.532 ( 2.007 -4.719 -0.841) 5.197 4.172 ( 11.449 16.211 19.396) 27.750 4.406 ( 13.613 7.295 -1.544) 15.521 4.801 ( -4.305 -1.505 -13.425) 14.179 5.037 ( -3.920 10.804 -17.391) 20.845 5.343 ( 3.577 -0.490 4.880) 6.070 5.556 ( -2.622 -1.589 -5.754) 6.520 6.010 ( 1.096 17.058 -2.361) 17.255 6.122 ( 1.547 19.454 -3.113) 19.763 6.526 ( -3.161 -4.823 2.521) 6.294 6.727 ( -2.574 -2.896 0.488) 3.905 6.940 ( 4.001 3.534 6.506) 8.416 7.475 ( -10.791 0.783 -12.181) 16.292 7.685 ( -0.825 6.327 -0.728) 6.422 7.823 ( -6.731 -3.117 -5.391) 9.170 8.797 ( 8.454 -9.281 14.818) 19.421 8.934 ( 5.674 -5.059 3.548) 8.389 9.277 ( 8.319 6.378 6.587) 12.380 9.508 ( -1.469 0.187 5.283) 5.486 9.651 ( 0.999 -9.624 2.667) 10.037 9.753 ( 9.859 -2.428 10.962) 14.942 9.865 ( 3.192 0.921 -9.331) 9.905 10.124 ( 2.950 9.175 3.484) 10.248 10.281 ( -3.576 11.776 -3.609) 12.825 10.607 ( 16.615 -3.723 -24.226) 29.611 10.923 ( 1.594 7.518 6.574) 10.113 11.160 ( 3.369 8.198 -2.552) 9.223 11.334 ( -19.938 1.162 15.434) 25.241 11.469 ( -4.369 2.857 6.214) 8.116 11.864 ( -10.088 0.902 -12.333) 15.959 12.225 ( -17.047 -4.869 -20.756) 27.297 12.421 ( 7.402 0.618 9.594) 12.133 12.736 ( 2.593 1.369 -0.350) 2.953 13.009 ( 5.414 5.110 8.461) 11.270 13.073 ( 2.446 -0.068 7.537) 7.925 13.297 ( -2.091 -0.745 -0.764) 2.347 13.637 ( -7.444 -0.176 -10.591) 12.947 14.048 ( -1.634 -17.240 6.373) 18.453 14.455 ( -6.314 -20.043 -8.238) 22.571 15.597 ( 8.168 -18.135 3.879) 20.265 15.873 ( -4.422 -20.856 -6.883) 22.403 16.280 ( 4.892 0.919 5.578) 7.476 16.448 ( 3.786 18.495 8.681) 20.779 16.637 ( -6.905 0.537 -9.564) 11.809 17.013 ( -7.975 19.395 -15.325) 25.974 19.018 ( 4.161 -1.950 2.937) 5.454 19.105 ( 3.424 -1.407 -0.764) 3.780 19.186 ( 3.687 5.070 4.355) 7.633 19.272 ( -2.136 -2.771 2.725) 4.435 19.349 ( 2.814 -5.002 1.408) 5.909 19.544 ( 1.156 8.483 -1.088) 8.631 19.707 ( 1.921 -3.265 4.664) 6.008 20.006 ( -5.527 -5.351 -1.473) 7.832 20.232 ( 3.699 3.321 0.987) 5.068 20.377 ( 0.179 -1.727 -3.198) 3.639 20.472 ( 0.973 1.192 0.425) 1.596 20.496 ( -2.272 -0.331 -0.442) 2.338 20.577 ( -2.176 4.955 1.667) 5.663 20.664 ( -2.166 0.261 -2.429) 3.265 21.338 ( 0.690 -7.828 6.242) 10.036 21.511 ( -2.279 -13.140 -1.850) 13.463 28.060 ( 0.767 -0.135 2.933) 3.034 28.153 ( -2.594 -0.216 -0.803) 2.724 28.406 ( 1.620 -1.624 0.702) 2.399 28.420 ( 1.869 -1.869 -0.143) 2.647 36.871 ( 1.861 2.746 1.637) 3.699 36.949 ( 1.739 2.062 -1.747) 3.214 37.033 ( -1.416 7.499 2.210) 7.945 37.174 ( -3.726 12.948 -4.299) 14.143 37.679 ( 10.993 4.338 9.995) 15.478 38.132 ( 4.147 1.701 -7.657) 8.873 39.120 ( -13.005 2.981 3.715) 13.850 39.318 ( -11.139 -2.109 -4.510) 12.201 ======================= Grid point 136 (48/80) ======================= q-point: ( 0.43 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 17.703 13.084 -2.280) 22.131 1.558 ( -14.577 4.153 -9.547) 17.913 1.748 ( 4.571 6.160 4.564) 8.926 1.847 ( -4.557 4.337 4.138) 7.530 2.091 ( 2.299 -1.058 -2.278) 3.405 2.094 ( 1.043 -0.705 -5.888) 6.022 2.191 ( 5.548 1.171 1.341) 5.827 2.385 ( -9.636 -0.227 -3.233) 10.166 2.541 ( 5.014 7.033 4.478) 9.729 2.662 ( -6.087 4.019 0.287) 7.300 3.503 ( 3.244 -4.873 3.132) 6.639 3.545 ( -0.772 -5.093 1.029) 5.253 4.428 ( 12.639 11.195 9.654) 19.449 4.638 ( -1.055 4.726 -4.764) 6.793 4.701 ( 4.129 7.955 -8.109) 12.086 4.902 ( -8.985 11.143 -14.400) 20.304 5.418 ( 3.594 -1.748 1.507) 4.271 5.491 ( -3.504 -2.427 -1.691) 4.586 6.051 ( 2.836 19.042 1.297) 19.296 6.112 ( -2.444 21.149 1.834) 21.368 6.524 ( 3.453 -5.721 -6.385) 9.243 6.632 ( -5.908 -4.715 -7.651) 10.755 7.064 ( 7.538 2.582 4.490) 9.146 7.248 ( -10.340 2.336 -3.841) 11.275 7.685 ( 0.940 3.317 -0.021) 3.448 7.726 ( -3.133 -0.051 -1.566) 3.503 8.994 ( 8.947 -9.875 9.654) 16.455 9.049 ( 4.017 -5.436 3.084) 7.430 9.303 ( -1.588 -3.555 14.010) 14.541 9.381 ( -8.605 -8.625 13.994) 18.555 9.813 ( 11.750 6.729 -1.935) 13.678 9.912 ( 3.257 4.614 -1.619) 5.876 9.975 ( 2.956 4.518 6.439) 8.403 10.072 ( -8.012 12.659 0.011) 14.981 10.315 ( 14.680 2.380 2.283) 15.046 10.751 ( -21.434 -2.806 12.824) 25.134 10.990 ( 11.412 -5.034 -11.219) 16.776 11.065 ( -1.227 5.035 -0.499) 5.207 11.297 ( 14.144 6.424 -9.809) 18.372 11.475 ( 4.561 2.157 -1.522) 5.269 11.653 ( -9.545 1.731 -8.610) 12.971 11.778 ( -24.531 -3.047 -22.207) 33.230 12.588 ( 7.963 2.218 9.361) 12.488 12.719 ( -4.158 3.406 4.609) 7.081 13.065 ( 5.604 -2.933 7.856) 10.085 13.182 ( 1.043 4.520 2.311) 5.182 13.269 ( 1.412 0.615 -2.556) 2.984 13.442 ( -10.685 1.065 -6.640) 12.625 14.129 ( 8.503 -16.165 4.060) 18.711 14.313 ( -8.057 -18.064 -3.291) 20.051 15.720 ( 4.224 -19.579 -0.955) 20.052 15.793 ( -3.386 -20.691 -4.068) 21.357 16.386 ( 4.880 1.831 -0.375) 5.226 16.489 ( -5.042 3.753 -3.630) 7.258 16.599 ( 8.630 19.907 -4.113) 22.083 16.814 ( -10.874 20.684 -10.157) 25.480 19.102 ( 3.766 -2.315 1.938) 4.827 19.153 ( 0.125 -1.869 -0.392) 1.913 19.222 ( 0.184 -1.381 3.173) 3.466 19.241 ( -0.650 -0.259 2.622) 2.713 19.428 ( 4.647 1.874 4.491) 6.729 19.517 ( -3.395 10.303 5.733) 12.269 19.782 ( 4.941 -10.123 -3.411) 11.770 19.892 ( -5.501 -7.288 -3.278) 9.701 20.320 ( 4.589 1.012 1.368) 4.894 20.393 ( 0.514 -1.285 -0.967) 1.688 20.426 ( -3.049 4.733 0.104) 5.631 20.455 ( -2.500 5.182 -0.810) 5.810 20.576 ( 1.830 0.480 1.472) 2.397 20.621 ( -2.190 -0.197 -0.541) 2.264 21.376 ( 2.843 -9.197 3.652) 10.296 21.446 ( -3.673 -11.172 0.473) 11.770 28.079 ( 1.108 -0.140 1.365) 1.764 28.108 ( -1.757 -0.118 0.103) 1.764 28.434 ( 0.984 -1.893 1.203) 2.449 28.442 ( 0.295 -1.991 0.844) 2.182 36.916 ( 2.376 3.902 1.673) 4.865 36.960 ( -1.435 4.278 0.975) 4.616 37.031 ( 2.089 6.835 -1.329) 7.270 37.095 ( -3.714 9.316 -3.070) 10.489 37.925 ( 11.999 3.705 9.362) 15.664 38.124 ( -5.793 3.278 3.091) 7.339 38.977 ( 0.101 -1.698 -3.026) 3.471 39.094 ( -9.611 -2.849 -6.216) 11.795 ======================= Grid point 140 (49/80) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.349 ( 0.000 6.477 9.069) 11.144 1.373 ( 0.000 8.445 9.284) 12.551 1.647 ( 0.000 3.141 0.743) 3.228 1.951 ( 0.000 -1.119 -5.040) 5.162 2.030 ( 0.000 3.442 -1.575) 3.785 2.078 ( 0.000 2.765 3.994) 4.858 2.532 ( 0.000 13.235 8.903) 15.951 2.685 ( 0.000 6.293 -0.521) 6.315 2.774 ( 0.000 0.373 0.458) 0.590 2.940 ( 0.000 -0.030 -2.941) 2.941 3.247 ( 0.000 -3.607 3.229) 4.841 3.347 ( 0.000 -4.436 -1.192) 4.593 4.150 ( 0.000 12.738 15.603) 20.142 4.474 ( 0.000 27.207 15.033) 31.084 4.802 ( 0.000 -3.276 -11.741) 12.190 5.118 ( 0.000 -1.563 -7.802) 7.957 5.292 ( 0.000 3.132 6.474) 7.192 5.695 ( 0.000 5.735 -18.339) 19.215 6.220 ( 0.000 4.409 4.439) 6.257 6.369 ( 0.000 12.609 -6.126) 14.019 6.538 ( 0.000 12.321 14.885) 19.323 7.033 ( 0.000 6.566 -8.180) 10.489 7.035 ( 0.000 11.346 2.480) 11.614 7.531 ( 0.000 6.521 -8.604) 10.796 7.875 ( 0.000 8.166 0.062) 8.166 8.035 ( 0.000 -10.188 -2.119) 10.406 8.714 ( 0.000 4.198 0.892) 4.292 8.807 ( 0.000 -2.581 3.139) 4.063 8.905 ( 0.000 0.478 -5.916) 5.936 9.117 ( 0.000 -8.999 -8.341) 12.270 9.614 ( 0.000 -6.425 2.431) 6.870 9.685 ( 0.000 -2.608 -1.519) 3.019 9.778 ( 0.000 11.487 -9.187) 14.709 9.975 ( 0.000 3.135 -7.229) 7.880 10.589 ( 0.000 11.990 4.346) 12.753 10.644 ( 0.000 14.516 -0.675) 14.532 11.102 ( 0.000 13.083 6.552) 14.632 11.273 ( 0.000 9.094 3.604) 9.782 11.639 ( 0.000 -1.623 7.440) 7.615 11.960 ( 0.000 -4.663 2.346) 5.220 12.091 ( 0.000 -8.170 24.060) 25.409 12.272 ( 0.000 -4.115 5.423) 6.808 12.412 ( 0.000 -0.916 -3.390) 3.512 12.553 ( 0.000 -0.306 -6.098) 6.106 12.690 ( 0.000 9.489 -11.256) 14.722 13.050 ( 0.000 -3.461 -5.368) 6.387 13.591 ( 0.000 -13.575 -13.115) 18.875 13.593 ( 0.000 0.327 -9.393) 9.399 13.750 ( 0.000 -24.256 8.659) 25.755 14.044 ( 0.000 -33.682 -1.848) 33.733 15.003 ( 0.000 -6.853 17.271) 18.581 15.524 ( 0.000 -23.827 -1.854) 23.899 16.241 ( 0.000 6.776 14.852) 16.325 16.778 ( 0.000 20.707 11.109) 23.498 16.829 ( 0.000 3.407 -8.929) 9.557 17.448 ( 0.000 10.620 -19.254) 21.989 18.905 ( 0.000 -1.078 -0.327) 1.126 18.929 ( 0.000 -1.724 0.016) 1.724 19.032 ( 0.000 -3.951 4.578) 6.047 19.181 ( 0.000 -13.515 -0.250) 13.517 19.291 ( 0.000 0.126 2.047) 2.051 19.459 ( 0.000 -1.289 -3.030) 3.292 19.805 ( 0.000 -10.384 7.079) 12.567 19.956 ( 0.000 5.321 7.867) 9.498 20.262 ( 0.000 -0.159 -1.598) 1.606 20.440 ( 0.000 0.453 0.150) 0.477 20.447 ( 0.000 0.233 -0.137) 0.271 20.549 ( 0.000 12.014 -8.659) 14.809 20.760 ( 0.000 1.815 -0.501) 1.883 20.792 ( 0.000 8.331 -0.956) 8.386 21.208 ( 0.000 -8.683 3.785) 9.472 21.248 ( 0.000 -11.306 1.714) 11.435 28.055 ( 0.000 1.169 4.580) 4.726 28.263 ( 0.000 -0.887 2.022) 2.208 28.272 ( 0.000 -1.984 -4.851) 5.241 28.329 ( 0.000 -1.896 -1.019) 2.153 36.867 ( 0.000 1.868 0.944) 2.093 36.912 ( 0.000 0.151 -1.405) 1.413 37.216 ( 0.000 7.219 7.173) 10.176 37.362 ( 0.000 2.975 11.686) 12.059 37.759 ( 0.000 14.700 -17.618) 22.946 38.039 ( 0.000 5.991 -15.803) 16.900 39.571 ( 0.000 -0.586 3.636) 3.683 39.745 ( 0.000 5.607 -5.809) 8.073 ======================= Grid point 141 (50/80) ======================= q-point: ( 0.14 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -2.364 13.294 9.645) 16.594 1.526 ( 8.511 3.859 6.175) 11.201 1.668 ( 2.994 3.865 -0.548) 4.920 1.950 ( -0.083 -0.824 -3.667) 3.759 2.032 ( 0.111 3.602 -1.057) 3.756 2.077 ( -0.177 2.267 2.635) 3.481 2.534 ( -1.542 10.391 5.915) 12.055 2.612 ( -5.877 6.442 -0.670) 8.746 2.729 ( -3.604 1.309 1.143) 4.001 2.905 ( -2.886 1.278 -1.784) 3.626 3.268 ( 2.158 -4.176 3.424) 5.816 3.383 ( 2.602 -4.988 -1.317) 5.778 4.227 ( 6.651 11.111 14.202) 19.219 4.541 ( 6.386 24.880 10.580) 27.780 4.793 ( -0.818 -2.700 -11.048) 11.402 5.142 ( 1.582 -0.741 -7.909) 8.099 5.313 ( 2.245 3.226 6.205) 7.345 5.689 ( -0.420 6.956 -16.247) 17.678 6.242 ( 1.836 6.036 3.722) 7.325 6.397 ( 2.411 10.481 -5.848) 12.242 6.569 ( 2.148 12.846 10.741) 16.882 6.925 ( -7.286 5.109 -3.473) 9.552 7.046 ( -0.840 14.734 0.077) 14.758 7.567 ( 1.425 3.633 -10.561) 11.259 7.840 ( -2.824 7.853 -0.842) 8.388 7.900 ( -9.616 -7.707 -2.032) 12.490 8.671 ( -2.366 1.477 7.295) 7.810 8.803 ( 0.501 -1.563 3.294) 3.680 9.037 ( 14.664 -0.548 -0.881) 14.700 9.370 ( 15.264 -6.720 -5.537) 17.573 9.575 ( -3.193 -3.368 1.567) 4.898 9.635 ( -4.190 -2.680 3.690) 6.193 9.809 ( 3.738 6.244 -11.649) 13.736 10.050 ( 7.558 4.392 -9.703) 13.060 10.567 ( -1.833 11.545 1.447) 11.779 10.616 ( -2.709 12.081 -0.808) 12.407 11.120 ( 1.156 12.404 4.904) 13.389 11.281 ( 0.934 8.566 4.373) 9.663 11.581 ( -4.636 -1.504 7.403) 8.864 11.781 ( -19.066 -1.646 14.453) 23.982 11.984 ( -0.477 -1.638 -3.795) 4.160 12.334 ( -4.070 -10.127 -3.870) 11.580 12.391 ( -6.287 0.813 -4.728) 7.908 12.558 ( 10.591 -2.269 9.433) 14.363 12.882 ( 11.785 5.720 -6.160) 14.476 13.037 ( -0.680 -5.248 -1.935) 5.634 13.424 ( -9.595 -0.307 0.383) 9.608 13.584 ( -1.401 -19.395 -6.792) 20.598 13.803 ( 1.482 -7.645 -3.479) 8.529 14.030 ( -1.458 -30.160 -3.002) 30.344 15.082 ( 6.497 -13.025 13.206) 19.654 15.494 ( -2.745 -23.241 -2.425) 23.528 16.271 ( 2.839 6.978 11.676) 13.896 16.769 ( -1.775 12.794 4.774) 13.770 16.802 ( -0.934 11.643 -3.543) 12.205 17.433 ( -1.789 11.531 -17.696) 21.197 18.938 ( 2.484 0.261 0.973) 2.681 18.977 ( 4.174 -2.874 -0.698) 5.116 19.064 ( 3.468 -5.377 5.088) 8.175 19.217 ( 3.240 -11.358 -0.585) 11.825 19.280 ( -1.024 -0.099 1.638) 1.934 19.439 ( -1.719 -3.920 -2.958) 5.203 19.799 ( -0.443 -7.139 6.903) 9.940 19.933 ( -2.285 2.969 6.793) 7.757 20.279 ( 1.490 0.781 -0.994) 1.953 20.441 ( 0.239 2.032 -0.065) 2.047 20.453 ( 0.159 1.181 -0.297) 1.228 20.533 ( -1.265 8.644 -6.914) 11.141 20.730 ( -2.564 2.002 -0.420) 3.279 20.764 ( -2.652 7.192 -1.086) 7.742 21.186 ( -1.055 -8.297 4.218) 9.367 21.266 ( 0.660 -11.328 0.610) 11.364 28.057 ( 0.244 1.036 3.914) 4.056 28.204 ( -2.896 -0.494 -1.207) 3.176 28.327 ( 2.527 -2.483 -1.204) 3.741 28.340 ( 1.007 -2.091 -0.441) 2.363 36.885 ( 1.709 2.341 0.987) 3.062 36.933 ( 1.983 0.649 -1.472) 2.553 37.218 ( -0.108 7.985 6.359) 10.208 37.392 ( 2.002 3.661 8.733) 9.679 37.747 ( -0.080 14.001 -12.830) 18.991 38.081 ( 3.827 4.377 -14.646) 15.758 39.481 ( -8.691 -0.963 2.359) 9.057 39.570 ( -15.201 5.686 -2.158) 16.373 ======================= Grid point 142 (51/80) ======================= q-point: ( 0.29 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 5.860 17.576 6.695) 19.700 1.668 ( 4.561 3.498 4.643) 7.389 1.780 ( 6.503 3.991 -6.483) 10.012 1.946 ( -0.404 0.453 -0.412) 0.734 2.043 ( 1.585 2.754 -1.117) 3.368 2.073 ( 0.110 1.704 1.052) 2.006 2.361 ( -11.495 4.429 -0.151) 12.320 2.544 ( -5.287 2.893 -4.708) 7.648 2.664 ( -0.548 7.328 7.327) 10.377 2.841 ( -3.281 4.080 0.518) 5.261 3.328 ( 3.359 -5.359 3.195) 7.086 3.426 ( 1.270 -5.986 -0.825) 6.174 4.390 ( 8.621 8.342 11.025) 16.293 4.715 ( 8.549 17.709 1.801) 19.747 4.772 ( -0.155 0.354 -8.711) 8.720 5.149 ( -1.313 0.799 -7.910) 8.058 5.390 ( 5.027 5.873 4.936) 9.172 5.679 ( -0.826 11.062 -10.855) 15.520 6.282 ( 1.829 6.775 1.889) 7.267 6.435 ( -0.347 2.410 -4.749) 5.336 6.588 ( 0.006 19.806 2.356) 19.946 6.783 ( -5.259 8.381 -3.217) 10.404 7.038 ( 0.922 9.211 3.274) 9.819 7.474 ( -10.170 -2.879 -9.253) 14.048 7.774 ( -2.498 2.899 -1.468) 4.098 7.799 ( -0.758 7.375 -3.154) 8.057 8.695 ( 5.292 -1.588 14.722) 15.725 8.869 ( 4.896 -1.234 4.490) 6.757 9.280 ( 2.394 -3.868 6.827) 8.203 9.424 ( -8.769 -8.666 5.698) 13.582 9.629 ( 13.361 7.111 -0.537) 15.145 9.703 ( 11.391 -2.920 7.132) 13.753 9.916 ( 5.470 2.927 -10.695) 12.364 10.271 ( 10.010 5.810 -4.150) 12.296 10.510 ( -6.185 10.604 -1.804) 12.408 10.587 ( 5.993 2.796 -14.770) 16.183 11.108 ( -4.331 10.052 5.734) 12.356 11.317 ( 2.344 7.613 3.132) 8.560 11.369 ( -19.245 1.214 8.859) 21.220 11.496 ( -2.502 -0.979 4.719) 5.431 11.878 ( -8.867 0.544 -13.304) 15.997 12.092 ( -16.677 -8.782 -14.857) 24.000 12.446 ( 8.537 1.618 11.709) 14.581 12.724 ( 5.464 -4.750 7.572) 10.476 12.933 ( -3.582 -4.982 1.579) 6.336 13.150 ( 4.467 -7.501 -4.221) 9.697 13.307 ( 0.243 9.369 