----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:47:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.784766115038147 -3.835889130000000 0.000000000000000 b 7.784766115038147 3.835889130000000 0.000000000000000 c -1.485227271152878 0.000000000000000 10.535515170587775 Atomic positions (fractional): *1 Sm 0.67716207289049 0.92326778909180 0.81839651740328 150.360 2 Sm 0.32283792710951 0.07673221090820 0.18160348259673 150.360 3 Sm 0.92326778909180 0.67716207289049 0.31839651740328 150.360 *4 Sm 0.39865364619820 0.60134635380180 0.75000000000000 150.360 5 Sm 0.07673221090820 0.32283792710951 0.68160348259672 150.360 6 Sm 0.60134635380180 0.39865364619820 0.25000000000000 150.360 *7 Si 0.62246161313216 0.69678264969955 0.52823891831269 28.085 8 Si 0.30321735030045 0.37753838686784 0.97176108168731 28.085 9 Si 0.69678264969955 0.62246161313216 0.02823891831269 28.085 10 Si 0.37753838686784 0.30321735030045 0.47176108168731 28.085 *11 S 0.89540847933479 0.39446734049643 0.14876198939169 32.065 *12 S 0.74899203463650 0.54775578329975 0.83318783229463 32.065 *13 S 0.71414365951953 0.85545903748663 0.08572583963991 32.065 14 S 0.45224421670025 0.25100796536350 0.66681216770537 32.065 15 S 0.10459152066521 0.60553265950357 0.85123801060831 32.065 16 S 0.28585634048047 0.14454096251337 0.91427416036009 32.065 17 S 0.39446734049643 0.89540847933479 0.64876198939169 32.065 18 S 0.25100796536350 0.45224421670025 0.16681216770537 32.065 19 S 0.14454096251337 0.28585634048047 0.41427416036009 32.065 20 S 0.85545903748663 0.71414365951953 0.58572583963991 32.065 *21 S 0.72446510593838 0.40724953967909 0.54185509636032 32.065 22 S 0.27553489406162 0.59275046032091 0.45814490363968 32.065 23 S 0.54775578329975 0.74899203463650 0.33318783229463 32.065 24 S 0.60553265950357 0.10459152066521 0.35123801060831 32.065 25 S 0.59275046032091 0.27553489406162 0.95814490363968 32.065 26 S 0.40724953967909 0.72446510593838 0.04185509636032 32.065 *27 I 0.98493368754742 0.01506631245258 0.75000000000000 126.904 28 I 0.01506631245258 0.98493368754742 0.25000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.569532230076295 0.000000000000000 0.000000000000000 b 0.000000000000000 7.671778260000000 0.000000000000000 c -1.485227271152878 0.000000000000000 10.535515170587775 Atomic positions (fractional): *1 Sm 0.30021493099115 0.62305285810066 0.81839651740328 150.360 > 1 2 Sm 0.19978506900885 0.87694714189934 0.18160348259673 150.360 > 2 3 Sm 0.30021493099115 0.37694714189934 0.31839651740328 150.360 > 3 *4 Sm 0.00000000000000 0.60134635380180 0.75000000000000 150.360 > 4 5 Sm 0.19978506900885 0.12305285810065 0.68160348259672 150.360 > 5 6 Sm 0.00000000000000 0.39865364619820 0.25000000000000 150.360 > 6 7 Sm 0.80021493099115 0.12305285810065 0.81839651740328 150.360 > 1 8 Sm 0.69978506900885 0.37694714189934 0.18160348259673 150.360 > 2 9 Sm 0.80021493099115 0.87694714189934 0.31839651740328 150.360 > 3 10 Sm 0.50000000000000 0.10134635380180 0.75000000000000 150.360 > 4 11 Sm 0.69978506900885 0.62305285810066 0.68160348259672 150.360 > 5 12 Sm 0.50000000000000 0.89865364619820 0.25000000000000 150.360 > 6 *13 Si 0.15962213141585 0.53716051828369 0.52823891831269 28.085 > 7 14 Si 0.34037786858415 0.03716051828369 0.97176108168731 28.085 > 8 15 Si 0.15962213141585 0.46283948171631 0.02823891831269 28.085 > 9 16 Si 0.34037786858415 0.96283948171631 0.47176108168731 28.085 > 10 17 Si 0.65962213141585 0.03716051828369 0.52823891831269 28.085 > 7 18 Si 0.84037786858415 0.53716051828369 0.97176108168731 28.085 > 8 19 Si 0.65962213141585 0.96283948171631 0.02823891831269 28.085 > 9 20 Si 0.84037786858415 0.46283948171631 0.47176108168731 28.085 > 10 *21 S 0.14493790991561 0.24952943058082 0.14876198939169 32.065 > 11 *22 S 0.14837390896812 0.39938187433162 0.83318783229463 32.065 > 12 *23 S 0.28480134850308 0.57065768898355 0.08572583963991 32.065 > 13 24 S 0.35162609103188 0.89938187433162 0.66681216770537 32.065 > 14 25 S 0.35506209008439 0.25047056941918 0.85123801060831 32.065 > 15 26 S 0.21519865149692 0.92934231101645 0.91427416036009 32.065 > 16 27 S 0.14493790991561 0.75047056941918 0.64876198939169 32.065 > 17 28 S 0.35162609103188 0.10061812566837 0.16681216770537 32.065 > 18 29 S 0.21519865149692 0.07065768898355 0.41427416036009 32.065 > 19 30 S 0.28480134850308 0.42934231101645 0.58572583963991 32.065 > 20 *31 S 0.06585732280873 0.34139221687035 0.54185509636032 32.065 > 21 32 S 0.43414267719127 0.15860778312965 0.45814490363968 32.065 > 22 33 S 0.14837390896812 0.60061812566838 0.33318783229463 32.065 > 23 34 S 0.35506209008439 0.74952943058082 0.35123801060831 32.065 > 24 35 S 0.43414267719127 0.84139221687035 0.95814490363968 32.065 > 25 36 S 0.06585732280873 0.65860778312965 0.04185509636032 32.065 > 26 37 S 0.64493790991561 0.74952943058082 0.14876198939169 32.065 > 11 38 S 0.64837390896812 0.89938187433162 0.83318783229463 32.065 > 12 39 S 0.78480134850308 0.07065768898355 0.08572583963991 32.065 > 13 40 S 0.85162609103188 0.39938187433162 0.66681216770537 32.065 > 14 41 S 0.85506209008439 0.75047056941918 0.85123801060831 32.065 > 15 42 S 0.71519865149692 0.42934231101645 0.91427416036009 32.065 > 16 43 S 0.64493790991561 0.25047056941918 0.64876198939169 32.065 > 17 44 S 0.85162609103188 0.60061812566838 0.16681216770537 32.065 > 18 45 S 0.71519865149692 0.57065768898355 0.41427416036009 32.065 > 19 46 S 0.78480134850308 0.92934231101645 0.58572583963991 32.065 > 20 47 S 0.56585732280873 0.84139221687035 0.54185509636032 32.065 > 21 48 S 0.93414267719127 0.65860778312965 0.45814490363968 32.065 > 22 49 S 0.64837390896812 0.10061812566837 0.33318783229463 32.065 > 23 50 S 0.85506209008439 0.24952943058082 0.35123801060831 32.065 > 24 51 S 0.93414267719127 0.34139221687035 0.95814490363968 32.065 > 25 52 S 0.56585732280873 0.15860778312965 0.04185509636032 32.065 > 26 *53 I 0.00000000000000 0.01506631245258 0.75000000000000 126.904 > 27 54 I 0.00000000000000 0.98493368754742 0.25000000000000 126.904 > 28 55 I 0.50000000000000 0.51506631245258 0.75000000000000 126.904 > 27 56 I 0.50000000000000 0.48493368754742 0.25000000000000 126.904 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.569532230076295 0.000000000000000 0.000000000000000 b 0.000000000000000 15.343556520000000 0.000000000000000 c -1.485227271152878 0.000000000000000 10.535515170587775 Atomic positions (fractional): *1 Sm 0.30021493099115 0.31152642905033 0.81839651740328 150.360 > 1 2 Sm 0.30021493099115 0.81152642905033 0.81839651740328 150.360 > 1 3 Sm 0.19978506900885 0.43847357094967 0.18160348259673 150.360 > 2 4 Sm 0.19978506900885 0.93847357094967 0.18160348259673 150.360 > 2 5 Sm 0.30021493099115 0.18847357094967 0.31839651740328 150.360 > 3 6 Sm 0.30021493099115 0.68847357094967 0.31839651740328 150.360 > 3 *7 Sm 0.00000000000000 0.30067317690090 0.75000000000000 150.360 > 4 8 Sm 0.00000000000000 0.80067317690090 0.75000000000000 150.360 > 4 9 Sm 0.19978506900885 0.06152642905033 0.68160348259672 150.360 > 5 10 Sm 0.19978506900885 0.56152642905033 0.68160348259672 150.360 > 5 11 Sm 0.00000000000000 0.19932682309910 0.25000000000000 150.360 > 6 12 Sm 0.00000000000000 0.69932682309910 0.25000000000000 150.360 > 6 13 Sm 0.80021493099115 0.06152642905033 0.81839651740328 150.360 > 1 14 Sm 0.80021493099115 0.56152642905033 0.81839651740328 150.360 > 1 15 Sm 0.69978506900885 0.18847357094967 0.18160348259673 150.360 > 2 16 Sm 0.69978506900885 0.68847357094967 0.18160348259673 150.360 > 2 17 Sm 0.80021493099115 0.43847357094967 0.31839651740328 150.360 > 3 18 Sm 0.80021493099115 0.93847357094967 0.31839651740328 150.360 > 3 19 Sm 0.50000000000000 0.05067317690090 0.75000000000000 150.360 > 4 20 Sm 0.50000000000000 0.55067317690090 0.75000000000000 150.360 > 4 21 Sm 0.69978506900885 0.31152642905033 0.68160348259672 150.360 > 5 22 Sm 0.69978506900885 0.81152642905033 0.68160348259672 150.360 > 5 23 Sm 0.50000000000000 0.44932682309910 0.25000000000000 150.360 > 6 24 Sm 0.50000000000000 0.94932682309910 0.25000000000000 150.360 > 6 *25 Si 0.15962213141585 0.26858025914185 0.52823891831269 28.085 > 7 26 Si 0.15962213141585 0.76858025914185 0.52823891831269 28.085 > 7 27 Si 0.34037786858415 0.01858025914185 0.97176108168731 28.085 > 8 28 Si 0.34037786858415 0.51858025914185 0.97176108168731 28.085 > 8 29 Si 0.15962213141585 0.23141974085815 0.02823891831269 28.085 > 9 30 Si 0.15962213141585 0.73141974085815 0.02823891831269 28.085 > 9 31 Si 0.34037786858415 0.48141974085815 0.47176108168731 28.085 > 10 32 Si 0.34037786858415 0.98141974085815 0.47176108168731 28.085 > 10 33 Si 0.65962213141585 0.01858025914185 0.52823891831269 28.085 > 7 34 Si 0.65962213141585 0.51858025914185 0.52823891831269 28.085 > 7 35 Si 0.84037786858415 0.26858025914185 0.97176108168731 28.085 > 8 36 Si 0.84037786858415 0.76858025914185 0.97176108168731 28.085 > 8 37 Si 0.65962213141585 0.48141974085815 0.02823891831269 28.085 > 9 38 Si 0.65962213141585 0.98141974085815 0.02823891831269 28.085 > 9 39 Si 0.84037786858415 0.23141974085815 0.47176108168731 28.085 > 10 40 Si 0.84037786858415 0.73141974085815 0.47176108168731 28.085 > 10 *41 S 0.14493790991561 0.12476471529041 0.14876198939169 32.065 > 11 42 S 0.14493790991561 0.62476471529041 0.14876198939169 32.065 > 11 *43 S 0.14837390896812 0.19969093716581 0.83318783229463 32.065 > 12 44 S 0.14837390896812 0.69969093716581 0.83318783229463 32.065 > 12 *45 S 0.28480134850308 0.28532884449177 0.08572583963991 32.065 > 13 46 S 0.28480134850308 0.78532884449177 0.08572583963991 32.065 > 13 47 S 0.35162609103188 0.44969093716581 0.66681216770537 32.065 > 14 48 S 0.35162609103188 0.94969093716581 0.66681216770537 32.065 > 14 49 S 0.35506209008439 0.12523528470959 0.85123801060831 32.065 > 15 50 S 0.35506209008439 0.62523528470959 0.85123801060831 32.065 > 15 51 S 0.21519865149692 0.46467115550823 0.91427416036009 32.065 > 16 52 S 0.21519865149692 0.96467115550823 0.91427416036009 32.065 > 16 53 S 0.14493790991561 0.37523528470959 0.64876198939169 32.065 > 17 54 S 0.14493790991561 0.87523528470959 0.64876198939169 32.065 > 17 55 S 0.35162609103188 0.05030906283419 0.16681216770537 32.065 > 18 56 S 0.35162609103188 0.55030906283419 0.16681216770537 32.065 > 18 57 S 0.21519865149692 0.03532884449177 0.41427416036009 32.065 > 19 58 S 0.21519865149692 0.53532884449177 0.41427416036009 32.065 > 19 59 S 0.28480134850308 0.21467115550823 0.58572583963991 32.065 > 20 60 S 0.28480134850308 0.71467115550823 0.58572583963991 32.065 > 20 *61 S 0.06585732280873 0.17069610843518 0.54185509636032 32.065 > 21 62 S 0.06585732280873 0.67069610843518 0.54185509636032 32.065 > 21 63 S 0.43414267719127 0.07930389156482 0.45814490363968 32.065 > 22 64 S 0.43414267719127 0.57930389156482 0.45814490363968 32.065 > 22 65 S 0.14837390896812 0.30030906283419 0.33318783229463 32.065 > 23 66 S 0.14837390896812 0.80030906283419 0.33318783229463 32.065 > 23 67 S 0.35506209008439 0.37476471529041 0.35123801060831 32.065 > 24 68 S 0.35506209008439 0.87476471529041 0.35123801060831 32.065 > 24 69 S 0.43414267719127 0.42069610843518 0.95814490363968 32.065 > 25 70 S 0.43414267719127 0.92069610843518 0.95814490363968 32.065 > 25 71 S 0.06585732280873 0.32930389156482 0.04185509636032 32.065 > 26 72 S 0.06585732280873 0.82930389156482 0.04185509636032 32.065 > 26 73 S 0.64493790991561 0.37476471529041 0.14876198939169 32.065 > 11 74 S 0.64493790991561 0.87476471529041 0.14876198939169 32.065 > 11 75 S 0.64837390896812 0.44969093716581 0.83318783229463 32.065 > 12 76 S 0.64837390896812 0.94969093716581 0.83318783229463 32.065 > 12 77 S 0.78480134850308 0.03532884449177 0.08572583963991 32.065 > 13 78 S 0.78480134850308 0.53532884449177 0.08572583963991 32.065 > 13 79 S 0.85162609103188 0.19969093716581 0.66681216770537 32.065 > 14 80 S 0.85162609103188 0.69969093716581 0.66681216770537 32.065 > 14 81 S 0.85506209008439 0.37523528470959 0.85123801060831 32.065 > 15 82 S 0.85506209008439 0.87523528470959 0.85123801060831 32.065 > 15 83 S 0.71519865149692 0.21467115550823 0.91427416036009 32.065 > 16 84 S 0.71519865149692 0.71467115550823 0.91427416036009 32.065 > 16 85 S 0.64493790991561 0.12523528470959 0.64876198939169 32.065 > 17 86 S 0.64493790991561 0.62523528470959 0.64876198939169 32.065 > 17 87 S 0.85162609103188 0.30030906283419 0.16681216770537 32.065 > 18 88 S 0.85162609103188 0.80030906283419 0.16681216770537 32.065 > 18 89 S 0.71519865149692 0.28532884449177 0.41427416036009 32.065 > 19 90 S 0.71519865149692 0.78532884449177 0.41427416036009 32.065 > 19 91 S 0.78480134850308 0.46467115550823 0.58572583963991 32.065 > 20 92 S 0.78480134850308 0.96467115550823 0.58572583963991 32.065 > 20 93 S 0.56585732280873 0.42069610843518 0.54185509636032 32.065 > 21 94 S 0.56585732280873 0.92069610843518 0.54185509636032 32.065 > 21 95 S 0.93414267719127 0.32930389156482 0.45814490363968 32.065 > 22 96 S 0.93414267719127 0.82930389156482 0.45814490363968 32.065 > 22 97 S 0.64837390896812 0.05030906283419 0.33318783229463 32.065 > 23 98 S 0.64837390896812 0.55030906283419 0.33318783229463 32.065 > 23 99 S 0.85506209008439 0.12476471529041 0.35123801060831 32.065 > 24 100 S 0.85506209008439 0.62476471529041 0.35123801060831 32.065 > 24 101 S 0.93414267719127 0.17069610843518 0.95814490363968 32.065 > 25 102 S 0.93414267719127 0.67069610843518 0.95814490363968 32.065 > 25 103 S 0.56585732280873 0.07930389156482 0.04185509636032 32.065 > 26 104 S 0.56585732280873 0.57930389156482 0.04185509636032 32.065 > 26 *105 I 0.00000000000000 0.00753315622629 0.75000000000000 126.904 > 27 106 I 0.00000000000000 0.50753315622629 0.75000000000000 126.904 > 27 107 I 0.00000000000000 0.49246684377371 0.25000000000000 126.904 > 28 108 I 0.00000000000000 0.99246684377371 0.25000000000000 126.904 > 28 109 I 0.50000000000000 0.25753315622629 0.75000000000000 126.904 > 27 110 I 0.50000000000000 0.75753315622629 0.75000000000000 126.904 > 27 111 I 0.50000000000000 0.24246684377371 0.25000000000000 126.904 > 28 112 I 0.50000000000000 0.74246684377371 0.25000000000000 126.904 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9993007 0.0000000 -0.0455702 0.0000000 6.8401660 0.0000000 -0.0455710 0.0000000 7.0153104 -------------------------- Born effective charges -------------------------- 1 Sm 3.5866649 0.3046368 -0.0708571 0.1707489 4.2929555 0.2516878 -0.2414940 -0.0326566 3.8411931 2 Sm 3.5866649 0.3046368 -0.0708571 0.1707489 4.2929555 0.2516878 -0.2414940 -0.0326566 3.8411931 3 Sm 3.5866649 -0.3046368 -0.0708571 -0.1707489 4.2929555 -0.2516878 -0.2414940 0.0326566 3.8411931 4 Sm 4.6382756 -0.0000000 -0.0964561 -0.0000000 3.1231450 -0.0000000 0.0026887 0.0000000 3.8336334 5 Sm 3.5866649 -0.3046368 -0.0708571 -0.1707489 4.2929555 -0.2516878 -0.2414940 0.0326566 3.8411931 6 Sm 4.6382756 -0.0000000 -0.0964561 -0.0000000 3.1231450 -0.0000000 0.0026887 0.0000000 3.8336334 7 Si 2.3449229 0.0135822 -0.1837366 -0.3643332 2.4802033 0.2557794 -0.0448000 0.1470758 3.4327008 8 Si 2.3449229 -0.0135822 -0.1837366 0.3643332 2.4802033 -0.2557794 -0.0448000 -0.1470758 3.4327008 9 Si 2.3449229 -0.0135822 -0.1837366 0.3643332 2.4802033 -0.2557794 -0.0448000 -0.1470758 3.4327008 10 Si 2.3449229 0.0135822 -0.1837366 -0.3643332 2.4802033 0.2557794 -0.0448000 0.1470758 3.4327008 11 S -1.7529790 0.1574514 0.0829193 0.1937929 -2.3640897 0.5610569 0.1624461 0.4549407 -1.7015111 12 S -1.8694491 0.2696240 0.1807046 0.2413556 -1.6719898 -0.4456609 0.2203818 -0.5682343 -2.5058313 13 S -1.5938809 -0.3233538 0.0684199 -0.3731954 -1.7173958 0.1097316 0.0718031 0.1856661 -2.5531434 14 S -1.8694491 -0.2696240 0.1807046 -0.2413556 -1.6719898 0.4456609 0.2203818 0.5682343 -2.5058313 15 S -1.7529790 0.1574514 0.0829193 0.1937929 -2.3640897 0.5610569 0.1624461 0.4549407 -1.7015111 16 S -1.5938809 -0.3233538 0.0684199 -0.3731954 -1.7173958 0.1097316 0.0718031 0.1856661 -2.5531434 17 S -1.7529790 -0.1574514 0.0829193 -0.1937929 -2.3640897 -0.5610569 