3.990) 10.186 13.580 ( 2.568 -14.228 -2.958) 14.758 13.783 ( -3.059 1.413 -2.346) 4.106 13.985 ( -2.827 -25.504 -3.861) 25.949 15.212 ( 5.306 -20.973 6.115) 22.481 15.426 ( -3.377 -22.307 -3.407) 22.817 16.353 ( 4.878 6.606 5.558) 9.916 16.682 ( -5.378 5.105 -6.727) 10.012 16.852 ( 5.163 20.134 5.158) 21.416 17.356 ( -5.896 13.917 -13.804) 20.469 18.996 ( 3.161 -0.189 1.733) 3.610 19.056 ( 3.210 -3.460 -0.899) 4.804 19.184 ( 6.654 -6.871 5.260) 10.916 19.247 ( -1.064 -0.253 0.557) 1.227 19.275 ( 0.104 -2.255 -0.459) 2.304 19.426 ( 2.004 -15.654 -1.843) 15.889 19.785 ( -1.207 1.798 5.560) 5.967 19.870 ( -3.411 -0.943 5.055) 6.170 20.316 ( 1.940 1.071 -0.260) 2.231 20.418 ( -2.328 7.409 -2.558) 8.176 20.477 ( 2.208 -0.009 0.618) 2.293 20.517 ( -0.109 2.572 -1.971) 3.242 20.671 ( -2.916 1.981 -0.784) 3.612 20.692 ( -3.985 5.097 -0.998) 6.546 21.177 ( 0.203 -7.664 3.426) 8.397 21.260 ( -1.172 -11.064 -0.022) 11.126 28.066 ( 0.613 0.835 2.512) 2.717 28.151 ( -2.287 0.147 -0.876) 2.454 28.362 ( 1.243 -2.831 0.230) 3.101 28.372 ( 1.485 -2.945 -0.104) 3.300 36.936 ( 3.174 3.653 1.128) 4.969 36.992 ( 3.643 2.200 -1.678) 4.575 37.201 ( -1.580 8.775 4.103) 9.815 37.383 ( -3.622 6.915 -0.804) 7.848 37.822 ( 8.026 9.992 0.415) 12.823 38.181 ( 5.085 3.203 -9.808) 11.503 39.185 ( -17.593 2.873 2.342) 17.979 39.272 ( -12.924 -2.069 -1.287) 13.151 ======================= Grid point 143 (52/80) ======================= q-point: ( 0.43 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 11.171 14.992 1.265) 18.739 1.674 ( -5.275 6.784 -1.209) 8.678 1.874 ( 3.041 6.783 -0.701) 7.466 1.925 ( -1.784 3.787 2.625) 4.942 2.071 ( 1.252 -0.718 -4.156) 4.399 2.126 ( -1.346 2.830 -5.226) 6.093 2.195 ( 3.149 -0.090 2.763) 4.191 2.375 ( -9.703 -0.626 -3.893) 10.473 2.700 ( 2.990 8.712 5.105) 10.531 2.770 ( -3.569 6.586 2.427) 7.874 3.392 ( 2.660 -6.360 2.059) 7.194 3.430 ( -0.890 -6.616 0.465) 6.692 4.563 ( 7.815 5.029 4.914) 10.512 4.695 ( -4.710 2.113 -2.009) 5.540 4.936 ( 9.174 10.745 -6.201) 15.430 5.084 ( -5.076 4.029 -7.986) 10.285 5.509 ( 6.331 12.624 2.783) 14.394 5.629 ( -4.511 15.952 -2.919) 16.833 6.316 ( 1.691 2.394 -0.555) 2.983 6.369 ( -3.847 -2.269 -2.313) 5.030 6.625 ( 3.253 21.283 -2.852) 21.718 6.699 ( -3.708 15.121 -4.802) 16.292 7.100 ( 5.231 2.082 2.081) 6.002 7.255 ( -9.656 -2.120 -3.167) 10.381 7.756 ( 0.507 6.581 -1.757) 6.830 7.780 ( -1.333 7.508 -3.048) 8.212 8.861 ( 9.488 -3.420 12.085) 15.741 8.965 ( 2.400 -2.542 3.489) 4.939 9.201 ( -5.527 -4.839 12.651) 14.629 9.230 ( -7.488 -6.366 9.906) 13.954 9.928 ( 9.055 -1.244 6.083) 10.979 9.988 ( 5.820 4.577 0.784) 7.445 10.050 ( 15.515 6.266 0.910) 16.758 10.307 ( -8.431 10.589 -0.174) 13.537 10.407 ( 5.786 5.599 -1.722) 8.234 10.777 ( -23.241 4.911 8.414) 25.201 10.891 ( 16.646 -3.374 -18.609) 25.195 11.133 ( -7.241 1.008 -3.718) 8.202 11.401 ( 7.501 3.306 0.256) 8.201 11.529 ( 5.661 1.640 -2.276) 6.318 11.664 ( -13.021 -1.807 -10.102) 16.579 11.720 ( -15.571 -0.225 -12.092) 19.716 12.654 ( 10.243 3.784 10.940) 15.457 12.802 ( -1.260 3.448 4.909) 6.130 12.878 ( 2.305 -12.087 3.360) 12.755 13.040 ( -9.757 -16.712 -4.852) 19.951 13.447 ( 8.898 14.616 2.710) 17.325 13.607 ( -4.980 12.041 -3.937) 13.612 13.773 ( 5.593 -17.383 3.913) 18.675 13.904 ( -5.408 -22.064 -1.785) 22.787 15.297 ( 3.333 -23.677 0.628) 23.919 15.361 ( -3.022 -22.702 -2.562) 23.046 16.460 ( 5.318 5.964 0.117) 7.991 16.569 ( -5.385 5.725 -4.514) 9.063 17.002 ( 8.962 19.254 -0.975) 21.260 17.196 ( -9.235 16.886 -8.104) 20.883 19.071 ( 4.085 -0.759 0.367) 4.171 19.113 ( 1.854 -2.694 -0.911) 3.394 19.185 ( -2.450 -0.609 0.433) 2.562 19.205 ( -3.453 -3.254 -0.502) 4.772 19.376 ( 7.440 -9.348 5.089) 12.986 19.471 ( -0.497 -17.361 2.874) 17.604 19.761 ( 0.159 7.963 2.407) 8.320 19.805 ( -3.055 -0.417 2.643) 4.061 20.350 ( 1.217 0.928 0.201) 1.544 20.374 ( -1.536 3.610 -0.917) 4.029 20.522 ( 1.660 3.176 -0.644) 3.641 20.532 ( 1.393 2.346 -0.854) 2.859 20.613 ( -2.377 3.028 -0.188) 3.854 20.621 ( -2.445 0.832 -0.370) 2.610 21.193 ( 1.260 -8.275 1.874) 8.577 21.226 ( -1.875 -9.806 0.531) 9.998 28.083 ( 1.078 0.712 1.111) 1.703 28.111 ( -1.631 0.532 -0.047) 1.716 28.384 ( 0.754 -3.193 0.718) 3.358 28.390 ( 0.258 -3.289 0.505) 3.337 37.010 ( 3.706 5.420 1.324) 6.698 37.056 ( 0.800 5.181 -0.197) 5.246 37.179 ( 1.271 7.279 -0.107) 7.390 37.272 ( -6.118 7.311 -3.417) 10.127 38.041 ( 11.815 8.333 5.706) 15.543 38.222 ( -3.348 6.792 0.223) 7.575 38.931 ( -4.188 -3.049 -1.493) 5.391 39.020 ( -10.355 -4.568 -4.027) 12.013 ======================= Grid point 147 (53/80) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.459 ( 0.000 4.642 3.172) 5.622 1.502 ( 0.000 3.933 -0.410) 3.954 1.764 ( 0.000 8.911 2.001) 9.133 1.955 ( 0.000 1.592 -4.270) 4.557 2.078 ( 0.000 1.075 -0.802) 1.341 2.096 ( 0.000 -0.643 1.200) 1.361 2.744 ( 0.000 5.614 8.578) 10.252 2.782 ( 0.000 3.246 -0.210) 3.252 2.808 ( 0.000 6.107 0.611) 6.137 2.944 ( 0.000 0.874 0.174) 0.891 3.170 ( 0.000 -4.360 2.761) 5.160 3.256 ( 0.000 -5.158 0.356) 5.170 4.442 ( 0.000 17.011 8.122) 18.850 4.762 ( 0.000 0.856 -6.441) 6.498 4.889 ( 0.000 13.578 0.948) 13.611 5.047 ( 0.000 -5.131 -3.731) 6.344 5.368 ( 0.000 4.209 3.982) 5.794 5.738 ( 0.000 -2.155 -16.439) 16.580 6.245 ( 0.000 -0.129 9.777) 9.778 6.463 ( 0.000 -1.363 2.033) 2.448 6.807 ( 0.000 10.589 0.329) 10.594 6.989 ( 0.000 -5.198 -14.714) 15.605 7.276 ( 0.000 12.185 13.287) 18.028 7.765 ( 0.000 -7.054 1.793) 7.279 8.148 ( 0.000 37.552 0.408) 37.554 8.200 ( 0.000 29.177 -1.062) 29.196 8.759 ( 0.000 -2.411 6.555) 6.984 8.771 ( 0.000 0.403 6.089) 6.102 8.906 ( 0.000 0.199 -8.799) 8.801 8.956 ( 0.000 -6.805 -7.234) 9.932 9.518 ( 0.000 -3.764 -0.161) 3.767 9.652 ( 0.000 0.926 -8.338) 8.389 9.997 ( 0.000 10.016 -12.042) 15.663 10.061 ( 0.000 5.338 -10.038) 11.369 10.848 ( 0.000 13.454 6.638) 15.002 10.899 ( 0.000 10.841 -0.567) 10.856 11.172 ( 0.000 -13.457 5.201) 14.427 11.381 ( 0.000 -1.562 1.993) 2.532 11.564 ( 0.000 -4.483 4.868) 6.618 11.791 ( 0.000 -9.544 -0.647) 9.566 11.966 ( 0.000 -0.897 20.495) 20.515 12.090 ( 0.000 -13.005 8.286) 15.420 12.368 ( 0.000 -2.399 8.498) 8.830 12.617 ( 0.000 5.447 -12.689) 13.809 12.758 ( 0.000 -14.285 -6.390) 15.649 12.890 ( 0.000 2.104 -5.657) 6.035 13.276 ( 0.000 -10.611 -9.214) 14.053 13.422 ( 0.000 -18.803 -6.725) 19.969 13.605 ( 0.000 -0.649 3.264) 3.328 13.666 ( 0.000 -2.342 0.246) 2.355 14.912 ( 0.000 -2.706 11.987) 12.289 15.160 ( 0.000 -14.011 1.795) 14.126 16.439 ( 0.000 13.372 10.382) 16.929 16.924 ( 0.000 5.991 -9.480) 11.215 17.135 ( 0.000 14.357 5.815) 15.490 17.491 ( 0.000 -6.432 -8.885) 10.969 18.828 ( 0.000 -11.787 2.625) 12.076 18.842 ( 0.000 -6.438 -0.697) 6.476 18.941 ( 0.000 -2.155 -1.816) 2.818 19.035 ( 0.000 3.215 -4.482) 5.515 19.292 ( 0.000 1.165 3.842) 4.014 19.455 ( 0.000 0.944 1.350) 1.647 19.685 ( 0.000 -4.535 -0.213) 4.540 19.832 ( 0.000 -10.722 -3.042) 11.145 20.440 ( 0.000 6.762 3.538) 7.631 20.451 ( 0.000 0.167 0.020) 0.168 20.458 ( 0.000 4.769 3.738) 6.060 20.666 ( 0.000 2.014 -4.364) 4.807 20.825 ( 0.000 5.300 2.936) 6.059 20.947 ( 0.000 4.704 0.917) 4.793 21.067 ( 0.000 -5.481 1.955) 5.819 21.089 ( 0.000 -4.318 -0.681) 4.371 28.084 ( 0.000 1.910 2.912) 3.483 28.229 ( 0.000 -2.454 -3.407) 4.199 28.248 ( 0.000 -0.540 1.275) 1.385 28.291 ( 0.000 -1.955 -0.628) 2.054 36.898 ( 0.000 1.207 0.026) 1.208 36.914 ( 0.000 0.066 -1.046) 1.049 37.325 ( 0.000 4.103 10.608) 11.373 37.402 ( 0.000 1.211 13.457) 13.511 37.985 ( 0.000 9.133 -20.012) 21.998 38.148 ( 0.000 4.338 -20.096) 20.559 39.584 ( 0.000 2.167 7.670) 7.971 39.795 ( 0.000 -0.413 -2.595) 2.628 ======================= Grid point 148 (54/80) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 2.269 7.936 2.432) 8.605 1.582 ( 6.660 1.875 -0.875) 6.974 1.791 ( 2.618 8.426 1.339) 8.924 1.959 ( 0.305 1.695 -3.478) 3.881 2.082 ( 0.105 0.912 -0.575) 1.083 2.095 ( 0.059 -0.183 1.154) 1.170 2.646 ( -8.252 2.877 1.874) 8.937 2.726 ( -6.638 1.506 -1.984) 7.090 2.805 ( 1.058 8.640 6.517) 10.874 2.943 ( -0.343 2.664 1.168) 2.929 3.183 ( 1.314 -4.570 3.087) 5.669 3.281 ( 1.706 -5.716 0.126) 5.967 4.480 ( 3.486 14.819 7.877) 17.140 4.774 ( 1.109 1.768 -6.009) 6.361 4.902 ( 1.458 10.619 -0.493) 10.730 5.089 ( 2.877 -4.132 -5.175) 7.220 5.403 ( 4.205 5.870 4.692) 8.611 5.764 ( 2.556 -0.138 -13.422) 13.664 6.287 ( 2.866 0.938 9.500) 9.967 6.473 ( 1.283 -1.223 2.431) 3.009 6.825 ( 1.028 9.046 -3.284) 9.678 6.943 ( -2.770 -1.101 -8.432) 8.943 7.296 ( -0.374 8.183 2.899) 8.689 7.588 ( -13.764 -8.072 0.015) 15.956 8.154 ( 0.289 36.435 -0.415) 36.439 8.176 ( -1.676 30.318 -1.011) 30.382 8.683 ( -3.494 -0.404 10.408) 10.986 8.782 ( 3.137 -0.974 9.926) 10.456 9.030 ( 12.519 0.403 -3.749) 13.074 9.217 ( 13.280 -8.171 -6.232) 16.792 9.504 ( -0.476 -2.655 1.400) 3.039 9.655 ( 1.243 3.582 -8.477) 9.286 9.935 ( -2.112 5.872 -8.025) 10.165 10.155 ( 6.876 6.224 -15.081) 17.704 10.796 ( -4.591 11.074 4.945) 12.968 10.829 ( -6.332 8.482 0.584) 10.601 11.178 ( 0.022 -12.819 2.017) 12.977 11.378 ( -0.380 -4.631 3.149) 5.613 11.507 ( -4.482 -2.085 6.130) 7.875 11.716 ( -8.361 -0.616 6.041) 10.334 11.955 ( -6.102 -8.315 -2.672) 10.654 12.054 ( 2.814 -6.849 12.035) 14.130 12.466 ( -7.835 3.990 -7.326) 11.444 12.482 ( 6.609 -5.336 10.483) 13.493 12.814 ( 3.144 -9.495 -2.337) 10.272 12.954 ( 2.044 -3.673 -10.689) 11.486 13.221 ( -1.365 -11.900 -2.879) 12.319 13.459 ( 2.367 -4.326 -2.938) 5.740 13.564 ( -0.346 -7.266 4.506) 8.557 13.785 ( 7.342 -1.193 -7.090) 10.276 14.893 ( -1.875 -6.285 11.779) 13.482 15.131 ( -2.739 -14.437 0.546) 14.704 16.467 ( 2.606 13.241 8.480) 15.938 16.894 ( -2.791 7.117 -9.007) 11.814 17.131 ( 0.187 13.094 5.080) 14.046 17.495 ( -0.080 -5.744 -9.027) 10.700 18.865 ( 3.330 -9.303 1.834) 10.050 18.900 ( 5.211 -8.997 0.542) 10.412 18.975 ( 3.317 -3.170 -1.199) 4.742 19.034 ( 0.045 2.894 -3.383) 4.452 19.276 ( -1.645 0.788 3.525) 3.969 19.430 ( -2.490 1.865 0.043) 3.111 19.691 ( 0.674 -4.738 1.021) 4.893 19.835 ( 0.041 -9.841 -2.272) 10.100 20.436 ( -0.183 7.225 4.477) 8.502 20.457 ( 0.108 3.065 2.028) 3.676 20.464 ( 0.921 0.624 0.057) 1.114 20.644 ( -2.032 2.360 -4.194) 5.224 20.787 ( -3.068 4.498 2.368) 5.938 20.913 ( -3.834 6.455 -0.689) 7.539 21.048 ( -0.046 -5.942 2.453) 6.428 21.110 ( 0.591 -4.752 0.162) 4.791 28.087 ( 0.225 2.004 2.537) 3.241 28.197 ( -1.854 -0.273 -1.599) 2.464 28.275 ( 1.408 -2.710 -0.168) 3.058 28.297 ( 0.619 -2.226 -0.424) 2.349 36.924 ( 2.557 1.607 0.015) 3.020 36.943 ( 2.786 0.406 -1.168) 3.048 37.341 ( 1.084 4.719 9.399) 10.573 37.434 ( 2.481 1.021 11.811) 12.112 37.973 ( -0.443 9.450 -17.369) 19.779 38.163 ( 1.771 3.304 -18.227) 18.609 39.480 ( -9.760 1.308 6.443) 11.768 39.633 ( -14.738 0.603 -0.812) 14.773 ======================= Grid point 149 (55/80) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 6.688 10.375 2.231) 12.544 1.728 ( 6.027 2.420 -1.269) 6.618 1.875 ( 5.680 5.593 -2.285) 8.292 1.971 ( 1.072 2.242 -1.374) 2.839 2.069 ( -1.326 0.201 -0.385) 1.395 2.110 ( 1.708 1.228 1.206) 2.425 2.435 ( -11.487 3.469 0.212) 12.001 2.559 ( -9.103 -0.298 -3.508) 9.760 2.828 ( 1.279 8.482 6.272) 10.627 2.928 ( -1.161 4.645 2.180) 5.261 3.220 ( 2.091 -5.704 2.869) 6.719 3.304 ( 0.327 -6.711 0.028) 6.719 4.573 ( 5.192 10.774 6.575) 13.648 4.792 ( 0.050 3.600 -3.479) 5.007 4.954 ( 3.549 5.397 -3.831) 7.510 5.119 ( -0.190 -3.673 -6.458) 7.432 5.569 ( 11.597 10.978 4.747) 16.659 5.841 ( 4.781 4.684 -7.377) 9.961 6.309 ( -0.833 0.575 5.399) 5.493 6.503 ( -0.805 1.906 3.489) 4.057 6.805 ( -1.696 4.932 -7.020) 8.745 6.933 ( 1.027 4.099 -2.258) 4.791 7.211 ( -6.447 2.188 -4.866) 8.368 7.334 ( -9.368 -8.748 -4.267) 13.509 8.137 ( -1.174 32.642 -0.834) 32.674 8.161 ( -0.679 32.438 -1.807) 32.496 8.707 ( 5.352 2.839 16.590) 17.662 8.871 ( 4.897 0.739 9.400) 10.625 9.209 ( 1.814 -2.771 2.494) 4.146 9.278 ( -5.826 -5.898 2.286) 8.600 9.631 ( 10.415 -4.671 5.182) 12.535 9.796 ( 15.676 8.438 -6.823) 19.065 9.951 ( 2.727 1.149 -6.189) 6.860 10.356 ( 11.801 3.699 -15.165) 19.568 10.657 ( -9.807 5.939 1.047) 11.513 10.702 ( -2.552 5.629 -2.612) 6.709 11.154 ( -2.414 -10.888 -1.652) 11.274 11.341 ( -5.780 -16.118 -2.826) 17.354 11.388 ( -11.640 2.731 14.918) 19.118 11.486 ( -5.303 10.030 5.281) 12.515 11.818 ( -7.074 -7.755 -8.341) 13.407 12.015 ( -8.305 4.821 -8.868) 13.071 12.398 ( 2.680 -9.657 5.917) 11.638 12.630 ( 7.785 1.470 12.112) 14.473 12.834 ( -5.909 -15.377 -12.743) 20.827 12.928 ( 1.161 -2.471 -1.107) 2.945 13.292 ( 6.174 -10.076 7.973) 14.256 13.541 ( 4.220 -4.450 -2.656) 6.684 13.579 ( 2.812 -0.390 6.010) 6.646 13.913 ( 4.078 6.442 -9.430) 12.127 14.845 ( -2.100 -15.256 9.286) 17.983 15.053 ( -4.663 -16.353 -1.533) 17.074 16.536 ( 3.924 12.490 4.059) 13.707 16.818 ( -4.336 9.052 -7.553) 12.561 17.165 ( 3.366 10.170 2.500) 11.000 17.469 ( -2.661 -3.389 -8.641) 9.655 18.945 ( 3.913 -6.501 1.479) 7.731 19.030 ( 6.315 -9.431 0.596) 11.365 19.042 ( 1.986 -1.742 1.327) 2.956 19.075 ( 5.073 -3.413 -1.033) 6.201 19.227 ( -2.831 -0.505 2.349) 3.713 19.352 ( -4.844 3.626 -1.665) 6.276 19.715 ( 1.525 -5.194 2.751) 6.072 19.824 ( -1.237 -8.108 -0.159) 8.203 20.432 ( -0.041 8.592 3.717) 9.362 20.475 ( 1.459 0.419 0.543) 1.612 20.487 ( 1.439 0.815 0.254) 1.673 20.594 ( -2.263 3.316 -3.731) 5.481 20.717 ( -3.561 3.768 1.173) 5.316 20.806 ( -5.880 6.255 -1.248) 8.675 21.058 ( 0.693 -4.944 2.070) 5.404 21.107 ( -0.728 -5.236 0.505) 5.311 28.095 ( 0.569 2.148 1.671) 2.780 28.162 ( -1.590 1.013 -0.961) 2.116 28.299 ( 0.929 -3.591 0.144) 3.712 28.312 ( 0.665 -3.124 -0.093) 3.195 37.000 ( 4.730 2.792 0.081) 5.494 37.028 ( 5.347 1.405 -1.546) 5.741 37.342 ( -1.524 5.580 5.593) 8.046 37.453 ( -1.842 1.333 4.427) 4.977 38.019 ( 6.182 9.501 -7.331) 13.500 38.239 ( 5.891 2.278 -12.254) 13.785 39.203 ( -16.963 -0.227 3.761) 17.377 39.261 ( -18.836 0.234 1.261) 18.880 ======================= Grid point 150 (56/80) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 6.833 9.252 1.258) 11.570 1.793 ( 0.100 5.461 0.093) 5.463 1.974 ( 2.685 2.162 -2.893) 4.501 2.019 ( 0.039 5.336 2.021) 5.706 2.049 ( 3.516 -0.864 -4.154) 5.510 2.182 ( 2.030 2.168 -3.810) 4.831 2.212 ( -5.493 2.672 3.213) 6.902 2.365 ( -9.453 -0.453 -2.729) 9.849 2.860 ( 1.741 7.647 4.593) 9.089 2.897 ( -1.760 6.329 3.137) 7.280 3.262 ( 1.894 -7.024 1.726) 7.477 3.294 ( -1.140 -7.389 0.564) 7.498 4.681 ( 4.960 7.469 3.557) 9.646 4.763 ( -2.816 5.276 -0.043) 5.980 5.033 ( 3.613 0.763 -5.764) 6.845 5.093 ( -2.163 -2.182 -6.225) 6.942 5.828 ( 11.467 16.437 4.076) 20.452 5.930 ( 2.041 12.388 -0.249) 12.558 6.281 ( -0.536 -1.708 -0.736) 1.935 6.373 ( -9.080 2.875 -0.953) 9.572 6.833 ( 3.702 1.457 -0.509) 4.011 6.915 ( -3.295 2.090 -0.686) 3.962 7.139 ( 0.295 -2.421 -6.136) 6.603 7.194 ( -4.587 -3.373 -8.341) 10.099 8.123 ( -0.027 31.963 -0.951) 31.977 8.138 ( -1.247 31.144 -1.550) 31.207 8.858 ( 8.112 2.622 11.468) 14.290 8.954 ( 1.451 1.015 5.644) 5.915 9.135 ( -5.124 -2.389 9.781) 11.298 9.155 ( -4.570 -0.749 8.461) 9.645 9.847 ( 9.863 -7.215 5.761) 13.510 9.970 ( -1.193 -5.786 -1.824) 6.183 10.218 ( 18.084 9.412 -0.131) 20.387 10.434 ( -7.509 2.783 -3.125) 8.597 10.532 ( 6.243 7.983 -0.943) 10.178 10.817 ( 5.519 -1.466 -7.283) 9.255 10.952 ( -15.579 7.844 -3.424) 17.776 11.077 ( -6.827 -7.457 -4.836) 11.207 11.323 ( 2.058 -15.168 2.808) 15.562 11.438 ( -5.489 -6.669 -0.472) 8.651 11.708 ( -0.294 6.808 -4.779) 8.323 11.816 ( -8.889 9.562 -9.826) 16.340 12.504 ( 6.693 -17.212 -0.857) 18.487 12.662 ( -8.399 -19.464 -8.526) 22.849 12.806 ( 7.878 6.135 10.304) 14.349 12.925 ( -3.051 6.131 4.835) 8.383 13.423 ( 6.046 -14.839 5.505) 16.943 13.523 ( -3.352 -16.673 1.173) 17.047 13.748 ( 9.816 15.725 3.774) 18.917 13.911 ( -4.672 15.178 -1.873) 15.991 14.847 ( 2.837 -22.009 2.687) 22.354 14.944 ( -5.683 -20.191 -1.447) 21.026 16.625 ( 4.615 11.327 -0.796) 12.257 16.723 ( -4.821 10.335 -4.913) 12.418 17.264 ( 5.828 5.978 -1.901) 8.563 17.385 ( -5.370 0.935 -6.270) 8.308 19.021 ( 3.633 -4.718 2.197) 6.347 19.081 ( -0.405 -4.321 4.008) 5.907 19.120 ( 2.859 -3.971 -0.966) 4.987 19.161 ( 1.639 -5.795 0.133) 6.024 19.197 ( 1.243 -4.336 1.132) 4.651 19.250 ( -4.288 3.471 -1.908) 5.837 19.747 ( 1.611 -5.957 3.216) 6.959 19.786 ( -2.157 -6.739 2.124) 7.387 20.443 ( 1.235 7.393 1.033) 7.566 20.476 ( -1.436 4.321 -0.125) 4.555 20.538 ( 3.134 0.136 0.133) 3.139 20.577 ( 0.194 1.349 -1.929) 2.362 20.652 ( -1.865 4.364 0.303) 4.755 20.692 ( -4.714 5.523 -0.954) 7.323 21.072 ( 0.664 -4.889 1.183) 5.074 21.088 ( -0.935 -5.193 0.703) 5.323 28.110 ( 0.928 2.123 0.696) 2.419 28.132 ( -1.249 1.780 -0.205) 2.185 28.314 ( 0.553 -3.904 0.359) 3.960 28.320 ( 0.049 -3.809 0.229) 3.817 37.110 ( 5.392 4.628 0.439) 7.119 37.145 ( 4.489 3.755 -1.180) 5.970 37.286 ( -2.216 3.820 0.919) 4.510 37.357 ( -6.426 1.840 -1.607) 6.875 38.225 ( 12.274 9.943 1.569) 15.873 38.364 ( 2.807 7.099 -2.825) 8.140 38.863 ( -10.600 -3.772 0.642) 11.270 38.928 ( -13.062 -4.750 -1.470) 13.976 ======================= Grid point 154 (57/80) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.523 ( 0.000 2.027 -0.194) 2.036 1.539 ( 0.000 0.372 -1.531) 1.575 1.940 ( 0.000 8.151 -0.880) 8.198 2.003 ( 0.000 2.930 -2.533) 3.873 2.057 ( 0.000 -3.392 -0.937) 3.519 2.062 ( 0.000 -2.570 -0.064) 2.571 2.782 ( 0.000 1.226 1.806) 2.183 2.803 ( 0.000 -0.583 -0.092) 0.590 2.976 ( 0.000 7.971 3.882) 8.866 2.987 ( 0.000 3.325 2.252) 4.016 3.085 ( 0.000 -3.751 3.820) 5.354 3.143 ( 0.000 -6.529 3.221) 7.280 4.773 ( 0.000 15.808 0.047) 15.808 4.817 ( 0.000 4.766 -3.327) 5.812 4.935 ( 0.000 -6.001 -3.107) 6.758 4.993 ( 0.000 -3.792 -5.965) 7.068 5.463 ( 0.000 6.742 -1.496) 6.906 5.624 ( 0.000 -8.527 -10.282) 13.357 6.266 ( 0.000 3.395 10.732) 11.256 6.373 ( 0.000 -6.536 7.800) 10.177 6.921 ( 0.000 2.289 -9.615) 9.883 6.937 ( 0.000 -0.605 -13.137) 13.151 7.464 ( 0.000 7.842 15.283) 17.178 7.607 ( 0.000 -7.588 9.374) 12.060 8.719 ( 0.000 -0.863 11.255) 11.288 8.735 ( 0.000 -2.213 11.722) 11.929 8.782 ( 0.000 15.278 0.947) 15.307 8.863 ( 0.000 6.474 -6.061) 8.869 8.901 ( 0.000 22.474 -1.133) 22.503 8.971 ( 0.000 10.305 -9.460) 13.989 9.480 ( 0.000 3.020 -3.155) 4.368 9.682 ( 0.000 -3.595 -13.833) 14.292 10.141 ( 0.000 5.350 -10.358) 11.659 10.184 ( 0.000 5.853 -5.339) 7.922 10.689 ( 0.000 -19.390 -1.850) 19.478 10.898 ( 0.000 -21.596 -7.692) 22.925 11.062 ( 0.000 7.600 5.214) 9.217 11.146 ( 0.000 -5.676 1.831) 5.964 11.588 ( 0.000 4.321 -0.505) 4.351 11.679 ( 0.000 -4.769 -4.372) 6.470 11.949 ( 0.000 -0.237 16.952) 16.953 11.983 ( 0.000 -0.683 21.430) 21.441 12.368 ( 0.000 4.099 9.578) 10.418 12.512 ( 0.000 -9.719 6.669) 11.787 12.745 ( 0.000 7.636 -16.253) 17.957 12.886 ( 0.000 -5.217 -14.572) 15.478 13.149 ( 0.000 -2.207 -7.755) 8.063 13.183 ( 0.000 -6.024 -3.324) 6.880 13.620 ( 0.000 1.388 4.235) 4.457 13.645 ( 0.000 -1.089 1.374) 1.753 14.898 ( 0.000 1.322 7.655) 7.769 14.969 ( 0.000 -6.305 4.312) 7.639 16.742 ( 0.000 17.167 4.480) 17.742 16.993 ( 0.000 -3.445 -6.391) 7.260 17.279 ( 0.000 0.832 0.056) 0.834 17.299 ( 0.000 -7.355 -0.070) 7.355 18.676 ( 0.000 -1.663 4.317) 4.626 18.725 ( 0.000 -5.198 1.875) 5.526 18.977 ( 0.000 3.829 -6.330) 7.398 19.050 ( 0.000 -2.543 -9.829) 10.153 19.385 ( 0.000 7.832 3.237) 8.474 19.484 ( 0.000 0.764 4.600) 4.663 19.590 ( 0.000 -4.167 -4.178) 5.901 19.645 ( 0.000 -7.833 -1.292) 7.939 20.453 ( 0.000 0.074 0.353) 0.361 20.454 ( 0.000 0.025 0.457) 0.457 20.599 ( 0.000 5.114 0.849) 5.184 20.665 ( 0.000 -1.833 -2.878) 3.412 20.920 ( 0.000 2.170 5.118) 5.559 20.942 ( 0.000 -1.737 3.871) 4.243 21.026 ( 0.000 2.154 1.429) 2.585 21.074 ( 0.000 -0.780 0.246) 0.818 28.128 ( 0.000 2.517 0.896) 2.672 28.179 ( 0.000 -2.710 -1.314) 3.012 28.245 ( 0.000 0.249 0.435) 0.502 28.259 ( 0.000 -1.229 -0.229) 1.250 36.913 ( 0.000 0.373 -0.618) 0.722 36.915 ( 0.000 0.021 -0.863) 0.863 37.383 ( 0.000 2.080 12.777) 12.945 37.408 ( 0.000 -0.522 13.686) 13.695 38.123 ( 0.000 5.296 -21.611) 22.250 38.184 ( 0.000 -0.751 -22.275) 22.288 39.653 ( 0.000 4.656 7.563) 8.881 39.745 ( 0.000 -4.223 3.123) 5.252 ======================= Grid point 155 (58/80) ======================= q-point: ( 0.14 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 4.636 2.895 -0.414) 5.481 1.600 ( 5.732 -0.055 -1.587) 5.948 1.953 ( 1.163 7.424 -1.260) 7.620 2.007 ( 0.439 2.952 -2.242) 3.733 2.057 ( -0.009 -2.804 -0.145) 2.808 2.073 ( 0.943 -2.679 -0.483) 2.881 2.689 ( -7.820 1.891 0.944) 8.101 2.721 ( -7.306 -1.241 -0.549) 7.431 2.967 ( -0.023 6.657 3.826) 7.679 3.006 ( 0.646 3.357 1.979) 3.950 3.101 ( 1.179 -2.905 4.306) 5.326 3.162 ( 1.188 -6.415 2.868) 7.127 4.762 ( 0.136 12.840 0.510) 12.851 4.855 ( 2.371 6.168 -2.641) 7.116 4.945 ( 0.820 -4.757 -2.856) 5.609 5.002 ( 0.722 -5.333 -5.880) 7.971 5.536 ( 7.212 7.907 -1.458) 10.801 5.689 ( 6.072 -6.911 -8.517) 12.536 6.314 ( 3.681 2.546 9.995) 10.951 6.395 ( 2.204 -5.303 7.941) 9.800 6.923 ( -0.239 2.235 -11.468) 11.687 6.939 ( 0.614 0.401 -8.577) 8.609 7.387 ( -7.199 2.634 5.516) 9.444 7.450 ( -13.278 -4.972 4.509) 14.878 8.665 ( -1.887 2.656 13.333) 13.725 8.704 ( 0.271 1.096 14.191) 14.236 8.834 ( 3.206 22.706 2.842) 23.107 8.920 ( 3.247 27.692 -0.367) 27.885 9.045 ( 9.408 -1.546 -1.502) 9.652 9.100 ( 9.336 -1.278 -8.450) 12.657 9.488 ( 1.014 3.498 -2.535) 4.438 9.690 ( 1.819 -5.301 -13.638) 14.745 10.069 ( -2.952 10.817 -4.668) 12.145 10.259 ( 5.055 1.244 -11.819) 12.914 10.678 ( -0.955 -18.942 -1.925) 19.064 10.827 ( -6.108 -17.522 -5.657) 19.399 10.995 ( -6.255 6.216 5.206) 10.241 11.099 ( -4.380 -9.390 0.082) 10.362 11.581 ( -1.135 6.104 3.326) 7.044 11.706 ( 1.519 -5.964 -3.472) 7.066 11.853 ( -7.417 5.574 13.697) 16.544 11.998 ( 1.050 -6.397 13.529) 15.002 12.440 ( 2.484 5.210 3.487) 6.743 12.545 ( 1.232 -0.030 0.708) 1.421 12.708 ( 3.122 -1.645 -0.615) 3.583 12.787 ( -8.853 -8.581 -14.624) 19.128 13.165 ( 2.686 2.492 -0.843) 3.760 13.267 ( 3.916 -8.132 -2.803) 9.451 13.638 ( 3.659 5.817 2.369) 7.269 13.736 ( 7.637 -4.063 -2.784) 9.088 14.844 ( -5.240 1.059 7.695) 9.370 14.925 ( -4.245 -7.236 3.503) 9.091 16.769 ( 2.396 17.154 3.589) 17.688 17.003 ( 0.734 -0.514 -6.606) 6.666 17.235 ( -2.926 -1.262 0.309) 3.201 17.303 ( -0.451 -8.442 -1.851) 8.654 18.725 ( 4.482 -1.616 4.242) 6.379 18.773 ( 4.362 -5.064 2.097) 7.005 18.991 ( 1.388 2.934 -5.114) 6.057 19.052 ( 0.390 -2.141 -8.125) 8.412 19.370 ( -1.521 8.625 3.767) 9.534 19.479 ( -0.767 1.688 2.886) 3.430 19.591 ( 0.036 -4.994 -3.137) 5.897 19.642 ( -0.402 -8.538 -1.084) 8.616 20.455 ( 0.395 0.289 0.474) 0.681 20.460 ( 0.557 -0.246 0.368) 0.711 20.590 ( -0.777 4.791 0.578) 4.888 20.649 ( -1.456 -1.503 -2.654) 3.380 20.883 ( -2.478 4.355 4.376) 6.653 20.955 ( 0.098 -3.813 2.906) 4.795 21.001 ( -2.116 3.680 1.484) 4.497 21.060 ( -1.325 -2.024 0.526) 2.476 28.132 ( 0.465 2.663 0.840) 2.831 28.181 ( 0.195 -1.929 -1.268) 2.317 28.241 ( -0.328 -0.260 0.558) 0.698 28.258 ( -0.088 -1.678 -0.219) 1.695 36.945 ( 3.107 0.542 -0.737) 3.239 36.948 ( 3.190 0.116 -1.023) 3.352 37.407 ( 1.802 2.347 11.438) 11.814 37.436 ( 2.177 -0.724 12.287) 12.499 38.118 ( 0.056 5.599 -19.389) 20.181 38.185 ( 0.646 -1.203 -20.172) 20.218 39.531 ( -11.423 3.681 6.913) 13.850 39.603 ( -13.142 -3.180 3.446) 13.953 ======================= Grid point 156 (59/80) ======================= q-point: ( 0.29 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 7.489 4.304 -0.559) 8.656 1.748 ( 7.771 -0.527 -2.235) 8.103 1.977 ( 0.663 4.311 -1.995) 4.796 2.021 ( 0.421 1.303 -2.930) 3.234 2.061 ( 1.075 0.336 1.605) 1.961 2.104 ( 2.377 -1.910 -0.002) 3.050 2.497 ( -10.197 2.876 0.147) 10.596 2.541 ( -9.496 -1.616 -1.235) 9.711 2.974 ( 0.731 6.233 3.559) 7.215 3.014 ( 0.278 3.736 1.938) 4.218 3.120 ( 0.541 -3.678 3.829) 5.336 3.172 ( -0.350 -6.590 2.120) 6.932 4.789 ( 2.298 10.976 1.165) 11.274 4.893 ( 0.962 5.759 -2.052) 6.189 4.965 ( 1.124 -4.188 -2.892) 5.212 5.014 ( 0.265 -6.194 -4.952) 7.935 5.756 ( 13.663 7.904 -0.053) 15.785 5.860 ( 10.269 -2.488 -3.684) 11.190 6.357 ( -0.208 4.259 8.298) 9.329 6.458 ( 2.289 -5.330 8.771) 10.515 6.906 ( -1.438 4.600 -8.899) 10.120 6.957 ( 0.670 -0.166 -6.966) 7.000 7.149 ( -13.354 -2.161 -2.078) 13.687 7.212 ( -8.723 -5.655 -7.048) 12.559 8.666 ( 1.333 10.499 13.123) 16.859 8.744 ( 3.203 7.401 10.847) 13.516 8.878 ( 0.442 23.605 3.935) 23.935 9.004 ( 4.338 18.539 3.183) 19.303 9.171 ( -0.345 -1.755 0.050) 1.789 9.208 ( 3.723 -1.871 -1.624) 4.472 9.537 ( 3.105 -1.559 3.184) 4.713 9.761 ( 2.611 -13.310 -9.485) 16.551 10.123 ( 10.628 17.572 -3.401) 20.816 10.420 ( 10.589 0.420 -13.729) 17.343 10.655 ( -1.193 -12.618 -2.731) 12.966 10.693 ( -5.308 -12.599 -2.971) 13.991 10.850 ( -5.908 -0.487 3.373) 6.821 10.982 ( -6.289 -13.318 -2.285) 14.905 11.490 ( -10.076 6.101 8.627) 14.601 11.593 ( -11.748 -2.748 6.782) 13.841 11.805 ( 2.913 9.424 -1.346) 9.955 12.031 ( 2.463 -9.978 -0.901) 10.317 12.303 ( -10.124 7.314 -9.716) 15.823 12.527 ( -9.731 -13.723 -13.398) 21.506 12.748 ( 9.720 7.683 11.463) 16.879 12.884 ( 10.408 -5.080 6.490) 13.276 13.196 ( -0.090 0.927 4.985) 5.071 13.304 ( -0.321 -9.370 1.024) 9.432 13.791 ( 10.814 10.646 0.727) 15.192 13.945 ( 12.089 -4.004 -5.977) 14.068 14.687 ( -9.711 -0.358 7.610) 12.343 14.796 ( -8.269 -10.187 1.924) 13.261 16.828 ( 3.099 16.945 0.920) 17.250 17.008 ( -0.785 7.778 -6.770) 10.341 17.188 ( -1.070 -6.758 -1.174) 6.942 17.281 ( -1.501 -11.753 -4.103) 12.539 18.841 ( 6.203 -1.152 4.145) 7.549 18.887 ( 6.236 -4.789 2.635) 8.293 19.025 ( 1.604 1.550 -1.973) 2.978 19.075 ( 1.615 -2.380 -4.206) 5.096 19.328 ( -2.143 10.629 3.467) 11.384 19.444 ( -2.586 4.567 -0.118) 5.250 19.587 ( -0.553 -8.245 -1.010) 8.325 19.623 ( -1.492 -9.731 -0.260) 9.848 20.475 ( 1.508 0.275 0.527) 1.621 20.481 ( 1.551 -0.338 0.286) 1.612 20.572 ( -0.954 3.874 0.074) 3.990 20.614 ( -1.765 -0.825 -2.109) 2.871 20.832 ( -2.248 7.368 2.991) 8.264 20.916 ( -3.609 3.637 -0.100) 5.125 20.973 ( -0.468 -3.392 2.500) 4.240 21.024 ( -1.972 -4.154 0.687) 4.650 28.146 ( 0.796 3.009 0.668) 3.184 28.184 ( 0.007 0.527 -0.975) 1.108 28.235 ( -0.125 -2.133 0.642) 2.231 28.255 ( -0.291 -2.682 -0.154) 2.702 37.038 ( 5.875 1.104 -0.945) 6.052 37.045 ( 6.128 0.345 -1.413) 6.298 37.420 ( -1.465 2.745 6.446) 7.158 37.455 ( -1.510 -0.941 6.287) 6.534 38.171 ( 6.354 6.088 -11.106) 14.170 38.248 ( 6.361 -1.717 -12.993) 14.568 39.214 ( -18.554 1.468 5.072) 19.291 39.248 ( -19.993 -1.556 3.453) 20.349 ======================= Grid point 157 (60/80) ======================= q-point: ( 0.43 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 5.811 4.715 -1.073) 7.560 1.880 ( 3.889 2.709 -1.991) 5.140 1.974 ( -0.569 -0.920 -2.169) 2.424 1.998 ( -2.194 -2.583 -2.619) 4.283 2.133 ( 5.752 4.412 0.862) 7.300 2.188 ( 6.088 -1.240 0.027) 6.213 2.292 ( -9.276 4.124 0.340) 10.157 2.348 ( -8.950 -1.682 -0.929) 9.154 2.995 ( 1.225 6.513 3.174) 7.348 3.015 ( -0.424 5.992 2.579) 6.537 3.129 ( 0.667 -6.458 2.338) 6.900 3.152 ( -1.349 -7.114 1.649) 7.426 4.844 ( 2.668 8.840 0.377) 9.242 4.887 ( -1.375 6.943 -0.958) 7.143 4.991 ( 1.290 -5.196 -3.551) 6.424 5.011 ( -0.545 -5.750 -4.103) 7.085 6.053 ( 13.264 6.936 3.797) 15.442 6.097 ( 12.018 3.818 3.373) 13.054 6.294 ( -5.602 3.692 5.316) 8.560 6.390 ( -9.518 -3.336 7.895) 12.808 6.881 ( 0.014 5.167 -7.287) 8.933 6.923 ( -4.051 3.649 -6.736) 8.666 7.012 ( 0.919 -8.205 -7.308) 11.026 7.075 ( -4.598 -8.768 -11.594) 15.246 8.710 ( 2.958 19.061 7.311) 20.628 8.775 ( -2.059 24.618 2.557) 24.836 8.895 ( 3.584 -0.732 9.068) 9.778 9.000 ( -5.133 0.176 2.995) 5.946 9.187 ( 4.191 14.342 6.160) 16.162 9.252 ( -0.726 14.944 2.389) 15.151 9.615 ( 5.190 -17.135 2.606) 18.092 9.730 ( -4.761 -19.861 -3.472) 20.717 10.424 ( 11.285 12.680 0.194) 16.975 10.510 ( -1.802 6.810 -1.907) 7.298 10.644 ( 3.263 -0.949 -1.649) 3.777 10.704 ( 1.231 -11.079 -1.409) 11.236 10.893 ( 0.733 -8.937 -3.070) 9.478 10.918 ( 15.307 -10.933 -8.110) 20.484 11.158 ( -18.780 6.638 4.252) 20.368 11.302 ( -17.271 -7.382 0.148) 18.783 11.899 ( 6.032 12.271 -3.264) 14.058 12.036 ( -5.584 11.087 -9.327) 15.527 12.188 ( 2.902 -13.486 -2.676) 14.052 12.326 ( -8.787 -15.135 -9.006) 19.682 12.955 ( 8.647 8.577 9.333) 15.344 13.045 ( 2.386 4.819 4.016) 6.712 13.186 ( 1.201 -8.317 7.238) 11.090 13.261 ( -3.710 -10.695 3.043) 11.722 14.047 ( 12.799 14.786 2.857) 19.764 14.172 ( 6.044 8.727 -2.117) 10.824 14.491 ( -5.749 -11.745 5.209) 14.076 14.595 ( -10.547 -15.552 0.643) 18.802 16.894 ( 3.414 16.103 -2.649) 16.673 16.964 ( -3.121 14.108 -5.433) 15.437 17.199 ( 1.771 -11.862 -3.881) 12.606 17.243 ( -2.189 -12.940 -5.105) 14.081 18.962 ( 5.212 0.129 4.256) 6.730 19.005 ( 4.117 -2.937 3.004) 5.882 19.042 ( -0.253 -0.610 1.856) 1.970 19.083 ( -1.612 -3.559 0.504) 3.940 19.317 ( 1.747 11.497 -0.272) 11.632 19.379 ( -3.514 8.852 -1.931) 9.718 19.572 ( -0.431 -12.119 0.578) 12.141 19.586 ( -1.689 -11.217 0.485) 11.353 20.512 ( 1.882 0.968 0.336) 2.142 20.524 ( 2.217 -0.095 -0.150) 2.224 20.550 ( -1.039 1.776 0.121) 2.061 20.577 ( -2.002 -0.954 -1.049) 2.454 20.806 ( 0.099 9.682 1.177) 9.753 20.841 ( -3.127 8.479 -0.096) 9.037 20.969 ( 0.243 -6.480 1.240) 6.602 20.987 ( -1.438 -6.044 0.673) 6.249 28.163 ( 0.856 3.297 0.342) 3.423 28.179 ( -0.557 2.869 -0.251) 2.933 28.238 ( 0.355 -3.854 0.307) 3.882 28.247 ( -0.453 -3.653 -0.001) 3.682 37.178 ( 7.331 2.282 -0.751) 7.715 37.192 ( 7.674 0.937 -1.522) 7.879 37.336 ( -6.015 1.775 1.017) 6.353 37.362 ( -6.795 -0.822 -0.002) 6.845 38.395 ( 14.542 6.852 -1.685) 16.164 38.456 ( 12.748 1.210 -4.097) 13.445 38.809 ( -18.769 -0.853 2.436) 18.945 38.843 ( -18.148 -3.739 0.887) 18.550 ======================= Grid point 189 (61/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 0.000 -8.903) 8.903 1.463 ( 0.000 0.000 8.903) 8.903 1.718 ( 0.000 0.000 -16.854) 16.854 1.718 ( 0.000 0.000 16.854) 16.854 2.070 ( 0.000 0.000 -5.309) 5.309 2.070 ( 0.000 0.000 5.309) 5.309 2.288 ( 0.000 0.000 -15.084) 15.084 2.288 ( 0.000 0.000 15.084) 15.084 2.830 ( 0.000 0.000 -4.734) 4.734 2.830 ( 0.000 0.000 4.734) 4.734 3.430 ( 0.000 0.000 -2.386) 2.386 3.430 ( 0.000 0.000 2.386) 2.386 4.319 ( 0.000 0.000 -32.547) 32.547 4.319 ( 0.000 0.000 32.547) 32.547 4.412 ( 0.000 0.000 -26.260) 26.260 4.412 ( 0.000 0.000 26.260) 26.260 5.488 ( 0.000 0.000 -13.682) 13.682 5.488 ( 0.000 0.000 13.682) 13.682 5.761 ( 0.000 0.000 -7.352) 7.352 5.761 ( 0.000 0.000 7.352) 7.352 6.848 ( 0.000 0.000 -2.558) 2.558 6.848 ( 0.000 0.000 2.558) 2.558 7.251 ( 0.000 0.000 -32.893) 32.893 7.251 ( 0.000 0.000 32.893) 32.893 7.747 ( 0.000 0.000 -12.121) 12.121 7.747 ( 0.000 0.000 12.121) 12.121 8.915 ( 0.000 0.000 -1.070) 1.070 8.915 ( 0.000 0.000 1.070) 1.070 9.019 ( 0.000 0.000 -17.178) 17.178 9.019 ( 0.000 0.000 17.178) 17.178 9.566 ( 0.000 0.000 -4.590) 4.590 9.566 ( 0.000 0.000 4.590) 4.590 9.994 ( 0.000 0.000 -1.889) 1.889 9.994 ( 0.000 0.000 1.889) 1.889 10.263 ( 0.000 0.000 -5.278) 5.278 10.263 ( 0.000 0.000 5.278) 5.278 10.874 ( 0.000 0.000 -6.259) 6.259 10.874 ( 0.000 0.000 6.259) 6.259 11.847 ( 0.000 0.000 -15.036) 15.036 11.847 ( 0.000 0.000 15.036) 15.036 12.375 ( 0.000 0.000 -7.980) 7.980 12.375 ( 0.000 0.000 7.980) 7.980 12.440 ( 0.000 0.000 -8.608) 8.608 12.440 ( 0.000 0.000 8.608) 8.608 12.797 ( 0.000 0.000 -22.237) 22.237 12.797 ( 0.000 0.000 22.237) 22.237 13.519 ( 0.000 0.000 -2.090) 2.090 13.519 ( 0.000 0.000 2.090) 2.090 14.689 ( 0.000 0.000 -5.564) 5.564 14.689 ( 0.000 0.000 5.564) 5.564 15.870 ( 0.000 0.000 -19.650) 19.650 15.870 ( 0.000 0.000 19.650) 19.650 16.504 ( 0.000 0.000 -21.176) 21.176 16.504 ( 0.000 0.000 21.176) 21.176 16.673 ( 0.000 0.000 -6.241) 6.241 16.673 ( 0.000 0.000 6.241) 6.241 19.008 ( 0.000 0.000 -3.170) 3.170 19.008 ( 0.000 0.000 3.170) 3.170 19.184 ( 0.000 0.000 -10.558) 10.558 19.184 ( 0.000 0.000 10.558) 10.558 19.358 ( 0.000 0.000 -2.249) 2.249 19.358 ( 0.000 0.000 2.249) 2.249 19.780 ( 0.000 0.000 -10.374) 10.374 19.780 ( 0.000 0.000 10.374) 10.374 20.379 ( 0.000 0.000 -0.818) 0.818 20.379 ( 0.000 0.000 0.818) 0.818 20.552 ( 0.000 0.000 -2.981) 2.981 20.552 ( 0.000 0.000 2.981) 2.981 20.576 ( 0.000 0.000 -3.862) 3.862 20.576 ( 0.000 0.000 3.862) 3.862 21.593 ( 0.000 0.000 -5.759) 5.759 21.593 ( 0.000 0.000 5.759) 5.759 28.174 ( 0.000 0.000 -7.203) 7.203 28.174 ( 0.000 0.000 7.203) 7.203 28.337 ( 0.000 0.000 -2.103) 2.103 28.337 ( 0.000 0.000 2.103) 2.103 36.851 ( 0.000 0.000 -2.106) 2.106 36.851 ( 0.000 0.000 2.106) 2.106 37.020 ( 0.000 0.000 -1.466) 1.466 37.020 ( 0.000 0.000 1.466) 1.466 37.648 ( 0.000 0.000 -13.884) 13.884 37.648 ( 0.000 0.000 13.884) 13.884 39.556 ( 0.000 0.000 -2.413) 2.413 39.556 ( 0.000 0.000 2.413) 2.413 ======================= Grid point 191 (62/80) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -4.187 0.000 -15.724) 16.272 1.417 ( -4.187 0.000 15.724) 16.272 1.740 ( 1.957 0.000 -15.263) 15.388 1.740 ( 1.957 0.000 15.263) 15.388 2.066 ( -0.385 0.000 -5.176) 5.190 2.066 ( -0.385 0.000 5.176) 5.190 2.273 ( -1.552 0.000 -9.778) 9.901 2.273 ( -1.552 0.000 9.778) 9.901 2.776 ( -4.489 0.000 -5.238) 6.898 2.776 ( -4.489 0.000 5.238) 6.898 3.472 ( 3.619 0.000 -2.943) 4.665 3.472 ( 3.619 0.000 2.943) 4.665 4.347 ( 2.553 0.000 -29.766) 29.876 4.347 ( 2.553 0.000 29.766) 29.876 4.444 ( 2.832 0.000 -22.947) 23.121 4.444 ( 2.832 0.000 22.947) 23.121 5.498 ( 0.884 0.000 -12.374) 12.406 5.498 ( 0.884 0.000 12.374) 12.406 5.774 ( 1.275 0.000 -6.809) 6.928 5.774 ( 1.275 0.000 6.809) 6.928 6.800 ( -4.473 0.000 -5.262) 6.906 6.800 ( -4.473 0.000 5.262) 6.906 7.223 ( -2.554 0.000 -26.595) 26.717 7.223 ( -2.554 0.000 26.595) 26.717 7.732 ( -1.255 0.000 -10.193) 10.270 7.732 ( -1.255 0.000 10.193) 10.270 8.967 ( 4.638 0.000 -2.153) 5.113 8.967 ( 4.638 0.000 2.153) 5.113 9.136 ( 10.059 0.000 -18.277) 20.862 9.136 ( 10.059 0.000 18.277) 20.862 9.672 ( 10.763 0.000 -6.527) 12.587 9.672 ( 10.763 0.000 6.527) 12.587 9.967 ( -2.421 0.000 -3.410) 4.182 9.967 ( -2.421 0.000 3.410) 4.182 10.225 ( -3.749 0.000 -6.049) 7.117 10.225 ( -3.749 0.000 6.049) 7.117 10.902 ( 2.655 0.000 -6.034) 6.592 10.902 ( 2.655 0.000 6.034) 6.592 11.761 ( -7.041 0.000 -13.677) 15.383 11.761 ( -7.041 0.000 13.677) 15.383 12.194 ( -18.061 0.000 -19.746) 26.760 12.194 ( -18.061 0.000 19.746) 26.760 12.459 ( 6.785 0.000 -9.672) 11.814 12.459 ( 6.785 0.000 9.672) 11.814 12.951 ( 8.970 0.000 -12.458) 15.351 12.951 ( 8.970 0.000 12.458) 15.351 13.517 ( -0.614 0.000 -5.673) 5.706 13.517 ( -0.614 0.000 5.673) 5.706 14.575 ( -9.215 0.000 -11.208) 14.509 14.575 ( -9.215 0.000 11.208) 14.509 15.894 ( 2.157 0.000 -14.783) 14.940 15.894 ( 2.157 0.000 14.783) 14.940 16.464 ( -3.616 0.000 -19.288) 19.624 16.464 ( -3.616 0.000 19.288) 19.624 16.621 ( -4.621 0.000 -9.532) 10.593 16.621 ( -4.621 0.000 9.532) 10.593 19.028 ( 2.067 0.000 -2.844) 3.516 19.028 ( 2.067 0.000 2.844) 3.516 19.213 ( 2.568 0.000 -9.915) 10.242 19.213 ( 2.568 0.000 9.915) 10.242 19.392 ( 2.466 0.000 -1.537) 2.906 19.392 ( 2.466 0.000 1.537) 2.906 19.793 ( 1.241 0.000 -9.727) 9.806 19.793 ( 1.241 0.000 9.727) 9.806 20.371 ( -0.779 0.000 -1.808) 1.969 20.371 ( -0.779 0.000 1.808) 1.969 20.529 ( -2.089 0.000 -2.827) 3.515 20.529 ( -2.089 0.000 2.827) 3.515 20.580 ( 0.435 0.000 -3.972) 3.996 20.580 ( 0.435 0.000 3.972) 3.996 21.584 ( -0.812 0.000 -6.442) 6.493 21.584 ( -0.812 0.000 6.442) 6.493 28.151 ( -1.722 0.000 -4.934) 5.226 28.151 ( -1.722 0.000 4.934) 5.226 28.376 ( 3.038 0.000 -0.595) 3.095 28.376 ( 3.038 0.000 0.595) 3.095 36.859 ( 0.756 0.000 -2.113) 2.244 36.859 ( 0.756 0.000 2.113) 2.244 37.011 ( -0.817 0.000 -1.551) 1.754 37.011 ( -0.817 0.000 1.551) 1.754 37.725 ( 6.989 0.000 -13.931) 15.586 37.725 ( 6.989 0.000 13.931) 15.586 39.450 ( -9.546 0.000 -4.245) 10.448 39.450 ( -9.546 0.000 4.245) 10.448 ======================= Grid point 193 (63/80) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -7.075 0.000 -26.791) 27.709 1.299 ( -7.075 0.000 26.791) 27.709 1.789 ( 2.494 0.000 -10.966) 11.246 1.789 ( 2.494 0.000 10.966) 11.246 2.055 ( -0.631 0.000 -4.453) 4.498 2.055 ( -0.631 0.000 4.453) 4.498 2.245 ( -0.172 0.000 -7.395) 7.397 2.245 ( -0.172 0.000 7.395) 7.397 2.671 ( -5.534 0.000 -5.668) 7.922 2.671 ( -5.534 0.000 5.668) 7.922 3.554 ( 3.744 0.000 -2.581) 4.547 3.554 ( 3.744 0.000 2.581) 4.547 4.412 ( 3.351 0.000 -21.329) 21.590 4.412 ( 3.351 0.000 21.329) 21.590 4.511 ( 3.257 0.000 -15.224) 15.569 4.511 ( 3.257 0.000 15.224) 15.569 5.517 ( 0.737 0.000 -8.547) 8.579 5.517 ( 0.737 0.000 8.547) 8.579 5.811 ( 2.170 0.000 -5.295) 5.723 5.811 ( 2.170 0.000 5.295) 5.723 6.682 ( -6.379 0.000 -6.994) 9.467 6.682 ( -6.379 0.000 6.994) 9.467 7.162 ( -2.903 0.000 -14.795) 15.078 7.162 ( -2.903 0.000 14.795) 15.078 7.706 ( -1.057 0.000 -6.165) 6.255 7.706 ( -1.057 0.000 6.165) 6.255 9.081 ( 5.773 0.000 -3.052) 6.530 9.081 ( 5.773 0.000 3.052) 6.530 9.363 ( 10.991 0.000 -13.991) 17.791 9.363 ( 10.991 0.000 13.991) 17.791 9.905 ( -3.300 0.000 -4.171) 5.318 9.905 ( -3.300 0.000 4.171) 5.318 9.970 ( 8.343 0.000 -7.210) 11.027 9.970 ( 8.343 0.000 7.210) 11.027 10.163 ( 7.228 0.000 -19.607) 20.896 10.163 ( 7.228 0.000 19.607) 20.896 10.974 ( 3.968 0.000 -5.332) 6.647 10.974 ( 3.968 0.000 5.332) 6.647 11.605 ( -7.413 0.000 -10.433) 12.798 11.605 ( -7.413 0.000 10.433) 12.798 11.778 ( -22.215 0.000 -24.144) 32.809 11.778 ( -22.215 0.000 24.144) 32.809 12.603 ( 6.374 0.000 -8.322) 10.482 12.603 ( 6.374 0.000 8.322) 10.482 13.086 ( 4.219 0.000 -6.825) 8.024 13.086 ( 4.219 0.000 6.825) 8.024 13.455 ( -6.035 0.000 -11.133) 12.664 13.455 ( -6.035 0.000 11.133) 12.664 14.422 ( -3.518 0.000 -11.860) 12.371 14.422 ( -3.518 0.000 11.860) 12.371 15.948 ( 2.823 0.000 -6.866) 7.424 15.948 ( 2.823 0.000 6.866) 7.424 16.375 ( -4.450 0.000 -13.712) 14.416 16.375 ( -4.450 0.000 13.712) 14.416 16.506 ( -6.016 0.000 -8.890) 10.735 16.506 ( -6.016 0.000 8.890) 10.735 19.093 ( 4.021 0.000 -1.776) 4.396 19.093 ( 4.021 0.000 1.776) 4.396 19.274 ( 2.940 0.000 -7.424) 7.985 19.274 ( 2.940 0.000 7.424) 7.985 19.426 ( 0.431 0.000 -1.294) 1.363 19.426 ( 0.431 0.000 1.294) 1.363 19.829 ( 2.143 0.000 -7.359) 7.664 19.829 ( 2.143 0.000 7.359) 7.664 20.351 ( -1.055 0.000 -2.065) 2.319 20.351 ( -1.055 0.000 2.065) 2.319 20.473 ( -3.076 0.000 -2.261) 3.818 20.473 ( -3.076 0.000 2.261) 3.818 20.592 ( 0.667 0.000 -3.305) 3.371 20.592 ( 0.667 0.000 3.305) 3.371 21.565 ( -0.902 0.000 -5.738) 5.808 21.565 ( -0.902 0.000 5.738) 5.808 28.119 ( -1.240 0.000 -2.442) 2.739 28.119 ( -1.240 0.000 2.442) 2.739 28.437 ( 2.561 0.000 -0.376) 2.588 28.437 ( 2.561 0.000 0.376) 2.588 36.881 ( 1.361 0.000 -2.099) 2.502 36.881 ( 1.361 0.000 2.099) 2.502 36.988 ( -1.437 0.000 -1.732) 2.250 36.988 ( -1.437 0.000 1.732) 2.250 37.905 ( 9.640 0.000 -12.436) 15.734 37.905 ( 9.640 0.000 12.436) 15.734 39.210 ( -12.475 0.000 -6.491) 14.063 39.210 ( -12.475 0.000 6.491) 14.063 ======================= Grid point 195 (64/80) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -4.352 0.000 -14.691) 15.322 1.165 ( -4.352 0.000 14.691) 15.322 1.830 ( 1.173 0.000 -4.223) 4.383 1.830 ( 1.173 0.000 4.223) 4.383 2.043 ( -0.377 0.000 -2.025) 2.060 2.043 ( -0.377 0.000 2.025) 2.060 2.277 ( 2.298 0.000 -6.782) 7.161 2.277 ( 2.298 0.000 6.782) 7.161 2.563 ( -4.002 0.000 -4.450) 5.985 2.563 ( -4.002 0.000 4.450) 5.985 3.610 ( 1.464 0.000 -1.007) 1.777 3.610 ( 1.464 0.000 1.007) 1.777 4.467 ( 1.556 0.000 -7.836) 7.989 4.467 ( 1.556 0.000 7.836) 7.989 4.562 ( 1.420 0.000 -5.353) 5.538 4.562 ( 1.420 0.000 5.353) 5.538 5.526 ( 0.186 0.000 -3.024) 3.030 5.526 ( 0.186 0.000 3.024) 3.030 5.851 ( 1.342 0.000 -2.311) 2.672 5.851 ( 1.342 0.000 2.311) 2.672 6.573 ( -3.284 0.000 -3.600) 4.873 6.573 ( -3.284 0.000 3.600) 4.873 7.118 ( -1.144 0.000 -4.519) 4.662 7.118 ( -1.144 0.000 4.519) 4.662 7.691 ( -0.343 0.000 -2.010) 2.040 7.691 ( -0.343 0.000 2.010) 2.040 9.175 ( 2.707 0.000 -1.627) 3.158 9.175 ( 2.707 0.000 1.627) 3.158 9.584 ( 10.423 0.000 -8.206) 13.266 9.584 ( 10.423 0.000 8.206) 13.266 9.843 ( -10.307 0.000 -5.404) 11.637 9.843 ( -10.307 0.000 5.404) 11.637 9.849 ( -1.681 0.000 -2.047) 2.649 9.849 ( -1.681 0.000 2.047) 2.649 10.648 ( 28.120 0.000 -23.811) 36.847 10.648 ( 28.120 0.000 23.811) 36.847 11.046 ( 2.395 0.000 -2.773) 3.664 11.046 ( 2.395 0.000 2.773) 3.664 11.279 ( -25.771 0.000 -24.279) 35.406 11.279 ( -25.771 0.000 24.279) 35.406 11.484 ( -3.602 0.000 -4.574) 5.822 11.484 ( -3.602 0.000 4.574) 5.822 12.698 ( 2.500 0.000 -3.274) 4.120 12.698 ( 2.500 0.000 3.274) 4.120 13.140 ( 1.333 0.000 -2.599) 2.921 13.140 ( 1.333 0.000 2.599) 2.921 13.317 ( -4.972 0.000 -6.936) 8.534 13.317 ( -4.972 0.000 6.936) 8.534 14.417 ( 1.143 0.000 -5.425) 5.544 14.417 ( 1.143 0.000 5.425) 5.544 15.998 ( 1.643 0.000 -1.644) 2.324 15.998 ( 1.643 0.000 1.644) 2.324 16.304 ( -1.968 0.000 -5.013) 5.386 16.304 ( -1.968 0.000 5.013) 5.386 16.402 ( -3.248 0.000 -3.649) 4.886 16.402 ( -3.248 0.000 3.649) 4.886 19.171 ( 2.677 0.000 -0.879) 2.818 19.171 ( 2.677 0.000 0.879) 2.818 19.319 ( 1.203 0.000 -2.774) 3.024 19.319 ( 1.203 0.000 2.774) 3.024 19.414 ( -0.974 0.000 -1.028) 1.416 19.414 ( -0.974 0.000 1.028) 1.416 19.869 ( 1.292 0.000 -2.833) 3.114 19.869 ( 1.292 0.000 2.833) 3.114 20.334 ( -0.478 0.000 -0.898) 1.017 20.334 ( -0.478 0.000 0.898) 1.017 20.420 ( -1.645 0.000 -0.955) 1.902 20.420 ( -1.645 0.000 0.955) 1.902 20.603 ( 0.310 0.000 -1.281) 1.318 20.603 ( 0.310 0.000 1.281) 1.318 21.551 ( -0.375 0.000 -2.299) 2.329 21.551 ( -0.375 0.000 2.299) 2.329 28.102 ( -0.423 0.000 -0.727) 0.841 28.102 ( -0.423 0.000 0.727) 0.841 28.474 ( 0.924 0.000 -0.225) 0.951 28.474 ( 0.924 0.000 0.225) 0.951 36.913 ( 1.526 0.000 -1.830) 2.383 36.913 ( 1.526 0.000 1.830) 2.383 36.955 ( -1.560 0.000 -1.704) 2.310 36.955 ( -1.560 0.000 1.704) 2.310 38.075 ( 5.388 0.000 -5.946) 8.024 38.075 ( 5.388 