0.1624461 -0.4549407 -1.7015111 18 S -1.8694491 0.2696240 0.1807046 0.2413556 -1.6719898 -0.4456609 0.2203818 -0.5682343 -2.5058313 19 S -1.5938809 0.3233538 0.0684199 0.3731954 -1.7173958 -0.1097316 0.0718031 -0.1856661 -2.5531434 20 S -1.5938809 0.3233538 0.0684199 0.3731954 -1.7173958 -0.1097316 0.0718031 -0.1856661 -2.5531434 21 S -1.9662828 0.0816945 -0.2183485 0.1370886 -1.7545558 0.0203525 -0.2826182 0.0963043 -2.1839839 22 S -1.9662828 0.0816945 -0.2183485 0.1370886 -1.7545558 0.0203525 -0.2826182 0.0963043 -2.1839839 23 S -1.8694491 -0.2696240 0.1807046 -0.2413556 -1.6719898 0.4456609 0.2203818 0.5682343 -2.5058313 24 S -1.7529790 -0.1574514 0.0829193 -0.1937929 -2.3640897 -0.5610569 0.1624461 -0.4549407 -1.7015111 25 S -1.9662828 -0.0816945 -0.2183485 -0.1370886 -1.7545558 -0.0203525 -0.2826182 -0.0963043 -2.1839839 26 S -1.9662828 -0.0816945 -0.2183485 -0.1370886 -1.7545558 -0.0203525 -0.2826182 -0.0963043 -2.1839839 27 I -2.1362677 -0.0000000 0.3782530 -0.0000000 -1.6534001 -0.0000000 0.2258738 0.0000000 -0.4924818 28 I -2.1362677 -0.0000000 0.3782530 -0.0000000 -1.6534001 -0.0000000 0.2258738 0.0000000 -0.4924818 ---------------------------------------------------------------------------- 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: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.943 Solver_block: 200 / 880 - Time: 0.831 Solver_block: 300 / 880 - Time: 0.835 Solver_block: 400 / 880 - Time: 0.826 Solver_block: 500 / 880 - Time: 0.828 Solver_block: 600 / 880 - Time: 0.822 Solver_block: 700 / 880 - Time: 0.838 Solver_block: 800 / 880 - Time: 0.833 Solver_block: 880 / 880 - Time: 0.694 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.626 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:47:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:47:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.784766115038147 -3.835889130000000 0.000000000000000 b 7.784766115038147 3.835889130000000 0.000000000000000 c -1.485227271152878 0.000000000000000 10.535515170587775 Atomic positions (fractional): 1 Sm 0.67716207289049 0.92326778909180 0.81839651740328 150.360 2 Sm 0.32283792710951 0.07673221090820 0.18160348259673 150.360 3 Sm 0.92326778909180 0.67716207289049 0.31839651740328 150.360 4 Sm 0.39865364619820 0.60134635380180 0.75000000000000 150.360 5 Sm 0.07673221090820 0.32283792710951 0.68160348259672 150.360 6 Sm 0.60134635380180 0.39865364619820 0.25000000000000 150.360 7 Si 0.62246161313216 0.69678264969955 0.52823891831269 28.085 8 Si 0.30321735030045 0.37753838686784 0.97176108168731 28.085 9 Si 0.69678264969955 0.62246161313216 0.02823891831269 28.085 10 Si 0.37753838686784 0.30321735030045 0.47176108168731 28.085 11 S 0.89540847933479 0.39446734049643 0.14876198939169 32.065 12 S 0.74899203463650 0.54775578329975 0.83318783229463 32.065 13 S 0.71414365951953 0.85545903748663 0.08572583963991 32.065 14 S 0.45224421670025 0.25100796536350 0.66681216770537 32.065 15 S 0.10459152066521 0.60553265950357 0.85123801060831 32.065 16 S 0.28585634048047 0.14454096251337 0.91427416036009 32.065 17 S 0.39446734049643 0.89540847933479 0.64876198939169 32.065 18 S 0.25100796536350 0.45224421670025 0.16681216770537 32.065 19 S 0.14454096251337 0.28585634048047 0.41427416036009 32.065 20 S 0.85545903748663 0.71414365951953 0.58572583963991 32.065 21 S 0.72446510593838 0.40724953967909 0.54185509636032 32.065 22 S 0.27553489406162 0.59275046032091 0.45814490363968 32.065 23 S 0.54775578329975 0.74899203463650 0.33318783229463 32.065 24 S 0.60553265950357 0.10459152066521 0.35123801060831 32.065 25 S 0.59275046032091 0.27553489406162 0.95814490363968 32.065 26 S 0.40724953967909 0.72446510593838 0.04185509636032 32.065 27 I 0.98493368754742 0.01506631245258 0.75000000000000 126.904 28 I 0.01506631245258 0.98493368754742 0.25000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.569532230076295 0.000000000000000 0.000000000000000 b 0.000000000000000 15.343556520000000 0.000000000000000 c -1.485227271152878 0.000000000000000 10.535515170587775 Atomic positions (fractional): 1 Sm 0.30021493099115 0.31152642905033 0.81839651740328 150.360 > 1 2 Sm 0.30021493099115 0.81152642905033 0.81839651740328 150.360 > 1 3 Sm 0.19978506900885 0.43847357094967 0.18160348259673 150.360 > 3 4 Sm 0.19978506900885 0.93847357094967 0.18160348259673 150.360 > 3 5 Sm 0.30021493099115 0.18847357094967 0.31839651740328 150.360 > 5 6 Sm 0.30021493099115 0.68847357094967 0.31839651740328 150.360 > 5 7 Sm 0.00000000000000 0.30067317690090 0.75000000000000 150.360 > 7 8 Sm 0.00000000000000 0.80067317690090 0.75000000000000 150.360 > 7 9 Sm 0.19978506900885 0.06152642905033 0.68160348259672 150.360 > 9 10 Sm 0.19978506900885 0.56152642905033 0.68160348259672 150.360 > 9 11 Sm 0.00000000000000 0.19932682309910 0.25000000000000 150.360 > 11 12 Sm 0.00000000000000 0.69932682309910 0.25000000000000 150.360 > 11 13 Sm 0.80021493099115 0.06152642905033 0.81839651740328 150.360 > 1 14 Sm 0.80021493099115 0.56152642905033 0.81839651740328 150.360 > 1 15 Sm 0.69978506900885 0.18847357094967 0.18160348259673 150.360 > 3 16 Sm 0.69978506900885 0.68847357094967 0.18160348259673 150.360 > 3 17 Sm 0.80021493099115 0.43847357094967 0.31839651740328 150.360 > 5 18 Sm 0.80021493099115 0.93847357094967 0.31839651740328 150.360 > 5 19 Sm 0.50000000000000 0.05067317690090 0.75000000000000 150.360 > 7 20 Sm 0.50000000000000 0.55067317690090 0.75000000000000 150.360 > 7 21 Sm 0.69978506900885 0.31152642905033 0.68160348259672 150.360 > 9 22 Sm 0.69978506900885 0.81152642905033 0.68160348259672 150.360 > 9 23 Sm 0.50000000000000 0.44932682309910 0.25000000000000 150.360 > 11 24 Sm 0.50000000000000 0.94932682309910 0.25000000000000 150.360 > 11 25 Si 0.15962213141585 0.26858025914185 0.52823891831269 28.085 > 25 26 Si 0.15962213141585 0.76858025914185 0.52823891831269 28.085 > 25 27 Si 0.34037786858415 0.01858025914185 0.97176108168731 28.085 > 27 28 Si 0.34037786858415 0.51858025914185 0.97176108168731 28.085 > 27 29 Si 0.15962213141585 0.23141974085815 0.02823891831269 28.085 > 29 30 Si 0.15962213141585 0.73141974085815 0.02823891831269 28.085 > 29 31 Si 0.34037786858415 0.48141974085815 0.47176108168731 28.085 > 31 32 Si 0.34037786858415 0.98141974085815 0.47176108168731 28.085 > 31 33 Si 0.65962213141585 0.01858025914185 0.52823891831269 28.085 > 25 34 Si 0.65962213141585 0.51858025914185 0.52823891831269 28.085 > 25 35 Si 0.84037786858415 0.26858025914185 0.97176108168731 28.085 > 27 36 Si 0.84037786858415 0.76858025914185 0.97176108168731 28.085 > 27 37 Si 0.65962213141585 0.48141974085815 0.02823891831269 28.085 > 29 38 Si 0.65962213141585 0.98141974085815 0.02823891831269 28.085 > 29 39 Si 0.84037786858415 0.23141974085815 0.47176108168731 28.085 > 31 40 Si 0.84037786858415 0.73141974085815 0.47176108168731 28.085 > 31 41 S 0.14493790991561 0.12476471529041 0.14876198939169 32.065 > 41 42 S 0.14493790991561 0.62476471529041 0.14876198939169 32.065 > 41 43 S 0.14837390896812 0.19969093716581 0.83318783229463 32.065 > 43 44 S 0.14837390896812 0.69969093716581 0.83318783229463 32.065 > 43 45 S 0.28480134850308 0.28532884449177 0.08572583963991 32.065 > 45 46 S 0.28480134850308 0.78532884449177 0.08572583963991 32.065 > 45 47 S 0.35162609103188 0.44969093716581 0.66681216770537 32.065 > 47 48 S 0.35162609103188 0.94969093716581 0.66681216770537 32.065 > 47 49 S 0.35506209008439 0.12523528470959 0.85123801060831 32.065 > 49 50 S 0.35506209008439 0.62523528470959 0.85123801060831 32.065 > 49 51 S 0.21519865149692 0.46467115550823 0.91427416036009 32.065 > 51 52 S 0.21519865149692 0.96467115550823 0.91427416036009 32.065 > 51 53 S 0.14493790991561 0.37523528470959 0.64876198939169 32.065 > 53 54 S 0.14493790991561 0.87523528470959 0.64876198939169 32.065 > 53 55 S 0.35162609103188 0.05030906283419 0.16681216770537 32.065 > 55 56 S 0.35162609103188 0.55030906283419 0.16681216770537 32.065 > 55 57 S 0.21519865149692 0.03532884449177 0.41427416036009 32.065 > 57 58 S 0.21519865149692 0.53532884449177 0.41427416036009 32.065 > 57 59 S 0.28480134850308 0.21467115550823 0.58572583963991 32.065 > 59 60 S 0.28480134850308 0.71467115550823 0.58572583963991 32.065 > 59 61 S 0.06585732280873 0.17069610843518 0.54185509636032 32.065 > 61 62 S 0.06585732280873 0.67069610843518 0.54185509636032 32.065 > 61 63 S 0.43414267719127 0.07930389156482 0.45814490363968 32.065 > 63 64 S 0.43414267719127 0.57930389156482 0.45814490363968 32.065 > 63 65 S 0.14837390896812 0.30030906283419 0.33318783229463 32.065 > 65 66 S 0.14837390896812 0.80030906283419 0.33318783229463 32.065 > 65 67 S 0.35506209008439 0.37476471529041 0.35123801060831 32.065 > 67 68 S 0.35506209008439 0.87476471529041 0.35123801060831 32.065 > 67 69 S 0.43414267719127 0.42069610843518 0.95814490363968 32.065 > 69 70 S 0.43414267719127 0.92069610843518 0.95814490363968 32.065 > 69 71 S 0.06585732280873 0.32930389156482 0.04185509636032 32.065 > 71 72 S 0.06585732280873 0.82930389156482 0.04185509636032 32.065 > 71 73 S 0.64493790991561 0.37476471529041 0.14876198939169 32.065 > 41 74 S 0.64493790991561 0.87476471529041 0.14876198939169 32.065 > 41 75 S 0.64837390896812 0.44969093716581 0.83318783229463 32.065 > 43 76 S 0.64837390896812 0.94969093716581 0.83318783229463 32.065 > 43 77 S 0.78480134850308 0.03532884449177 0.08572583963991 32.065 > 45 78 S 0.78480134850308 0.53532884449177 0.08572583963991 32.065 > 45 79 S 0.85162609103188 0.19969093716581 0.66681216770537 32.065 > 47 80 S 0.85162609103188 0.69969093716581 0.66681216770537 32.065 > 47 81 S 0.85506209008439 0.37523528470959 0.85123801060831 32.065 > 49 82 S 0.85506209008439 0.87523528470959 0.85123801060831 32.065 > 49 83 S 0.71519865149692 0.21467115550823 0.91427416036009 32.065 > 51 84 S 0.71519865149692 0.71467115550823 0.91427416036009 32.065 > 51 85 S 0.64493790991561 0.12523528470959 0.64876198939169 32.065 > 53 86 S 0.64493790991561 0.62523528470959 0.64876198939169 32.065 > 53 87 S 0.85162609103188 0.30030906283419 0.16681216770537 32.065 > 55 88 S 0.85162609103188 0.80030906283419 0.16681216770537 32.065 > 55 89 S 0.71519865149692 0.28532884449177 0.41427416036009 32.065 > 57 90 S 0.71519865149692 0.78532884449177 0.41427416036009 32.065 > 57 91 S 0.78480134850308 0.46467115550823 0.58572583963991 32.065 > 59 92 S 0.78480134850308 0.96467115550823 0.58572583963991 32.065 > 59 93 S 0.56585732280873 0.42069610843518 0.54185509636032 32.065 > 61 94 S 0.56585732280873 0.92069610843518 0.54185509636032 32.065 > 61 95 S 0.93414267719127 0.32930389156482 0.45814490363968 32.065 > 63 96 S 0.93414267719127 0.82930389156482 0.45814490363968 32.065 > 63 97 S 0.64837390896812 0.05030906283419 0.33318783229463 32.065 > 65 98 S 0.64837390896812 0.55030906283419 0.33318783229463 32.065 > 65 99 S 0.85506209008439 0.12476471529041 0.35123801060831 32.065 > 67 100 S 0.85506209008439 0.62476471529041 0.35123801060831 32.065 > 67 101 S 0.93414267719127 0.17069610843518 0.95814490363968 32.065 > 69 102 S 0.93414267719127 0.67069610843518 0.95814490363968 32.065 > 69 103 S 0.56585732280873 0.07930389156482 0.04185509636032 32.065 > 71 104 S 0.56585732280873 0.57930389156482 0.04185509636032 32.065 > 71 105 I 0.00000000000000 0.00753315622629 0.75000000000000 126.904 > 105 106 I 0.00000000000000 0.50753315622629 0.75000000000000 126.904 > 105 107 I 0.00000000000000 0.49246684377371 0.25000000000000 126.904 > 107 108 I 0.00000000000000 0.99246684377371 0.25000000000000 126.904 > 107 109 I 0.50000000000000 0.25753315622629 0.75000000000000 126.904 > 105 110 I 0.50000000000000 0.75753315622629 0.75000000000000 126.904 > 105 111 I 0.50000000000000 0.24246684377371 0.25000000000000 126.904 > 107 112 I 0.50000000000000 0.74246684377371 0.25000000000000 126.904 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9993007 0.0000000 -0.0455702 0.0000000 6.8401660 0.0000000 -0.0455710 0.0000000 7.0153104 -------------------------- Born effective charges -------------------------- 1 Sm 3.5866649 0.3046368 -0.0708571 0.1707489 4.2929555 0.2516878 -0.2414940 -0.0326566 3.8411931 2 Sm 3.5866649 0.3046368 -0.0708571 0.1707489 4.2929555 0.2516878 -0.2414940 -0.0326566 3.8411931 3 Sm 3.5866649 -0.3046368 -0.0708571 -0.1707489 4.2929555 -0.2516878 -0.2414940 0.0326566 3.8411931 4 Sm 4.6382756 -0.0000000 -0.0964561 -0.0000000 3.1231450 -0.0000000 0.0026887 0.0000000 3.8336334 5 Sm 3.5866649 -0.3046368 -0.0708571 -0.1707489 4.2929555 -0.2516878 -0.2414940 0.0326566 3.8411931 6 Sm 4.6382756 -0.0000000 -0.0964561 -0.0000000 3.1231450 -0.0000000 0.0026887 0.0000000 3.8336334 7 Si 2.3449229 0.0135822 -0.1837366 -0.3643332 2.4802033 0.2557794 -0.0448000 0.1470758 3.4327008 8 Si 2.3449229 -0.0135822 -0.1837366 0.3643332 2.4802033 -0.2557794 -0.0448000 -0.1470758 3.4327008 9 Si 2.3449229 -0.0135822 -0.1837366 0.3643332 2.4802033 -0.2557794 -0.0448000 -0.1470758 3.4327008 10 Si 2.3449229 0.0135822 -0.1837366 -0.3643332 2.4802033 0.2557794 -0.0448000 0.1470758 3.4327008 11 S -1.7529790 0.1574514 0.0829193 0.1937929 -2.3640897 0.5610569 0.1624461 0.4549407 -1.7015111 12 S -1.8694491 0.2696240 0.1807046 0.2413556 -1.6719898 -0.4456609 0.2203818 -0.5682343 -2.5058313 13 S -1.5938809 -0.3233538 0.0684199 -0.3731954 -1.7173958 0.1097316 0.0718031 0.1856661 -2.5531434 14 S -1.8694491 -0.2696240 0.1807046 -0.2413556 -1.6719898 0.4456609 0.2203818 0.5682343 -2.5058313 15 S -1.7529790 0.1574514 0.0829193 0.1937929 -2.3640897 0.5610569 0.1624461 0.4549407 -1.7015111 16 S -1.5938809 -0.3233538 0.0684199 -0.3731954 -1.7173958 0.1097316 0.0718031 0.1856661 -2.5531434 17 S -1.7529790 -0.1574514 0.0829193 -0.1937929 -2.3640897 -0.5610569 0.1624461 -0.4549407 -1.7015111 18 S -1.8694491 0.2696240 0.1807046 0.2413556 -1.6719898 -0.4456609 0.2203818 -0.5682343 -2.5058313 19 S -1.5938809 0.3233538 0.0684199 0.3731954 -1.7173958 -0.1097316 0.0718031 -0.1856661 -2.5531434 20 S -1.5938809 0.3233538 0.0684199 0.3731954 -1.7173958 -0.1097316 0.0718031 -0.1856661 -2.5531434 21 S -1.9662828 0.0816945 -0.2183485 0.1370886 -1.7545558 0.0203525 -0.2826182 0.0963043 -2.1839839 22 S -1.9662828 0.0816945 -0.2183485 0.1370886 -1.7545558 0.0203525 -0.2826182 0.0963043 -2.1839839 23 S -1.8694491 -0.2696240 0.1807046 -0.2413556 -1.6719898 0.4456609 0.2203818 0.5682343 -2.5058313 24 S -1.7529790 -0.1574514 0.0829193 -0.1937929 -2.3640897 -0.5610569 0.1624461 -0.4549407 -1.7015111 25 S -1.9662828 -0.0816945 -0.2183485 -0.1370886 -1.7545558 -0.0203525 -0.2826182 -0.0963043 -2.1839839 26 S -1.9662828 -0.0816945 -0.2183485 -0.1370886 -1.7545558 -0.0203525 -0.2826182 -0.0963043 -2.1839839 27 I -2.1362677 -0.0000000 0.3782530 -0.0000000 -1.6534001 -0.0000000 0.2258738 0.0000000 -0.4924818 28 I -2.1362677 -0.0000000 0.3782530 -0.0000000 -1.6534001 -0.0000000 0.2258738 0.0000000 -0.4924818 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 7, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 43, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 45, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 105, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 15:48:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:48:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.784766115038147 -3.835889130000000 0.000000000000000 b 7.784766115038147 3.835889130000000 0.000000000000000 c -1.485227271152878 0.000000000000000 10.535515170587775 Atomic positions (fractional): 1 Sm 0.67716207289049 0.92326778909180 0.81839651740328 150.360 2 Sm 0.32283792710951 0.07673221090820 0.18160348259673 150.360 3 Sm 0.92326778909180 0.67716207289049 0.31839651740328 150.360 4 Sm 0.39865364619820 0.60134635380180 0.75000000000000 150.360 5 Sm 0.07673221090820 0.32283792710951 0.68160348259672 150.360 6 Sm 0.60134635380180 0.39865364619820 0.25000000000000 150.360 7 Si 0.62246161313216 0.69678264969955 0.52823891831269 28.085 8 Si 0.30321735030045 0.37753838686784 0.97176108168731 28.085 9 Si 0.69678264969955 0.62246161313216 0.02823891831269 28.085 10 Si 