0.000 5.946) 8.024 38.997 ( -6.554 0.000 -3.985) 7.670 38.997 ( -6.554 0.000 3.985) 7.670 ======================= Grid point 203 (65/80) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 0.072 -5.654) 5.654 1.462 ( 0.000 0.072 5.654) 5.654 1.716 ( 0.000 0.292 -14.927) 14.930 1.716 ( 0.000 0.292 14.927) 14.930 2.050 ( 0.000 0.245 -3.393) 3.402 2.050 ( 0.000 0.245 3.393) 3.402 2.441 ( 0.000 11.906 -8.728) 14.763 2.441 ( 0.000 11.906 8.728) 14.763 2.832 ( 0.000 0.220 -4.951) 4.956 2.832 ( 0.000 0.220 4.951) 4.956 3.386 ( 0.000 -3.775 -2.580) 4.572 3.386 ( 0.000 -3.775 2.580) 4.572 4.430 ( 0.000 2.388 -22.418) 22.544 4.430 ( 0.000 2.388 22.418) 22.544 4.517 ( 0.000 17.175 -28.003) 32.850 4.517 ( 0.000 17.175 28.003) 32.850 5.442 ( 0.000 -2.479 -8.854) 9.195 5.442 ( 0.000 -2.479 8.854) 9.195 5.932 ( 0.000 15.284 -1.621) 15.369 5.932 ( 0.000 15.284 1.621) 15.369 6.878 ( 0.000 2.060 -3.327) 3.913 6.878 ( 0.000 2.060 3.327) 3.913 7.149 ( 0.000 -5.667 -29.129) 29.675 7.149 ( 0.000 -5.667 29.129) 29.675 7.845 ( 0.000 6.518 -11.044) 12.824 7.845 ( 0.000 6.518 11.044) 12.824 8.861 ( 0.000 -3.599 -3.354) 4.920 8.861 ( 0.000 -3.599 3.354) 4.920 8.987 ( 0.000 -3.751 -13.916) 14.413 8.987 ( 0.000 -3.751 13.916) 14.413 9.604 ( 0.000 3.752 -4.359) 5.751 9.604 ( 0.000 3.752 4.359) 5.751 9.895 ( 0.000 -7.728 -6.099) 9.845 9.895 ( 0.000 -7.728 6.099) 9.845 10.392 ( 0.000 10.979 -1.248) 11.050 10.392 ( 0.000 10.979 1.248) 11.050 11.000 ( 0.000 11.701 -6.746) 13.507 11.000 ( 0.000 11.701 6.746) 13.507 11.862 ( 0.000 0.881 -13.311) 13.340 11.862 ( 0.000 0.881 13.311) 13.340 12.387 ( 0.000 1.203 -6.910) 7.014 12.387 ( 0.000 1.203 6.910) 7.014 12.449 ( 0.000 0.905 -8.061) 8.112 12.449 ( 0.000 0.905 8.061) 8.112 12.768 ( 0.000 -3.255 -24.829) 25.042 12.768 ( 0.000 -3.255 24.829) 25.042 13.509 ( 0.000 -0.943 -1.073) 1.428 13.509 ( 0.000 -0.943 1.073) 1.428 14.474 ( 0.000 -21.791 -7.670) 23.102 14.474 ( 0.000 -21.791 7.670) 23.102 15.656 ( 0.000 -17.273 -20.143) 26.535 15.656 ( 0.000 -17.273 20.143) 26.535 16.589 ( 0.000 -2.697 -14.807) 15.050 16.589 ( 0.000 -2.697 14.807) 15.050 16.729 ( 0.000 15.679 -17.242) 23.305 16.729 ( 0.000 15.679 17.242) 23.305 18.967 ( 0.000 -2.991 -1.983) 3.589 18.967 ( 0.000 -2.991 1.983) 3.589 19.215 ( 0.000 0.431 -8.028) 8.040 19.215 ( 0.000 0.431 8.028) 8.040 19.354 ( 0.000 -0.198 -3.737) 3.743 19.354 ( 0.000 -0.198 3.737) 3.743 19.964 ( 0.000 16.086 -12.436) 20.332 19.964 ( 0.000 16.086 12.436) 20.332 20.273 ( 0.000 -11.434 -6.667) 13.236 20.273 ( 0.000 -11.434 6.667) 13.236 20.451 ( 0.000 -1.831 -0.530) 1.906 20.451 ( 0.000 -1.831 0.530) 1.906 20.683 ( 0.000 4.678 -1.539) 4.925 20.683 ( 0.000 4.678 1.539) 4.925 21.475 ( 0.000 -10.589 -3.480) 11.146 21.475 ( 0.000 -10.589 3.480) 11.146 28.170 ( 0.000 -0.383 -6.767) 6.777 28.170 ( 0.000 -0.383 6.767) 6.777 28.327 ( 0.000 -0.976 -1.999) 2.225 28.327 ( 0.000 -0.976 1.999) 2.225 36.868 ( 0.000 1.148 -1.893) 2.214 36.868 ( 0.000 1.148 1.893) 2.214 37.151 ( 0.000 12.149 -5.095) 13.174 37.151 ( 0.000 12.149 5.095) 13.174 37.665 ( 0.000 1.738 -13.880) 13.988 37.665 ( 0.000 1.738 13.880) 13.988 39.583 ( 0.000 2.679 -0.117) 2.682 39.583 ( 0.000 2.679 0.117) 2.682 ======================= Grid point 205 (66/80) ======================= q-point: ( 0.14 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -3.216 1.085 -14.323) 14.720 1.420 ( -3.216 1.085 14.323) 14.720 1.760 ( 3.595 1.237 -13.107) 13.647 1.760 ( 3.595 1.237 13.107) 13.647 2.041 ( -0.887 0.164 -3.317) 3.437 2.041 ( -0.887 0.164 3.317) 3.437 2.411 ( -3.081 10.477 -4.881) 11.962 2.411 ( -3.081 10.477 4.881) 11.962 2.784 ( -3.869 0.967 -5.509) 6.800 2.784 ( -3.869 0.967 5.509) 6.800 3.424 ( 3.264 -4.149 -3.090) 6.117 3.424 ( 3.264 -4.149 3.090) 6.117 4.455 ( 2.355 2.698 -18.601) 18.942 4.455 ( 2.355 2.698 18.601) 18.942 4.551 ( 2.901 16.695 -26.957) 31.840 4.551 ( 2.901 16.695 26.957) 31.840 5.444 ( 0.220 -2.640 -7.710) 8.152 5.444 ( 0.220 -2.640 7.710) 8.152 5.958 ( 2.458 15.946 -2.538) 16.332 5.958 ( 2.458 15.946 2.538) 16.332 6.794 ( -6.813 -0.675 -5.959) 9.076 6.794 ( -6.813 -0.675 5.959) 9.076 7.181 ( 1.642 -1.673 -23.726) 23.841 7.181 ( 1.642 -1.673 23.726) 23.841 7.795 ( -3.859 4.251 -7.832) 9.711 7.795 ( -3.859 4.251 7.832) 9.711 8.872 ( 2.610 -5.475 -2.664) 6.624 8.872 ( 2.610 -5.475 2.664) 6.624 9.181 ( 15.444 0.784 -15.166) 21.660 9.181 ( 15.444 0.784 15.166) 21.660 9.650 ( 4.095 -1.085 -4.308) 6.041 9.650 ( 4.095 -1.085 4.308) 6.041 9.886 ( 0.199 -5.868 -7.447) 9.483 9.886 ( 0.199 -5.868 7.447) 9.483 10.359 ( -3.340 11.199 -2.479) 11.946 10.359 ( -3.340 11.199 2.479) 11.946 11.020 ( 1.832 10.956 -6.532) 12.886 11.020 ( 1.832 10.956 6.532) 12.886 11.778 ( -7.032 1.141 -12.325) 14.236 11.778 ( -7.032 1.141 12.325) 14.236 12.176 ( -18.367 -1.862 -18.532) 26.158 12.176 ( -18.367 -1.862 18.532) 26.158 12.480 ( 6.674 2.188 -10.121) 12.319 12.480 ( 6.674 2.188 10.121) 12.319 12.958 ( 11.353 -0.063 -12.002) 16.521 12.958 ( 11.353 -0.063 12.002) 16.521 13.487 ( -2.336 -2.494 -4.986) 6.045 13.487 ( -2.336 -2.494 4.986) 6.045 14.378 ( -7.787 -19.618 -10.904) 23.757 14.378 ( -7.787 -19.618 10.904) 23.757 15.681 ( 1.956 -17.585 -15.253) 23.360 15.681 ( 1.956 -17.585 15.253) 23.360 16.518 ( -5.065 -0.081 -12.736) 13.707 16.518 ( -5.065 -0.081 12.736) 13.707 16.738 ( -0.352 15.302 -16.478) 22.490 16.738 ( -0.352 15.302 16.478) 22.490 19.002 ( 2.964 -2.170 -2.229) 4.297 19.002 ( 2.964 -2.170 2.229) 4.297 19.238 ( 2.167 0.910 -6.708) 7.108 19.238 ( 2.167 0.910 6.708) 7.108 19.369 ( 1.533 -1.976 -4.439) 5.095 19.369 ( 1.533 -1.976 4.439) 5.095 19.943 ( -2.050 12.171 -11.407) 16.806 19.943 ( -2.050 12.171 11.407) 16.806 20.276 ( 0.454 -8.252 -6.088) 10.265 20.276 ( 0.454 -8.252 6.088) 10.265 20.467 ( 1.287 -1.601 -1.223) 2.391 20.467 ( 1.287 -1.601 1.223) 2.391 20.661 ( -1.997 4.222 -1.713) 4.975 20.661 ( -1.997 4.222 1.713) 4.975 21.467 ( -0.756 -10.525 -4.392) 11.430 21.467 ( -0.756 -10.525 4.392) 11.430 28.148 ( -1.677 -0.273 -4.752) 5.047 28.148 ( -1.677 -0.273 4.752) 5.047 28.362 ( 2.739 -1.364 -0.628) 3.123 28.362 ( 2.739 -1.364 0.628) 3.123 36.878 ( 1.029 1.470 -1.916) 2.625 36.878 ( 1.029 1.470 1.916) 2.625 37.135 ( -1.530 11.515 -4.536) 12.471 37.135 ( -1.530 11.515 4.536) 12.471 37.739 ( 6.768 1.450 -13.689) 15.339 37.739 ( 6.768 1.450 13.689) 15.339 39.472 ( -10.069 2.180 -2.215) 10.538 39.472 ( -10.069 2.180 2.215) 10.538 ======================= Grid point 207 (67/80) ======================= q-point: ( 0.29 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -3.162 5.860 -21.651) 22.652 1.353 ( -3.162 5.860 21.651) 22.652 1.839 ( 3.567 3.129 -10.992) 11.972 1.839 ( 3.567 3.129 10.992) 11.972 2.017 ( -1.108 -0.833 -4.300) 4.518 2.017 ( -1.108 -0.833 4.300) 4.518 2.332 ( -3.700 6.100 -6.396) 9.582 2.332 ( -3.700 6.100 6.396) 9.582 2.700 ( -4.082 3.268 -5.762) 7.781 2.700 ( -4.082 3.268 5.762) 7.781 3.498 ( 3.377 -4.923 -2.647) 6.531 3.498 ( 3.377 -4.923 2.647) 6.531 4.519 ( 3.518 2.854 -11.233) 12.112 4.519 ( 3.518 2.854 11.233) 12.112 4.616 ( 2.949 16.183 -21.408) 26.998 4.616 ( 2.949 16.183 21.408) 26.998 5.450 ( 0.266 -2.603 -5.116) 5.747 5.450 ( 0.266 -2.603 5.116) 5.747 6.027 ( 4.001 17.808 -3.883) 18.661 6.027 ( 4.001 17.808 3.883) 18.661 6.636 ( -7.994 -3.181 -6.655) 10.877 6.636 ( -7.994 -3.181 6.655) 10.877 7.184 ( -1.199 1.973 -14.402) 14.586 7.184 ( -1.199 1.973 14.402) 14.586 7.726 ( -2.321 1.425 -3.663) 4.565 7.726 ( -2.321 1.425 3.663) 4.565 8.966 ( 5.924 -7.002 -1.754) 9.338 8.966 ( 5.924 -7.002 1.754) 9.338 9.478 ( 9.231 6.351 -8.843) 14.274 9.478 ( 9.231 6.351 8.843) 14.274 9.709 ( 1.786 -9.344 -3.936) 10.296 9.709 ( 1.786 -9.344 3.936) 10.296 10.048 ( 18.468 -3.047 -15.314) 24.184 10.048 ( 18.468 -3.047 15.314) 24.184 10.250 ( -7.053 11.475 -3.792) 13.993 10.250 ( -7.053 11.475 3.792) 13.993 11.064 ( 1.857 8.339 -6.184) 10.546 11.064 ( 1.857 8.339 6.184) 10.546 11.611 ( -9.131 0.216 -6.337) 11.117 11.611 ( -9.131 0.216 6.337) 11.117 11.774 ( -19.478 -0.430 -19.436) 27.520 11.774 ( -19.478 -0.430 19.436) 27.520 12.627 ( 6.744 2.512 -8.907) 11.451 12.627 ( 6.744 2.512 8.907) 11.451 13.143 ( 6.280 3.669 -3.213) 7.951 13.143 ( 6.280 3.669 3.213) 7.951 13.393 ( -6.865 -4.791 -11.087) 13.892 13.393 ( -6.865 -4.791 11.087) 13.892 14.245 ( -3.527 -16.911 -11.141) 20.556 14.245 ( -3.527 -16.911 11.141) 20.556 15.717 ( 1.330 -18.550 -7.243) 19.958 15.717 ( 1.330 -18.550 7.243) 19.958 16.431 ( -2.758 2.229 -8.824) 9.510 16.431 ( -2.758 2.229 8.824) 9.510 16.699 ( -3.239 18.223 -14.124) 23.282 16.699 ( -3.239 18.223 14.124) 23.282 19.071 ( 3.503 -1.926 -2.146) 4.537 19.071 ( 3.503 -1.926 2.146) 4.537 19.276 ( 0.601 -0.522 -2.591) 2.710 19.276 ( 0.601 -0.522 2.591) 2.710 19.430 ( 4.712 -0.585 -6.407) 7.974 19.430 ( 4.712 -0.585 6.407) 7.974 19.880 ( -4.031 3.694 -8.855) 10.407 19.880 ( -4.031 3.694 8.855) 10.407 20.300 ( 1.983 -2.813 -4.069) 5.330 20.300 ( 1.983 -2.813 4.069) 5.330 20.484 ( -0.356 0.600 -0.645) 0.950 20.484 ( -0.356 0.600 0.645) 0.950 20.616 ( -1.734 2.235 -2.138) 3.546 20.616 ( -1.734 2.235 2.138) 3.546 21.448 ( -0.927 -10.519 -4.250) 11.383 21.448 ( -0.927 -10.519 4.250) 11.383 28.117 ( -1.218 -0.184 -2.442) 2.735 28.117 ( -1.218 -0.184 2.442) 2.735 28.417 ( 2.345 -1.916 -0.327) 3.045 28.417 ( 2.345 -1.916 0.327) 3.045 36.909 ( 1.911 2.408 -1.964) 3.648 36.909 ( 1.911 2.408 1.964) 3.648 37.092 ( -2.501 9.839 -3.464) 10.727 37.092 ( -2.501 9.839 3.464) 10.727 37.917 ( 9.744 1.312 -11.988) 15.504 37.917 ( 9.744 1.312 11.988) 15.504 39.216 ( -13.443 0.642 -5.096) 14.391 39.216 ( -13.443 0.642 5.096) 14.391 ======================= Grid point 209 (68/80) ======================= q-point: ( 0.43 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -1.740 12.405 -11.435) 16.961 1.298 ( -1.740 12.405 11.435) 16.961 1.886 ( 0.882 4.709 -5.047) 6.959 1.886 ( 0.882 4.709 5.047) 6.959 2.011 ( 0.403 -2.142 -2.437) 3.269 2.011 ( 0.403 -2.142 2.437) 3.269 2.283 ( -0.971 0.205 -5.738) 5.823 2.283 ( -0.971 0.205 5.738) 5.823 2.629 ( -2.257 6.324 -3.322) 7.491 2.629 ( -2.257 6.324 3.322) 7.491 3.548 ( 1.322 -5.474 -1.015) 5.722 3.548 ( 1.322 -5.474 1.015) 5.722 4.581 ( 1.915 2.446 -3.688) 4.822 4.581 ( 1.915 2.446 3.688) 4.822 4.658 ( 0.989 16.242 -9.068) 18.628 4.658 ( 0.989 16.242 9.068) 18.628 5.455 ( 0.175 -2.019 -1.859) 2.750 5.455 ( 0.175 -2.019 1.859) 2.750 6.105 ( 2.770 21.101 -2.738) 21.458 6.105 ( 2.770 21.101 2.738) 21.458 6.496 ( -4.528 -6.266 -4.023) 8.715 6.496 ( -4.528 -6.266 4.023) 8.715 7.155 ( -1.013 2.568 -4.581) 5.348 7.155 ( -1.013 2.568 4.581) 5.348 7.699 ( -0.532 0.727 -1.115) 1.434 7.699 ( -0.532 0.727 1.115) 1.434 9.082 ( 4.098 -6.730 -0.587) 7.901 9.082 ( 4.098 -6.730 0.587) 7.901 9.505 ( -2.443 -8.711 -2.503) 9.387 9.505 ( -2.443 -8.711 2.503) 9.387 9.830 ( 8.007 7.447 -3.737) 11.556 9.830 ( 8.007 7.447 3.737) 11.556 10.079 ( -8.317 12.135 -0.614) 14.725 10.079 ( -8.317 12.135 0.614) 14.725 10.558 ( 27.260 -6.941 -21.269) 35.266 10.558 ( 27.260 -6.941 21.269) 35.266 11.018 ( -11.629 -2.240 -8.572) 14.620 11.018 ( -11.629 -2.240 8.572) 14.620 11.346 ( -10.899 5.695 -11.847) 17.076 11.346 ( -10.899 5.695 11.847) 17.076 11.526 ( -4.553 3.158 -2.613) 6.126 11.526 ( -4.553 3.158 2.613) 6.126 12.732 ( 2.896 3.496 -3.601) 5.794 12.732 ( 2.896 3.496 3.601) 5.794 13.209 ( -0.492 -4.703 -3.500) 5.883 13.209 ( -0.492 -4.703 3.500) 5.883 13.269 ( -2.378 5.930 -8.329) 10.497 13.269 ( -2.378 5.930 8.329) 10.497 14.226 ( 0.401 -17.656 -4.809) 18.303 14.226 ( 0.401 -17.656 4.809) 18.303 15.733 ( 0.283 -19.392 -1.842) 19.481 15.733 ( 0.283 -19.392 1.842) 19.481 16.408 ( 0.070 2.877 -2.825) 4.033 16.408 ( 0.070 2.877 2.825) 4.033 16.630 ( -2.547 21.982 -6.361) 23.025 16.630 ( -2.547 21.982 6.361) 23.025 19.137 ( 2.437 -2.797 -1.240) 3.911 19.137 ( 2.437 -2.797 1.240) 3.911 19.262 ( -1.312 -3.668 -0.616) 3.944 19.262 ( -1.312 -3.668 0.616) 3.944 19.538 ( 4.384 8.522 -4.482) 10.580 19.538 ( 4.384 8.522 4.482) 10.580 19.792 ( -3.618 -6.750 -4.883) 9.083 19.792 ( -3.618 -6.750 4.883) 9.083 20.358 ( 3.458 0.176 -2.035) 4.016 20.358 ( 3.458 0.176 2.035) 4.016 20.439 ( -3.502 3.478 -0.798) 5.000 20.439 ( -3.502 3.478 0.798) 5.000 20.603 ( 0.057 0.080 -1.123) 1.127 20.603 ( 0.057 0.080 1.123) 1.127 21.433 ( -0.416 -10.644 -1.757) 10.796 21.433 ( -0.416 -10.644 1.757) 10.796 28.100 ( -0.411 -0.135 -0.744) 0.861 28.100 ( -0.411 -0.135 0.744) 0.861 28.451 ( 0.857 -2.209 -0.203) 2.378 28.451 ( 0.857 -2.209 0.203) 2.378 36.952 ( 1.907 3.669 -1.594) 4.431 36.952 ( 1.907 3.669 1.594) 4.431 37.040 ( -2.165 7.951 -2.061) 8.494 37.040 ( -2.165 7.951 2.061) 8.494 38.094 ( 5.786 2.104 -5.808) 8.464 38.094 ( 5.786 2.104 5.808) 8.464 38.983 ( -7.309 -1.396 -3.585) 8.260 38.983 ( -7.309 -1.396 3.585) 8.260 ======================= Grid point 217 (69/80) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 1.091 -1.760) 2.071 1.473 ( 0.000 1.091 1.760) 2.071 1.751 ( 0.000 3.483 -9.861) 10.458 1.751 ( 0.000 3.483 9.861) 10.458 2.077 ( 0.000 1.714 -2.562) 3.083 2.077 ( 0.000 1.714 2.562) 3.083 2.664 ( 0.000 10.112 -2.420) 10.397 2.664 ( 0.000 10.112 2.420) 10.397 2.842 ( 0.000 1.054 -5.887) 5.981 2.842 ( 0.000 1.054 5.887) 5.981 3.307 ( 0.000 -4.144 -2.546) 4.864 3.307 ( 0.000 -4.144 2.546) 4.864 4.496 ( 0.000 4.626 -16.695) 17.324 4.496 ( 0.000 4.626 16.695) 17.324 4.836 ( 0.000 12.320 -17.879) 21.713 4.836 ( 0.000 12.320 17.879) 21.713 5.435 ( 0.000 1.889 -7.976) 8.197 5.435 ( 0.000 1.889 7.976) 8.197 6.264 ( 0.000 15.961 -3.330) 16.305 6.264 ( 0.000 15.961 3.330) 16.305 6.841 ( 0.000 -4.979 -10.528) 11.646 6.841 ( 0.000 -4.979 10.528) 11.646 7.252 ( 0.000 17.913 -16.799) 24.558 7.252 ( 0.000 17.913 16.799) 24.558 7.924 ( 0.000 2.655 -5.042) 5.698 7.924 ( 0.000 2.655 5.042) 5.698 8.830 ( 0.000 0.269 -1.706) 1.727 8.830 ( 0.000 0.269 1.706) 1.727 8.897 ( 0.000 -4.371 -9.478) 10.437 8.897 ( 0.000 -4.371 9.478) 10.437 9.655 ( 0.000 -2.377 -0.713) 2.481 9.655 ( 0.000 -2.377 0.713) 2.481 9.788 ( 0.000 0.658 -8.522) 8.548 9.788 ( 0.000 0.658 8.522) 8.548 10.638 ( 0.000 13.946 -0.573) 13.957 10.638 ( 0.000 13.946 0.573) 13.957 11.244 ( 0.000 11.212 -5.432) 12.458 11.244 ( 0.000 11.212 5.432) 12.458 11.847 ( 0.000 -3.311 -10.641) 11.144 11.847 ( 0.000 -3.311 10.641) 11.144 12.397 ( 0.000 -2.706 -4.503) 5.254 12.397 ( 0.000 -2.706 4.503) 5.254 12.468 ( 0.000 1.365 -7.952) 8.069 12.468 ( 0.000 1.365 7.952) 8.069 12.680 ( 0.000 -4.328 -25.532) 25.896 12.680 ( 0.000 -4.328 25.532) 25.896 13.471 ( 0.000 -4.666 -1.870) 5.027 13.471 ( 0.000 -4.666 1.870) 5.027 13.948 ( 0.000 -26.925 -7.677) 27.998 13.948 ( 0.000 -26.925 7.677) 27.998 15.334 ( 0.000 -14.672 -14.167) 20.395 15.334 ( 0.000 -14.672 14.167) 20.395 16.577 ( 0.000 2.715 -15.402) 15.640 16.577 ( 0.000 2.715 15.402) 15.640 17.066 ( 0.000 16.559 -16.660) 23.489 17.066 ( 0.000 16.559 16.660) 23.489 18.909 ( 0.000 -2.962 -0.864) 3.085 18.909 ( 0.000 -2.962 0.864) 3.085 19.141 ( 0.000 -8.330 -4.021) 9.250 19.141 ( 0.000 -8.330 4.021) 9.250 19.360 ( 0.000 0.959 -4.808) 4.903 19.360 ( 0.000 0.959 4.808) 4.903 19.955 ( 0.000 -13.059 -5.952) 14.351 19.955 ( 0.000 -13.059 5.952) 14.351 20.362 ( 0.000 16.095 -9.022) 18.451 20.362 ( 0.000 16.095 9.022) 18.451 20.444 ( 0.000 0.434 -0.194) 0.476 20.444 ( 0.000 0.434 0.194) 0.476 20.768 ( 0.000 5.074 -1.045) 5.180 20.768 ( 0.000 5.074 1.045) 5.180 21.256 ( 0.000 -10.820 -0.908) 10.858 21.256 ( 0.000 -10.820 0.908) 10.858 28.162 ( 0.000 -0.477 -5.542) 5.562 28.162 ( 0.000 -0.477 5.542) 5.562 28.302 ( 0.000 -1.503 -1.662) 2.241 28.302 ( 0.000 -1.503 1.662) 2.241 36.888 ( 0.000 0.904 -1.054) 1.388 36.888 ( 0.000 0.904 1.054) 1.388 37.401 ( 0.000 11.995 -10.139) 15.706 37.401 ( 0.000 11.995 10.139) 15.706 37.710 ( 0.000 2.715 -14.416) 14.670 37.710 ( 0.000 2.715 14.416) 14.670 39.649 ( 0.000 3.776 -3.959) 5.471 39.649 ( 0.000 3.776 3.959) 5.471 ======================= Grid point 219 (70/80) ======================= q-point: ( 0.14 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 0.349 3.637 -8.728) 9.462 1.470 ( 0.349 3.637 8.728) 9.462 1.789 ( 3.240 2.384 -8.845) 9.716 1.789 ( 3.240 2.384 8.845) 9.716 2.074 ( -0.440 2.110 -2.138) 3.036 2.074 ( -0.440 2.110 2.138) 3.036 2.593 ( -6.600 7.327 -1.483) 9.972 2.593 ( -6.600 7.327 1.483) 9.972 2.825 ( -1.220 3.604 -5.893) 7.015 2.825 ( -1.220 3.604 5.893) 7.015 3.337 ( 2.467 -4.633 -3.041) 6.066 3.337 ( 2.467 -4.633 3.041) 6.066 4.521 ( 2.390 4.623 -14.031) 14.965 4.521 ( 2.390 4.623 14.031) 14.965 4.861 ( 2.078 11.480 -17.389) 20.940 4.861 ( 2.078 11.480 17.389) 20.940 5.452 ( 1.700 3.628 -7.692) 8.673 5.452 ( 1.700 3.628 7.692) 8.673 6.291 ( 2.364 15.479 -3.516) 16.048 6.291 ( 2.364 15.479 3.516) 16.048 6.780 ( -5.084 -0.575 -8.536) 9.952 6.780 ( -5.084 -0.575 8.536) 9.952 7.263 ( 0.100 11.748 -16.676) 20.399 7.263 ( 0.100 11.748 16.676) 20.399 7.849 ( -5.376 3.075 -1.744) 6.434 7.849 ( -5.376 3.075 1.744) 6.434 8.831 ( 1.780 1.307 -2.670) 3.465 8.831 ( 1.780 1.307 2.670) 3.465 9.136 ( 19.077 -4.405 -12.375) 23.162 9.136 ( 19.077 -4.405 12.375) 23.162 9.615 ( -3.180 -3.827 -2.451) 5.546 9.615 ( -3.180 -3.827 2.451) 5.546 9.830 ( 4.112 1.512 -9.316) 10.295 9.830 ( 4.112 1.512 9.316) 10.295 10.601 ( -3.697 13.256 -1.025) 13.800 10.601 ( -3.697 13.256 1.025) 13.800 11.250 ( 0.473 10.580 -5.746) 12.049 11.250 ( 0.473 10.580 5.746) 12.049 11.772 ( -6.569 -2.582 -11.308) 13.330 11.772 ( -6.569 -2.582 11.308) 13.330 12.123 ( -18.322 -3.671 -15.086) 24.016 12.123 ( -18.322 -3.671 15.086) 24.016 12.542 ( 6.445 3.980 -11.625) 13.875 12.542 ( 6.445 3.980 11.625) 13.875 12.896 ( 11.968 -7.545 -8.867) 16.697 12.896 ( 11.968 -7.545 8.867) 16.697 13.439 ( -2.490 -3.146 -4.152) 5.774 13.439 ( -2.490 -3.146 4.152) 5.774 13.917 ( -2.497 -23.151 -7.825) 24.565 13.917 ( -2.497 -23.151 7.825) 24.565 15.336 ( 0.070 -16.471 -11.088) 19.856 15.336 ( 0.070 -16.471 11.088) 19.856 16.545 ( -2.478 4.067 -13.526) 14.340 16.545 ( -2.478 4.067 13.526) 14.340 17.071 ( 0.181 16.446 -16.497) 23.295 17.071 ( 0.181 16.446 16.497) 23.295 18.955 ( 3.739 -2.590 -0.971) 4.650 18.955 ( 3.739 -2.590 0.971) 4.650 19.177 ( 3.623 -8.563 -3.974) 10.112 19.177 ( 3.623 -8.563 3.974) 10.112 19.340 ( -1.804 -0.077 -4.624) 4.964 19.340 ( -1.804 -0.077 4.624) 4.964 19.940 ( -1.469 -10.226 -5.075) 11.511 19.940 ( -1.469 -10.226 5.075) 11.511 20.356 ( -0.519 13.837 -7.117) 15.569 20.356 ( -0.519 13.837 7.117) 15.569 20.457 ( 1.250 0.060 -0.692) 1.430 20.457 ( 1.250 0.060 0.692) 1.430 20.739 ( -2.657 4.542 -1.077) 5.371 20.739 ( -2.657 4.542 1.077) 5.371 21.251 ( -0.471 -10.396 -2.016) 10.601 21.251 ( -0.471 -10.396 2.016) 10.601 28.143 ( -1.401 -0.115 -4.109) 4.343 28.143 ( -1.401 -0.115 4.109) 4.343 28.327 ( 2.001 -2.115 -0.692) 2.993 28.327 ( 2.001 -2.115 0.692) 2.993 36.907 ( 1.822 1.372 -1.120) 2.541 36.907 ( 1.822 1.372 1.120) 2.541 37.376 ( -2.507 11.719 -8.338) 14.599 37.376 ( -2.507 11.719 8.338) 14.599 37.778 ( 6.387 2.409 -13.118) 14.787 37.778 ( 6.387 2.409 13.118) 14.787 39.527 ( -11.184 3.231 -2.123) 11.834 39.527 ( -11.184 3.231 2.123) 11.834 ======================= Grid point 221 (71/80) ======================= q-point: ( 0.29 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 3.001 8.725 -12.329) 15.399 1.505 ( 3.001 8.725 12.329) 15.399 1.867 ( 4.130 0.935 -7.244) 8.391 1.867 ( 4.130 0.935 7.244) 8.391 2.055 ( -1.498 3.118 -2.508) 4.273 2.055 ( -1.498 3.118 2.508) 4.273 2.426 ( -8.571 3.567 -5.645) 10.865 2.426 ( -8.571 3.567 5.645) 10.865 2.799 ( -1.313 6.485 -4.641) 8.082 2.799 ( -1.313 6.485 4.641) 8.082 3.390 ( 2.397 -5.854 -2.578) 6.831 3.390 ( 2.397 -5.854 2.578) 6.831 4.586 ( 3.571 4.652 -8.724) 10.512 4.586 ( 3.571 4.652 8.724) 10.512 4.904 ( 1.696 9.417 -13.751) 16.753 4.904 ( 1.696 9.417 13.751) 16.753 5.506 ( 3.360 8.786 -6.383) 11.367 5.506 ( 3.360 8.786 6.383) 11.367 6.337 ( 1.382 9.480 -3.997) 10.381 6.337 ( 1.382 9.480 3.997) 10.381 6.671 ( -4.685 9.435 -5.910) 12.078 6.671 ( -4.685 9.435 5.910) 12.078 7.230 ( -3.053 2.594 -12.543) 13.167 7.230 ( -3.053 2.594 12.543) 13.167 7.767 ( -2.191 5.542 -0.522) 5.982 7.767 ( -2.191 5.542 0.522) 5.982 8.897 ( 4.399 0.161 -3.224) 5.456 8.897 ( 4.399 0.161 3.224) 5.456 9.438 ( -0.523 -8.212 -5.006) 9.631 9.438 ( -0.523 -8.212 5.006) 9.631 9.668 ( 15.947 2.125 -7.172) 17.614 9.668 ( 15.947 2.125 7.172) 17.614 9.991 ( 13.469 -0.931 -15.619) 20.646 9.991 ( 13.469 -0.931 15.619) 20.646 10.485 ( -7.366 11.729 -0.447) 13.857 10.485 ( -7.366 11.729 0.447) 13.857 11.241 ( -2.903 7.909 -6.385) 10.571 11.241 ( -2.903 7.909 6.385) 10.571 11.598 ( -10.152 -1.184 -7.661) 12.773 11.598 ( -10.152 -1.184 7.661) 12.773 11.759 ( -14.895 -1.268 -14.257) 20.658 11.759 ( -14.895 -1.268 14.257) 20.658 12.691 ( 7.238 3.246 -9.507) 12.382 12.691 ( 7.238 3.246 9.507) 12.382 13.029 ( -0.447 -15.220 -6.773) 16.665 13.029 ( -0.447 -15.220 6.773) 16.665 13.433 ( 3.286 7.630 -8.044) 11.564 13.433 ( 3.286 7.630 8.044) 11.564 13.869 ( -1.841 -18.597 -6.848) 19.903 13.869 ( -1.841 -18.597 6.848) 19.903 15.332 ( -0.452 -19.962 -5.351) 20.672 15.332 ( -0.452 -19.962 5.351) 20.672 16.502 ( -1.357 5.661 -8.675) 10.447 16.502 ( -1.357 5.661 8.675) 10.447 17.065 ( -0.842 17.300 -13.366) 21.878 17.065 ( -0.842 17.300 13.366) 21.878 19.031 ( 3.269 -2.125 -1.505) 4.179 19.031 ( 3.269 -2.125 1.505) 4.179 19.253 ( -0.548 -2.451 -0.208) 2.520 19.253 ( -0.548 -2.451 0.208) 2.520 19.330 ( 4.894 -9.262 -6.061) 12.103 19.330 ( 4.894 -9.262 6.061) 12.103 19.891 ( -3.430 -3.040 -3.041) 5.500 19.891 ( -3.430 -3.040 3.041) 5.500 20.348 ( 0.018 7.886 -3.298) 8.548 20.348 ( 0.018 7.886 3.298) 8.548 20.491 ( 1.817 0.171 -0.774) 1.982 20.491 ( 1.817 0.171 0.774) 1.982 20.672 ( -3.503 3.516 -0.729) 5.016 20.672 ( -3.503 3.516 0.729) 5.016 21.237 ( -0.819 -9.723 -2.160) 9.993 21.237 ( -0.819 -9.723 2.160) 9.993 28.116 ( -1.060 0.303 -2.260) 2.514 28.116 ( -1.060 0.303 2.260) 2.514 28.369 ( 1.778 -3.004 -0.294) 3.503 28.369 ( 1.778 -3.004 0.294) 3.503 36.961 ( 3.413 2.747 -1.338) 4.581 36.961 ( 3.413 2.747 1.338) 4.581 37.302 ( -4.499 10.275 -5.341) 12.423 37.302 ( -4.499 10.275 5.341) 12.423 37.958 ( 10.497 2.860 -10.453) 15.088 37.958 ( 10.497 2.860 10.453) 15.088 39.234 ( -15.877 1.184 -2.234) 16.077 39.234 ( -15.877 1.184 2.234) 16.077 ======================= Grid point 223 (72/80) ======================= q-point: ( 0.43 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 2.219 13.572 -6.476) 15.200 1.568 ( 2.219 13.572 6.476) 15.200 1.949 ( 3.298 1.215 -6.413) 7.312 1.949 ( 3.298 1.215 6.413) 7.312 2.015 ( -2.058 2.928 -5.162) 6.282 2.015 ( -2.058 2.928 5.162) 6.282 2.284 ( -4.252 0.147 -4.840) 6.444 2.284 ( -4.252 0.147 4.840) 6.444 2.776 ( -0.706 8.089 -1.868) 8.332 2.776 ( -0.706 8.089 1.868) 8.332 3.426 ( 0.902 -6.874 -0.974) 7.001 3.426 ( 0.902 -6.874 0.974) 7.001 4.648 ( 1.863 4.638 -3.079) 5.871 4.648 ( 1.863 4.638 3.079) 5.871 4.924 ( 0.387 7.726 -5.444) 9.460 4.924 ( 0.387 7.726 5.444) 9.460 5.571 ( 2.249 14.765 -2.947) 15.223 5.571 ( 2.249 14.765 2.947) 15.223 6.337 ( -0.810 -3.526 -1.766) 4.026 6.337 ( -0.810 -3.526 1.766) 4.026 6.611 ( -1.174 22.708 -2.482) 22.874 6.611 ( -1.174 22.708 2.482) 22.874 7.170 ( -1.900 -1.766 -4.309) 5.030 7.170 ( -1.900 -1.766 4.309) 5.030 7.746 ( -0.251 6.752 -0.552) 6.779 7.746 ( -0.251 6.752 0.552) 6.779 8.991 ( 3.615 -2.088 -1.659) 4.493 8.991 ( 3.615 -2.088 1.659) 4.493 9.346 ( -4.218 -6.790 -0.762) 8.030 9.346 ( -4.218 -6.790 0.762) 8.030 9.963 ( 10.558 3.871 -1.489) 11.344 9.963 ( 10.558 3.871 1.489) 11.344 10.256 ( -4.700 4.826 -7.890) 10.375 10.256 ( -4.700 4.826 7.890) 10.375 10.484 ( 22.464 1.740 -14.392) 26.736 10.484 ( 22.464 1.740 14.392) 26.736 10.993 ( -21.744 -0.085 -10.402) 24.105 10.993 ( -21.744 -0.085 10.402) 24.105 11.466 ( -0.679 6.276 -4.931) 8.010 11.466 ( -0.679 6.276 4.931) 8.010 11.558 ( -5.595 -0.385 -3.513) 6.618 11.558 ( -5.595 -0.385 3.513) 6.618 12.817 ( 4.594 3.366 -4.005) 6.962 12.817 ( 4.594 3.366 4.005) 6.962 12.951 ( -4.459 -16.576 -3.783) 17.577 12.951 ( -4.459 -16.576 3.783) 17.577 13.521 ( 3.136 15.439 -4.201) 16.305 13.521 ( 3.136 15.439 4.201) 16.305 13.844 ( -0.610 -19.375 -3.316) 19.666 13.844 ( -0.610 -19.375 3.316) 19.666 15.322 ( -0.341 -22.405 -1.491) 22.457 15.322 ( -0.341 -22.405 1.491) 22.457 16.489 ( -0.077 5.847 -2.788) 6.478 16.489 ( -0.077 5.847 2.788) 6.478 17.045 ( -0.734 18.844 -5.329) 19.597 17.045 ( -0.734 18.844 5.329) 19.597 19.091 ( 2.484 -1.537 -1.186) 3.153 19.091 ( 2.484 -1.537 1.186) 3.153 19.196 ( -2.901 -2.896 -0.530) 4.133 19.196 ( -2.901 -2.896 0.530) 4.133 19.469 ( 5.503 -14.698 -3.043) 15.986 19.469 ( 5.503 -14.698 3.043) 15.986 19.809 ( -3.568 5.812 -1.823) 7.060 19.809 ( -3.568 5.812 1.823) 7.060 20.357 ( 0.586 2.118 -0.602) 2.279 20.357 ( 0.586 2.118 0.602) 2.279 20.518 ( 0.632 3.032 -0.354) 3.118 20.518 ( 0.632 3.032 0.354) 3.118 20.614 ( -1.639 1.347 -0.254) 2.137 20.614 ( -1.639 1.347 0.254) 2.137 21.223 ( -0.451 -9.390 -0.895) 9.443 21.223 ( -0.451 -9.390 0.895) 9.443 28.102 ( -0.355 0.511 -0.719) 0.951 28.102 ( -0.355 0.511 0.719) 0.951 28.394 ( 0.665 -3.512 -0.163) 3.578 28.394 ( 0.665 -3.512 0.163) 3.578 37.038 ( 3.394 4.822 -1.312) 6.040 37.038 ( 3.394 4.822 1.312) 6.040 37.207 ( -3.920 7.952 -2.562) 9.228 37.207 ( -3.920 7.952 2.562) 9.228 38.164 ( 7.510 5.289 -5.264) 10.587 38.164 ( 7.510 5.289 5.264) 10.587 38.945 ( -9.750 -2.473 -2.665) 10.406 38.945 ( -9.750 -2.473 2.665) 10.406 ======================= Grid point 231 (73/80) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.000 1.523 -0.674) 1.665 1.500 ( 0.000 1.523 0.674) 1.665 1.842 ( 0.000 5.619 -5.315) 7.734 1.842 ( 0.000 5.619 5.315) 7.734 2.093 ( 0.000 -0.436 -1.037) 1.125 2.093 ( 0.000 -0.436 1.037) 1.125 2.785 ( 0.000 2.137 -0.425) 2.179 2.785 ( 0.000 2.137 0.425) 2.179 2.907 ( 0.000 5.967 -4.354) 7.387 2.907 ( 0.000 5.967 4.354) 7.387 3.229 ( 0.000 -3.969 -2.626) 4.759 3.229 ( 0.000 -3.969 2.626) 4.759 4.613 ( 0.000 7.502 -7.981) 10.954 4.613 ( 0.000 7.502 7.981) 10.954 4.955 ( 0.000 0.985 -4.697) 4.799 4.955 ( 0.000 0.985 4.697) 4.799 5.481 ( 0.000 1.616 -8.100) 8.260 5.481 ( 0.000 1.616 8.100) 8.260 6.456 ( 0.000 4.577 -7.148) 8.487 6.456 ( 0.000 4.577 7.148) 8.487 6.763 ( 0.000 -2.869 -1.948) 3.468 6.763 ( 0.000 -2.869 1.948) 3.468 7.618 ( 0.000 9.073 -14.856) 17.407 7.618 ( 0.000 9.073 14.856) 17.407 8.171 ( 0.000 31.416 -1.607) 31.457 8.171 ( 0.000 31.416 1.607) 31.457 8.805 ( 0.000 -2.181 -0.515) 2.241 8.805 ( 0.000 -2.181 0.515) 2.241 8.885 ( 0.000 2.048 -2.158) 2.975 8.885 ( 0.000 2.048 2.158) 2.975 9.545 ( 0.000 -6.113 -1.827) 6.380 9.545 ( 0.000 -6.113 1.827) 6.380 9.890 ( 0.000 7.155 -3.445) 7.942 9.890 ( 0.000 7.155 3.445) 7.942 10.897 ( 0.000 11.373 -0.023) 11.373 10.897 ( 0.000 11.373 0.023) 11.373 11.316 ( 0.000 -8.811 -6.723) 11.083 11.316 ( 0.000 -8.811 6.723) 11.083 11.704 ( 0.000 -10.003 -6.906) 12.155 11.704 ( 0.000 -10.003 6.906) 12.155 12.256 ( 0.000 -6.022 -3.497) 6.964 12.256 ( 0.000 -6.022 3.497) 6.964 12.523 ( 0.000 3.649 -11.619) 12.179 12.523 ( 0.000 3.649 11.619) 12.179 12.636 ( 0.000 -2.407 -16.831) 17.003 12.636 ( 0.000 -2.407 16.832) 17.003 13.241 ( 0.000 -14.616 -7.368) 16.368 13.241 ( 0.000 -14.616 7.368) 16.368 13.682 ( 0.000 -2.735 -1.319) 3.037 13.682 ( 0.000 -2.735 1.319) 3.037 15.108 ( 0.000 -8.667 -6.543) 10.860 15.108 ( 0.000 -8.667 6.543) 10.860 16.688 ( 0.000 8.259 -12.758) 15.198 16.688 ( 0.000 8.259 12.758) 15.198 17.295 ( 0.000 5.714 -9.270) 10.890 17.295 ( 0.000 5.714 9.270) 10.890 18.843 ( 0.000 -4.650 -0.558) 4.683 18.843 ( 0.000 -4.650 0.558) 4.683 18.957 ( 0.000 -7.285 -3.008) 7.882 18.957 ( 0.000 -7.285 3.008) 7.882 19.394 ( 0.000 2.720 -5.309) 5.966 19.394 ( 0.000 2.720 5.309) 5.966 19.747 ( 0.000 -8.667 -4.618) 9.821 19.747 ( 0.000 -8.667 4.618) 9.821 20.451 ( 0.000 0.515 -0.090) 0.523 20.451 ( 0.000 0.515 0.090) 