0.37753838686784 0.30321735030045 0.47176108168731 28.085 11 S 0.89540847933479 0.39446734049643 0.14876198939169 32.065 12 S 0.74899203463650 0.54775578329975 0.83318783229463 32.065 13 S 0.71414365951953 0.85545903748663 0.08572583963991 32.065 14 S 0.45224421670025 0.25100796536350 0.66681216770537 32.065 15 S 0.10459152066521 0.60553265950357 0.85123801060831 32.065 16 S 0.28585634048047 0.14454096251337 0.91427416036009 32.065 17 S 0.39446734049643 0.89540847933479 0.64876198939169 32.065 18 S 0.25100796536350 0.45224421670025 0.16681216770537 32.065 19 S 0.14454096251337 0.28585634048047 0.41427416036009 32.065 20 S 0.85545903748663 0.71414365951953 0.58572583963991 32.065 21 S 0.72446510593838 0.40724953967909 0.54185509636032 32.065 22 S 0.27553489406162 0.59275046032091 0.45814490363968 32.065 23 S 0.54775578329975 0.74899203463650 0.33318783229463 32.065 24 S 0.60553265950357 0.10459152066521 0.35123801060831 32.065 25 S 0.59275046032091 0.27553489406162 0.95814490363968 32.065 26 S 0.40724953967909 0.72446510593838 0.04185509636032 32.065 27 I 0.98493368754742 0.01506631245258 0.75000000000000 126.904 28 I 0.01506631245258 0.98493368754742 0.25000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.569532230076295 0.000000000000000 0.000000000000000 b 0.000000000000000 15.343556520000000 0.000000000000000 c -1.485227271152878 0.000000000000000 10.535515170587775 Atomic positions (fractional): 1 Sm 0.30021493099115 0.31152642905033 0.81839651740328 150.360 > 1 2 Sm 0.30021493099115 0.81152642905033 0.81839651740328 150.360 > 1 3 Sm 0.19978506900885 0.43847357094967 0.18160348259673 150.360 > 3 4 Sm 0.19978506900885 0.93847357094967 0.18160348259673 150.360 > 3 5 Sm 0.30021493099115 0.18847357094967 0.31839651740328 150.360 > 5 6 Sm 0.30021493099115 0.68847357094967 0.31839651740328 150.360 > 5 7 Sm 0.00000000000000 0.30067317690090 0.75000000000000 150.360 > 7 8 Sm 0.00000000000000 0.80067317690090 0.75000000000000 150.360 > 7 9 Sm 0.19978506900885 0.06152642905033 0.68160348259672 150.360 > 9 10 Sm 0.19978506900885 0.56152642905033 0.68160348259672 150.360 > 9 11 Sm 0.00000000000000 0.19932682309910 0.25000000000000 150.360 > 11 12 Sm 0.00000000000000 0.69932682309910 0.25000000000000 150.360 > 11 13 Sm 0.80021493099115 0.06152642905033 0.81839651740328 150.360 > 1 14 Sm 0.80021493099115 0.56152642905033 0.81839651740328 150.360 > 1 15 Sm 0.69978506900885 0.18847357094967 0.18160348259673 150.360 > 3 16 Sm 0.69978506900885 0.68847357094967 0.18160348259673 150.360 > 3 17 Sm 0.80021493099115 0.43847357094967 0.31839651740328 150.360 > 5 18 Sm 0.80021493099115 0.93847357094967 0.31839651740328 150.360 > 5 19 Sm 0.50000000000000 0.05067317690090 0.75000000000000 150.360 > 7 20 Sm 0.50000000000000 0.55067317690090 0.75000000000000 150.360 > 7 21 Sm 0.69978506900885 0.31152642905033 0.68160348259672 150.360 > 9 22 Sm 0.69978506900885 0.81152642905033 0.68160348259672 150.360 > 9 23 Sm 0.50000000000000 0.44932682309910 0.25000000000000 150.360 > 11 24 Sm 0.50000000000000 0.94932682309910 0.25000000000000 150.360 > 11 25 Si 0.15962213141585 0.26858025914185 0.52823891831269 28.085 > 25 26 Si 0.15962213141585 0.76858025914185 0.52823891831269 28.085 > 25 27 Si 0.34037786858415 0.01858025914185 0.97176108168731 28.085 > 27 28 Si 0.34037786858415 0.51858025914185 0.97176108168731 28.085 > 27 29 Si 0.15962213141585 0.23141974085815 0.02823891831269 28.085 > 29 30 Si 0.15962213141585 0.73141974085815 0.02823891831269 28.085 > 29 31 Si 0.34037786858415 0.48141974085815 0.47176108168731 28.085 > 31 32 Si 0.34037786858415 0.98141974085815 0.47176108168731 28.085 > 31 33 Si 0.65962213141585 0.01858025914185 0.52823891831269 28.085 > 25 34 Si 0.65962213141585 0.51858025914185 0.52823891831269 28.085 > 25 35 Si 0.84037786858415 0.26858025914185 0.97176108168731 28.085 > 27 36 Si 0.84037786858415 0.76858025914185 0.97176108168731 28.085 > 27 37 Si 0.65962213141585 0.48141974085815 0.02823891831269 28.085 > 29 38 Si 0.65962213141585 0.98141974085815 0.02823891831269 28.085 > 29 39 Si 0.84037786858415 0.23141974085815 0.47176108168731 28.085 > 31 40 Si 0.84037786858415 0.73141974085815 0.47176108168731 28.085 > 31 41 S 0.14493790991561 0.12476471529041 0.14876198939169 32.065 > 41 42 S 0.14493790991561 0.62476471529041 0.14876198939169 32.065 > 41 43 S 0.14837390896812 0.19969093716581 0.83318783229463 32.065 > 43 44 S 0.14837390896812 0.69969093716581 0.83318783229463 32.065 > 43 45 S 0.28480134850308 0.28532884449177 0.08572583963991 32.065 > 45 46 S 0.28480134850308 0.78532884449177 0.08572583963991 32.065 > 45 47 S 0.35162609103188 0.44969093716581 0.66681216770537 32.065 > 47 48 S 0.35162609103188 0.94969093716581 0.66681216770537 32.065 > 47 49 S 0.35506209008439 0.12523528470959 0.85123801060831 32.065 > 49 50 S 0.35506209008439 0.62523528470959 0.85123801060831 32.065 > 49 51 S 0.21519865149692 0.46467115550823 0.91427416036009 32.065 > 51 52 S 0.21519865149692 0.96467115550823 0.91427416036009 32.065 > 51 53 S 0.14493790991561 0.37523528470959 0.64876198939169 32.065 > 53 54 S 0.14493790991561 0.87523528470959 0.64876198939169 32.065 > 53 55 S 0.35162609103188 0.05030906283419 0.16681216770537 32.065 > 55 56 S 0.35162609103188 0.55030906283419 0.16681216770537 32.065 > 55 57 S 0.21519865149692 0.03532884449177 0.41427416036009 32.065 > 57 58 S 0.21519865149692 0.53532884449177 0.41427416036009 32.065 > 57 59 S 0.28480134850308 0.21467115550823 0.58572583963991 32.065 > 59 60 S 0.28480134850308 0.71467115550823 0.58572583963991 32.065 > 59 61 S 0.06585732280873 0.17069610843518 0.54185509636032 32.065 > 61 62 S 0.06585732280873 0.67069610843518 0.54185509636032 32.065 > 61 63 S 0.43414267719127 0.07930389156482 0.45814490363968 32.065 > 63 64 S 0.43414267719127 0.57930389156482 0.45814490363968 32.065 > 63 65 S 0.14837390896812 0.30030906283419 0.33318783229463 32.065 > 65 66 S 0.14837390896812 0.80030906283419 0.33318783229463 32.065 > 65 67 S 0.35506209008439 0.37476471529041 0.35123801060831 32.065 > 67 68 S 0.35506209008439 0.87476471529041 0.35123801060831 32.065 > 67 69 S 0.43414267719127 0.42069610843518 0.95814490363968 32.065 > 69 70 S 0.43414267719127 0.92069610843518 0.95814490363968 32.065 > 69 71 S 0.06585732280873 0.32930389156482 0.04185509636032 32.065 > 71 72 S 0.06585732280873 0.82930389156482 0.04185509636032 32.065 > 71 73 S 0.64493790991561 0.37476471529041 0.14876198939169 32.065 > 41 74 S 0.64493790991561 0.87476471529041 0.14876198939169 32.065 > 41 75 S 0.64837390896812 0.44969093716581 0.83318783229463 32.065 > 43 76 S 0.64837390896812 0.94969093716581 0.83318783229463 32.065 > 43 77 S 0.78480134850308 0.03532884449177 0.08572583963991 32.065 > 45 78 S 0.78480134850308 0.53532884449177 0.08572583963991 32.065 > 45 79 S 0.85162609103188 0.19969093716581 0.66681216770537 32.065 > 47 80 S 0.85162609103188 0.69969093716581 0.66681216770537 32.065 > 47 81 S 0.85506209008439 0.37523528470959 0.85123801060831 32.065 > 49 82 S 0.85506209008439 0.87523528470959 0.85123801060831 32.065 > 49 83 S 0.71519865149692 0.21467115550823 0.91427416036009 32.065 > 51 84 S 0.71519865149692 0.71467115550823 0.91427416036009 32.065 > 51 85 S 0.64493790991561 0.12523528470959 0.64876198939169 32.065 > 53 86 S 0.64493790991561 0.62523528470959 0.64876198939169 32.065 > 53 87 S 0.85162609103188 0.30030906283419 0.16681216770537 32.065 > 55 88 S 0.85162609103188 0.80030906283419 0.16681216770537 32.065 > 55 89 S 0.71519865149692 0.28532884449177 0.41427416036009 32.065 > 57 90 S 0.71519865149692 0.78532884449177 0.41427416036009 32.065 > 57 91 S 0.78480134850308 0.46467115550823 0.58572583963991 32.065 > 59 92 S 0.78480134850308 0.96467115550823 0.58572583963991 32.065 > 59 93 S 0.56585732280873 0.42069610843518 0.54185509636032 32.065 > 61 94 S 0.56585732280873 0.92069610843518 0.54185509636032 32.065 > 61 95 S 0.93414267719127 0.32930389156482 0.45814490363968 32.065 > 63 96 S 0.93414267719127 0.82930389156482 0.45814490363968 32.065 > 63 97 S 0.64837390896812 0.05030906283419 0.33318783229463 32.065 > 65 98 S 0.64837390896812 0.55030906283419 0.33318783229463 32.065 > 65 99 S 0.85506209008439 0.12476471529041 0.35123801060831 32.065 > 67 100 S 0.85506209008439 0.62476471529041 0.35123801060831 32.065 > 67 101 S 0.93414267719127 0.17069610843518 0.95814490363968 32.065 > 69 102 S 0.93414267719127 0.67069610843518 0.95814490363968 32.065 > 69 103 S 0.56585732280873 0.07930389156482 0.04185509636032 32.065 > 71 104 S 0.56585732280873 0.57930389156482 0.04185509636032 32.065 > 71 105 I 0.00000000000000 0.00753315622629 0.75000000000000 126.904 > 105 106 I 0.00000000000000 0.50753315622629 0.75000000000000 126.904 > 105 107 I 0.00000000000000 0.49246684377371 0.25000000000000 126.904 > 107 108 I 0.00000000000000 0.99246684377371 0.25000000000000 126.904 > 107 109 I 0.50000000000000 0.25753315622629 0.75000000000000 126.904 > 105 110 I 0.50000000000000 0.75753315622629 0.75000000000000 126.904 > 105 111 I 0.50000000000000 0.24246684377371 0.25000000000000 126.904 > 107 112 I 0.50000000000000 0.74246684377371 0.25000000000000 126.904 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9993007 0.0000000 -0.0455702 0.0000000 6.8401660 0.0000000 -0.0455710 0.0000000 7.0153104 -------------------------- Born effective charges -------------------------- 1 Sm 3.5866649 0.3046368 -0.0708571 0.1707489 4.2929555 0.2516878 -0.2414940 -0.0326566 3.8411931 2 Sm 3.5866649 0.3046368 -0.0708571 0.1707489 4.2929555 0.2516878 -0.2414940 -0.0326566 3.8411931 3 Sm 3.5866649 -0.3046368 -0.0708571 -0.1707489 4.2929555 -0.2516878 -0.2414940 0.0326566 3.8411931 4 Sm 4.6382756 -0.0000000 -0.0964561 -0.0000000 3.1231450 -0.0000000 0.0026887 0.0000000 3.8336334 5 Sm 3.5866649 -0.3046368 -0.0708571 -0.1707489 4.2929555 -0.2516878 -0.2414940 0.0326566 3.8411931 6 Sm 4.6382756 -0.0000000 -0.0964561 -0.0000000 3.1231450 -0.0000000 0.0026887 0.0000000 3.8336334 7 Si 2.3449229 0.0135822 -0.1837366 -0.3643332 2.4802033 0.2557794 -0.0448000 0.1470758 3.4327008 8 Si 2.3449229 -0.0135822 -0.1837366 0.3643332 2.4802033 -0.2557794 -0.0448000 -0.1470758 3.4327008 9 Si 2.3449229 -0.0135822 -0.1837366 0.3643332 2.4802033 -0.2557794 -0.0448000 -0.1470758 3.4327008 10 Si 2.3449229 0.0135822 -0.1837366 -0.3643332 2.4802033 0.2557794 -0.0448000 0.1470758 3.4327008 11 S -1.7529790 0.1574514 0.0829193 0.1937929 -2.3640897 0.5610569 0.1624461 0.4549407 -1.7015111 12 S -1.8694491 0.2696240 0.1807046 0.2413556 -1.6719898 -0.4456609 0.2203818 -0.5682343 -2.5058313 13 S -1.5938809 -0.3233538 0.0684199 -0.3731954 -1.7173958 0.1097316 0.0718031 0.1856661 -2.5531434 14 S -1.8694491 -0.2696240 0.1807046 -0.2413556 -1.6719898 0.4456609 0.2203818 0.5682343 -2.5058313 15 S -1.7529790 0.1574514 0.0829193 0.1937929 -2.3640897 0.5610569 0.1624461 0.4549407 -1.7015111 16 S -1.5938809 -0.3233538 0.0684199 -0.3731954 -1.7173958 0.1097316 0.0718031 0.1856661 -2.5531434 17 S -1.7529790 -0.1574514 0.0829193 -0.1937929 -2.3640897 -0.5610569 0.1624461 -0.4549407 -1.7015111 18 S -1.8694491 0.2696240 0.1807046 0.2413556 -1.6719898 -0.4456609 0.2203818 -0.5682343 -2.5058313 19 S -1.5938809 0.3233538 0.0684199 0.3731954 -1.7173958 -0.1097316 0.0718031 -0.1856661 -2.5531434 20 S -1.5938809 0.3233538 0.0684199 0.3731954 -1.7173958 -0.1097316 0.0718031 -0.1856661 -2.5531434 21 S -1.9662828 0.0816945 -0.2183485 0.1370886 -1.7545558 0.0203525 -0.2826182 0.0963043 -2.1839839 22 S -1.9662828 0.0816945 -0.2183485 0.1370886 -1.7545558 0.0203525 -0.2826182 0.0963043 -2.1839839 23 S -1.8694491 -0.2696240 0.1807046 -0.2413556 -1.6719898 0.4456609 0.2203818 0.5682343 -2.5058313 24 S -1.7529790 -0.1574514 0.0829193 -0.1937929 -2.3640897 -0.5610569 0.1624461 -0.4549407 -1.7015111 25 S -1.9662828 -0.0816945 -0.2183485 -0.1370886 -1.7545558 -0.0203525 -0.2826182 -0.0963043 -2.1839839 26 S -1.9662828 -0.0816945 -0.2183485 -0.1370886 -1.7545558 -0.0203525 -0.2826182 -0.0963043 -2.1839839 27 I -2.1362677 -0.0000000 0.3782530 -0.0000000 -1.6534001 -0.0000000 0.2258738 0.0000000 -0.4924818 28 I -2.1362677 -0.0000000 0.3782530 -0.0000000 -1.6534001 -0.0000000 0.2258738 0.0000000 -0.4924818 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 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 1.221 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.387 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.102 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.826 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.178 ( 0.000 0.000 0.000) 0.000 15.346 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 0.000) 0.000 15.618 ( 0.000 0.000 0.000) 0.000 15.806 ( 0.000 0.000 0.000) 0.000 15.812 ( 0.000 0.000 0.000) 0.000 15.814 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.072 ( 0.000 0.000 0.000) 0.000 16.249 ( 0.000 0.000 0.000) 0.000 16.300 ( 0.000 0.000 0.000) 0.000 16.349 ( 0.000 0.000 0.000) 0.000 16.846 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.692 -23.977 0.368) 23.990 0.533 ( 4.356 -25.060 2.551) 25.564 0.929 ( 22.980 -35.865 -1.543) 42.623 1.204 ( -1.508 1.250 0.056) 1.959 1.327 ( -0.497 0.266 0.033) 0.564 1.635 ( -2.639 -2.922 -0.160) 3.941 1.716 ( 3.747 -5.164 1.440) 6.541 1.823 ( 1.472 -2.706 0.090) 3.082 2.025 ( 0.632 -0.718 -1.547) 1.819 2.175 ( -3.070 -0.501 0.452) 3.144 2.276 ( -4.438 5.331 2.405) 7.342 2.352 ( 1.491 3.964 -0.607) 4.278 2.448 ( -0.419 3.600 -2.256) 4.270 2.535 ( 5.579 2.630 -0.198) 6.171 2.572 ( -0.188 -3.091 -0.233) 3.106 2.632 ( -1.279 4.481 1.613) 4.931 2.686 ( 3.065 3.500 -0.795) 4.720 2.956 ( 1.764 7.835 0.078) 8.031 2.997 ( -0.064 3.555 0.053) 3.556 3.074 ( -0.990 0.377 0.061) 1.061 3.148 ( 1.050 1.422 -1.579) 2.370 3.248 ( -3.890 2.935 1.625) 5.137 3.346 ( 2.080 -5.007 -1.809) 5.715 3.534 ( -0.394 4.854 0.274) 4.878 3.717 ( -1.926 -4.902 0.152) 5.269 3.830 ( -0.393 -2.364 -0.211) 2.406 3.988 ( -1.447 -2.748 0.046) 3.106 4.062 ( -1.225 4.475 -0.192) 4.644 4.093 ( -0.385 -3.396 1.616) 3.780 4.146 ( -4.310 -2.796 4.535) 6.852 4.218 ( 1.888 -0.479 -8.861) 9.073 4.267 ( 0.796 -2.645 1.268) 3.039 4.362 ( 3.595 0.812 5.668) 6.761 4.436 ( -0.485 0.712 0.396) 0.948 4.613 ( 2.463 1.107 -6.199) 6.761 4.686 ( -2.162 3.225 0.428) 3.906 4.746 ( 1.342 -0.709 3.455) 3.774 4.975 ( -4.802 -1.289 3.304) 5.969 5.125 ( -1.177 -0.838 -1.033) 1.776 5.165 ( 2.435 0.312 -5.868) 6.361 5.213 ( 2.636 1.678 1.930) 3.672 5.432 ( -0.897 1.394 -2.380) 2.900 5.558 ( -2.065 -1.920 -4.176) 5.039 5.605 ( 0.957 -2.860 4.255) 5.215 5.864 ( -0.507 -2.143 2.492) 3.326 5.991 ( -1.727 0.202 -1.932) 2.600 6.081 ( -0.174 3.288 1.700) 3.706 6.171 ( 0.573 -4.590 0.029) 4.626 6.232 ( -2.369 -3.464 -0.960) 4.305 6.268 ( -0.466 3.503 2.756) 4.481 6.346 ( 0.343 0.177 -0.025) 0.386 6.741 ( 0.777 4.880 -0.203) 4.946 7.000 ( -4.420 4.736 2.421) 6.916 7.050 ( -2.591 0.128 -0.747) 2.699 7.231 ( 2.903 2.372 1.617) 4.082 7.344 ( 3.578 5.333 -0.478) 6.440 7.623 ( 1.184 -5.152 -0.717) 5.334 7.683 ( -11.701 -6.014 3.723) 13.673 7.881 ( 5.067 4.624 -0.981) 6.929 7.998 ( -0.924 3.371 1.492) 3.801 8.135 ( 11.041 3.201 -10.933) 15.864 8.261 ( -2.392 -5.079 5.616) 7.941 8.304 ( 3.538 -0.297 3.061) 4.687 8.387 ( 0.671 -0.809 -1.224) 1.613 8.478 ( 1.841 -2.375 -3.856) 4.889 8.593 ( -2.492 0.037 0.109) 2.495 8.810 ( 1.005 2.132 0.873) 2.514 8.913 ( 0.176 0.710 -0.044) 0.733 11.892 ( -0.237 -0.484 -0.705) 0.887 11.976 ( 0.319 0.762 0.739) 1.109 11.981 ( 0.472 -0.704 0.179) 0.866 12.182 ( -0.797 0.551 -0.388) 1.043 15.357 ( -0.447 -1.441 -0.416) 1.565 15.560 ( -5.255 -4.603 -3.336) 7.742 15.619 ( -0.759 0.825 6.116) 6.218 15.788 ( 2.788 3.332 -1.733) 4.678 15.812 ( -0.284 -0.072 -0.936) 0.981 15.851 ( 3.767 1.919 0.146) 4.231 16.078 ( 0.421 -0.148 0.063) 0.451 16.233 ( -3.070 0.822 -1.563) 3.542 16.302 ( 3.146 -0.311 0.148) 3.165 16.357 ( 0.136 -1.641 -4.332) 4.635 16.390 ( -2.560 -2.633 6.181) 7.190 16.884 ( -5.843 2.092 -0.154) 6.208 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 3.009 -20.912 -0.080) 21.127 0.987 ( 2.724 -18.294 3.805) 18.883 1.153 ( -2.139 1.810 0.234) 2.812 1.311 ( -0.268 -0.878 -1.880) 2.092 1.665 ( -3.291 -2.559 -1.570) 4.455 1.686 ( 13.098 -21.441 -2.388) 25.238 1.825 ( -3.101 -6.050 4.980) 8.428 1.949 ( 6.686 -6.171 0.564) 9.116 2.051 ( 2.056 -0.995 -1.525) 2.747 2.101 ( -5.147 2.190 0.681) 5.634 2.228 ( 1.465 -1.669 0.041) 2.221 2.307 ( 2.159 1.842 -0.602) 2.901 2.370 ( -1.997 2.562 -1.944) 3.786 2.480 ( 0.478 5.836 3.307) 6.725 2.553 ( -1.883 3.044 -1.061) 3.733 2.558 ( 0.756 6.633 -0.872) 6.733 2.653 ( 6.813 2.621 -0.648) 7.328 2.817 ( 2.802 7.582 3.266) 8.718 2.918 ( -0.925 4.069 -0.013) 4.173 3.028 ( -0.183 1.115 -0.670) 1.313 3.166 ( 2.998 -1.960 -4.728) 5.931 3.229 ( -1.324 -1.927 1.341) 2.695 3.414 ( -0.905 4.105 -0.862) 4.291 3.436 ( -0.783 0.152 2.287) 2.422 3.765 ( -4.852 -1.824 -0.222) 5.188 3.868 ( -0.850 -0.069 0.432) 0.956 3.962 ( -2.723 0.596 1.420) 3.129 4.007 ( 0.990 0.421 0.421) 1.155 4.145 ( -4.177 -2.705 1.612) 5.231 4.184 ( 1.284 -1.666 1.182) 2.413 4.230 ( 1.374 0.029 -2.765) 3.088 4.324 ( 1.999 -1.262 -0.123) 2.367 4.360 ( -0.169 0.715 -0.777) 1.070 4.433 ( 0.523 -0.358 0.970) 1.159 4.607 ( -4.055 -1.240 -4.495) 6.180 4.617 ( 2.398 2.364 -1.111) 3.546 4.790 ( 1.441 -1.653 3.284) 3.949 4.940 ( -1.792 1.957 1.037) 2.849 5.104 ( -1.088 0.446 -4.918) 5.057 5.183 ( 1.477 0.873 3.322) 3.739 5.219 ( 1.682 -0.378 -0.061) 1.725 5.420 ( 1.973 0.179 -1.374) 2.411 5.565 ( -1.351 -1.321 -3.486) 3.965 5.681 ( 2.178 -2.682 5.041) 6.111 5.907 ( -3.452 -2.051 4.410) 5.964 5.960 ( -1.601 -0.026 -5.531) 5.758 6.027 ( -0.118 1.858 -0.627) 1.964 6.166 ( 0.860 4.619 2.134) 5.161 6.246 ( -3.931 0.028 2.926) 4.901 6.292 ( -0.809 -5.105 -1.869) 5.496 6.374 ( 2.420 -2.800 0.644) 3.757 6.641 ( -1.257 4.727 -0.744) 4.948 6.879 ( -5.033 2.386 0.139) 5.571 7.041 ( 0.220 0.912 1.302) 1.604 7.174 ( 0.253 4.643 0.122) 4.651 7.269 ( 2.926 5.244 -1.398) 6.165 7.691 ( -6.331 -3.148 0.369) 7.080 7.699 ( 2.624 0.029 0.029) 2.624 7.829 ( 1.693 2.100 -1.716) 3.197 7.991 ( 3.713 0.235 1.989) 4.219 8.172 ( 1.813 -1.830 -2.099) 3.323 8.302 ( 0.423 -0.523 6.158) 6.195 8.334 ( 0.016 -0.316 -0.236) 0.395 8.447 ( 0.965 -4.350 -1.538) 4.714 8.509 ( -2.843 -0.637 -5.022) 5.806 8.591 ( 1.436 -1.157 0.143) 1.850 8.777 ( 2.228 2.680 1.816) 3.930 8.891 ( -0.516 1.533 -0.413) 1.670 11.900 ( -0.647 -0.808 -0.976) 1.423 11.962 ( 0.621 1.192 0.907) 1.622 12.009 ( 0.791 -1.559 0.603) 1.850 12.156 ( -0.742 1.417 -0.600) 1.708 15.389 ( -0.688 -2.526 -0.666) 2.702 15.556 ( -0.093 2.690 1.497) 3.080 15.641 ( -1.369 -4.117 0.019) 4.338 15.758 ( 1.849 1.805 -0.524) 2.636 15.805 ( -0.572 0.390 -1.331) 1.500 15.847 ( 0.912 0.808 0.470) 1.306 16.081 ( 0.453 0.210 -0.089) 0.507 16.179 ( -2.317 1.747 -0.577) 2.959 16.348 ( 3.360 -0.392 2.397) 4.146 16.384 ( -1.530 -1.927 3.661) 4.411 16.431 ( 0.115 -3.081 -4.889) 5.780 16.767 ( -4.400 4.829 0.237) 6.537 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.868 0.946 0.200) 1.299 1.188 ( 1.868 -3.249 0.508) 3.782 1.292 ( -0.106 -14.407 1.794) 14.518 1.365 ( 1.868 -3.360 -1.098) 3.998 1.613 ( -1.418 5.676 -1.482) 6.035 1.884 ( -1.299 -4.029 -0.262) 4.241 1.922 ( -2.974 -3.795 4.044) 6.293 2.053 ( -0.969 -0.885 -1.491) 1.986 2.099 ( -0.477 -5.166 0.593) 5.222 2.142 ( 7.481 -2.957 -1.546) 8.191 2.271 ( -4.105 0.694 -1.012) 4.285 2.274 ( -1.599 8.442 1.720) 8.763 2.356 ( 2.779 -3.563 0.076) 4.519 2.388 ( 1.471 7.377 -0.475) 7.538 2.438 ( 0.612 1.871 0.961) 2.191 2.466 ( 0.879 1.071 -3.380) 3.653 2.670 ( 2.445 2.227 0.138) 3.310 2.827 ( -1.856 0.355 3.346) 3.843 2.918 ( 11.200 -7.941 0.425) 13.736 3.066 ( 1.114 -3.107 -1.057) 3.466 3.213 ( -1.461 0.468 -3.130) 3.485 3.256 ( 3.948 -0.713 -4.804) 6.258 3.282 ( -3.756 5.299 5.393) 8.442 3.387 ( -5.331 3.928 1.501) 6.790 3.680 ( -3.093 2.616 -0.319) 4.063 3.861 ( -0.146 -0.587 0.439) 0.747 3.978 ( -1.627 -1.378 0.315) 2.155 4.005 ( 0.443 0.626 0.829) 1.129 4.161 ( -1.027 -2.496 0.200) 2.707 4.195 ( 1.926 1.367 -0.778) 2.487 4.216 ( -2.106 1.269 0.641) 2.541 4.336 ( -0.205 -0.196 -0.194) 0.344 4.377 ( 0.961 -1.138 -0.506) 1.573 4.444 ( 1.044 0.327 -1.295) 1.696 4.598 ( 0.213 -0.208 3.583) 3.596 4.621 ( -1.039 -1.117 -4.410) 4.666 4.834 ( 0.391 -1.969 1.237) 2.358 4.886 ( 0.113 2.757 -0.106) 2.761 5.085 ( -0.560 0.209 -1.674) 1.777 5.185 ( 0.931 0.321 1.476) 1.774 5.237 ( 0.037 -0.488 0.011) 0.490 5.438 ( 0.968 -0.296 -0.767) 1.270 5.583 ( 0.893 -0.865 -0.579) 1.372 5.734 ( 0.849 -0.665 2.329) 2.566 5.860 ( -3.952 1.082 0.160) 4.100 5.970 ( 0.640 -1.146 -2.517) 2.838 6.019 ( -0.697 -0.100 0.331) 0.778 6.117 ( 1.566 1.484 0.439) 2.202 6.196 ( -2.148 1.620 2.484) 3.662 6.331 ( -1.109 -0.932 -1.412) 2.022 6.480 ( 2.380 -4.494 0.408) 5.102 6.561 ( -1.342 2.832 -0.004) 3.133 6.830 ( -2.531 -0.606 -0.474) 2.645 7.013 ( 1.521 2.674 1.289) 3.335 7.097 ( -1.007 2.129 -0.237) 2.367 7.220 ( 1.264 1.785 -0.950) 2.384 7.669 ( -1.382 0.643 -0.103) 1.528 7.709 ( 0.153 -0.284 0.108) 0.340 7.828 ( 0.500 0.061 -0.618) 0.797 8.027 ( 1.874 -0.411 0.365) 1.953 8.228 ( 0.579 -2.795 0.163) 2.859 8.288 ( -0.777 1.830 0.640) 2.088 8.358 ( 1.916 -0.717 2.147) 2.965 8.460 ( -2.410 0.906 -2.367) 3.497 8.540 ( -1.308 -4.809 0.359) 4.996 8.603 ( 1.421 2.267 -1.777) 3.211 8.783 ( 3.248 -0.620 2.159) 3.949 8.845 ( -1.983 2.013 -1.134) 3.044 11.906 ( -0.442 -0.469 -0.572) 0.862 11.950 ( 0.410 0.649 0.526) 0.931 12.050 ( 0.764 -1.656 0.652) 1.937 12.118 ( -0.683 1.572 -0.622) 1.823 15.436 ( -0.683 -3.249 -0.814) 3.418 15.496 ( 0.450 3.665 1.116) 3.858 15.712 ( -0.105 -3.619 0.030) 3.621 15.750 ( 0.880 0.487 0.138) 1.015 15.778 ( -0.684 1.815 -0.810) 2.102 15.842 ( 0.251 0.270 0.133) 0.392 16.081 ( 0.250 0.083 -0.132) 0.295 16.136 ( -0.926 0.941 -0.044) 1.321 16.371 ( 1.081 0.260 1.976) 2.267 16.408 ( -0.578 -1.115 0.457) 1.337 16.493 ( 1.165 -2.960 -2.654) 4.143 16.647 ( -2.605 3.805 0.690) 4.662 ======================= Grid point 8 (5/72) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 18.224 -0.000 -6.139) 19.230 0.477 ( 25.086 -0.000 -0.200) 25.087 0.787 ( 41.066 -0.000 3.635) 41.227 1.194 ( -2.712 0.000 -0.357) 2.736 1.317 ( -1.835 0.000 -0.224) 1.848 1.588 ( -3.879 0.000 3.597) 5.290 1.722 ( 8.582 -0.000 -0.168) 8.584 1.810 ( 2.098 -0.000 -0.969) 2.312 2.015 ( -0.834 0.000 -3.547) 3.644 2.146 ( 0.622 -0.000 1.369) 1.504 2.305 ( -4.285 0.000 2.343) 4.884 2.352 ( -7.379 0.000 0.069) 7.379 2.509 ( 2.544 -0.000 0.468) 2.587 2.511 ( 1.529 -0.000 0.772) 1.712 2.636 ( -3.188 0.000 -5.042) 5.965 2.722 ( 1.530 -0.000 -0.578) 1.636 2.735 ( 1.225 -0.000 -0.440) 1.302 3.033 ( -0.943 0.000 1.369) 1.663 3.046 ( 0.115 -0.000 -0.983) 0.989 3.066 ( 1.288 -0.000 1.046) 1.659 3.150 ( -0.182 0.000 -0.214) 0.281 3.254 ( -0.871 0.000 -0.740) 1.143 3.322 ( 4.349 -0.000 -4.565) 6.305 3.568 ( -1.904 0.000 1.390) 2.358 3.632 ( -3.543 0.000 1.563) 3.872 3.815 ( 0.841 -0.000 0.994) 1.302 3.915 ( -4.859 0.000 1.797) 5.181 4.047 ( 0.391 -0.000 -1.287) 1.345 4.084 ( 3.220 -0.000 1.317) 3.479 4.122 ( -1.737 0.000 2.258) 2.849 4.177 ( 1.347 -0.000 0.654) 1.497 4.306 ( 4.186 -0.000 -3.919) 5.734 4.423 ( 1.240 -0.000 6.998) 7.107 4.428 ( -1.867 0.000 -2.003) 2.738 4.643 ( -4.862 0.000 -2.980) 5.702 4.694 ( -4.838 0.000 2.443) 5.420 4.798 ( 0.101 -0.000 -3.423) 3.425 4.839 ( 1.074 -0.000 9.584) 9.644 5.109 ( 0.856 -0.000 -2.958) 3.080 5.212 ( 1.039 -0.000 -2.399) 2.615 5.225 ( 4.072 -0.000 -10.216) 10.998 5.411 ( 2.249 -0.000 -1.707) 2.823 5.533 ( -1.171 0.000 1.387) 1.815 5.577 ( 1.169 -0.000 0.443) 1.250 5.841 ( -0.810 0.000 5.977) 6.032 5.978 ( -1.646 0.000 -3.046) 3.462 6.128 ( -0.494 0.000 3.323) 3.360 6.130 ( 0.755 -0.000 1.061) 1.302 6.147 ( -4.158 0.000 -1.636) 4.468 6.296 ( -4.555 0.000 -1.717) 4.868 6.344 ( 2.350 -0.000 3.440) 4.166 6.825 ( -1.598 0.000 -0.798) 1.786 6.947 ( -6.102 0.000 0.532) 6.125 7.052 ( -8.588 0.000 4.323) 9.615 7.382 ( 6.744 -0.000 10.333) 12.339 7.408 ( -1.935 0.000 2.170) 2.907 7.493 ( 6.062 -0.000 -2.566) 6.583 7.557 ( 0.617 -0.000 -1.609) 1.723 7.943 ( 3.496 -0.000 3.130) 4.692 8.101 ( -5.877 0.000 0.897) 5.945 8.114 ( 1.355 -0.000 -0.622) 1.491 8.258 ( 2.967 -0.000 -15.854) 16.130 8.366 ( -1.029 0.000 0.501) 1.145 8.449 ( 0.463 -0.000 -1.024) 1.124 8.507 ( 4.271 -0.000 0.202) 4.276 8.525 ( -3.465 0.000 -0.799) 3.556 8.839 ( 1.070 -0.000 0.824) 1.351 8.931 ( 1.228 -0.000 -0.033) 1.228 11.883 ( -0.789 0.000 -1.351) 1.565 11.979 ( 0.716 -0.000 0.641) 0.962 11.994 ( 0.947 -0.000 0.951) 1.342 12.169 ( -0.767 0.000 -0.612) 0.981 15.348 ( 0.214 -0.000 0.298) 0.367 15.398 ( -0.785 0.000 -0.879) 1.179 15.626 ( -1.162 0.000 4.252) 4.408 15.808 ( -0.410 0.000 0.056) 0.414 15.815 ( 0.175 -0.000 -0.315) 0.360 16.027 ( 1.217 -0.000 -0.532) 1.328 16.084 ( 1.200 -0.000 0.436) 1.276 16.223 ( 2.041 -0.000 -18.666) 18.777 16.264 ( 1.426 -0.000 1.094) 1.797 16.305 ( 0.687 -0.000 -2.073) 2.184 16.362 ( -3.054 0.000 18.723) 18.970 16.810 ( -3.745 0.000 0.141) 3.748 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 11.307 -17.971 0.231) 21.233 0.701 ( 21.214 -6.573 0.523) 22.215 1.154 ( -3.401 1.027 -0.309) 3.566 1.288 ( 0.426 -1.264 -1.817) 2.255 1.436 ( 23.492 -20.400 0.518) 31.117 1.572 ( -4.216 -2.724 3.001) 5.848 1.782 ( 3.581 0.626 0.906) 3.746 1.906 ( 5.839 -4.629 1.281) 7.560 2.010 ( -1.839 -2.537 -3.692) 4.843 2.124 ( -0.836 2.609 -0.650) 2.816 2.246 ( 0.214 1.591 1.054) 1.920 2.298 ( -5.771 -0.010 0.882) 5.838 2.468 ( 1.074 5.332 -1.270) 5.586 2.541 ( -0.921 0.164 2.087) 2.287 2.587 ( 0.275 0.007 -2.428) 2.443 2.644 ( 0.944 5.687 1.080) 5.865 2.756 ( 3.834 0.999 0.336) 3.976 2.965 ( -0.953 6.802 0.614) 6.895 3.011 ( 0.785 4.046 0.011) 4.122 3.064 ( 0.832 1.266 0.616) 1.636 3.173 ( 2.204 -0.122 -3.342) 4.005 3.194 ( -1.779 0.967 1.334) 2.425 3.379 ( 1.295 -2.549 -1.962) 3.468 3.511 ( -2.354 3.834 1.794) 4.843 3.656 ( -4.498 -4.392 0.894) 6.350 3.814 ( -1.619 -1.299 0.081) 2.077 3.917 ( -4.602 -2.008 2.716) 5.708 4.064 ( 0.796 -1.393 -2.378) 2.869 4.089 ( -0.221 3.406 3.872) 5.162 4.140 ( 1.190 -2.414 2.279) 3.527 4.220 ( 0.716 -3.336 -2.306) 4.118 4.333 ( 2.749 0.197 -0.747) 2.855 4.381 ( -0.050 1.702 -1.336) 2.165 4.444 ( 1.302 0.549 1.431) 2.011 4.551 ( -3.515 0.707 -6.502) 7.425 4.697 ( -1.407 2.833 -3.083) 4.417 4.760 ( 0.270 -2.163 6.663) 7.010 4.908 ( -2.780 -2.727 2.469) 4.611 5.100 ( -0.742 0.798 -5.757) 5.859 5.211 ( 3.494 0.548 0.949) 3.662 5.265 ( 3.486 0.727 -2.470) 4.334 5.436 ( 1.371 -0.424 -2.839) 3.181 5.521 ( -0.191 -0.707 -0.473) 0.872 5.639 ( 1.128 -3.853 3.401) 5.262 5.854 ( -2.286 -1.426 5.305) 5.950 5.945 ( -1.366 0.777 -3.709) 4.028 6.060 ( -2.817 2.601 -0.836) 3.924 6.171 ( -3.751 -2.953 3.114) 5.699 6.191 ( 0.584 -4.669 -1.503) 4.940 6.224 ( -3.780 2.024 -0.182) 4.292 6.372 ( 1.837 -0.227 2.318) 2.966 6.719 ( -2.678 5.809 -1.160) 6.501 6.915 ( -4.678 5.320 1.890) 7.332 6.968 ( -4.725 -4.616 0.837) 6.659 7.309 ( 3.196 5.843 0.166) 6.662 7.411 ( 2.586 6.386 0.424) 6.903 7.559 ( -2.616 -4.645 2.596) 5.930 7.672 ( 4.609 -5.216 -1.311) 7.083 7.937 ( 0.193 6.408 -0.812) 6.462 8.007 ( 1.496 -1.942 4.265) 4.920 8.217 ( 2.756 2.379 -8.503) 9.250 8.233 ( -1.427 -5.077 2.953) 6.044 8.342 ( -0.534 1.234 2.604) 2.931 8.429 ( 2.281 0.980 1.228) 2.770 8.478 ( -1.715 -0.024 -6.634) 6.852 8.577 ( 2.276 -1.968 0.176) 3.014 8.835 ( 1.167 1.549 1.148) 2.254 8.923 ( 0.874 1.779 -0.069) 1.983 11.879 ( -0.751 -0.533 -1.185) 1.501 11.991 ( 0.786 0.704 1.332) 1.699 11.998 ( 1.108 -0.432 0.538) 1.305 12.162 ( -1.171 0.206 -0.860) 1.468 15.346 ( -0.535 -0.935 -0.637) 1.251 15.488 ( -2.209 -7.027 -0.465) 7.380 15.610 ( -1.145 1.038 2.400) 2.855 15.798 ( -0.157 0.890 -0.770) 1.188 15.812 ( 0.233 0.339 -0.153) 0.439 15.936 ( 4.371 6.471 -0.801) 7.850 16.092 ( 1.108 0.309 0.054) 1.152 16.198 ( -0.550 2.021 -1.384) 2.511 16.329 ( -0.222 -3.396 -2.363) 4.143 16.348 ( 0.046 -2.222 -1.737) 2.821 16.378 ( 0.076 -2.020 6.631) 6.932 16.768 ( -6.155 0.978 0.096) 6.233 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 7.585 -10.782 5.174) 14.162 1.084 ( 9.695 -11.539 -1.998) 15.203 1.108 ( -1.098 -1.563 0.127) 1.914 1.313 ( 1.537 -3.367 -2.138) 4.274 1.593 ( -4.920 -5.601 0.501) 7.472 1.779 ( -3.490 -0.463 5.281) 6.347 1.825 ( 2.035 -4.744 -2.179) 5.603 2.027 ( -0.218 -1.204 -0.976) 1.566 2.053 ( 1.596 -2.675 1.036) 3.282 2.159 ( 8.155 -2.752 -3.024) 9.123 2.234 ( -2.549 -0.070 -2.275) 3.417 2.291 ( 2.607 -4.398 0.725) 5.164 2.379 ( 0.974 4.453 0.533) 4.590 2.493 ( -0.441 2.644 0.884) 2.823 2.540 ( 0.357 5.408 -1.096) 5.530 2.585 ( 1.565 6.097 1.052) 6.382 2.768 ( 4.341 4.143 -0.392) 6.014 2.833 ( -0.773 2.836 4.276) 5.189 2.953 ( 4.239 1.436 -2.451) 5.103 3.044 ( 3.623 0.112 -0.651) 3.683 3.189 ( -0.080 -1.386 -0.741) 1.574 3.237 ( 2.110 -2.441 -1.252) 3.461 3.385 ( -1.692 4.915 -0.127) 5.200 3.417 ( -1.893 2.228 1.886) 3.479 3.658 ( -6.532 -0.718 0.640) 6.602 3.859 ( -0.802 -2.449 -1.197) 2.841 3.874 ( -4.745 -1.022 2.610) 5.511 4.016 ( -2.465 1.706 1.212) 3.234 4.113 ( 0.882 -2.247 -0.313) 2.434 4.189 ( -0.309 -1.236 0.942) 1.585 4.259 ( 1.409 0.778 -0.874) 1.832 4.314 ( -1.554 -0.180 -0.800) 1.757 4.399 ( 3.693 0.816 -1.085) 3.934 4.435 ( -0.623 -0.871 -0.705) 1.283 4.559 ( -0.477 -3.042 -1.826) 3.580 4.621 ( -1.490 2.679 -1.551) 3.436 4.812 ( 0.640 -1.532 3.833) 4.177 4.913 ( -1.675 -0.019 -0.160) 1.682 5.073 ( -0.500 0.234 -4.664) 4.696 5.225 ( 2.259 1.473 1.888) 3.292 5.272 ( 4.381 1.546 0.755) 4.707 5.446 ( 0.872 0.051 -2.020) 2.201 5.563 ( 1.886 -2.196 -0.191) 2.901 5.702 ( -2.356 -2.038 3.630) 4.783 5.842 ( -2.361 -0.016 0.545) 2.423 5.951 ( 1.240 -1.625 -3.603) 4.143 5.998 ( -2.831 0.406 -1.196) 3.100 6.156 ( -3.942 0.892 4.899) 6.351 6.183 ( -2.328 -0.146 1.009) 2.542 6.275 ( -0.174 -3.307 -1.829) 3.783 6.420 ( 2.126 -3.528 0.934) 4.223 6.602 ( -2.276 3.678 -1.162) 4.479 6.807 ( -2.878 2.357 0.512) 3.755 7.008 ( -2.801 -3.134 1.226) 4.378 7.212 ( 2.829 7.594 -0.121) 8.105 7.302 ( 0.760 6.085 -1.370) 6.283 7.591 ( -4.184 -2.489 1.168) 5.006 7.758 ( 3.132 0.612 -0.127) 3.194 7.869 ( 3.461 1.674 -2.020) 4.343 8.052 ( 1.530 0.204 2.657) 3.073 8.195 ( 1.290 -0.516 -1.344) 1.933 8.310 ( -0.859 0.568 3.619) 3.763 8.346 ( 0.878 -4.154 2.236) 4.799 8.422 ( -3.730 -0.073 -2.803) 4.667 8.472 ( 1.238 -1.264 -2.946) 3.436 8.630 ( 2.360 -0.706 -1.421) 2.844 8.819 ( 1.685 1.234 1.581) 2.620 8.878 ( -0.767 3.135 -0.521) 3.270 11.886 ( -0.535 -0.918 -0.860) 1.367 11.976 ( 0.488 1.368 0.802) 1.659 12.030 ( 1.174 -1.500 0.965) 2.136 12.136 ( -1.086 1.205 -0.967) 1.889 15.371 ( -0.927 -2.506 -0.843) 2.801 15.553 ( -0.476 1.503 1.595) 2.242 15.613 ( -1.470 -5.218 -0.444) 5.439 15.775 ( 0.479 1.445 -1.069) 1.860 15.805 ( 0.092 0.763 0.145) 0.782 15.884 ( 2.921 3.127 0.258) 4.287 16.091 ( 0.663 0.618 -0.093) 0.911 16.153 ( -0.538 1.821 -0.089) 1.901 16.357 ( -2.120 -0.797 3.487) 4.158 16.399 ( 1.246 -2.843 -0.074) 3.105 16.436 ( 2.152 -2.633 -2.999) 4.534 16.674 ( -5.414 2.829 0.462) 6.126 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -1.408 -0.971 -0.026) 1.710 1.187 ( -0.978 -1.453 0.786) 1.920 1.384 ( 2.757 -2.925 1.312) 4.228 1.410 ( 7.676 -6.003 -0.614) 9.764 1.610 ( 1.807 5.951 -3.395) 7.085 1.820 ( -4.919 -9.380 8.282) 13.445 1.914 ( -0.014 -5.369 -4.762) 7.177 2.044 ( -1.280 -1.952 -0.147) 2.339 2.069 ( -3.501 -5.630 1.301) 6.757 2.170 ( -0.870 3.600 -1.869) 4.148 2.245 ( 1.250 3.396 -1.771) 4.029 2.298 ( 3.804 2.688 2.706) 5.387 2.382 ( -1.436 1.265 -0.139) 1.919 2.438 ( 2.845 4.579 4.365) 6.936 2.443 ( 1.911 6.835 -1.700) 7.298 2.478 ( 0.120 0.128 -2.322) 2.329 2.656 ( -3.150 4.444 -0.759) 5.499 2.836 ( 2.269 -0.085 -0.936) 2.456 3.051 ( -1.370 9.246 0.461) 9.358 3.080 ( 2.622 -4.911 -1.869) 5.872 3.182 ( -2.329 4.183 -1.217) 4.940 3.248 ( 1.051 -0.319 4.966) 5.086 3.279 ( 0.130 0.295 -3.009) 3.027 3.384 ( 5.023 -1.511 0.761) 5.300 3.636 ( -1.814 -2.883 0.893) 3.521 3.854 ( -0.578 -0.853 -0.067) 1.033 3.925 ( -3.214 -3.819 0.401) 5.008 3.987 ( -3.015 -1.683 0.261) 3.463 4.163 ( 1.320 -0.492 -0.866) 1.654 4.192 ( 0.559 -0.035 0.183) 0.589 4.237 ( 1.268 0.946 -0.450) 1.644 4.318 ( -1.251 -0.944 -0.214) 1.582 4.398 ( 0.646 0.290 0.273) 0.759 4.447 ( 0.255 1.309 -1.157) 1.766 4.581 ( -1.870 -0.089 -1.139) 2.191 4.616 ( 0.384 -3.010 2.948) 4.231 4.841 ( 0.326 -0.855 0.661) 1.128 4.877 ( -1.441 1.997 -0.988) 2.653 5.075 ( 0.699 -0.750 -2.528) 2.728 5.205 ( 0.414 2.180 1.478) 2.666 5.287 ( 4.760 1.991 0.829) 5.225 5.444 ( -0.162 0.634 -0.472) 0.807 5.584 ( -1.486 0.497 0.072) 1.568 5.707 ( -2.376 -1.393 0.931) 2.907 5.855 ( 2.149 -2.551 -0.968) 3.473 5.988 ( -1.121 -0.719 0.324) 1.370 5.997 ( 1.934 -1.206 -4.185) 4.765 6.108 ( -3.308 1.550 5.737) 6.801 6.169 ( -0.969 -1.013 -0.350) 1.445 6.318 ( 0.069 -2.399 -1.159) 2.666 6.517 ( 1.371 -3.284 -0.146) 3.561 6.530 ( -1.614 2.502 0.013) 2.978 6.789 ( -1.594 -2.850 -0.082) 3.267 7.038 ( 0.044 -0.863 1.078) 1.381 7.095 ( 1.493 5.445 -0.395) 5.660 7.213 ( -1.425 2.746 -0.838) 3.205 7.600 ( -3.465 -2.594 0.577) 4.367 7.754 ( 2.163 1.251 -0.360) 2.524 7.877 ( 4.645 2.310 -0.673) 5.231 8.035 ( -1.238 1.726 0.686) 2.232 8.244 ( 0.939 -2.629 1.545) 3.190 8.278 ( -0.359 1.852 -0.106) 1.890 8.360 ( -1.868 1.625 -1.873) 3.104 8.453 ( 1.983 -2.996 2.397) 4.319 8.522 ( -0.825 -4.166 -0.839) 4.329 8.626 ( 1.449 2.700 -1.180) 3.284 8.794 ( -2.610 3.738 -1.100) 4.690 8.836 ( 1.614 -0.922 1.195) 2.210 11.901 ( -0.057 -1.067 -0.325) 1.117 11.954 ( 0.005 1.178 0.296) 1.215 12.067 ( 0.788 -0.403 0.834) 1.216 12.103 ( -0.735 0.444 -0.813) 1.183 15.418 ( -0.832 -3.508 -0.805) 3.694 15.501 ( -0.049 3.144 0.831) 3.253 15.699 ( -0.948 -4.052 -0.177) 4.165 15.751 ( 0.135 1.543 -0.656) 1.682 15.788 ( 0.543 0.822 0.437) 1.078 15.862 ( 1.593 1.783 0.391) 2.423 16.084 ( 0.096 0.501 0.016) 0.511 16.133 ( 0.456 0.024 0.070) 0.462 16.347 ( -2.166 -0.073 0.882) 2.340 16.442 ( 2.565 0.191 -0.559) 2.632 16.504 ( 0.430 -1.805 -1.025) 2.120 16.598 ( -2.606 -0.633 0.680) 2.767 ======================= Grid point 12 (9/72) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.135 -2.286 -0.103) 2.292 1.149 ( -1.280 5.970 0.071) 6.107 1.332 ( 0.511 11.537 -1.051) 11.596 1.356 ( 2.212 8.752 0.087) 9.028 1.655 ( 2.089 -6.630 0.508) 6.970 1.880 ( -0.317 3.614 2.425) 4.364 1.963 ( -2.240 0.059 -1.136) 2.513 2.006 ( -2.401 8.217 -2.800) 9.007 2.079 ( 0.662 2.801 1.989) 3.498 2.147 ( 5.484 2.963 -1.702) 6.461 2.252 ( -5.002 0.229 1.047) 5.116 2.307 ( -1.766 -11.591 0.127) 11.725 2.327 ( 2.469 3.338 0.991) 4.269 2.386 ( -3.337 4.403 -0.593) 5.556 2.422 ( 4.378 -1.874 -0.755) 4.821 2.512 ( 3.013 -3.664 3.684) 6.006 2.589 ( -4.258 -1.917 -1.650) 4.952 2.715 ( -7.633 9.407 -1.772) 12.243 2.880 ( 2.077 -2.005 -1.278) 3.157 3.052 ( -0.430 3.568 -0.263) 3.603 3.195 ( -2.365 2.947 3.713) 5.298 3.261 ( 1.716 -4.989 2.346) 5.774 3.300 ( 0.021 -1.123 -4.388) 4.530 3.476 ( 2.874 -0.014 0.312) 2.891 3.754 ( 4.199 -7.420 0.285) 8.530 3.856 ( -0.510 0.372 -0.583) 0.859 3.971 ( -0.707 -2.720 -0.685) 2.893 3.987 ( -2.078 0.154 0.272) 2.101 4.151 ( -1.530 0.380 0.286) 1.602 4.194 ( 1.909 -0.510 -0.513) 2.041 4.275 ( 3.052 0.138 -0.420) 3.084 4.320 ( -1.639 -0.352 -0.379) 1.718 4.373 ( -0.066 2.897 1.095) 3.097 4.423 ( -0.907 -0.427 0.419) 1.086 4.569 ( -1.313 -0.540 -1.276) 1.909 4.680 ( 3.887 -0.653 4.306) 5.838 4.793 ( -3.732 2.546 -2.426) 5.128 4.889 ( 0.269 -2.968 -0.091) 2.981 5.104 ( 1.359 -1.397 0.297) 1.971 5.163 ( -1.145 1.602 -0.722) 2.097 5.269 ( 2.121 3.620 0.300) 4.206 5.413 ( -1.489 1.184 0.350) 1.934 5.576 ( -0.015 -0.943 1.229) 1.549 5.692 ( -1.757 1.089 -2.009) 2.882 5.961 ( 5.548 -2.987 0.565) 6.327 5.983 ( 1.752 1.548 -0.256) 2.352 6.010 ( -1.142 -0.032 -1.710) 2.057 6.061 ( -4.563 -1.909 2.069) 5.361 6.220 ( 0.786 -3.702 -0.904) 3.891 6.359 ( 1.181 -0.288 0.472) 1.304 6.439 ( -1.485 5.288 -0.402) 5.507 6.574 ( 0.208 -2.727 -0.084) 2.736 6.866 ( 0.902 -4.793 0.422) 4.895 7.001 ( 0.355 2.007 -0.611) 2.128 7.117 ( 1.141 -3.659 -0.605) 3.880 7.180 ( -2.497 -1.436 1.002) 3.050 7.631 ( -1.875 -3.262 0.278) 3.773 7.760 ( 1.973 0.130 -0.340) 2.006 7.862 ( 3.299 3.418 0.723) 4.805 7.974 ( -3.200 2.053 -0.353) 3.818 8.221 ( -0.235 3.256 0.281) 3.277 8.301 ( 0.728 -0.504 -0.750) 1.160 8.321 ( -1.244 -0.334 -0.937) 1.593 8.499 ( 0.858 0.504 1.063) 1.457 8.578 ( 2.113 3.021 0.712) 3.755 8.587 ( -0.255 -1.522 0.923) 1.798 8.712 ( -3.205 0.262 -1.901) 3.736 8.872 ( 0.688 -1.348 0.459) 1.582 11.920 ( 0.793 -0.083 0.693) 1.057 11.937 ( -0.798 -0.164 -0.669) 1.055 12.038 ( -0.317 2.158 -0.246) 2.195 12.129 ( 0.281 -1.977 0.232) 2.010 15.445 ( 0.215 2.934 0.301) 2.957 15.483 ( -0.484 -4.014 -0.548) 4.080 15.708 ( -0.195 2.765 -0.026) 2.772 15.728 ( -0.780 -0.645 -0.211) 1.034 15.808 ( 1.253 -1.243 0.757) 1.921 15.843 ( 0.069 1.078 -0.102) 1.085 16.077 ( -0.122 0.144 0.090) 0.209 16.163 ( 1.499 -2.066 0.277) 2.568 16.324 ( -2.129 0.503 -0.837) 2.343 16.437 ( 1.823 2.383 -2.336) 3.803 16.476 ( -1.342 1.847 2.881) 3.676 16.681 ( 1.099 -6.391 -0.274) 6.490 ======================= Grid point 13 (10/72) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 19.540 -0.000) 19.540 0.972 ( 0.000 21.729 -0.000) 21.729 1.173 ( -0.000 -2.356 0.000) 2.356 1.322 ( 0.000 0.045 -0.000) 0.045 1.519 ( 0.000 32.902 -0.000) 32.902 1.719 ( 0.000 1.980 -0.000) 1.980 1.818 ( 0.000 7.813 -0.000) 7.813 1.890 ( 0.000 5.272 -0.000) 5.272 2.043 ( 0.000 1.451 -0.000) 1.451 2.172 ( -0.000 -1.937 0.000) 1.937 2.219 ( -0.000 -0.573 0.000) 0.573 2.246 ( -0.000 -4.060 0.000) 4.060 2.411 ( -0.000 -3.070 0.000) 3.070 2.484 ( 0.000 0.079 -0.000) 0.079 2.551 ( -0.000 -7.827 0.000) 7.827 2.559 ( -0.000 -7.200 0.000) 7.200 2.595 ( 0.000 0.120 -0.000) 0.120 2.768 ( -0.000 -10.834 0.000) 10.834 2.935 ( -0.000 -2.998 0.000) 2.998 3.032 ( -0.000 -2.067 0.000) 2.067 3.140 ( 0.000 1.592 -0.000) 1.592 3.246 ( 0.000 1.823 -0.000) 1.823 3.417 ( -0.000 -6.944 0.000) 6.944 3.442 ( 0.000 4.184 -0.000) 4.184 3.811 ( 0.000 3.678 -0.000) 3.678 3.904 ( 0.000 4.568 -0.000) 4.568 3.924 ( -0.000 -7.013 0.000) 7.013 4.039 ( -0.000 -1.902 0.000) 1.902 4.139 ( 0.000 0.067 -0.000) 0.067 4.205 ( 0.000 2.056 -0.000) 2.056 4.242 ( 0.000 5.063 -0.000) 5.063 4.300 ( -0.000 -2.042 0.000) 2.042 4.350 ( 0.000 1.711 -0.000) 1.711 4.427 ( -0.000 -0.290 0.000) 0.290 4.582 ( -0.000 -1.433 0.000) 1.433 4.696 ( 0.000 1.550 -0.000) 1.550 4.734 ( 0.000 0.312 -0.000) 0.312 4.961 ( -0.000 -3.662 0.000) 3.662 5.132 ( 0.000 0.168 -0.000) 0.168 5.154 ( -0.000 -2.502 0.000) 2.502 5.203 ( 0.000 3.841 -0.000) 3.841 5.402 ( -0.000 -0.895 0.000) 0.895 5.603 ( -0.000 -0.834 0.000) 0.834 5.634 ( 0.000 3.428 -0.000) 3.428 5.926 ( 0.000 4.200 -0.000) 4.200 6.003 ( 0.000 0.161 -0.000) 0.161 6.025 ( -0.000 -2.466 0.000) 2.466 6.147 ( -0.000 -6.557 0.000) 6.557 6.272 ( 0.000 1.530 -0.000) 1.530 6.328 ( 0.000 3.908 -0.000) 3.908 6.330 ( 0.000 2.186 -0.000) 2.186 6.651 ( -0.000 -4.977 0.000) 4.977 6.965 ( -0.000 -4.087 0.000) 4.087 6.993 ( -0.000 -1.913 0.000) 1.913 7.194 ( -0.000 -2.876 0.000) 2.876 7.228 ( -0.000 -4.831 0.000) 4.831 7.672 ( -0.000 -0.798 0.000) 0.798 7.777 ( -0.000 -0.271 0.000) 0.271 7.808 ( 0.000 2.461 -0.000) 2.461 7.943 ( -0.000 -1.213 0.000) 1.213 8.150 ( 0.000 4.171 -0.000) 4.171 8.285 ( 0.000 0.709 -0.000) 0.709 8.335 ( 0.000 0.172 -0.000) 0.172 8.440 ( 0.000 4.709 -0.000) 4.709 8.533 ( 0.000 3.735 -0.000) 3.735 8.592 ( -0.000 -0.809 0.000) 0.809 8.747 ( -0.000 -3.707 0.000) 3.707 8.897 ( -0.000 -1.037 0.000) 1.037 11.908 ( 0.000 0.971 -0.000) 0.971 11.954 ( -0.000 -1.332 0.000) 1.332 12.001 ( 0.000 1.594 -0.000) 1.594 12.164 ( -0.000 -1.569 0.000) 1.569 15.397 ( 0.000 2.409 -0.000) 2.409 15.552 ( -0.000 -3.523 0.000) 3.523 15.655 ( 0.000 2.763 -0.000) 2.763 15.736 ( -0.000 -0.998 0.000) 0.998 15.822 ( 0.000 0.672 -0.000) 0.672 15.835 ( -0.000 -0.500 0.000) 0.500 16.077 ( -0.000 -0.068 0.000) 0.068 16.223 ( -0.000 -2.889 0.000) 2.889 16.291 ( 0.000 1.402 -0.000) 1.402 16.393 ( 0.000 2.413 -0.000) 2.413 16.439 ( 0.000 2.072 -0.000) 2.072 16.812 ( -0.000 -6.497 0.000) 6.497 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 16.801 -0.000 -4.805) 17.474 0.898 ( 19.901 -0.000 -0.304) 19.904 1.138 ( -2.221 0.000 -1.174) 2.512 1.268 ( -2.723 0.000 -0.749) 2.824 1.441 ( 7.950 -0.000 -0.861) 7.997 1.552 ( 19.037 -0.000 7.729) 20.546 1.872 ( 4.378 -0.000 -0.128) 4.380 1.889 ( 0.773 -0.000 4.041) 4.115 1.954 ( 2.424 -0.000 -3.007) 3.863 2.159 ( 1.222 -0.000 -5.463) 5.598 2.209 ( -7.088 0.000 -0.595) 7.113 2.286 ( 1.329 -0.000 2.706) 3.015 2.519 ( -1.914 0.000 0.899) 2.115 2.537 ( -0.009 0.000 1.401) 1.401 2.566 ( -2.308 0.000 -3.328) 4.050 2.719 ( -3.023 0.000 0.595) 3.081 2.764 ( 2.693 -0.000 1.724) 3.197 3.023 ( -0.443 0.000 1.521) 1.584 3.044 ( 0.076 -0.000 -0.598) 0.603 3.104 ( 2.104 -0.000 1.829) 2.788 3.157 ( 0.857 -0.000 0.706) 1.110 3.229 ( -1.427 0.000 -1.427) 2.018 3.345 ( -1.049 0.000 -5.362) 5.464 3.538 ( -1.594 0.000 1.306) 2.061 3.562 ( -4.887 0.000 1.303) 5.058 3.838 ( 1.801 -0.000 3.147) 3.626 3.840 ( -2.943 0.000 3.350) 4.459 4.044 ( -0.336 0.000 -1.609) 1.644 4.099 ( -1.361 0.000 0.552) 1.469 4.156 ( 0.773 -0.000 -0.686) 1.033 4.198 ( 2.421 -0.000 1.688) 2.952 4.351 ( 1.724 -0.000 -1.804) 2.495 4.390 ( -0.404 0.000 -2.542) 2.574 4.469 ( 1.799 -0.000 -2.241) 2.874 4.582 ( -0.493 0.000 1.789) 1.856 4.602 ( -5.276 0.000 1.321) 5.439 4.771 ( -1.844 0.000 -3.065) 3.577 4.861 ( -0.304 0.000 3.019) 3.034 5.098 ( -0.588 0.000 -4.882) 4.918 5.258 ( 3.830 -0.000 -2.654) 4.660 5.303 ( 6.056 -0.000 -1.192) 6.172 5.433 ( 0.521 -0.000 -0.709) 0.880 5.542 ( 2.112 -0.000 2.351) 3.160 5.598 ( 0.508 -0.000 0.325) 0.603 5.825 ( -3.018 0.000 4.671) 5.562 5.942 ( -1.349 0.000 -0.588) 1.472 6.048 ( -5.509 0.000 -2.627) 6.104 6.117 ( -3.431 0.000 2.932) 4.513 6.131 ( -1.362 0.000 -2.760) 3.078 6.203 ( -2.065 0.000 -0.954) 2.275 6.395 ( 1.831 -0.000 3.744) 4.168 6.788 ( -1.864 0.000 -0.716) 1.996 6.841 ( -4.840 0.000 0.334) 4.851 6.931 ( -5.273 0.000 1.741) 5.553 7.358 ( -2.769 0.000 0.402) 2.798 7.496 ( 2.537 -0.000 5.546) 6.099 7.587 ( 4.083 -0.000 -2.006) 4.549 7.640 ( 9.197 -0.000 -0.947) 9.245 7.982 ( -6.810 0.000 0.894) 6.869 7.994 ( -0.234 0.000 4.932) 4.937 8.149 ( 2.742 -0.000 -1.611) 3.181 8.275 ( 2.186 -0.000 -7.434) 7.748 8.349 ( -1.075 0.000 1.271) 1.665 8.452 ( -1.273 0.000 -7.285) 7.395 8.455 ( -1.797 0.000 5.069) 5.378 8.580 ( 3.383 -0.000 -0.487) 3.417 8.859 ( 0.754 -0.000 0.812) 1.108 8.957 ( 1.485 -0.000 -0.012) 1.485 11.865 ( -0.692 0.000 -1.087) 1.288 11.999 ( 1.069 -0.000 0.987) 1.455 12.015 ( 0.851 -0.000 0.867) 1.215 12.149 ( -1.128 0.000 -0.951) 1.476 15.355 ( 0.379 -0.000 0.408) 0.557 15.379 ( -0.940 0.000 -1.011) 1.381 15.612 ( -1.152 0.000 1.773) 2.114 15.800 ( -0.409 0.000 -0.044) 0.411 15.819 ( 0.263 -0.000 -0.375) 0.458 16.051 ( 1.398 -0.000 -0.251) 1.420 16.112 ( 1.550 -0.000 0.150) 1.557 16.212 ( 0.535 -0.000 -7.550) 7.569 16.303 ( 2.332 -0.000 1.547) 2.799 16.312 ( 0.711 -0.000 -2.733) 2.824 16.353 ( -1.835 0.000 9.299) 9.478 16.723 ( -5.301 0.000 -0.021) 5.301 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 12.193 -12.451 -1.053) 17.458 1.063 ( 7.393 -2.666 -1.076) 7.932 1.116 ( 7.049 1.271 -1.055) 7.240 1.267 ( 0.260 -2.510 0.081) 2.524 1.438 ( -7.722 -3.522 3.281) 9.099 1.736 ( -1.947 1.655 0.321) 2.576 1.868 ( 4.967 3.014 1.639) 6.036 1.986 ( 7.390 -6.399 -0.254) 9.779 2.036 ( 2.089 -0.949 2.245) 3.211 2.171 ( 6.025 -2.378 -3.410) 7.320 2.203 ( 1.275 -2.710 -3.135) 4.336 2.282 ( 2.426 1.172 -0.529) 2.746 2.451 ( -2.752 3.256 1.324) 4.464 2.520 ( -2.251 1.057 0.673) 2.577 2.594 ( 0.757 -2.494 -0.785) 2.722 2.626 ( -3.681 3.630 1.435) 5.366 2.830 ( 3.787 -1.961 1.285) 4.454 2.949 ( -0.684 7.205 0.150) 7.239 3.012 ( -0.261 3.351 1.194) 3.567 3.112 ( 3.683 1.070 1.011) 3.966 3.181 ( -0.150 0.793 0.149) 0.820 3.204 ( 1.518 -2.177 -1.150) 2.892 3.366 ( -1.933 -3.554 -4.351) 5.942 3.471 ( -1.918 4.710 2.171) 5.529 3.547 ( -7.568 -3.151 0.851) 8.242 3.796 ( 0.776 1.000 2.340) 2.661 3.885 ( 0.028 -0.175 2.285) 2.292 4.054 ( -3.693 3.390 -4.289) 6.598 4.073 ( -0.436 -1.335 2.301) 2.696 4.142 ( -1.250 -3.219 -0.277) 3.464 4.265 ( 4.292 -1.983 1.566) 4.980 4.321 ( -0.797 2.485 -1.655) 3.090 4.414 ( 0.818 -0.180 -0.545) 1.000 4.468 ( 0.747 1.606 -1.681) 2.442 4.506 ( 0.222 -0.499 -0.602) 0.813 4.640 ( -2.559 0.403 -2.146) 3.364 4.778 ( 0.062 -3.421 3.447) 4.857 4.869 ( -1.962 -1.124 -0.400) 2.296 5.077 ( -0.302 0.840 -4.027) 4.124 5.277 ( 2.928 1.003 -0.779) 3.191 5.352 ( 6.262 1.332 0.680) 6.438 5.440 ( 0.030 -0.410 -0.262) 0.487 5.564 ( 3.806 -0.411 0.488) 3.859 5.638 ( -2.209 -2.571 1.934) 3.902 5.806 ( -3.670 -1.203 0.430) 3.886 5.934 ( -0.212 -0.359 1.291) 1.357 5.979 ( -3.557 1.064 -3.174) 4.885 6.091 ( -6.217 -2.109 0.997) 6.640 6.142 ( -1.660 -1.528 -0.783) 2.388 6.227 ( 1.282 -2.661 0.398) 2.980 6.408 ( 1.240 0.102 2.194) 2.522 6.668 ( -2.019 5.777 -0.990) 6.199 6.849 ( -2.719 3.672 0.943) 4.666 6.903 ( -2.469 -5.179 0.671) 5.776 7.325 ( -0.599 2.050 -0.710) 2.250 7.439 ( 0.712 6.932 1.093) 7.053 7.575 ( 2.295 2.894 1.181) 3.878 7.775 ( 5.851 -2.509 -1.043) 6.451 7.910 ( -1.096 0.652 -1.232) 1.773 8.028 ( -2.070 -3.142 5.267) 6.473 8.221 ( 0.219 -5.074 -0.121) 5.080 8.244 ( 1.592 3.475 -4.103) 5.607 8.333 ( -0.755 0.663 1.530) 1.831 8.416 ( -2.063 0.991 -0.221) 2.300 8.465 ( 1.032 -0.718 -2.212) 2.544 8.625 ( 2.086 -1.612 -0.703) 2.728 8.854 ( 0.636 1.103 0.742) 1.474 8.939 ( 0.756 2.989 -0.072) 3.084 11.865 ( -0.462 -0.622 -0.742) 1.072 12.007 ( 0.579 1.193 0.909) 1.608 12.019 ( 0.974 -0.785 0.631) 1.401 12.138 ( -1.047 0.192 -0.892) 1.389 15.335 ( -0.421 -0.224 -0.513) 0.700 15.463 ( -0.607 -6.612 0.042) 6.640 15.594 ( -0.975 1.120 0.902) 1.737 15.794 ( -0.114 0.396 -0.415) 0.585 15.815 ( 0.123 0.499 -0.067) 0.519 15.998 ( 2.461 5.263 -0.267) 5.817 16.114 ( 1.092 0.880 -0.045) 1.403 16.192 ( -0.020 2.241 -1.014) 2.460 16.320 ( 0.243 -2.465 -2.269) 3.359 16.338 ( -1.055 -1.386 2.983) 3.455 16.410 ( 1.853 -3.550 1.282) 4.205 16.662 ( -5.073 1.454 -0.047) 5.277 ======================= Grid point 18 (13/72) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -1.484 -0.016 0.112) 1.489 1.147 ( 1.607 -2.394 1.234) 3.137 1.325 ( 9.194 -10.082 -2.757) 13.921 1.395 ( 6.858 -3.006 -3.467) 8.252 1.508 ( -1.606 -11.744 9.405) 15.131 1.675 ( -8.538 -3.886 -2.851) 9.805 1.853 ( 1.520 3.346 0.838) 3.769 1.994 ( -3.724 -0.095 -1.521) 4.024 2.021 ( -1.723 1.426 1.054) 2.473 2.211 ( 0.074 1.020 -1.020) 1.445 2.287 ( 6.762 0.161 -2.492) 7.208 2.381 ( -1.530 1.148 2.786) 3.379 2.406 ( 6.496 -1.485 -0.715) 6.702 2.460 ( -2.284 1.776 -0.755) 2.990 2.526 ( -2.193 3.717 -0.170) 4.319 2.607 ( 0.551 4.409 1.274) 4.622 2.780 ( -0.502 9.530 -0.256) 9.547 2.861 ( 1.283 1.317 0.509) 1.908 2.991 ( 0.850 -3.027 -0.860) 3.260 3.175 ( 1.814 1.940 -0.250) 2.668 3.202 ( 8.031 -4.139 0.395) 9.044 3.261 ( 0.838 -0.947 0.299) 1.299 3.360 ( -1.216 6.172 1.240) 6.412 3.371 ( -4.041 -0.400 -1.584) 4.358 3.539 ( -5.172 -3.705 0.918) 6.428 3.828 ( 0.759 -2.605 2.135) 3.453 3.861 ( 0.643 1.542 -1.493) 2.241 3.931 ( -5.909 1.504 0.349) 6.107 4.136 ( 0.988 -3.945 -1.101) 4.213 4.185 ( -0.202 -1.163 -0.053) 1.181 4.290 ( 1.132 2.377 1.825) 3.204 4.299 ( 0.758 0.749 -0.389) 1.135 4.396 ( -2.370 -0.298 -1.051) 2.609 4.460 ( 2.255 -0.490 -1.757) 2.901 4.557 ( 0.036 -2.865 0.955) 3.020 4.587 ( -1.201 2.108 -0.622) 2.504 4.836 ( 0.861 -0.822 2.767) 3.012 4.872 ( -1.953 -1.107 -1.906) 2.945 5.066 ( 0.335 -0.397 -2.047) 2.112 5.263 ( 1.081 2.661 0.767) 2.973 5.379 ( 5.983 2.023 0.876) 6.376 5.446 ( -0.213 -0.265 -0.620) 0.707 5.572 ( -3.602 0.580 -0.401) 3.670 5.672 ( 1.882 -1.596 2.888) 3.799 5.803 ( -2.932 -2.600 -2.970) 4.917 5.946 ( -1.246 -1.139 1.971) 2.595 5.990 ( 3.378 -2.486 -4.038) 5.822 6.082 ( -4.796 -1.565 3.823) 6.330 6.144 ( -1.411 -0.469 -0.360) 1.530 6.281 ( 0.551 -1.574 -0.221) 1.683 6.450 ( 0.826 -3.849 0.450) 3.962 6.568 ( -0.943 3.327 -0.593) 3.509 6.772 ( -0.976 2.160 0.248) 2.384 6.971 ( -1.202 -3.870 0.500) 4.083 7.257 ( 1.838 6.082 0.109) 6.354 7.294 ( -0.997 7.625 -0.761) 7.728 7.547 ( -1.018 -0.007 0.594) 1.179 7.792 ( 0.608 1.457 0.132) 1.584 7.951 ( 5.425 0.052 -2.770) 6.092 8.045 ( -3.037 -0.112 3.237) 4.440 8.212 ( 0.708 -0.354 -0.349) 0.865 8.303 ( -0.374 0.049 0.889) 0.966 8.343 ( -1.217 -4.423 -0.619) 4.629 8.386 ( 0.153 -0.354 0.787) 0.876 8.484 ( 0.558 -0.697 -1.387) 1.650 8.659 ( 0.914 -0.232 -0.674) 1.159 8.843 ( 0.610 0.463 0.599) 0.972 8.864 ( -0.453 4.970 -0.234) 4.996 11.877 ( -0.172 -1.102 -0.324) 1.162 11.983 ( 0.159 1.637 0.307) 1.673 12.052 ( 0.737 -1.610 0.673) 1.894 12.116 ( -0.706 1.224 -0.677) 1.567 15.355 ( -0.461 -2.307 -0.397) 2.385 15.551 ( -0.089 1.965 0.894) 2.160 15.590 ( -0.681 -6.254 -0.465) 6.308 15.780 ( 0.343 1.142 -0.592) 1.331 15.803 ( -0.241 0.784 0.288) 0.869 15.931 ( 1.571 3.829 0.198) 4.143 16.101 ( 0.322 1.094 -0.027) 1.140 16.150 ( 0.043 1.684 -0.026) 1.685 16.332 ( -0.949 -0.218 0.965) 1.371 16.406 ( 0.154 -4.683 -0.448) 4.707 16.484 ( 2.905 -2.111 -0.705) 3.659 16.583 ( -4.083 2.245 0.470) 4.683 ======================= Grid point 19 (14/72) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.000 -1.895 0.000) 1.895 1.178 ( -0.000 -0.688 0.000) 0.688 1.396 ( 0.000 1.460 -0.000) 1.460 1.531 ( -0.000 -6.217 0.000) 6.217 1.638 ( 0.000 11.253 -0.000) 11.253 1.792 ( -0.000 -13.204 0.000) 13.204 1.850 ( -0.000 -8.275 0.000) 8.275 2.034 ( -0.000 -2.241 0.000) 2.241 2.034 ( -0.000 -7.888 0.000) 7.888 2.170 ( 0.000 4.035 -0.000) 4.035 2.269 ( 0.000 4.819 -0.000) 4.819 2.340 ( 0.000 4.850 -0.000) 4.850 2.352 ( 0.000 2.948 -0.000) 2.948 2.460 ( 0.000 1.101 -0.000) 1.101 2.468 ( 0.000 2.315 -0.000) 2.315 2.496 ( 0.000 3.353 -0.000) 3.353 2.605 ( 0.000 7.501 -0.000) 7.501 2.863 ( -0.000 -0.829 0.000) 0.829 3.011 ( 0.000 18.560 -0.000) 18.560 3.115 ( -0.000 -8.297 0.000) 8.297 3.149 ( 0.000 7.213 -0.000) 7.213 3.234 ( 0.000 2.100 -0.000) 2.100 3.313 ( -0.000 -0.627 0.000) 0.627 3.457 ( -0.000 -4.680 0.000) 4.680 3.623 ( -0.000 -7.379 0.000) 7.379 3.847 ( -0.000 -0.753 0.000) 0.753 3.895 ( -0.000 -3.112 0.000) 3.112 3.936 ( -0.000 -3.897 0.000) 3.897 4.179 ( 0.000 1.691 -0.000) 1.691 4.217 ( 0.000 3.093 -0.000) 3.093 4.232 ( -0.000 -5.130 0.000) 5.130 4.308 ( -0.000 -0.054 0.000) 0.054 4.398 ( -0.000 -0.503 0.000) 0.503 4.454 ( 0.000 2.755 -0.000) 2.755 4.558 ( 0.000 0.184 -0.000) 0.184 4.627 ( -0.000 -4.657 0.000) 4.657 4.842 ( 0.000 3.041 -0.000) 3.041 4.855 ( -0.000 -1.058 0.000) 1.058 5.085 ( -0.000 -1.197 0.000) 1.197 5.209 ( 0.000 3.241 -0.000) 3.241 5.359 ( 0.000 3.776 -0.000) 3.776 5.432 ( 0.000 1.309 -0.000) 1.309 5.552 ( -0.000 -0.939 0.000) 0.939 5.690 ( -0.000 -0.085 0.000) 0.085 5.882 ( -0.000 -6.352 0.000) 6.352 5.965 ( -0.000 -1.419 0.000) 1.419 6.046 ( 0.000 0.211 -0.000) 0.211 6.053 ( 0.000 1.810 -0.000) 1.810 6.157 ( -0.000 -2.481 0.000) 2.481 6.320 ( -0.000 -2.911 0.000) 2.911 6.510 ( 0.000 3.007 -0.000) 3.007 6.532 ( -0.000 -3.159 0.000) 3.159 6.774 ( -0.000 -3.238 0.000) 3.238 7.035 ( -0.000 -3.398 0.000) 3.398 7.121 ( 0.000 7.415 -0.000) 7.415 7.190 ( 0.000 3.270 -0.000) 3.270 7.567 ( -0.000 -2.465 0.000) 2.465 7.773 ( 0.000 0.780 -0.000) 0.780 7.950 ( 0.000 2.803 -0.000) 2.803 7.999 ( 0.000 2.483 -0.000) 2.483 8.260 ( -0.000 -3.318 0.000) 3.318 8.274 ( 0.000 2.352 -0.000) 2.352 8.333 ( 0.000 1.586 -0.000) 1.586 8.496 ( -0.000 -6.760 0.000) 6.760 8.498 ( -0.000 -0.790 0.000) 0.790 8.642 ( 0.000 2.299 -0.000) 2.299 8.760 ( 0.000 5.298 -0.000) 5.298 8.853 ( -0.000 -0.968 0.000) 0.968 11.900 ( -0.000 -1.393 0.000) 1.393 11.954 ( 0.000 1.486 -0.000) 1.486 12.079 ( 0.000 2.155 -0.000) 2.155 12.091 ( -0.000 -2.063 0.000) 2.063 15.408 ( -0.000 -3.530 0.000) 3.530 15.501 ( 0.000 2.935 -0.000) 2.935 15.689 ( -0.000 -3.806 0.000) 3.806 15.752 ( 0.000 2.055 -0.000) 2.055 15.793 ( -0.000 -0.224 0.000) 0.224 15.881 ( 0.000 2.502 -0.000) 2.502 16.085 ( 0.000 0.702 -0.000) 0.702 16.141 ( -0.000 -0.627 0.000) 0.627 16.325 ( 0.000 0.469 -0.000) 0.469 16.472 ( -0.000 -1.464 0.000) 1.464 16.503 ( 0.000 3.159 -0.000) 3.159 16.570 ( -0.000 -5.240 0.000) 5.240 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 11.518 -0.000 -2.696) 11.830 1.061 ( -0.426 0.000 -0.018) 0.426 1.196 ( -5.127 0.000 0.303) 5.136 1.235 ( 10.031 -0.000 -1.202) 10.103 1.350 ( -4.542 0.000 1.318) 4.729 1.767 ( -6.595 0.000 0.824) 6.646 1.952 ( 4.284 -0.000 2.294) 4.859 1.991 ( 6.510 -0.000 -0.706) 6.549 2.050 ( 0.791 -0.000 3.289) 3.382 2.179 ( 11.083 -0.000 -0.411) 11.091 2.230 ( 8.529 -0.000 -5.250) 10.016 2.317 ( 0.688 -0.000 -2.919) 2.999 2.448 ( -5.389 0.000 3.504) 6.428 2.477 ( -5.749 0.000 -0.592) 5.780 2.554 ( -0.948 0.000 1.331) 1.634 2.643 ( -3.709 0.000 -0.334) 3.724 2.809 ( 1.187 -0.000 1.632) 2.018 3.018 ( -0.317 0.000 -0.111) 0.335 3.057 ( 0.953 -0.000 1.132) 1.479 3.137 ( 1.016 -0.000 0.419) 1.099 3.183 ( 1.028 -0.000 3.362) 3.516 3.199 ( -1.157 0.000 -1.273) 1.720 3.287 ( -2.301 0.000 -5.594) 6.049 3.464 ( -4.278 0.000 0.736) 4.341 3.519 ( -0.616 0.000 0.465) 0.772 3.829 ( 0.094 -0.000 1.723) 1.726 3.917 ( 5.729 -0.000 4.793) 7.469 4.030 ( -0.456 0.000 -1.318) 1.395 4.061 ( -7.306 0.000 -4.449) 8.554 4.078 ( -0.666 0.000 -0.072) 0.670 4.281 ( 3.330 -0.000 1.265) 3.562 4.374 ( 0.962 -0.000 -0.172) 0.978 4.407 ( 1.414 -0.000 -0.539) 1.513 4.469 ( -0.315 0.000 -1.227) 1.267 4.523 ( -2.849 0.000 0.042) 2.850 4.614 ( 1.700 -0.000 1.337) 2.162 4.729 ( -1.543 0.000 -1.228) 1.972 4.853 ( -0.623 0.000 0.137) 0.638 5.079 ( -0.259 0.000 -2.175) 2.191 5.300 ( 1.111 -0.000 -1.926) 2.224 5.430 ( 6.603 -0.000 1.659) 6.808 5.447 ( 0.797 -0.000 1.092) 1.352 5.577 ( -2.993 0.000 -0.635) 3.060 5.619 ( 5.631 -0.000 1.282) 5.775 5.741 ( -6.456 0.000 -0.384) 6.468 5.933 ( -0.461 0.000 6.263) 6.280 5.961 ( -2.167 0.000 -5.929) 6.313 6.008 ( -4.286 0.000 -1.724) 4.620 6.121 ( -0.261 0.000 0.491) 0.556 6.207 ( 0.617 -0.000 0.103) 0.626 6.425 ( 0.621 -0.000 1.599) 1.715 6.763 ( -0.645 0.000 -0.326) 0.723 6.782 ( -1.570 0.000 0.046) 1.571 6.868 ( -1.916 0.000 0.591) 2.005 7.322 ( -1.035 0.000 0.070) 1.038 7.520 ( 0.148 -0.000 1.129) 1.139 7.675 ( 4.136 -0.000 -0.188) 4.140 7.805 ( 8.678 -0.000 -1.429) 8.795 7.872 ( -4.521 0.000 0.442) 4.543 7.945 ( -5.836 0.000 3.216) 6.664 8.191 ( 1.592 -0.000 -0.659) 1.723 8.295 ( 1.310 -0.000 -3.327) 3.576 8.333 ( -0.913 0.000 1.508) 1.763 8.410 ( -1.053 0.000 -0.387) 1.122 8.455 ( 0.011 -0.000 -0.540) 0.540 8.623 ( 1.223 -0.000 -0.250) 1.248 8.869 ( 0.218 -0.000 0.322) 0.389 8.978 ( 0.641 -0.000 0.003) 0.641 11.855 ( -0.249 0.000 -0.406) 0.476 12.018 ( 0.614 -0.000 0.583) 0.847 12.027 ( 0.317 -0.000 0.328) 0.456 12.129 ( -0.639 0.000 -0.567) 0.855 15.362 ( 0.223 -0.000 0.199) 0.299 15.364 ( -0.406 0.000 -0.425) 0.587 15.598 ( -0.558 0.000 0.511) 0.756 15.794 ( -0.162 0.000 -0.045) 0.168 15.822 ( 0.131 -0.000 -0.160) 0.206 16.071 ( 0.637 -0.000 -0.004) 0.637 16.134 ( 0.672 -0.000 -0.047) 0.674 16.205 ( 0.139 -0.000 -2.296) 2.300 16.316 ( 0.309 -0.000 -1.453) 1.486 16.345 ( -0.716 0.000 3.427) 3.501 16.347 ( 1.582 -0.000 0.835) 1.789 16.640 ( -2.932 0.000 -0.158) 2.937 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 0.719 -0.000) 0.719 1.093 ( -0.000 -13.641 0.000) 13.641 1.149 ( 0.000 0.690 -0.000) 0.690 1.352 ( -0.000 -2.023 0.000) 2.023 1.382 ( -0.000 -9.200 0.000) 9.200 1.638 ( 0.000 7.296 -0.000) 7.296 1.946 ( 0.000 3.205 -0.000) 3.205 1.982 ( 0.000 1.198 -0.000) 1.198 2.049 ( 0.000 1.289 -0.000) 1.289 2.243 ( 0.000 2.775 -0.000) 2.775 2.328 ( -0.000 -2.203 0.000) 2.203 2.357 ( -0.000 -6.734 0.000) 6.734 2.388 ( 0.000 3.092 -0.000) 3.092 2.467 ( -0.000 -1.939 0.000) 1.939 2.560 ( 0.000 2.490 -0.000) 2.490 2.602 ( -0.000 -2.065 0.000) 2.065 2.871 ( -0.000 -2.880 0.000) 2.880 2.942 ( 0.000 7.170 -0.000) 7.170 3.013 ( 0.000 3.987 -0.000) 3.987 3.172 ( -0.000 -0.911 0.000) 0.911 3.184 ( -0.000 -2.560 0.000) 2.560 3.213 ( -0.000 -2.907 0.000) 2.907 3.322 ( -0.000 -2.136 0.000) 2.136 3.454 ( -0.000 -1.684 0.000) 1.684 3.458 ( 0.000 4.823 -0.000) 4.823 3.828 ( 0.000 0.182 -0.000) 0.182 3.915 ( 0.000 3.579 -0.000) 3.579 3.961 ( 0.000 3.649 -0.000) 3.649 4.074 ( -0.000 -2.960 0.000) 2.960 4.128 ( -0.000 -4.146 0.000) 4.146 4.314 ( 0.000 3.350 -0.000) 3.350 4.330 ( -0.000 -3.125 0.000) 3.125 4.401 ( 0.000 3.466 -0.000) 3.466 4.465 ( 0.000 0.166 -0.000) 0.166 4.523 ( -0.000 -1.482 0.000) 1.482 4.613 ( 0.000 1.184 -0.000) 1.184 4.782 ( -0.000 -5.294 0.000) 5.294 4.847 ( 0.000 0.269 -0.000) 0.269 5.069 ( 0.000 0.589 -0.000) 0.589 5.302 ( 0.000 0.631 -0.000) 0.631 5.443 ( 0.000 0.450 -0.000) 0.450 5.451 ( 0.000 1.660 -0.000) 1.660 5.553 ( 0.000 0.231 -0.000) 0.231 5.684 ( -0.000 -0.694 0.000) 0.694 5.712 ( -0.000 -2.909 0.000) 2.909 5.937 ( 0.000 0.249 -0.000) 0.249 5.958 ( -0.000 -1.959 0.000) 1.959 6.011 ( -0.000 -2.326 0.000) 2.326 6.127 ( -0.000 -0.661 0.000) 0.661 6.241 ( -0.000 -2.816 0.000) 2.816 6.423 ( 0.000 0.138 -0.000) 0.138 6.647 ( 0.000 5.746 -0.000) 5.746 6.825 ( 0.000 3.191 -0.000) 3.191 6.881 ( -0.000 -5.333 0.000) 5.333 7.315 ( 0.000 0.785 -0.000) 0.785 7.447 ( 0.000 7.172 -0.000) 7.172 7.604 ( 0.000 5.839 -0.000) 5.839 7.823 ( 0.000 1.624 -0.000) 1.624 7.948 ( -0.000 -4.649 0.000) 4.649 7.964 ( -0.000 -4.701 0.000) 4.701 8.226 ( -0.000 -3.516 0.000) 3.516 8.255 ( 0.000 3.557 -0.000) 3.557 8.327 ( 0.000 0.318 -0.000) 0.318 8.398 ( 0.000 0.718 -0.000) 0.718 8.471 ( -0.000 -1.086 0.000) 1.086 8.643 ( -0.000 -1.374 0.000) 1.374 8.861 ( 0.000 0.893 -0.000) 0.893 8.947 ( 0.000 3.491 -0.000) 3.491 11.859 ( -0.000 -0.657 0.000) 0.657 12.014 ( 0.000 1.404 -0.000) 1.404 12.031 ( -0.000 -0.962 0.000) 0.962 12.125 ( 0.000 0.207 -0.000) 0.207 15.330 ( 0.000 0.046 -0.000) 0.046 15.459 ( -0.000 -6.523 0.000) 6.523 15.585 ( 0.000 1.188 -0.000) 1.188 15.792 ( 0.000 0.194 -0.000) 0.194 15.816 ( 0.000 0.632 -0.000) 0.632 16.021 ( 0.000 4.530 -0.000) 4.530 16.125 ( 0.000 1.121 -0.000) 1.121 16.190 ( 0.000 2.053 -0.000) 2.053 16.322 ( -0.000 -0.486 0.000) 0.486 16.330 ( -0.000 -2.456 0.000) 2.456 16.435 ( -0.000 -4.311 0.000) 4.311 16.607 ( 0.000 1.875 -0.000) 1.875 ======================= Grid point 51 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 5.368 -0.000 20.799) 21.481 0.483 ( -3.714 0.000 25.156) 25.429 0.853 ( -6.798 0.000 36.995) 37.615 1.224 ( -0.092 0.000 0.251) 0.267 1.420 ( -1.655 0.000 9.586) 9.728 1.501 ( 0.389 -0.000 -13.217) 13.223 1.552 ( 2.452 -0.000 -7.058) 7.472 1.975 ( -2.043 0.000 2.211) 3.011 1.982 ( -1.157 0.000 -2.013) 2.322 2.211 ( -1.190 0.000 4.684) 4.833 2.389 ( 4.938 -0.000 1.463) 5.150 2.419 ( 2.371 -0.000 -1.459) 2.784 2.465 ( -6.803 0.000 -1.885) 7.059 2.478 ( -1.689 0.000 2.113) 2.705 2.564 ( 0.266 -0.000 6.181) 6.187 2.683 ( 0.787 -0.000 -0.373) 0.871 2.738 ( -1.432 0.000 3.162) 3.472 3.003 ( 0.722 -0.000 -2.000) 2.127 3.025 ( 0.620 -0.000 -1.092) 1.255 3.050 ( 0.041 -0.000 -1.142) 1.143 3.151 ( -0.245 0.000 -0.813) 0.849 3.233 ( -0.182 0.000 -2.696) 2.702 3.293 ( -0.463 0.000 -1.647) 1.711 3.391 ( 3.152 -0.000 -18.594) 18.860 3.741 ( -1.065 0.000 7.076) 7.156 3.857 ( 1.010 -0.000 4.945) 5.047 3.946 ( 1.086 -0.000 -0.488) 1.191 4.039 ( 1.719 -0.000 -1.509) 2.287 4.075 ( -2.135 0.000 2.259) 3.108 4.143 ( 0.941 -0.000 -1.903) 2.123 4.185 ( -3.589 0.000 0.511) 3.626 4.296 ( 1.571 -0.000 3.485) 3.823 4.399 ( -1.308 0.000 -5.129) 5.294 4.465 ( -2.816 0.000 -5.677) 6.337 4.627 ( 2.448 -0.000 -9.141) 9.463 4.669 ( 12.736 -0.000 2.288) 12.940 4.798 ( -1.593 0.000 -2.166) 2.689 4.904 ( -0.748 0.000 11.832) 11.855 4.989 ( -1.254 0.000 -7.695) 7.797 5.206 ( -3.359 0.000 -3.865) 5.120 5.212 ( -5.700 0.000 -1.924) 6.016 5.377 ( 0.949 -0.000 -0.433) 1.043 5.610 ( -0.947 0.000 6.565) 6.633 5.632 ( -1.147 0.000 6.455) 6.556 5.909 ( 4.456 -0.000 3.298) 5.544 6.003 ( -2.639 0.000 3.292) 4.219 6.075 ( 0.723 -0.000 -4.470) 4.528 6.166 ( -1.660 0.000 -2.073) 2.655 6.253 ( -1.958 0.000 -5.907) 6.223 6.388 ( 0.341 -0.000 -0.140) 0.369 6.388 ( 2.224 -0.000 6.807) 7.161 6.740 ( 1.392 -0.000 -3.656) 3.912 7.035 ( 0.337 -0.000 1.947) 1.976 7.126 ( 14.598 -0.000 -0.106) 14.598 7.204 ( -3.175 0.000 0.569) 3.226 7.342 ( 2.373 -0.000 -3.655) 4.358 7.496 ( -2.516 0.000 1.843) 3.119 7.560 ( -0.826 0.000 0.278) 0.871 7.935 ( 2.182 -0.000 3.510) 4.133 8.036 ( -2.478 0.000 -0.721) 2.581 8.124 ( -0.004 0.000 1.635) 1.635 8.164 ( -4.358 0.000 -0.123) 4.360 8.383 ( -0.789 0.000 -3.360) 3.451 8.394 ( -0.776 0.000 1.260) 1.480 8.643 ( -1.968 0.000 5.721) 6.050 8.741 ( -5.298 0.000 -2.427) 5.827 8.800 ( 1.632 -0.000 -2.462) 2.954 8.897 ( 0.260 -0.000 -2.185) 2.201 11.883 ( -1.077 0.000 -0.191) 1.094 11.955 ( 0.881 -0.000 -1.557) 1.789 12.019 ( 0.462 -0.000 3.245) 3.278 12.171 ( -0.508 0.000 -0.834) 0.976 15.352 ( 0.328 -0.000 0.620) 0.701 15.401 ( -0.870 0.000 -0.624) 1.070 15.765 ( 5.908 -0.000 -0.245) 5.913 15.806 ( 0.193 -0.000 -0.670) 0.698 15.841 ( -0.029 0.000 1.982) 1.982 15.881 ( -5.339 0.000 2.276) 5.804 15.987 ( 0.003 -0.000 -2.515) 2.515 16.059 ( 0.368 -0.000 -1.587) 1.629 16.256 ( 1.110 -0.000 0.706) 1.315 16.297 ( -1.069 0.000 -0.315) 1.114 16.867 ( -0.021 0.000 2.041) 2.041 17.017 ( -4.132 0.000 -1.622) 4.439 ======================= Grid point 52 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 2.166 -12.096 16.812) 20.824 0.727 ( 12.578 -16.630 11.947) 24.031 1.163 ( 3.882 -17.046 12.571) 21.532 1.200 ( -1.654 0.025 0.437) 1.710 1.420 ( -0.812 -3.654 12.759) 13.296 1.532 ( 1.083 -2.674 -9.470) 9.900 1.664 ( 6.875 -8.001 -6.042) 12.157 1.913 ( -3.411 -1.298 7.247) 8.114 1.972 ( -1.167 -0.326 -2.846) 3.093 2.193 ( -3.314 1.802 0.715) 3.840 2.312 ( -2.559 6.021 0.040) 6.542 2.364 ( 2.507 5.422 -0.649) 6.009 2.420 ( -2.717 0.615 2.644) 3.841 2.539 ( 2.201 -1.824 0.954) 3.013 2.599 ( -0.044 -0.137 2.982) 2.986 2.653 ( 1.599 3.541 0.221) 3.891 2.702 ( 0.885 3.739 3.146) 4.966 2.916 ( 3.268 7.374 -3.347) 8.733 2.992 ( 0.183 4.460 -1.333) 4.659 3.064 ( -0.468 0.021 -0.836) 0.958 3.155 ( -2.635 0.519 2.106) 3.413 3.193 ( 1.694 -1.071 -2.703) 3.365 3.378 ( -0.717 -3.502 -3.390) 4.926 3.402 ( 3.003 -1.830 -9.647) 10.268 3.763 ( -2.610 -2.845 4.573) 5.985 3.888 ( -0.376 -1.282 4.989) 5.165 3.976 ( 0.415 -2.224 -0.000) 2.263 4.059 ( 0.046 1.513 -0.098) 1.517 4.083 ( 1.743 -2.306 -2.734) 3.978 4.159 ( 1.549 -0.839 1.372) 2.233 4.181 ( -2.370 -2.134 -0.948) 3.327 4.323 ( 0.940 -0.447 3.507) 3.658 4.368 ( -1.672 1.090 -3.414) 3.955 4.438 ( -2.236 -1.336 -6.183) 6.710 4.565 ( 2.865 5.985 6.792) 9.496 4.614 ( -2.406 3.108 -5.970) 7.148 4.867 ( -1.600 1.146 -3.949) 4.412 4.911 ( 2.196 -1.329 -0.331) 2.588 5.009 ( -1.052 -3.396 -3.003) 4.653 5.144 ( 1.758 0.022 -0.676) 1.884 5.195 ( -1.995 0.217 -2.858) 3.492 5.390 ( 0.725 -0.077 -1.386) 1.566 5.583 ( -2.073 1.097 6.471) 6.883 5.686 ( 1.163 -3.388 4.414) 5.685 5.916 ( 1.751 1.942 -0.578) 2.677 5.992 ( -2.113 -1.054 3.874) 4.537 6.089 ( -2.757 4.100 -2.021) 5.338 6.149 ( -0.025 -5.277 -1.108) 5.392 6.206 ( -1.483 -0.790 -2.359) 2.896 6.352 ( -3.029 0.361 2.463) 3.920 6.399 ( 2.094 2.537 5.735) 6.612 6.694 ( 0.016 4.841 -4.608) 6.683 7.040 ( -4.060 4.019 1.532) 5.915 7.049 ( -3.086 0.336 0.569) 3.156 7.236 ( 5.414 4.062 -0.891) 6.827 7.327 ( 4.402 5.109 -1.502) 6.909 7.580 ( 0.755 -4.866 -5.675) 7.514 7.613 ( -0.230 -5.483 -1.547) 5.701 7.854 ( 0.470 5.706 0.947) 5.803 8.026 ( 2.815 5.183 -0.062) 5.898 8.104 ( -0.546 -5.821 3.982) 7.074 8.284 ( 0.893 -6.468 -0.052) 6.529 8.386 ( 0.392 -1.520 -2.537) 2.983 8.391 ( -0.768 -0.141 2.013) 2.159 8.545 ( -4.186 5.322 8.508) 10.874 8.649 ( -2.701 0.687 3.569) 4.528 8.806 ( 1.809 1.455 -1.249) 2.636 8.892 ( 0.412 0.645 -2.078) 2.214 11.880 ( -0.979 -0.698 -0.236) 1.225 11.971 ( 1.245 -0.820 -1.213) 1.922 12.018 ( 0.507 0.997 3.223) 3.411 12.160 ( -0.823 0.581 -1.614) 1.903 15.357 ( -0.495 -1.317 0.751) 1.595 15.489 ( -0.853 -6.824 -3.367) 7.657 15.715 ( 0.533 5.933 2.327) 6.396 15.793 ( 0.099 1.088 1.503) 1.858 15.803 ( -2.063 0.403 0.906) 2.289 15.875 ( 2.082 0.919 2.438) 3.336 16.051 ( 0.934 -0.652 -3.247) 3.441 16.094 ( 1.753 -3.651 -5.924) 7.176 16.282 ( 1.003 -1.595 0.455) 1.938 16.309 ( 0.263 -2.036 -0.520) 2.117 16.692 ( -5.939 9.710 11.016) 15.840 16.893 ( -5.780 3.372 0.521) 6.712 ======================= Grid point 53 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 5.129 -16.954 6.005) 18.703 1.114 ( 2.943 -13.246 6.579) 15.080 