0.523 20.574 ( 0.000 5.249 -4.860) 7.154 20.574 ( 0.000 5.249 4.860) 7.154 20.910 ( 0.000 8.925 -4.186) 9.858 20.910 ( 0.000 8.925 4.186) 9.858 21.083 ( 0.000 -6.890 -0.036) 6.890 21.083 ( 0.000 -6.890 0.036) 6.890 28.154 ( 0.000 -0.282 -3.681) 3.692 28.154 ( 0.000 -0.282 3.681) 3.692 28.273 ( 0.000 -1.387 -1.068) 1.750 28.273 ( 0.000 -1.387 1.068) 1.750 36.901 ( 0.000 0.482 -0.325) 0.582 36.901 ( 0.000 0.482 0.325) 0.582 37.585 ( 0.000 7.044 -12.389) 14.251 37.585 ( 0.000 7.044 12.389) 14.251 37.758 ( 0.000 1.871 -14.845) 14.963 37.758 ( 0.000 1.871 14.845) 14.963 39.715 ( 0.000 2.881 -5.058) 5.821 39.715 ( 0.000 2.881 5.058) 5.821 ======================= Grid point 233 (74/80) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 3.676 2.962 -3.216) 5.712 1.537 ( 3.676 2.962 3.216) 5.712 1.861 ( 1.735 4.867 -4.858) 7.092 1.861 ( 1.735 4.867 4.858) 7.092 2.095 ( 0.151 -0.203 -0.851) 0.888 2.095 ( 0.151 -0.203 0.851) 0.888 2.681 ( -8.507 2.339 -2.017) 9.050 2.681 ( -8.507 2.339 2.017) 9.050 2.922 ( 0.566 5.729 -3.553) 6.765 2.922 ( 0.566 5.729 3.553) 6.765 3.249 ( 1.583 -4.354 -2.915) 5.474 3.249 ( 1.583 -4.354 2.915) 5.474 4.639 ( 2.398 7.513 -7.091) 10.605 4.639 ( 2.398 7.513 7.091) 10.605 4.963 ( 0.695 0.536 -5.776) 5.842 4.963 ( 0.695 0.536 5.776) 5.842 5.536 ( 5.290 3.279 -8.492) 10.528 5.536 ( 5.290 3.279 8.492) 10.528 6.480 ( 1.257 5.056 -6.135) 8.049 6.480 ( 1.257 5.056 6.135) 8.049 6.762 ( 0.467 -1.563 -4.043) 4.359 6.762 ( 0.467 -1.563 4.043) 4.359 7.472 ( -11.639 3.357 -9.701) 15.519 7.472 ( -11.639 3.357 9.701) 15.519 8.158 ( -0.953 33.332 -0.702) 33.353 8.158 ( -0.953 33.332 0.702) 33.353 8.891 ( 2.606 4.020 -4.019) 6.253 8.891 ( 2.606 4.020 4.019) 6.253 9.047 ( 17.235 -4.257 -8.244) 19.573 9.047 ( 17.235 -4.257 8.244) 19.573 9.528 ( -0.383 -4.247 -2.149) 4.776 9.528 ( -0.383 -4.247 2.149) 4.776 9.912 ( 2.403 5.889 -6.620) 9.180 9.912 ( 2.403 5.889 6.620) 9.180 10.838 ( -5.671 9.856 -0.469) 11.381 10.838 ( -5.671 9.856 0.469) 11.381 11.295 ( -2.227 -11.178 -7.408) 13.594 11.295 ( -2.227 -11.178 7.408) 13.594 11.675 ( -2.278 -5.059 -8.690) 10.310 11.675 ( -2.278 -5.059 8.690) 10.310 12.067 ( -14.137 -0.031 -9.410) 16.982 12.067 ( -14.137 -0.031 9.410) 16.982 12.590 ( 2.130 -3.800 -16.223) 16.797 12.590 ( 2.130 -3.800 16.223) 16.797 12.711 ( 6.532 -5.065 -11.054) 13.802 12.711 ( 6.532 -5.065 11.054) 13.802 13.298 ( 5.717 -9.716 -8.804) 14.304 13.298 ( 5.717 -9.716 8.804) 14.304 13.685 ( 0.510 -1.915 -4.914) 5.299 13.685 ( 0.510 -1.915 4.914) 5.299 15.076 ( -3.067 -10.230 -5.877) 12.190 15.076 ( -3.067 -10.230 5.877) 12.190 16.677 ( -0.965 9.218 -11.147) 14.497 16.677 ( -0.965 9.218 11.147) 14.497 17.293 ( -0.269 4.909 -9.683) 10.860 17.293 ( -0.269 4.909 9.683) 10.860 18.895 ( 4.461 -4.702 -1.271) 6.604 18.895 ( 4.461 -4.702 1.271) 6.604 18.980 ( 2.415 -7.539 -1.750) 8.108 18.980 ( 2.415 -7.539 1.750) 8.108 19.369 ( -2.466 2.925 -4.788) 6.128 19.369 ( -2.466 2.925 4.788) 6.128 19.760 ( 1.083 -8.417 -4.407) 9.562 19.760 ( 1.083 -8.417 4.407) 9.562 20.459 ( 0.826 0.257 -0.392) 0.949 20.459 ( 0.826 0.257 0.392) 0.949 20.555 ( -1.691 5.568 -4.604) 7.420 20.555 ( -1.691 5.568 4.604) 7.420 20.860 ( -4.193 7.534 -3.897) 9.462 20.860 ( -4.193 7.534 3.897) 9.462 21.093 ( 0.577 -5.744 -1.714) 6.022 21.093 ( 0.577 -5.744 1.714) 6.022 28.145 ( -0.690 0.355 -2.985) 3.085 28.145 ( -0.690 0.355 2.985) 3.085 28.285 ( 0.985 -2.138 -0.725) 2.463 28.285 ( 0.985 -2.138 0.725) 2.463 36.928 ( 2.594 0.808 -0.372) 2.742 36.928 ( 2.594 0.808 0.372) 2.742 37.554 ( -3.202 6.679 -8.436) 11.226 37.554 ( -3.202 6.679 8.436) 11.226 37.823 ( 6.511 2.045 -11.148) 13.071 37.823 ( 6.511 2.045 11.148) 13.071 39.585 ( -12.083 2.594 -3.715) 12.905 39.585 ( -12.083 2.594 3.715) 12.905 ======================= Grid point 235 (75/80) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 6.446 5.307 -5.064) 9.765 1.646 ( 6.446 5.307 5.064) 9.765 1.908 ( 2.709 3.253 -3.849) 5.721 1.908 ( 2.709 3.253 3.849) 5.721 2.095 ( -0.170 0.860 -2.041) 2.222 2.095 ( -0.170 0.860 2.041) 2.222 2.480 ( -10.237 2.271 -3.718) 11.126 2.480 ( -10.237 2.271 3.718) 11.126 2.925 ( -0.150 6.104 -2.570) 6.625 2.925 ( -0.150 6.104 2.570) 6.625 3.278 ( 1.025 -5.661 -2.384) 6.228 3.278 ( 1.025 -5.661 2.384) 6.228 4.701 ( 3.268 7.066 -5.314) 9.426 4.701 ( 3.268 7.066 5.314) 9.426 4.976 ( 0.419 -0.034 -5.606) 5.622 4.976 ( 0.419 -0.034 5.606) 5.622 5.694 ( 9.770 7.964 -6.863) 14.351 5.694 ( 9.770 7.964 6.863) 14.351 6.451 ( -4.650 5.828 -7.338) 10.461 6.451 ( -4.650 5.828 7.338) 10.461 6.809 ( 3.848 0.916 -6.837) 7.899 6.809 ( 3.848 0.916 6.837) 7.899 7.231 ( -10.419 -3.680 -4.894) 12.085 7.231 ( -10.419 -3.680 4.894) 12.085 8.137 ( -1.059 33.539 -0.645) 33.562 8.137 ( -1.059 33.539 0.645) 33.562 8.946 ( 2.753 3.991 -4.034) 6.307 8.946 ( 2.753 3.991 4.034) 6.307 9.284 ( 1.532 -6.978 -2.671) 7.627 9.284 ( 1.532 -6.978 2.671) 7.627 9.675 ( 15.446 -1.698 -2.951) 15.817 9.675 ( 15.446 -1.698 2.951) 15.817 10.029 ( 11.006 4.624 -12.705) 17.434 10.029 ( 11.006 4.624 12.705) 17.434 10.676 ( -9.225 7.188 -0.981) 11.736 10.676 ( -9.225 7.188 0.981) 11.736 11.214 ( -6.095 -13.387 -6.113) 15.929 11.214 ( -6.095 -13.387 6.113) 15.929 11.619 ( -4.881 2.143 -9.305) 10.724 11.619 ( -4.881 2.143 9.305) 10.724 11.756 ( -13.242 3.896 -14.984) 20.373 11.756 ( -13.242 3.896 14.984) 20.373 12.581 ( -2.291 -17.317 -10.721) 20.495 12.581 ( -2.291 -17.317 10.721) 20.495 12.851 ( 6.410 2.345 -7.665) 10.263 12.851 ( 6.410 2.345 7.665) 10.263 13.439 ( 5.921 -9.080 -6.470) 12.624 13.439 ( 5.921 -9.080 6.470) 12.624 13.728 ( 4.461 5.190 -8.149) 10.642 13.728 ( 4.461 5.190 8.149) 10.642 14.991 ( -4.792 -14.589 -4.810) 16.091 14.991 ( -4.792 -14.589 4.810) 16.091 16.656 ( -0.920 10.272 -7.323) 12.649 16.656 ( -0.920 10.272 7.323) 12.649 17.284 ( -0.506 3.735 -8.273) 9.092 17.284 ( -0.506 3.735 8.273) 9.092 18.987 ( 3.979 -2.997 -2.581) 5.610 18.987 ( 3.979 -2.997 2.581) 5.610 19.069 ( 5.904 -9.443 -0.628) 11.155 19.069 ( 5.904 -9.443 0.628) 11.155 19.296 ( -4.339 2.962 -3.620) 6.380 19.296 ( -4.339 2.962 3.620) 6.380 19.784 ( 1.011 -7.867 -3.273) 8.581 19.784 ( 1.011 -7.867 3.273) 8.581 20.482 ( 0.727 1.000 -0.133) 1.244 20.482 ( 0.727 1.000 0.133) 1.244 20.518 ( -0.976 5.333 -3.538) 6.473 20.518 ( -0.976 5.333 3.538) 6.473 20.761 ( -5.034 6.100 -2.688) 8.354 20.761 ( -5.034 6.100 2.688) 8.354 21.097 ( -0.190 -5.110 -1.385) 5.298 21.097 ( -0.190 -5.110 1.385) 5.298 28.132 ( -0.566 1.295 -1.787) 2.278 28.132 ( -0.566 1.295 1.787) 2.278 28.306 ( 0.966 -3.316 -0.433) 3.481 28.306 ( 0.966 -3.316 0.433) 3.481 37.007 ( 4.959 1.812 -0.576) 5.311 37.007 ( 4.959 1.812 0.576) 5.311 37.455 ( -6.199 5.475 -4.222) 9.286 37.455 ( -6.199 5.475 4.222) 9.286 38.020 ( 12.165 3.171 -7.238) 14.507 38.020 ( 12.165 3.171 7.238) 14.507 39.258 ( -18.495 1.169 -1.448) 18.588 39.258 ( -18.495 1.169 1.448) 18.588 ======================= Grid point 237 (76/80) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 3.802 6.578 -2.670) 8.054 1.765 ( 3.802 6.578 2.670) 8.054 1.969 ( 2.758 0.471 -2.761) 3.931 1.969 ( 2.758 0.471 2.761) 3.931 2.088 ( -0.366 4.607 -4.205) 6.248 2.088 ( -0.366 4.607 4.205) 6.248 2.296 ( -6.293 1.114 -3.945) 7.511 2.296 ( -6.293 1.114 3.945) 7.511 2.921 ( -0.152 6.732 -0.995) 6.806 2.921 ( -0.152 6.732 0.995) 6.806 3.291 ( 0.245 -6.975 -0.898) 7.037 3.291 ( 0.245 -6.975 0.898) 7.037 4.755 ( 1.563 6.197 -2.269) 6.782 4.755 ( 1.563 6.197 2.269) 6.782 4.980 ( 0.035 -0.090 -2.483) 2.485 4.980 ( 0.035 -0.090 2.483) 2.485 5.903 ( 8.628 15.911 -2.657) 18.294 5.903 ( 8.628 15.911 2.657) 18.294 6.314 ( -6.829 2.748 -3.304) 8.069 6.314 ( -6.829 2.748 3.304) 8.069 6.881 ( 2.241 2.516 -3.210) 4.654 6.881 ( 2.241 2.516 3.210) 4.654 7.079 ( -3.915 -7.407 -1.552) 8.521 7.079 ( -3.915 -7.407 1.552) 8.521 8.118 ( -0.578 32.560 -0.380) 32.568 8.118 ( -0.578 32.560 0.380) 32.568 8.994 ( 1.512 1.730 -2.092) 3.107 8.994 ( 1.512 1.730 2.092) 3.107 9.254 ( -1.821 -2.643 -0.760) 3.298 9.254 ( -1.821 -2.643 0.760) 3.298 9.927 ( 7.398 -7.891 -2.145) 11.027 9.927 ( 7.398 -7.891 2.145) 11.027 10.323 ( 6.330 4.574 -8.006) 11.184 10.323 ( 6.330 4.574 8.006) 11.184 10.589 ( 10.643 6.268 -7.929) 14.677 10.589 ( 10.643 6.268 7.929) 14.677 10.986 ( -17.756 -2.313 -3.922) 18.330 10.986 ( -17.756 -2.313 3.922) 18.330 11.418 ( -7.209 -10.159 -4.012) 13.087 11.418 ( -7.209 -10.159 4.012) 13.087 11.663 ( -0.461 10.771 -2.888) 11.161 11.663 ( -0.461 10.771 2.888) 11.161 12.534 ( -1.530 -20.101 -3.820) 20.518 12.534 ( -1.530 -20.101 3.820) 20.518 12.951 ( 2.776 5.996 -2.855) 7.198 12.951 ( 2.776 5.996 2.855) 7.198 13.500 ( 0.767 -14.258 -2.575) 14.509 13.500 ( 0.767 -14.258 2.575) 14.509 13.844 ( 4.519 15.621 -4.553) 16.887 13.844 ( 4.519 15.621 4.553) 16.887 14.904 ( -2.778 -20.101 -2.509) 20.446 14.904 ( -2.778 -20.101 2.509) 20.446 16.643 ( -0.322 10.212 -2.521) 10.524 16.643 ( -0.322 10.212 2.521) 10.524 17.275 ( -0.295 3.286 -3.315) 4.677 17.275 ( -0.295 3.286 3.315) 4.677 19.071 ( 4.402 -1.327 -2.552) 5.259 19.071 ( 4.402 -1.327 2.552) 5.259 19.150 ( -0.979 -5.119 -1.884) 5.541 19.150 ( -0.979 -5.119 1.884) 5.541 19.222 ( -0.741 -3.253 -1.073) 3.504 19.222 ( -0.741 -3.253 1.073) 3.504 19.795 ( 0.117 -7.317 -1.170) 7.411 19.795 ( 0.117 -7.317 1.170) 7.411 20.465 ( -0.895 6.303 -0.913) 6.431 20.465 ( -0.895 6.303 0.913) 6.431 20.547 ( 2.252 0.707 -0.877) 2.518 20.547 ( 2.252 0.707 0.877) 2.518 20.668 ( -3.466 5.265 -1.159) 6.409 20.668 ( -3.466 5.265 1.159) 6.409 21.091 ( -0.262 -5.041 -0.479) 5.071 21.091 ( -0.262 -5.041 0.479) 5.071 28.124 ( -0.188 1.820 -0.592) 1.923 28.124 ( -0.188 1.820 0.592) 1.923 28.321 ( 0.377 -4.014 -0.172) 4.035 28.321 ( 0.377 -4.014 0.172) 4.035 37.123 ( 5.651 3.695 -0.865) 6.807 37.123 ( 5.651 3.695 0.865) 6.807 37.318 ( -6.259 3.504 -1.935) 7.429 37.318 ( -6.259 3.504 1.935) 7.429 38.287 ( 11.634 6.813 -3.960) 14.051 38.287 ( 11.634 6.813 3.960) 14.051 38.891 ( -14.350 -2.920 -1.835) 14.758 38.891 ( -14.350 -2.920 1.835) 14.758 ======================= Grid point 245 (77/80) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 0.681 -0.229) 0.719 1.523 ( 0.000 0.681 0.229) 0.719 1.949 ( 0.000 4.794 -1.791) 5.118 1.949 ( 0.000 4.794 1.791) 5.118 2.059 ( 0.000 -2.736 -0.324) 2.755 2.059 ( 0.000 -2.736 0.324) 2.755 2.800 ( 0.000 0.198 -0.294) 0.354 2.800 ( 0.000 0.198 0.294) 0.354 3.014 ( 0.000 3.942 -0.044) 3.942 3.014 ( 0.000 3.942 0.044) 3.942 3.159 ( 0.000 -2.869 -1.996) 3.495 3.159 ( 0.000 -2.869 1.996) 3.495 4.773 ( 0.000 8.483 -0.575) 8.503 4.773 ( 0.000 8.483 0.575) 8.503 4.911 ( 0.000 -5.046 -1.508) 5.267 4.911 ( 0.000 -5.046 1.508) 5.267 5.484 ( 0.000 -0.699 -3.526) 3.594 5.484 ( 0.000 -0.699 3.526) 3.594 6.504 ( 0.000 1.233 -5.140) 5.286 6.504 ( 0.000 1.233 5.140) 5.286 6.721 ( 0.000 -1.438 -2.229) 2.652 6.721 ( 0.000 -1.438 2.229) 2.652 7.662 ( 0.000 -0.121 -3.513) 3.515 7.662 ( 0.000 -0.121 3.513) 3.515 8.764 ( 0.000 2.440 -0.114) 2.443 8.764 ( 0.000 2.440 0.114) 2.443 8.860 ( 0.000 13.593 -1.422) 13.667 8.860 ( 0.000 13.593 1.422) 13.667 8.962 ( 0.000 15.034 -2.000) 15.166 8.962 ( 0.000 15.034 2.000) 15.166 9.445 ( 0.000 -4.263 -3.560) 5.554 9.445 ( 0.000 -4.263 3.560) 5.554 10.060 ( 0.000 11.619 -3.345) 12.091 10.060 ( 0.000 11.619 3.345) 12.091 10.745 ( 0.000 -29.922 -6.164) 30.550 10.745 ( 0.000 -29.922 6.164) 30.550 11.141 ( 0.000 3.273 -2.177) 3.931 11.141 ( 0.000 3.273 2.177) 3.931 11.603 ( 0.000 -1.840 -2.313) 2.955 11.603 ( 0.000 -1.840 2.313) 2.955 12.273 ( 0.000 5.388 -8.844) 10.356 12.273 ( 0.000 5.388 8.844) 10.356 12.527 ( 0.000 -7.510 -13.621) 15.554 12.527 ( 0.000 -7.510 13.621) 15.554 12.582 ( 0.000 1.840 -3.746) 4.173 12.582 ( 0.000 1.840 3.746) 4.173 13.075 ( 0.000 -3.122 -3.279) 4.528 13.075 ( 0.000 -3.122 3.279) 4.528 13.672 ( 0.000 0.140 -0.150) 0.205 13.672 ( 0.000 0.140 0.150) 0.205 14.999 ( 0.000 -2.711 -1.736) 3.220 14.999 ( 0.000 -2.711 1.736) 3.220 16.858 ( 0.000 7.368 -6.451) 9.793 16.858 ( 0.000 7.368 6.451) 9.793 17.288 ( 0.000 -3.968 -0.713) 4.031 17.288 ( 0.000 -3.968 0.713) 4.031 18.758 ( 0.000 -2.454 -1.072) 2.678 18.758 ( 0.000 -2.454 1.072) 2.678 18.901 ( 0.000 -0.430 -1.868) 1.917 18.901 ( 0.000 -0.430 1.868) 1.917 19.470 ( 0.000 5.177 -4.406) 6.798 19.470 ( 0.000 5.177 4.406) 6.798 19.596 ( 0.000 -7.267 -3.185) 7.934 19.596 ( 0.000 -7.267 3.185) 7.934 20.459 ( 0.000 0.236 -0.057) 0.243 20.459 ( 0.000 0.236 0.057) 0.243 20.620 ( 0.000 0.733 -1.489) 1.660 20.620 ( 0.000 0.733 1.489) 1.660 20.994 ( 0.000 -2.260 -0.005) 2.260 20.994 ( 0.000 -2.260 0.005) 2.260 21.046 ( 0.000 3.993 -1.947) 4.442 21.046 ( 0.000 3.993 1.947) 4.442 28.151 ( 0.000 -0.059 -1.312) 1.313 28.151 ( 0.000 -0.059 1.312) 1.313 28.253 ( 0.000 -0.585 -0.349) 0.681 28.253 ( 0.000 -0.585 0.349) 0.681 36.907 ( 0.000 0.132 -0.032) 0.136 36.907 ( 0.000 0.132 0.032) 0.136 37.678 ( 0.000 2.616 -8.019) 8.435 37.678 ( 0.000 2.616 8.019) 8.435 37.777 ( 0.000 0.237 -8.931) 8.934 37.777 ( 0.000 0.237 8.931) 8.934 39.754 ( 0.000 1.016 -2.210) 2.432 39.754 ( 0.000 1.016 2.210) 2.432 ======================= Grid point 247 (78/80) ======================= q-point: ( 0.14 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 4.981 1.040 -0.691) 5.135 1.577 ( 4.981 1.040 0.691) 5.135 1.957 ( 0.683 4.280 -1.657) 4.640 1.957 ( 0.683 4.280 1.657) 4.640 2.066 ( 0.739 -2.366 -0.507) 2.530 2.066 ( 0.739 -2.366 0.507) 2.530 2.706 ( -8.037 0.550 -0.797) 8.095 2.706 ( -8.037 0.550 0.797) 8.095 3.017 ( 0.208 3.436 -0.948) 3.570 3.017 ( 0.208 3.436 0.948) 3.570 3.175 ( 0.964 -2.885 -1.874) 3.572 3.175 ( 0.964 -2.885 1.874) 3.572 4.796 ( 1.945 8.064 -2.773) 8.747 4.796 ( 1.945 8.064 2.773) 8.747 4.922 ( 0.893 -4.524 -1.295) 4.789 4.922 ( 0.893 -4.524 1.295) 4.789 5.559 ( 7.396 -0.174 -3.731) 8.286 5.559 ( 7.396 -0.174 3.731) 8.286 6.538 ( 2.681 1.466 -4.735) 5.635 6.538 ( 2.681 1.466 4.735) 5.635 6.731 ( 1.083 -1.105 -3.535) 3.859 6.731 ( 1.083 -1.105 