1.149 ( -1.960 0.127 -0.705) 2.087 1.324 ( -0.412 -2.389 3.558) 4.306 1.569 ( -0.394 -3.753 -9.201) 9.945 1.687 ( 6.384 -8.594 2.978) 11.112 1.895 ( 8.323 -7.712 -3.340) 11.828 1.967 ( 1.283 -2.660 -6.390) 7.039 2.024 ( -2.109 -7.701 10.635) 13.299 2.098 ( -3.660 4.202 -1.052) 5.671 2.215 ( -3.286 -1.113 0.510) 3.507 2.286 ( 3.051 4.099 -1.549) 5.339 2.402 ( -2.164 -0.287 4.297) 4.820 2.497 ( -1.116 8.168 -2.912) 8.743 2.558 ( -0.317 4.885 3.559) 6.052 2.598 ( 0.188 1.908 3.881) 4.329 2.649 ( 5.957 4.517 -0.181) 7.479 2.849 ( 0.122 5.975 -5.956) 8.437 2.868 ( 5.373 4.159 2.712) 7.316 3.076 ( 0.649 -2.528 2.943) 3.934 3.143 ( -3.857 -1.504 3.513) 5.430 3.245 ( 1.287 -2.554 0.450) 2.895 3.368 ( 0.089 1.906 -4.540) 4.925 3.470 ( -0.615 -2.016 0.573) 2.184 3.788 ( -4.555 -1.644 2.302) 5.362 3.893 ( -1.809 0.547 1.839) 2.637 3.988 ( -2.602 1.793 -0.386) 3.183 4.023 ( 2.130 -0.169 3.213) 3.858 4.141 ( 3.054 -0.672 -3.676) 4.826 4.173 ( -1.116 0.347 0.248) 1.195 4.218 ( -0.983 -3.463 -0.096) 3.601 4.325 ( -1.436 0.607 -2.440) 2.895 4.343 ( 2.249 0.081 2.564) 3.411 4.466 ( -3.075 3.132 2.013) 4.829 4.483 ( 0.119 -3.948 -4.509) 5.995 4.604 ( 1.460 -1.673 -1.966) 2.965 4.815 ( 0.874 2.630 -6.246) 6.833 4.910 ( 0.014 1.777 1.197) 2.143 5.039 ( -2.829 -2.000 -2.302) 4.159 5.177 ( 2.556 -0.163 -3.120) 4.037 5.211 ( 2.610 -1.818 0.676) 3.252 5.393 ( 0.857 -0.076 -1.959) 2.139 5.574 ( -0.329 -0.683 4.287) 4.354 5.766 ( 2.426 -2.272 3.051) 4.512 5.876 ( -3.476 1.274 -2.992) 4.760 5.967 ( -4.180 2.322 -0.509) 4.809 6.027 ( -0.505 -0.813 2.853) 3.009 6.190 ( -0.695 -0.437 -2.452) 2.585 6.244 ( -0.013 -0.650 1.444) 1.584 6.331 ( -2.450 0.295 3.571) 4.340 6.389 ( 2.266 -0.830 0.985) 2.606 6.592 ( -0.998 3.682 -4.427) 5.844 6.899 ( -5.408 3.007 1.602) 6.392 7.067 ( -1.595 -1.063 0.859) 2.101 7.167 ( 1.852 5.861 -0.295) 6.154 7.255 ( 3.809 5.602 -0.044) 6.774 7.619 ( -0.525 -0.614 -6.009) 6.063 7.679 ( 0.713 -0.851 -2.358) 2.606 7.797 ( 0.517 0.545 -0.679) 1.013 7.996 ( 3.831 1.741 -0.728) 4.271 8.204 ( 1.114 -3.810 4.326) 5.871 8.349 ( -0.984 -0.510 0.024) 1.109 8.395 ( -0.285 -0.632 0.140) 0.708 8.448 ( 1.561 -2.258 3.137) 4.168 8.487 ( -3.912 -2.576 3.981) 6.147 8.622 ( -0.535 1.261 2.259) 2.642 8.794 ( 2.395 1.264 0.247) 2.719 8.868 ( -0.494 1.718 -1.997) 2.681 11.889 ( -0.877 -1.161 -0.003) 1.455 11.996 ( 0.863 0.822 1.572) 1.973 12.011 ( 0.975 -0.863 0.414) 1.366 12.130 ( -0.886 1.508 -2.041) 2.688 15.391 ( -0.972 -2.746 1.064) 3.101 15.596 ( 0.045 -4.787 -3.883) 6.164 15.620 ( -0.541 3.789 4.283) 5.744 15.776 ( -1.700 0.634 -0.468) 1.873 15.787 ( 1.815 1.026 2.089) 2.951 15.875 ( 0.644 0.767 2.461) 2.657 16.052 ( 0.630 0.332 -2.760) 2.851 16.125 ( 0.383 0.298 -4.513) 4.539 16.342 ( 2.216 -2.726 -1.526) 3.830 16.364 ( 0.718 -3.011 -0.800) 3.197 16.537 ( -3.984 4.060 8.145) 9.935 16.767 ( -4.067 4.900 -0.376) 6.379 ======================= Grid point 54 (20/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.412 0.491 0.098) 0.648 1.186 ( 2.011 -1.691 -0.762) 2.736 1.351 ( 0.231 -11.400 4.787) 12.367 1.409 ( 0.279 -4.087 6.190) 7.423 1.566 ( -2.195 2.258 -3.742) 4.890 1.806 ( 1.462 -2.861 -4.830) 5.801 1.962 ( -3.447 3.667 -1.844) 5.360 2.044 ( 1.894 1.092 -3.296) 3.955 2.058 ( 8.534 -1.805 -4.106) 9.641 2.107 ( 1.241 -6.961 -2.159) 7.393 2.243 ( -6.244 0.522 0.075) 6.266 2.288 ( 1.402 0.611 -2.476) 2.910 2.328 ( 1.439 5.146 2.297) 5.816 2.415 ( -0.918 1.189 2.795) 3.173 2.479 ( 0.015 4.421 3.882) 5.884 2.525 ( -0.611 -1.996 5.749) 6.116 2.647 ( 1.010 1.917 -1.491) 2.630 2.759 ( 0.095 1.413 -6.673) 6.822 2.966 ( 8.324 -5.071 2.204) 9.992 3.142 ( -3.408 -0.886 0.644) 3.579 3.173 ( 0.286 -5.106 7.173) 8.809 3.255 ( 1.090 3.227 2.248) 4.081 3.330 ( -1.277 0.881 -0.232) 1.569 3.445 ( -2.828 2.450 3.312) 4.997 3.719 ( -3.229 2.628 4.045) 5.805 3.869 ( -1.451 0.008 0.266) 1.475 3.965 ( -0.241 0.242 -1.568) 1.605 4.030 ( -0.155 1.704 2.239) 2.818 4.141 ( 0.696 -1.106 -1.736) 2.173 4.177 ( 0.283 0.738 -1.823) 1.987 4.242 ( -1.555 -0.507 1.525) 2.237 4.328 ( -0.463 -1.350 0.245) 1.448 4.378 ( 1.126 -1.081 0.623) 1.681 4.415 ( 0.799 -0.132 -1.547) 1.746 4.541 ( 1.375 -0.584 -2.397) 2.824 4.665 ( -0.296 -3.554 0.992) 3.702 4.777 ( 0.838 1.206 -7.581) 7.722 4.868 ( 0.543 2.534 1.164) 2.841 5.047 ( -2.166 -2.170 -2.923) 4.236 5.195 ( 2.142 0.995 -0.154) 2.367 5.252 ( 0.812 -0.459 1.671) 1.913 5.416 ( 1.295 -1.421 -1.940) 2.731 5.600 ( 1.156 -0.469 2.210) 2.538 5.774 ( 0.053 3.013 0.997) 3.174 5.808 ( -4.273 0.568 -3.423) 5.505 5.948 ( -1.165 -3.668 -0.919) 3.957 6.051 ( -0.185 -1.479 2.183) 2.643 6.149 ( 0.596 4.505 3.929) 6.007 6.247 ( 0.429 1.932 1.413) 2.432 6.273 ( -2.152 0.094 -3.238) 3.889 6.469 ( 2.053 -3.673 -1.811) 4.581 6.540 ( -1.008 1.619 -2.113) 2.847 6.849 ( -2.902 -1.261 2.174) 3.839 7.049 ( 1.234 3.918 2.268) 4.692 7.070 ( -0.977 2.210 -2.477) 3.461 7.228 ( 1.455 0.222 1.777) 2.307 7.602 ( 1.154 1.069 -6.029) 6.230 7.683 ( -0.330 -0.402 -2.345) 2.402 7.809 ( 0.289 -0.736 -1.054) 1.318 8.006 ( 1.778 0.428 -1.728) 2.516 8.270 ( 1.734 -0.754 3.776) 4.223 8.328 ( -2.303 0.222 2.579) 3.464 8.386 ( -0.726 1.222 0.663) 1.568 8.476 ( 0.461 -1.060 2.930) 3.149 8.555 ( -2.276 -4.711 1.018) 5.330 8.599 ( 1.377 1.428 1.607) 2.553 8.812 ( 0.341 1.054 -0.130) 1.115 8.815 ( 0.178 0.793 -0.905) 1.216 11.906 ( -0.458 -1.321 0.608) 1.524 11.976 ( 0.051 1.437 2.081) 2.529 12.049 ( 1.205 -0.859 -0.699) 1.637 12.090 ( -0.709 0.872 -2.193) 2.465 15.439 ( -1.064 -3.206 1.173) 3.576 15.537 ( 0.125 4.056 2.659) 4.852 15.694 ( 0.071 -4.596 -1.584) 4.862 15.745 ( -0.964 1.442 -1.753) 2.466 15.787 ( 1.230 0.845 3.032) 3.379 15.867 ( 0.065 0.632 2.408) 2.491 16.049 ( 0.555 0.073 -2.928) 2.981 16.108 ( 0.132 0.670 -3.052) 3.128 16.381 ( 1.953 0.985 -0.285) 2.205 16.413 ( -1.723 -1.374 -0.998) 2.419 16.498 ( 0.086 -2.334 3.510) 4.216 16.653 ( -2.269 3.781 -0.158) 4.413 ======================= Grid point 55 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.463 -0.433 0.727) 0.965 1.158 ( -0.352 4.607 -2.482) 5.245 1.290 ( -2.120 15.467 1.695) 15.703 1.426 ( -1.215 1.815 5.158) 5.601 1.623 ( 1.636 -6.609 -0.289) 6.814 1.815 ( 3.860 4.681 -2.950) 6.746 1.888 ( -1.796 2.680 -2.673) 4.189 2.036 ( 1.080 -0.400 -2.718) 2.952 2.087 ( -6.216 3.865 -3.033) 7.923 2.145 ( -1.985 0.948 -0.509) 2.258 2.210 ( 5.387 -2.062 -6.847) 8.952 2.286 ( 2.644 -3.821 1.534) 4.893 2.335 ( -0.674 1.804 1.948) 2.739 2.404 ( -1.364 -5.776 1.190) 6.054 2.502 ( -0.946 -1.894 4.972) 5.404 2.577 ( -0.155 -2.553 6.209) 6.715 2.629 ( -1.901 -1.761 -3.351) 4.236 2.746 ( -0.894 -0.201 -2.054) 2.249 2.952 ( -10.736 7.715 3.526) 13.683 3.129 ( 2.070 -0.328 -3.634) 4.195 3.156 ( -0.085 1.350 2.697) 3.018 3.309 ( 0.110 -3.249 4.140) 5.263 3.373 ( 1.270 0.235 2.793) 3.077 3.378 ( 1.537 -0.457 2.688) 3.130 3.729 ( 3.213 -2.773 4.429) 6.134 3.862 ( 0.025 0.065 0.540) 0.545 3.956 ( 1.760 1.158 -1.678) 2.693 3.992 ( -0.914 0.752 -0.116) 1.189 4.134 ( -1.238 2.232 -1.895) 3.179 4.196 ( 3.632 -1.173 -0.540) 3.854 4.238 ( -1.779 -0.645 2.002) 2.755 4.341 ( -0.668 -0.360 0.978) 1.237 4.370 ( -1.291 0.493 -1.309) 1.904 4.473 ( 0.480 -1.781 2.013) 2.730 4.520 ( 2.042 2.045 -3.692) 4.688 4.690 ( -0.748 1.089 -2.688) 2.995 4.779 ( -1.095 -2.688 -2.712) 3.972 4.848 ( 1.680 0.698 -0.034) 1.820 5.082 ( -1.046 -3.578 -2.982) 4.774 5.167 ( -0.166 2.811 -0.183) 2.822 5.251 ( 0.107 1.107 1.691) 2.024 5.435 ( -0.679 0.144 -1.757) 1.889 5.609 ( 0.199 -0.507 1.667) 1.754 5.707 ( -1.960 2.452 -0.018) 3.139 5.808 ( 3.241 -0.419 -3.731) 4.960 6.015 ( -0.375 -3.237 0.222) 3.266 6.070 ( -2.009 -0.713 6.439) 6.782 6.122 ( 4.903 0.904 0.579) 5.019 6.154 ( -0.901 3.020 -1.724) 3.593 6.323 ( 1.142 -2.326 -1.665) 3.080 6.465 ( -2.179 4.493 -0.966) 5.086 6.538 ( 1.431 -2.606 -2.593) 3.945 6.867 ( 2.329 0.252 3.150) 3.926 6.996 ( 0.026 0.364 -0.885) 0.957 7.088 ( -0.713 -3.892 -0.561) 3.997 7.255 ( -1.859 -2.636 2.250) 3.933 7.604 ( 3.449 0.183 -6.064) 6.978 7.682 ( -1.543 -0.486 -2.327) 2.834 7.825 ( 0.321 -1.015 -0.792) 1.327 7.988 ( -1.555 1.415 -2.455) 3.232 8.248 ( -0.314 2.923 1.337) 3.230 8.329 ( -0.052 0.760 5.163) 5.219 8.363 ( -0.435 -0.190 2.248) 2.298 8.501 ( -0.534 -0.385 -0.064) 0.661 8.570 ( 3.193 1.191 4.262) 5.457 8.642 ( -1.638 -3.818 1.529) 4.427 8.737 ( -3.454 2.245 -2.304) 4.720 8.855 ( 1.495 -1.280 -0.115) 1.971 11.927 ( 0.521 -0.370 1.601) 1.724 11.956 ( -0.863 0.194 1.047) 1.370 12.026 ( -0.263 2.042 -1.719) 2.682 12.113 ( 0.576 -2.044 -1.124) 2.403 15.459 ( -0.315 2.413 1.331) 2.774 15.507 ( -0.115 -2.303 2.179) 3.172 15.694 ( 0.011 3.293 -1.603) 3.662 15.755 ( -0.887 -2.218 -0.386) 2.420 15.797 ( 1.196 -0.770 2.409) 2.798 15.861 ( -0.638 0.069 1.998) 2.099 16.053 ( 0.356 -0.317 -2.843) 2.883 16.105 ( 0.933 -0.327 -3.437) 3.576 16.349 ( -0.912 1.961 0.306) 2.185 16.405 ( -0.796 0.664 -0.102) 1.041 16.550 ( -0.292 0.366 2.902) 2.940 16.632 ( 2.764 -3.561 -0.752) 4.570 ======================= Grid point 56 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.287 21.393 1.863) 21.476 1.007 ( -6.178 11.184 2.707) 13.061 1.151 ( 1.766 -1.587 0.192) 2.382 1.382 ( -1.833 1.488 5.037) 5.562 1.658 ( 3.240 5.362 -2.612) 6.787 1.703 ( -3.573 8.991 -1.367) 9.771 1.765 ( -5.050 6.913 -4.193) 9.533 1.996 ( -6.156 1.782 1.337) 6.547 2.053 ( -1.139 5.100 4.839) 7.121 2.086 ( 3.539 -0.554 0.766) 3.663 2.206 ( -1.068 -0.943 -1.136) 1.822 2.320 ( 1.437 -0.435 0.103) 1.505 2.431 ( 2.055 -6.101 0.673) 6.473 2.466 ( -2.742 -0.960 4.684) 5.512 2.551 ( -0.040 -5.941 0.801) 5.995 2.615 ( 0.087 -1.006 3.072) 3.234 2.675 ( -4.073 -2.080 1.115) 4.708 2.725 ( -0.457 -7.005 -5.103) 8.678 2.910 ( -3.262 -7.066 -0.609) 7.806 3.074 ( -0.534 2.293 3.658) 4.350 3.181 ( 2.241 1.151 -3.137) 4.024 3.283 ( -3.907 3.541 5.684) 7.753 3.359 ( 1.196 -1.718 -5.216) 5.621 3.433 ( 2.423 1.498 0.104) 2.850 3.816 ( 3.880 2.138 4.966) 6.655 3.886 ( 1.257 -3.463 2.412) 4.404 3.944 ( 2.110 1.322 -0.658) 2.576 3.993 ( -0.285 -0.839 -0.742) 1.156 4.084 ( 1.865 2.524 -4.069) 5.138 4.185 ( -0.092 2.950 0.642) 3.020 4.270 ( -0.692 -2.347 0.696) 2.544 4.332 ( 0.499 0.893 -0.972) 1.411 4.357 ( -3.758 -1.219 1.584) 4.256 4.422 ( 2.109 3.691 0.620) 4.296 4.573 ( -1.276 -3.269 -1.812) 3.950 4.632 ( -0.974 1.878 -7.084) 7.394 4.824 ( 0.697 -1.516 6.324) 6.541 4.861 ( 2.248 -0.163 -5.339) 5.795 5.098 ( -2.014 2.430 -2.435) 3.986 5.146 ( -0.418 -3.241 -3.150) 4.539 5.227 ( -1.081 0.541 1.463) 1.898 5.413 ( -0.968 0.265 -3.111) 3.269 5.629 ( -1.939 -0.658 2.195) 3.002 5.656 ( 1.379 1.924 4.068) 4.706 5.831 ( 3.583 0.874 -3.490) 5.078 6.040 ( -0.363 -1.178 1.076) 1.637 6.056 ( 0.280 3.250 2.614) 4.180 6.150 ( 1.624 -4.611 0.421) 4.907 6.202 ( 4.208 -0.888 -0.310) 4.312 6.318 ( 0.321 4.795 1.047) 4.919 6.370 ( -1.453 0.987 0.154) 1.763 6.618 ( 0.771 -5.216 -3.192) 6.164 6.900 ( 5.393 -0.216 2.113) 5.796 7.020 ( 2.116 -1.207 -0.984) 2.627 7.168 ( -2.788 -5.378 -0.016) 6.058 7.295 ( -3.752 -4.250 0.862) 5.735 7.617 ( 5.197 3.149 -5.891) 8.463 7.670 ( -2.055 -0.650 -2.644) 3.411 7.846 ( -1.075 -1.222 0.413) 1.679 7.939 ( -2.641 -0.033 -2.063) 3.351 8.194 ( -0.440 2.339 0.013) 2.380 8.318 ( 0.909 0.916 5.706) 5.850 8.371 ( -0.136 0.098 3.503) 3.507 8.463 ( -2.359 2.203 -0.538) 3.272 8.615 ( 3.496 -0.999 5.804) 6.849 8.633 ( -4.061 1.759 3.403) 5.583 8.724 ( -1.103 -3.412 -3.540) 5.039 8.882 ( 0.399 -0.841 -1.400) 1.681 11.919 ( -0.130 1.126 1.072) 1.561 11.965 ( -0.040 -0.534 0.074) 0.540 11.993 ( -0.290 0.592 -0.082) 0.664 12.151 ( 0.354 -1.572 -1.121) 1.963 15.406 ( -0.142 2.777 1.199) 3.028 15.559 ( 1.289 -1.274 -0.320) 1.840 15.626 ( -0.197 2.994 0.614) 3.063 15.780 ( -1.428 -2.090 0.999) 2.721 15.827 ( 1.365 -0.357 1.152) 1.822 15.860 ( -1.835 -0.953 1.972) 2.857 16.057 ( -0.053 -0.268 -2.490) 2.505 16.119 ( 1.414 -0.138 -5.733) 5.907 16.304 ( -0.982 1.965 -0.186) 2.205 16.372 ( -1.045 1.958 0.019) 2.219 16.557 ( 1.084 -1.688 7.083) 7.362 16.761 ( 4.627 -5.442 -0.482) 7.160 ======================= Grid point 57 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -1.235 14.669 13.493) 19.969 0.676 ( -12.795 14.269 11.420) 22.309 1.196 ( -1.397 3.708 2.309) 4.587 1.216 ( -9.127 15.779 11.320) 21.458 1.420 ( -2.669 2.829 14.416) 14.932 1.583 ( 1.309 4.530 -6.229) 7.813 1.593 ( -2.079 5.234 -9.535) 11.074 1.917 ( 0.386 0.334 8.160) 8.176 2.004 ( -1.728 0.537 -2.089) 2.764 2.198 ( 4.409 -2.528 1.538) 5.310 2.257 ( 1.698 -4.894 0.220) 5.185 2.372 ( 2.069 -2.536 0.440) 3.302 2.486 ( -1.563 -1.749 0.666) 2.439 2.518 ( -2.899 -2.913 0.756) 4.179 2.592 ( -1.138 1.647 1.107) 2.287 2.632 ( 0.382 -2.366 2.119) 3.199 2.718 ( -2.479 -4.026 2.545) 5.369 2.899 ( -0.103 -9.545 -4.964) 10.759 3.002 ( -1.263 -3.894 0.123) 4.096 3.060 ( 1.524 0.975 -1.138) 2.138 3.167 ( 1.504 0.618 -3.211) 3.599 3.204 ( -3.186 1.128 3.275) 4.706 3.382 ( 1.903 0.034 -11.774) 11.927 3.391 ( 0.529 3.639 -3.143) 4.837 3.771 ( 0.669 3.685 5.764) 6.874 3.876 ( 0.300 2.683 3.401) 4.342 3.976 ( 0.649 3.139 -0.365) 3.226 4.018 ( 2.085 -2.310 -1.026) 3.276 4.075 ( 2.558 -0.371 -3.359) 4.238 4.138 ( -0.185 1.440 2.744) 3.104 4.246 ( -3.696 1.651 -2.346) 4.679 4.322 ( -1.300 2.452 1.908) 3.368 4.373 ( 2.214 -3.398 0.733) 4.122 4.437 ( 3.189 -1.885 3.738) 5.263 4.532 ( -4.122 0.515 -6.134) 7.408 4.652 ( 1.249 -1.436 -5.710) 6.019 4.856 ( 3.249 3.013 -4.359) 6.215 4.868 ( 1.503 -1.018 7.499) 7.716 5.033 ( -1.637 1.976 -4.270) 4.981 5.175 ( -3.749 -3.372 -3.330) 6.043 5.242 ( -1.049 -2.005 -0.848) 2.416 5.395 ( -0.390 0.885 -3.870) 3.989 5.614 ( -2.704 -0.560 6.385) 6.956 5.651 ( 1.340 1.963 5.103) 5.630 5.852 ( 3.990 -0.311 0.150) 4.005 6.018 ( -0.633 0.819 0.765) 1.287 6.095 ( 2.180 -3.568 -0.418) 4.202 6.158 ( -0.741 4.770 0.283) 4.835 6.215 ( 1.845 -0.461 -1.948) 2.722 6.324 ( 4.096 -2.508 4.657) 6.690 6.368 ( -0.053 -0.481 2.151) 2.204 6.709 ( -0.731 -4.068 -3.383) 5.341 6.975 ( 5.705 -1.567 0.326) 5.926 7.063 ( 5.583 0.625 0.499) 5.640 7.214 ( -4.844 -3.098 0.430) 5.766 7.334 ( -3.370 -2.944 -2.008) 4.905 7.559 ( 3.110 5.481 -4.059) 7.496 7.628 ( -1.261 3.855 -0.727) 4.121 7.869 ( -2.162 -3.950 0.618) 4.545 7.979 ( 2.058 -3.978 -0.971) 4.583 8.146 ( -2.242 1.911 -0.538) 2.994 8.289 ( -2.623 3.910 2.601) 5.379 8.381 ( 0.164 -1.099 1.093) 1.559 8.409 ( -1.851 0.746 0.804) 2.152 8.603 ( -3.470 -3.436 7.004) 8.538 8.668 ( 0.939 -1.910 4.972) 5.408 8.776 ( 1.113 -2.235 -2.476) 3.517 8.893 ( 0.195 -0.384 -2.126) 2.170 11.898 ( -0.843 0.624 0.217) 1.071 11.958 ( 0.565 0.676 -1.734) 1.945 12.004 ( 0.093 -0.833 2.739) 2.865 12.172 ( 0.012 -0.598 -1.162) 1.307 15.362 ( -0.284 1.639 0.543) 1.749 15.500 ( 1.068 6.514 -3.802) 7.618 15.660 ( 2.229 -3.677 4.174) 5.993 15.805 ( -0.657 -1.066 -0.205) 1.269 15.837 ( 1.016 0.476 1.726) 2.059 15.872 ( -4.413 -3.258 2.150) 5.892 16.052 ( -0.268 0.497 -3.037) 3.089 16.093 ( 0.075 3.340 -6.814) 7.588 16.265 ( 0.170 1.559 0.187) 1.579 16.324 ( -1.287 1.622 -0.009) 2.071 16.691 ( 3.177 -9.896 11.606) 15.580 16.900 ( 5.718 -4.263 0.895) 7.188 ======================= Grid point 59 (24/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 14.245 -0.000 16.842) 22.058 0.700 ( 10.225 -0.000 20.665) 23.056 1.041 ( 20.781 -0.000 21.275) 29.740 1.181 ( -3.832 0.000 -1.222) 4.022 1.386 ( -3.704 0.000 10.992) 11.599 1.588 ( 11.862 -0.000 -12.407) 17.165 1.598 ( 3.542 -0.000 -4.811) 5.974 1.867 ( -5.418 0.000 5.394) 7.646 1.959 ( -1.047 0.000 -2.550) 2.757 2.167 ( -4.578 0.000 0.976) 4.680 2.330 ( -7.119 0.000 -2.119) 7.428 2.390 ( -3.254 0.000 5.494) 6.385 2.486 ( 1.460 -0.000 -6.367) 6.533 2.527 ( 3.563 -0.000 1.299) 3.793 2.595 ( 1.041 -0.000 6.856) 6.934 2.713 ( 2.173 -0.000 -0.724) 2.290 2.752 ( 2.420 -0.000 3.633) 4.365 3.024 ( -0.018 0.000 -1.280) 1.280 3.042 ( 3.375 -0.000 -2.107) 3.978 3.044 ( -0.436 0.000 -1.161) 1.240 3.148 ( 0.565 -0.000 -0.919) 1.079 3.218 ( -0.704 0.000 -2.247) 2.354 3.298 ( 0.049 -0.000 -0.749) 0.750 3.404 ( 3.257 -0.000 -17.007) 17.316 3.714 ( -3.989 0.000 6.325) 7.477 3.898 ( 1.431 -0.000 6.864) 7.011 3.948 ( -1.505 0.000 1.017) 1.816 4.035 ( -1.365 0.000 2.093) 2.499 4.085 ( 