3.535) 3.859 7.469 ( -15.405 -0.986 -1.995) 15.565 7.469 ( -15.405 -0.986 1.995) 15.565 8.824 ( 0.176 21.094 -1.705) 21.164 8.824 ( 0.176 21.094 1.705) 21.164 8.960 ( 7.212 -0.607 -4.342) 8.440 8.960 ( 7.212 -0.607 4.342) 8.440 9.023 ( 8.763 9.393 -3.711) 13.371 9.023 ( 8.763 9.393 3.711) 13.371 9.454 ( 2.254 -3.748 -3.719) 5.741 9.454 ( 2.254 -3.748 3.719) 5.741 10.062 ( 0.911 10.536 -5.558) 11.947 10.062 ( 0.911 10.536 5.558) 11.947 10.713 ( -2.893 -26.339 -4.475) 26.872 10.713 ( -2.893 -26.339 4.475) 26.872 11.076 ( -5.947 1.101 -2.509) 6.548 11.076 ( -5.947 1.101 2.509) 6.548 11.631 ( 2.224 -0.852 -2.787) 3.666 11.631 ( 2.224 -0.852 2.787) 3.666 12.147 ( -10.680 6.672 -10.857) 16.627 12.147 ( -10.680 6.672 10.857) 16.627 12.407 ( -6.762 -9.306 -12.671) 17.115 12.407 ( -6.762 -9.306 12.671) 17.115 12.735 ( 9.262 1.964 -4.057) 10.300 12.735 ( 9.262 1.964 4.057) 10.300 13.168 ( 7.398 -3.298 -4.022) 9.043 13.168 ( 7.398 -3.298 4.022) 9.043 13.691 ( 2.677 0.680 -2.288) 3.587 13.691 ( 2.677 0.680 2.288) 3.587 14.946 ( -5.125 -3.279 -1.874) 6.366 14.946 ( -5.125 -3.279 1.874) 6.366 16.870 ( 0.970 8.919 -5.984) 10.784 16.870 ( 0.970 8.919 5.984) 10.784 17.259 ( -2.496 -5.721 -1.949) 6.539 17.259 ( -2.496 -5.721 1.949) 6.539 18.804 ( 4.260 -2.449 -1.281) 5.078 18.804 ( 4.260 -2.449 1.281) 5.078 18.928 ( 2.580 -0.359 -1.428) 2.971 18.928 ( 2.580 -0.359 1.428) 2.971 19.455 ( -1.514 6.136 -4.091) 7.529 19.455 ( -1.514 6.136 4.091) 7.529 19.599 ( 0.250 -8.272 -2.687) 8.701 19.599 ( 0.250 -8.272 2.687) 8.701 20.463 ( 0.497 0.120 -0.168) 0.539 20.463 ( 0.497 0.120 0.168) 0.539 20.608 ( -1.126 0.907 -1.338) 1.970 20.608 ( -1.126 0.907 1.338) 1.970 20.961 ( -2.873 1.628 -2.418) 4.093 20.961 ( -2.873 1.628 2.418) 4.093 21.040 ( -0.740 0.227 -2.103) 2.241 21.040 ( -0.740 0.227 2.103) 2.241 28.154 ( 0.331 0.414 -1.243) 1.352 28.154 ( 0.331 0.414 1.243) 1.352 28.251 ( -0.147 -1.084 -0.450) 1.183 28.251 ( -0.147 -1.084 0.450) 1.183 36.938 ( 3.005 0.239 -0.052) 3.015 36.938 ( 3.005 0.239 0.052) 3.015 37.638 ( -3.989 2.096 -3.812) 5.902 37.638 ( -3.989 2.096 3.812) 5.902 37.850 ( 7.154 0.713 -4.797) 8.643 37.850 ( 7.154 0.713 4.797) 8.643 39.620 ( -12.481 0.942 -1.747) 12.638 39.620 ( -12.481 0.942 1.747) 12.638 ======================= Grid point 249 (79/80) ======================= q-point: ( 0.29 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 7.366 1.532 -1.249) 7.627 1.710 ( 7.366 1.532 1.249) 7.627 1.970 ( 0.293 2.351 -1.408) 2.756 1.970 ( 0.293 2.351 1.408) 2.756 2.093 ( 2.104 -0.638 -1.194) 2.502 2.093 ( 2.104 -0.638 1.194) 2.502 2.513 ( -10.006 0.957 -1.289) 10.134 2.513 ( -10.006 0.957 1.289) 10.134 3.023 ( 0.518 3.743 -1.046) 3.920 3.023 ( 0.518 3.743 1.046) 3.920 3.181 ( -0.496 -3.886 -1.476) 4.186 3.181 ( -0.496 -3.886 1.476) 4.186 4.840 ( 2.021 6.626 -3.162) 7.614 4.840 ( 2.021 6.626 3.162) 7.614 4.940 ( 0.786 -3.437 -1.091) 3.691 4.940 ( 0.786 -3.437 1.091) 3.691 5.784 ( 14.135 1.879 -2.881) 14.547 5.784 ( 14.135 1.879 2.881) 14.547 6.567 ( -1.296 4.559 -7.618) 8.972 6.567 ( -1.296 4.559 7.618) 8.972 6.771 ( 2.705 -2.361 -6.697) 7.599 6.771 ( 2.705 -2.361 6.697) 7.599 7.140 ( -14.762 -3.737 -1.170) 15.273 7.140 ( -14.762 -3.737 1.170) 15.273 8.811 ( -1.017 26.110 -1.602) 26.179 8.811 ( -1.017 26.110 1.602) 26.179 9.028 ( 0.968 4.196 -4.189) 6.008 9.028 ( 0.968 4.196 4.189) 6.008 9.192 ( 4.821 -1.102 -0.949) 5.036 9.192 ( 4.821 -1.102 0.949) 5.036 9.589 ( 7.852 -7.191 -4.659) 11.622 9.589 ( 7.852 -7.191 4.659) 11.622 10.169 ( 11.882 9.830 -8.370) 17.546 10.169 ( 11.882 9.830 8.370) 17.546 10.641 ( -3.432 -15.267 -1.259) 15.699 10.641 ( -3.432 -15.267 1.259) 15.699 10.927 ( -7.422 -5.512 -3.309) 9.819 10.927 ( -7.422 -5.512 3.309) 9.819 11.620 ( -7.954 -0.543 -3.664) 8.774 11.620 ( -7.954 -0.543 3.664) 8.774 11.916 ( -7.343 8.987 -10.017) 15.330 11.916 ( -7.343 8.987 10.017) 15.330 12.280 ( -5.318 -11.449 -8.309) 15.113 12.280 ( -5.318 -11.449 8.309) 15.113 12.923 ( 8.612 2.973 -3.616) 9.802 12.923 ( 8.612 2.973 3.616) 9.802 13.284 ( 2.263 -5.020 -3.082) 6.310 13.284 ( 2.263 -5.020 3.082) 6.310 13.835 ( 11.855 3.522 -3.980) 12.992 13.835 ( 11.855 3.522 3.980) 12.992 14.794 ( -9.444 -5.355 -2.481) 11.136 14.794 ( -9.444 -5.355 2.481) 11.136 16.885 ( 0.295 12.285 -4.637) 13.135 16.885 ( 0.295 12.285 4.637) 13.135 17.204 ( -2.471 -9.650 -2.713) 10.324 17.204 ( -2.471 -9.650 2.713) 10.324 18.915 ( 6.022 -2.115 -1.708) 6.607 18.915 ( 6.022 -2.115 1.708) 6.607 19.000 ( 4.110 -0.551 -1.354) 4.362 19.000 ( 4.110 -0.551 1.354) 4.362 19.405 ( -3.284 8.161 -3.471) 9.457 19.405 ( -3.284 8.161 3.471) 9.457 19.600 ( -0.362 -10.512 -1.596) 10.639 19.600 ( -0.362 -10.512 1.596) 10.639 20.483 ( 1.483 -0.073 -0.172) 1.495 20.483 ( 1.483 -0.073 0.172) 1.495 20.581 ( -1.252 1.222 -0.993) 2.012 20.581 ( -1.252 1.222 0.993) 2.012 20.891 ( -3.616 6.113 -2.302) 7.467 20.891 ( -3.616 6.113 2.302) 7.467 21.016 ( -1.510 -3.848 -1.418) 4.370 21.016 ( -1.510 -3.848 1.418) 4.370 28.163 ( 0.475 1.662 -0.985) 1.989 28.163 ( 0.475 1.662 0.985) 1.989 28.248 ( -0.205 -2.390 -0.512) 2.452 28.248 ( -0.205 -2.390 0.512) 2.452 37.030 ( 5.839 0.579 -0.125) 5.869 37.030 ( 5.839 0.579 0.125) 5.869 37.520 ( -7.211 1.537 -1.500) 7.524 37.520 ( -7.211 1.537 1.500) 7.524 38.066 ( 13.561 1.326 -2.579) 13.867 38.066 ( 13.561 1.326 2.579) 13.867 39.275 ( -20.048 0.477 -0.825) 20.071 39.275 ( -20.048 0.477 0.825) 20.071 ======================= Grid point 251 (80/80) ======================= q-point: ( 0.43 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 5.138 2.498 -0.862) 5.777 1.848 ( 5.138 2.498 0.862) 5.777 1.958 ( -1.529 -1.099 -0.849) 2.065 1.958 ( -1.529 -1.099 0.849) 2.065 2.164 ( 4.898 2.296 -1.744) 5.684 2.164 ( 4.898 2.296 1.744) 5.684 2.319 ( -8.268 0.874 -1.730) 8.492 2.319 ( -8.268 0.874 1.730) 8.492 3.037 ( 0.569 5.392 -0.553) 5.450 3.037 ( 0.569 5.392 0.553) 5.450 3.163 ( -0.805 -5.972 -0.666) 6.062 3.163 ( -0.805 -5.972 0.666) 6.062 4.871 ( 0.831 5.335 -1.402) 5.578 4.871 ( 0.831 5.335 1.402) 5.578 4.951 ( 0.227 -2.809 -0.587) 2.878 4.951 ( 0.227 -2.809 0.587) 2.878 6.112 ( 16.654 5.459 -1.582) 17.597 6.112 ( 16.654 5.459 1.582) 17.597 6.433 ( -11.949 6.809 -5.387) 14.770 6.433 ( -11.949 6.809 5.387) 14.770 6.827 ( 2.375 -3.904 -4.780) 6.613 6.827 ( 2.375 -3.904 4.780) 6.613 6.923 ( -5.669 -6.741 -1.059) 8.871 6.923 ( -5.669 -6.741 1.059) 8.871 8.790 ( -0.764 28.216 -1.122) 28.249 8.790 ( -0.764 28.216 1.122) 28.249 9.019 ( -0.801 -0.614 -2.245) 2.461 9.019 ( -0.801 -0.614 2.245) 2.461 9.274 ( 2.813 7.506 -1.197) 8.105 9.274 ( 2.813 7.506 1.197) 8.105 9.664 ( 0.607 -18.820 -2.506) 18.995 9.664 ( 0.607 -18.820 2.506) 18.995 10.460 ( 6.738 9.945 -2.832) 12.342 10.460 ( 6.737 9.945 2.832) 12.342 10.648 ( 7.421 -3.356 -2.778) 8.605 10.648 ( 7.421 -3.356 2.778) 8.605 10.844 ( 3.338 -8.838 -1.140) 9.516 10.844 ( 3.338 -8.838 1.140) 9.516 11.260 ( -21.967 -3.558 -4.321) 22.669 11.260 ( -21.967 -3.558 4.321) 22.669 11.897 ( 1.455 12.588 -3.439) 13.130 11.897 ( 1.455 12.588 3.439) 13.130 12.197 ( -2.412 -14.561 -3.393) 15.145 12.197 ( -2.412 -14.561 3.393) 15.145 13.070 ( 4.861 5.811 -1.880) 7.806 13.070 ( 4.861 5.811 1.880) 7.806 13.275 ( -1.779 -8.589 -1.766) 8.947 13.275 ( -1.779 -8.589 1.766) 8.947 14.116 ( 12.401 10.975 -3.357) 16.897 14.116 ( 12.401 10.975 3.357) 16.897 14.578 ( -9.997 -12.307 -2.634) 16.073 14.578 ( -9.997 -12.307 2.634) 16.073 16.884 ( -0.210 14.376 -1.850) 14.496 16.884 ( -0.210 14.376 1.850) 14.496 17.169 ( -0.874 -12.318 -1.325) 12.420 17.169 ( -0.874 -12.318 1.325) 12.420 19.030 ( 4.491 -1.660 -1.597) 5.047 19.030 ( 4.491 -1.660 1.597) 5.047 19.067 ( 1.365 -1.439 -1.549) 2.517 19.067 ( 1.365 -1.439 1.549) 2.517 19.338 ( -2.409 10.925 -1.950) 11.356 19.338 ( -2.409 10.925 1.950) 11.356 19.585 ( -0.741 -13.018 -0.545) 13.051 19.585 ( -0.741 -13.018 0.545) 13.051 20.519 ( 1.696 0.515 -0.331) 1.803 20.519 ( 1.696 0.515 0.331) 1.803 20.559 ( -1.008 0.280 -0.680) 1.248 20.559 ( -1.008 0.280 0.680) 1.248 20.829 ( -1.862 9.495 -0.985) 9.726 20.829 ( -1.862 9.495 0.985) 9.726 20.989 ( -0.827 -6.314 -0.490) 6.387 20.989 ( -0.827 -6.314 0.490) 6.387 28.171 ( 0.244 2.989 -0.406) 3.026 28.171 ( 0.244 2.989 0.406) 3.026 28.244 ( -0.110 -3.762 -0.253) 3.772 28.244 ( -0.110 -3.762 0.253) 3.772 37.173 ( 7.801 1.364 -0.305) 7.925 37.173 ( 7.801 1.364 0.305) 7.925 37.354 ( -8.430 0.709 -0.688) 8.487 37.354 ( -8.430 0.709 0.688) 8.487 38.394 ( 17.580 3.386 -1.619) 17.976 38.394 ( 17.580 3.386 1.619) 17.976 38.843 ( -20.445 -1.640 -0.853) 20.529 38.843 ( -20.445 -1.640 0.853) 20.529 =================== 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 3/31752 10.0 520.360 606.396 662.327 0.000 0.000 0.000 3/31752 20.0 171.495 208.757 221.724 0.000 0.000 0.000 3/31752 30.0 94.758 118.788 118.926 0.000 0.000 0.000 3/31752 40.0 61.284 78.110 76.147 0.000 0.000 0.000 3/31752 50.0 42.978 55.368 52.767 0.000 0.000 0.000 3/31752 60.0 31.873 41.393 38.553 0.000 0.000 0.000 3/31752 70.0 24.669 32.303 29.392 0.000 0.000 0.000 3/31752 80.0 19.766 26.115 23.223 0.000 0.000 0.000 3/31752 90.0 16.297 21.734 18.910 0.000 0.000 0.000 3/31752 100.0 13.763 18.524 15.795 0.000 0.000 0.000 3/31752 110.0 11.859 16.102 13.479 0.000 0.000 0.000 3/31752 120.0 10.392 14.226 11.711 0.000 0.000 0.000 3/31752 130.0 9.235 12.741 10.329 0.000 0.000 0.000 3/31752 140.0 8.306 11.542 9.228 0.000 0.000 0.000 3/31752 150.0 7.545 10.556 8.334 0.000 0.000 0.000 3/31752 160.0 6.913 9.732 7.596 0.000 0.000 0.000 3/31752 170.0 6.379 9.035 6.978 0.000 0.000 0.000 3/31752 180.0 5.924 8.438 6.454 0.000 0.000 0.000 3/31752 190.0 5.532 7.920 6.004 0.000 0.000 0.000 3/31752 200.0 5.189 7.467 5.615 0.000 0.000 0.000 3/31752 210.0 4.889 7.067 5.274 0.000 0.000 0.000 3/31752 220.0 4.622 6.711 4.973 0.000 0.000 0.000 3/31752 230.0 4.384 6.391 4.706 0.000 0.000 0.000 3/31752 240.0 4.171 6.104 4.468 0.000 0.000 0.000 3/31752 250.0 3.978 5.843 4.253 0.000 0.000 0.000 3/31752 260.0 3.803 5.605 4.059 0.000 0.000 0.000 3/31752 270.0 3.643 5.387 3.883 0.000 0.000 0.000 3/31752 280.0 3.497 5.186 3.722 0.000 0.000 0.000 3/31752 290.0 3.363 5.001 3.574 0.000 0.000 0.000 3/31752 300.0 3.239 4.829 3.438 0.000 0.000 0.000 3/31752 310.0 3.124 4.670 3.313 0.000 0.000 0.000 3/31752 320.0 3.017 4.521 3.196 0.000 0.000 0.000 3/31752 330.0 2.918 4.382 3.088 0.000 0.000 0.000 3/31752 340.0 2.825 4.251 2.988 0.000 0.000 0.000 3/31752 350.0 2.739 4.129 2.894 0.000 0.000 0.000 3/31752 360.0 2.658 4.013 2.806 0.000 0.000 0.000 3/31752 370.0 2.581 3.905 2.723 0.000 0.000 0.000 3/31752 380.0 2.509 3.802 2.646 0.000 0.000 0.000 3/31752 390.0 2.441 3.704 2.572 0.000 0.000 0.000 3/31752 400.0 2.377 3.612 2.503 0.000 0.000 0.000 3/31752 410.0 2.316 3.524 2.438 0.000 0.000 0.000 3/31752 420.0 2.259 3.441 2.376 0.000 0.000 0.000 3/31752 430.0 2.204 3.362 2.318 0.000 0.000 0.000 3/31752 440.0 2.152 3.286 2.262 0.000 0.000 0.000 3/31752 450.0 2.103 3.214 2.209 0.000 0.000 0.000 3/31752 460.0 2.055 3.145 2.158 0.000 0.000 0.000 3/31752 470.0 2.010 3.079 2.110 0.000 0.000 0.000 3/31752 480.0 1.967 3.015 2.064 0.000 0.000 0.000 3/31752 490.0 1.926 2.955 2.020 0.000 0.000 0.000 3/31752 500.0 1.887 2.896 1.978 0.000 0.000 0.000 3/31752 510.0 1.849 2.840 1.938 0.000 0.000 0.000 3/31752 520.0 1.813 2.787 1.900 0.000 0.000 0.000 3/31752 530.0 1.778 2.735 1.863 0.000 0.000 0.000 3/31752 540.0 1.744 2.685 1.827 0.000 0.000 0.000 3/31752 550.0 1.712 2.637 1.793 0.000 0.000 0.000 3/31752 560.0 1.681 2.591 1.760 0.000 0.000 0.000 3/31752 570.0 1.651 2.546 1.728 0.000 0.000 0.000 3/31752 580.0 1.623 2.503 1.698 0.000 0.000 0.000 3/31752 590.0 1.595 2.461 1.668 0.000 0.000 0.000 3/31752 600.0 1.568 2.421 1.640 0.000 0.000 0.000 3/31752 610.0 1.542 2.382 1.613 0.000 0.000 0.000 3/31752 620.0 1.517 2.344 1.586 0.000 0.000 0.000 3/31752 630.0 1.493 2.308 1.560 0.000 0.000 0.000 3/31752 640.0 1.470 2.272 1.536 0.000 0.000 0.000 3/31752 650.0 1.447 2.238 1.512 0.000 0.000 0.000 3/31752 660.0 1.425 2.205 1.488 0.000 0.000 0.000 3/31752 670.0 1.404 2.173 1.466 0.000 0.000 0.000 3/31752 680.0 1.383 2.141 1.444 0.000 0.000 0.000 3/31752 690.0 1.363 2.111 1.423 0.000 0.000 0.000 3/31752 700.0 1.343 2.081 1.403 0.000 0.000 0.000 3/31752 710.0 1.325 2.052 1.383 0.000 0.000 0.000 3/31752 720.0 1.306 2.024 1.363 0.000 0.000 0.000 3/31752 730.0 1.288 1.997 1.344 0.000 0.000 0.000 3/31752 740.0 1.271 1.971 1.326 0.000 0.000 0.000 3/31752 750.0 1.254 1.945 1.308 0.000 0.000 0.000 3/31752 760.0 1.238 1.920 1.291 0.000 0.000 0.000 3/31752 770.0 1.222 1.895 1.274 0.000 0.000 0.000 3/31752 780.0 1.206 1.872 1.258 0.000 0.000 0.000 3/31752 790.0 1.191 1.848 1.242 0.000 0.000 0.000 3/31752 800.0 1.176 1.826 1.226 0.000 0.000 0.000 3/31752 810.0 1.162 1.804 1.211 0.000 0.000 0.000 3/31752 820.0 1.148 1.782 1.196 0.000 0.000 0.000 3/31752 830.0 1.134 1.761 1.182 0.000 0.000 0.000 3/31752 840.0 1.121 1.740 1.168 0.000 0.000 0.000 3/31752 850.0 1.108 1.720 1.154 0.000 0.000 0.000 3/31752 860.0 1.095 1.701 1.141 0.000 0.000 0.000 3/31752 870.0 1.082 1.681 1.128 0.000 0.000 0.000 3/31752 880.0 1.070 1.663 1.115 0.000 0.000 0.000 3/31752 890.0 1.058 1.644 1.102 0.000 0.000 0.000 3/31752 900.0 1.047 1.626 1.090 0.000 0.000 0.000 3/31752 910.0 1.035 1.609 1.078 0.000 0.000 0.000 3/31752 920.0 1.024 1.592 1.067 0.000 0.000 0.000 3/31752 930.0 1.013 1.575 1.055 0.000 0.000 0.000 3/31752 940.0 1.002 1.559 1.044 0.000 0.000 0.000 3/31752 950.0 0.992 1.542 1.033 0.000 0.000 0.000 3/31752 960.0 0.982 1.527 1.022 0.000 0.000 0.000 3/31752 970.0 0.972 1.511 1.012 0.000 0.000 0.000 3/31752 980.0 0.962 1.496 1.002 0.000 0.000 0.000 3/31752 990.0 0.952 1.481 0.991 0.000 0.000 0.000 3/31752 1000.0 0.943 1.467 0.982 0.000 0.000 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m796.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:57:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|