3.640 -0.000 -0.926) 3.756 4.158 ( -0.591 0.000 0.008) 0.591 4.169 ( 2.055 -0.000 -1.736) 2.690 4.328 ( 1.616 -0.000 2.489) 2.967 4.342 ( -3.030 0.000 -6.787) 7.432 4.415 ( -0.698 0.000 -1.543) 1.694 4.616 ( -1.190 0.000 -8.580) 8.662 4.738 ( -5.182 0.000 6.694) 8.466 4.751 ( -2.592 0.000 -2.603) 3.674 4.914 ( 0.446 -0.000 3.912) 3.937 4.949 ( -0.489 0.000 -10.654) 10.666 5.170 ( 1.085 -0.000 -2.590) 2.808 5.187 ( 3.602 -0.000 3.159) 4.791 5.402 ( 1.688 -0.000 -1.392) 2.188 5.607 ( -0.999 0.000 6.759) 6.832 5.641 ( -0.170 0.000 5.546) 5.549 5.928 ( -3.305 0.000 -1.233) 3.527 6.007 ( 1.692 -0.000 9.166) 9.321 6.078 ( 0.284 -0.000 -4.983) 4.991 6.093 ( -5.074 0.000 -3.201) 5.999 6.163 ( -3.193 0.000 -2.404) 3.997 6.307 ( -6.462 0.000 1.493) 6.632 6.449 ( 1.938 -0.000 6.648) 6.924 6.751 ( 0.077 -0.000 -6.091) 6.091 6.967 ( -6.399 0.000 1.362) 6.542 7.051 ( -7.745 0.000 -2.062) 8.015 7.419 ( -0.814 0.000 -1.997) 2.156 7.441 ( 10.922 -0.000 -5.163) 12.080 7.467 ( 5.422 -0.000 1.184) 5.549 7.553 ( 0.658 -0.000 1.720) 1.842 7.959 ( -1.473 0.000 -1.063) 1.817 8.017 ( 5.000 -0.000 3.307) 5.995 8.135 ( 0.127 -0.000 3.049) 3.052 8.189 ( 1.662 -0.000 -2.925) 3.364 8.359 ( -0.700 0.000 -4.255) 4.313 8.392 ( -0.174 0.000 3.488) 3.493 8.605 ( -3.091 0.000 5.507) 6.315 8.612 ( -4.597 0.000 3.658) 5.875 8.829 ( 1.590 -0.000 -1.725) 2.347 8.906 ( 1.458 -0.000 -2.319) 2.739 11.864 ( -0.848 0.000 -0.368) 0.925 11.974 ( 1.380 -0.000 -1.146) 1.793 12.039 ( 0.603 -0.000 3.326) 3.380 12.153 ( -1.051 0.000 -1.193) 1.590 15.364 ( 0.527 -0.000 1.172) 1.285 15.381 ( -0.994 0.000 -0.894) 1.336 15.745 ( -5.040 0.000 4.440) 6.717 15.801 ( -0.348 0.000 -0.726) 0.805 15.812 ( 0.603 -0.000 0.605) 0.854 15.990 ( 7.916 -0.000 -3.397) 8.614 15.999 ( 1.676 -0.000 -2.210) 2.774 16.068 ( 1.087 -0.000 -2.158) 2.417 16.280 ( -0.608 0.000 -1.166) 1.315 16.291 ( 2.211 -0.000 1.557) 2.705 16.740 ( -16.321 0.000 11.711) 20.088 16.828 ( -4.522 0.000 1.638) 4.809 ======================= Grid point 60 (25/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 14.469 -4.737 14.423) 20.972 0.935 ( 7.731 -10.127 13.593) 18.631 1.138 ( -3.508 0.456 -1.526) 3.853 1.301 ( 1.905 -1.426 2.830) 3.698 1.529 ( 7.492 -7.717 3.362) 11.269 1.594 ( 10.666 -5.099 2.651) 12.116 1.787 ( 4.981 -6.806 -0.790) 8.471 1.896 ( 3.703 -5.649 0.562) 6.778 1.941 ( -1.077 -0.124 -2.787) 2.991 2.107 ( -5.563 1.448 -0.756) 5.798 2.219 ( -5.260 3.212 -2.633) 6.702 2.369 ( -4.580 -0.167 4.859) 6.679 2.418 ( 2.282 5.532 -3.864) 7.123 2.558 ( 0.125 0.414 1.098) 1.180 2.617 ( 0.558 0.701 5.169) 5.246 2.680 ( 1.084 4.303 1.134) 4.580 2.767 ( 4.028 2.216 1.064) 4.719 2.968 ( 1.301 5.249 -1.243) 5.549 3.001 ( 1.735 4.835 -1.221) 5.280 3.056 ( 0.295 0.495 -0.827) 1.008 3.131 ( 0.371 1.554 0.080) 1.600 3.210 ( 0.606 -1.670 -0.578) 1.868 3.349 ( -2.154 -3.694 -2.522) 4.964 3.425 ( 1.982 -1.362 -9.397) 9.700 3.703 ( -5.132 -2.482 4.205) 7.084 3.882 ( -1.436 1.046 4.885) 5.198 3.972 ( -1.535 -1.381 2.870) 3.536 4.037 ( -0.759 0.301 1.811) 1.987 4.132 ( 0.979 -1.131 -1.707) 2.270 4.169 ( -0.078 -1.704 0.381) 1.747 4.182 ( 2.276 -0.159 -0.961) 2.475 4.310 ( -1.783 -0.098 -4.946) 5.258 4.365 ( 2.521 -0.817 2.484) 3.632 4.416 ( 0.825 -1.495 -2.546) 3.065 4.526 ( -3.862 5.604 0.921) 6.868 4.614 ( 0.496 1.681 -1.902) 2.586 4.818 ( -2.344 -2.175 -5.103) 6.022 4.920 ( -1.190 -0.086 3.202) 3.417 4.962 ( -1.300 -2.755 -6.910) 7.552 5.194 ( 3.778 -0.514 -2.067) 4.337 5.237 ( 5.991 -0.080 1.143) 6.099 5.407 ( 1.458 0.678 -2.619) 3.073 5.575 ( -0.490 0.970 5.990) 6.088 5.713 ( 0.069 -4.632 4.122) 6.201 5.869 ( -4.608 2.019 -2.308) 5.535 5.980 ( -4.268 2.999 1.436) 5.410 6.029 ( -0.395 0.813 1.193) 1.496 6.117 ( -3.022 -3.325 -4.503) 6.362 6.191 ( 0.305 -4.137 0.033) 4.148 6.275 ( -4.943 -2.438 2.899) 6.227 6.444 ( 0.977 2.591 4.659) 5.420 6.664 ( -1.753 5.793 -4.628) 7.619 6.929 ( -5.499 4.508 -0.524) 7.130 6.974 ( -4.855 -4.575 -0.031) 6.672 7.311 ( 1.799 6.262 -0.173) 6.518 7.414 ( 3.349 6.346 -0.321) 7.182 7.585 ( 1.407 -1.303 -0.046) 1.919 7.634 ( 3.792 -4.696 -2.383) 6.489 7.877 ( 1.600 5.256 -2.508) 6.039 8.070 ( 1.452 2.539 0.448) 2.959 8.145 ( 3.255 -4.063 0.968) 5.295 8.282 ( -1.863 -6.704 1.325) 7.083 8.356 ( -1.380 -0.615 -2.846) 3.222 8.396 ( -0.502 -0.448 3.395) 3.461 8.528 ( 0.120 3.482 5.518) 6.526 8.623 ( -0.620 -0.929 3.475) 3.650 8.829 ( 1.126 0.891 -1.548) 2.112 8.901 ( 1.036 1.694 -2.250) 3.001 11.864 ( -0.626 -0.699 -0.204) 0.961 11.994 ( 1.410 -0.943 -1.027) 1.983 12.035 ( 0.296 1.226 3.107) 3.353 12.138 ( -1.022 0.536 -1.538) 1.923 15.349 ( -0.577 -0.691 0.930) 1.294 15.468 ( -0.576 -6.527 -1.338) 6.688 15.683 ( -3.165 2.678 3.733) 5.579 15.785 ( -0.274 1.123 -0.673) 1.337 15.817 ( 0.938 0.187 1.379) 1.678 15.935 ( 3.564 3.919 0.879) 5.369 16.064 ( 1.337 0.325 -2.859) 3.173 16.118 ( 2.179 -1.875 -4.723) 5.529 16.284 ( -0.043 -2.167 -1.132) 2.445 16.342 ( 2.437 -2.102 0.630) 3.279 16.581 ( -7.489 3.958 9.662) 12.850 16.775 ( -6.684 1.387 0.334) 6.834 ======================= Grid point 61 (26/72) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.963 -1.840 0.831) 2.236 1.125 ( 6.834 -8.335 4.682) 11.752 1.162 ( 2.749 -8.278 4.726) 9.921 1.341 ( 0.690 -3.511 5.977) 6.966 1.572 ( 2.810 0.197 -4.770) 5.539 1.784 ( 2.029 -0.612 -1.466) 2.577 1.944 ( -4.448 -7.156 9.195) 12.471 1.982 ( -0.031 -2.678 -4.545) 5.275 2.058 ( 2.067 -1.849 -0.608) 2.839 2.096 ( 7.822 -4.098 -0.529) 8.846 2.150 ( -2.088 -1.462 -5.054) 5.660 2.315 ( -2.590 1.294 0.083) 2.897 2.362 ( 2.312 1.934 -0.766) 3.110 2.503 ( -0.592 4.808 0.244) 4.851 2.562 ( -0.894 4.249 2.896) 5.219 2.622 ( 1.451 5.723 2.976) 6.612 2.734 ( 3.537 5.486 -2.590) 7.022 2.816 ( -1.212 6.949 -5.131) 8.723 2.991 ( 5.537 -0.985 3.442) 6.594 3.067 ( -1.240 -1.997 4.229) 4.838 3.154 ( 4.049 -1.268 -0.292) 4.253 3.270 ( 1.263 -3.104 1.757) 3.784 3.350 ( -1.011 1.410 -3.092) 3.546 3.441 ( -2.368 -0.375 -0.457) 2.441 3.700 ( -5.601 -1.159 3.637) 6.778 3.863 ( -1.716 0.659 1.231) 2.213 3.930 ( -3.729 0.419 1.795) 4.160 4.037 ( -2.341 0.034 3.003) 3.808 4.121 ( -1.073 -0.204 -0.407) 1.166 4.178 ( -0.161 -1.332 -2.612) 2.937 4.238 ( 2.989 0.227 -0.174) 3.003 4.308 ( 0.298 -0.718 0.015) 0.777 4.390 ( 2.476 -0.202 1.128) 2.728 4.421 ( -2.453 1.831 -1.182) 3.281 4.508 ( 2.798 -4.315 -2.138) 5.570 4.605 ( -0.586 -0.712 0.191) 0.942 4.807 ( 0.079 0.925 -7.787) 7.842 4.902 ( -1.415 1.056 3.237) 3.687 4.992 ( -0.414 -2.147 -4.090) 4.638 5.237 ( 4.085 0.365 -0.077) 4.102 5.284 ( 4.682 0.822 0.996) 4.857 5.410 ( 1.744 -0.324 -3.073) 3.548 5.596 ( 1.234 -1.303 3.807) 4.208 5.757 ( -6.376 -0.619 0.688) 6.443 5.810 ( -1.043 0.936 -1.058) 1.756 5.888 ( -1.900 -0.503 -3.570) 4.075 6.027 ( -1.195 -0.213 3.090) 3.320 6.145 ( -2.709 -3.312 -3.429) 5.483 6.245 ( -0.792 -0.659 2.055) 2.299 6.293 ( -2.432 -0.282 4.917) 5.493 6.425 ( 1.414 -1.162 -0.470) 1.890 6.555 ( -1.373 2.855 -3.807) 4.953 6.821 ( -3.369 2.179 0.778) 4.087 7.008 ( -3.286 -2.889 -1.392) 4.591 7.221 ( 2.817 6.240 0.878) 6.902 7.304 ( 0.970 6.690 1.487) 6.921 7.587 ( -1.650 -0.136 -1.257) 2.079 7.709 ( 3.254 0.468 -4.377) 5.474 7.827 ( 2.865 1.335 -1.811) 3.643 8.039 ( 1.035 1.876 -2.289) 3.136 8.242 ( 1.299 -3.522 3.600) 5.201 8.335 ( -0.690 1.257 -0.114) 1.439 8.387 ( -0.955 -3.364 0.092) 3.498 8.415 ( -2.796 -4.471 3.506) 6.332 8.497 ( 1.614 1.613 4.660) 5.189 8.639 ( 1.372 0.386 1.897) 2.373 8.825 ( 1.084 0.140 -0.652) 1.273 8.853 ( -0.488 3.278 -2.085) 3.915 11.878 ( -0.297 -1.255 0.185) 1.303 12.009 ( -0.086 1.573 2.199) 2.705 12.032 ( 1.171 -1.541 -0.565) 2.016 12.108 ( -0.691 1.528 -1.792) 2.454 15.376 ( -0.855 -2.552 1.310) 2.993 15.583 ( -0.509 -5.507 -2.518) 6.077 15.609 ( -1.502 2.549 3.783) 4.802 15.761 ( 0.098 1.269 -0.747) 1.476 15.821 ( 0.725 0.629 2.077) 2.288 15.906 ( 2.062 2.449 1.858) 3.702 16.060 ( 0.970 0.696 -2.982) 3.212 16.122 ( 0.365 1.035 -3.145) 3.331 16.350 ( -0.176 -3.679 -1.874) 4.133 16.401 ( 2.723 -1.620 -0.371) 3.190 16.488 ( -2.987 1.795 6.187) 7.101 16.677 ( -5.275 2.501 -0.328) 5.847 ======================= Grid point 62 (27/72) ======================= q-point: ( 0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.906 -0.612 1.274) 1.679 1.187 ( -0.920 -0.002 -0.840) 1.245 1.417 ( 0.042 -3.118 3.417) 4.626 1.473 ( 8.247 -8.443 7.048) 13.746 1.544 ( 1.454 4.835 -2.891) 5.818 1.802 ( -0.989 -2.492 -6.200) 6.754 1.909 ( -2.349 0.752 -1.385) 2.828 2.047 ( -2.168 -0.102 1.454) 2.613 2.102 ( -2.883 1.808 -4.195) 5.402 2.141 ( 2.516 -3.885 -0.640) 4.672 2.217 ( 5.953 -2.358 -0.801) 6.452 2.300 ( -2.259 3.461 2.619) 4.893 2.362 ( 2.881 1.506 -2.598) 4.161 2.398 ( 0.038 3.946 -0.921) 4.052 2.500 ( -2.218 1.009 2.937) 3.816 2.516 ( 0.976 1.713 3.338) 3.877 2.627 ( -2.354 4.583 -2.023) 5.535 2.745 ( 0.792 1.269 -5.134) 5.347 3.049 ( -4.804 5.207 3.273) 7.804 3.113 ( 6.946 -2.883 -2.613) 7.961 3.192 ( -0.623 1.399 4.544) 4.795 3.283 ( -0.184 1.344 3.834) 4.067 3.364 ( 2.311 -3.120 2.753) 4.760 3.401 ( -0.478 0.913 2.004) 2.253 3.692 ( -1.251 -2.710 4.863) 5.706 3.839 ( -1.496 -0.949 -0.744) 1.921 3.943 ( -1.626 -2.819 -1.463) 3.568 3.993 ( -3.531 1.056 2.603) 4.512 4.144 ( 0.316 -0.356 -0.695) 0.842 4.193 ( 0.137 -1.025 -0.476) 1.139 4.233 ( 1.636 1.133 0.611) 2.082 4.321 ( -0.714 -0.622 0.459) 1.052 4.399 ( 0.900 0.999 -3.668) 3.907 4.425 ( 0.612 -2.040 2.050) 2.956 4.564 ( 0.757 0.336 0.440) 0.938 4.647 ( -1.322 -4.719 -0.820) 4.969 4.763 ( 0.498 3.167 -8.199) 8.804 4.874 ( -0.927 0.849 2.442) 2.747 5.031 ( 1.668 -2.045 -2.907) 3.926 5.226 ( 0.624 3.127 0.465) 3.223 5.300 ( 3.723 1.934 0.581) 4.235 5.435 ( 0.974 -0.115 -0.982) 1.388 5.596 ( -2.729 0.171 1.121) 2.956 5.713 ( -3.004 1.131 -0.400) 3.235 5.807 ( 3.036 -3.393 -2.862) 5.378 5.944 ( 0.511 -2.825 -0.849) 2.994 6.030 ( -2.435 -1.859 2.067) 3.696 6.159 ( -0.447 0.027 1.569) 1.632 6.226 ( -2.625 4.092 5.007) 6.979 6.264 ( 1.304 -2.633 -3.884) 4.871 6.488 ( 0.222 -1.495 -2.584) 2.994 6.516 ( -0.282 -0.047 -1.812) 1.834 6.806 ( -1.895 -3.220 1.928) 4.204 7.029 ( -1.297 -2.397 -2.246) 3.532 7.112 ( 3.180 7.982 2.108) 8.847 7.226 ( -1.829 1.541 1.938) 3.079 7.580 ( -1.827 -1.509 -2.277) 3.286 7.697 ( 2.269 1.784 -5.016) 5.787 7.847 ( 4.016 0.532 -1.847) 4.452 8.001 ( -1.577 1.908 -2.764) 3.710 8.289 ( -2.093 0.843 0.468) 2.304 8.319 ( 1.836 -1.272 5.282) 5.734 8.385 ( -0.199 1.320 3.948) 4.168 8.495 ( -0.280 -1.474 -0.015) 1.500 8.523 ( -0.334 -4.947 2.058) 5.369 8.635 ( 1.923 1.602 2.262) 3.373 8.769 ( -2.058 4.092 -1.607) 4.854 8.843 ( 0.618 -1.031 -0.377) 1.260 11.905 ( 0.061 -1.669 0.804) 1.854 11.976 ( -0.486 1.733 1.871) 2.596 12.066 ( 0.228 2.235 -1.322) 2.606 12.076 ( 0.241 -2.082 -1.536) 2.599 15.426 ( -0.527 -3.261 1.535) 3.643 15.534 ( -0.996 3.132 2.316) 4.021 15.686 ( -0.335 -4.226 -1.277) 4.428 15.738 ( 0.522 1.286 -0.875) 1.640 15.811 ( 0.225 0.831 2.579) 2.719 15.881 ( 0.692 1.827 1.619) 2.537 16.054 ( 0.671 0.320 -2.979) 3.070 16.107 ( 0.514 0.254 -3.001) 3.056 16.361 ( -2.230 0.588 0.565) 2.374 16.430 ( 2.316 1.162 -0.562) 2.652 16.516 ( 0.712 -4.052 2.044) 4.594 16.604 ( -2.745 0.454 -0.083) 2.783 ======================= Grid point 63 (28/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.060 -1.005 0.209) 1.028 1.139 ( -0.451 4.878 -1.314) 5.072 1.326 ( 4.056 17.307 1.287) 17.823 1.412 ( -1.676 2.857 5.601) 6.507 1.676 ( 2.213 -5.641 1.747) 6.306 1.815 ( 0.493 2.249 -7.615) 7.955 1.897 ( -5.027 11.996 -5.719) 14.209 1.941 ( 1.336 -3.335 -2.724) 4.509 2.094 ( 0.391 -0.527 -1.229) 1.393 2.112 ( 2.607 2.118 -1.364) 3.626 2.221 ( -5.404 2.899 -1.578) 6.332 2.311 ( 4.130 -4.382 -2.791) 6.637 2.383 ( 2.825 1.256 2.957) 4.278 2.401 ( -0.214 -4.727 2.939) 5.570 2.476 ( -2.654 -0.101 4.930) 5.600 2.556 ( -3.584 -0.398 -1.664) 3.971 2.608 ( 0.560 -8.000 3.996) 8.960 2.724 ( -1.060 4.868 1.467) 5.194 2.816 ( -3.389 5.368 1.288) 6.478 3.121 ( -1.264 3.589 4.825) 6.145 3.208 ( 3.671 -1.357 -4.320) 5.829 3.305 ( -4.135 1.691 4.952) 6.669 3.328 ( -0.183 -0.973 4.564) 4.671 3.474 ( 3.142 -0.658 -0.786) 3.305 3.796 ( 2.262 -6.559 3.824) 7.922 3.866 ( 0.478 -0.986 1.254) 1.665 3.961 ( -1.033 0.241 0.103) 1.066 3.975 ( 0.273 -1.409 -1.170) 1.852 4.117 ( -0.068 1.340 -3.136) 3.411 4.207 ( -1.903 -0.790 2.337) 3.116 4.266 ( 3.593 -0.715 -0.390) 3.684 4.309 ( -1.809 0.599 -0.575) 1.990 4.363 ( 0.003 2.388 -2.410) 3.393 4.479 ( -1.331 -2.958 3.968) 5.125 4.536 ( 1.141 2.713 -0.584) 3.000 4.679 ( -0.591 4.400 -8.292) 9.406 4.733 ( -0.702 -5.542 -2.656) 6.185 4.868 ( 0.073 -0.472 1.348) 1.430 5.088 ( 2.017 -2.072 -2.500) 3.822 5.157 ( -0.804 3.311 0.200) 3.413 5.267 ( 0.722 3.694 -0.155) 3.767 5.413 ( -1.097 1.186 -1.261) 2.049 5.593 ( -1.957 -1.257 1.113) 2.578 5.695 ( 1.354 0.095 1.675) 2.156 5.880 ( 4.456 0.768 -4.066) 6.081 5.996 ( -1.844 -3.252 0.228) 3.746 6.058 ( -1.044 -4.151 3.677) 5.643 6.131 ( -1.269 4.172 4.193) 6.049 6.196 ( 2.431 -2.645 -0.738) 3.667 6.335 ( 0.695 -3.070 -2.567) 4.061 6.428 ( -1.036 4.868 -0.679) 5.023 6.549 ( 0.678 -2.042 -2.740) 3.483 6.892 ( -0.309 -5.748 2.328) 6.209 7.024 ( 2.076 3.645 2.711) 4.995 7.081 ( 0.653 -3.531 -2.755) 4.526 7.205 ( -3.385 -1.616 1.068) 3.900 7.606 ( -1.200 -2.881 -2.568) 4.042 7.684 ( 2.451 1.129 -6.455) 6.997 7.864 ( 3.157 1.502 -0.442) 3.524 7.931 ( -3.203 2.141 -2.402) 4.540 8.241 ( -0.623 2.520 1.652) 3.077 8.361 ( 1.233 -0.104 5.516) 5.653 8.368 ( -0.094 0.452 4.778) 4.800 8.490 ( -0.603 1.710 -1.516) 2.363 8.610 ( -1.954 -3.792 0.682) 4.320 8.635 ( 0.205 0.763 3.668) 3.752 8.679 ( 0.242 2.045 -0.698) 2.174 8.865 ( -0.072 -1.076 -1.091) 1.534 11.938 ( -1.033 -0.424 0.799) 1.373 11.945 ( 0.620 0.215 1.801) 1.917 12.023 ( 0.323 2.148 -1.286) 2.524 12.116 ( 0.064 -2.045 -1.525) 2.552 15.457 ( -0.247 2.106 1.173) 2.423 15.509 ( -0.173 -2.907 2.517) 3.850 15.690 ( 0.148 2.848 -1.673) 3.307 15.743 ( -0.412 -1.244 1.011) 1.655 15.817 ( -0.214 -0.954 1.080) 1.457 15.858 ( -0.095 0.931 1.797) 2.026 16.052 ( 0.248 -0.009 -2.684) 2.695 16.117 ( 1.197 -0.782 -4.671) 4.885 16.328 ( -0.735 1.271 1.178) 1.882 16.412 ( 1.045 2.355 -0.738) 2.680 16.541 ( -1.712 -0.458 3.702) 4.105 16.673 ( 1.591 -6.387 -0.673) 6.616 ======================= Grid point 64 (29/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -3.012 16.943 2.139) 17.341 0.992 ( 7.706 20.601 4.371) 22.425 1.170 ( 0.093 -1.658 -0.455) 1.722 1.349 ( -2.777 2.813 2.831) 4.862 1.608 ( -3.345 13.831 2.340) 14.420 1.656 ( -3.778 6.384 -4.017) 8.435 1.753 ( 7.253 6.792 -4.364) 10.852 1.966 ( 0.530 0.933 -1.325) 1.705 2.036 ( -1.733 6.074 7.509) 9.813 2.148 ( -0.037 -3.815 -1.360) 4.050 2.197 ( 2.214 -1.549 0.115) 2.705 2.306 ( -2.994 -1.740 2.972) 4.564 2.410 ( -1.648 -3.145 0.005) 3.551 2.521 ( 5.557 -0.927 3.049) 6.406 2.558 ( -1.304 -7.397 0.873) 7.562 2.580 ( -2.832 -4.123 -0.482) 5.026 2.610 ( -2.802 -2.014 3.975) 5.263 2.760 ( 4.735 -4.601 -1.274) 6.724 2.872 ( -0.641 -7.794 -3.195) 8.448 3.070 ( -0.689 1.231 3.051) 3.361 3.207 ( -1.430 2.992 1.167) 3.516 3.224 ( -1.262 2.017 2.407) 3.384 3.369 ( 1.199 -1.709 -5.496) 5.879 3.466 ( 0.790 2.977 1.158) 3.291 3.840 ( -1.576 2.972 2.791) 4.371 3.926 ( -2.185 0.267 1.276) 2.544 3.951 ( 4.065 -3.026 3.832) 6.353 4.014 ( 1.012 -1.766 -2.166) 2.972 4.100 ( 1.009 1.018 -4.782) 4.993 4.184 ( 0.023 2.359 1.123) 2.613 4.260 ( -1.788 2.737 -1.492) 3.594 4.304 ( -0.372 -1.548 2.634) 3.078 4.344 ( 0.348 -1.082 -1.299) 1.727 4.492 ( 2.906 2.118 3.140) 4.774 4.513 ( -2.984 0.129 -1.812) 3.494 4.599 ( -1.398 0.319 -7.156) 7.299 4.820 ( -0.497 -4.296 -1.980) 4.757 4.893 ( 1.728 -1.066 -1.311) 2.416 5.073 ( -0.678 2.824 -0.303) 2.920 5.149 ( 1.742 -0.005 -4.208) 4.554 5.204 ( -1.437 1.171 -0.281) 1.875 5.393 ( -0.435 0.069 -1.765) 1.819 5.588 ( -2.222 -0.143 3.543) 4.184 5.710 ( 2.558 1.442 3.654) 4.687 5.884 ( 2.541 0.635 -2.689) 3.754 6.026 ( -1.700 -2.787 0.046) 3.265 6.048 ( -1.950 2.258 2.495) 3.889 6.180 ( 1.413 -4.443 1.481) 4.892 6.243 ( 0.271 1.662 -0.338) 1.717 6.339 ( 1.672 1.819 1.086) 2.699 6.358 ( -0.274 0.195 1.692) 1.725 6.611 ( -0.181 -4.665 -4.143) 6.242 6.986 ( -1.670 -4.288 2.108) 5.061 7.023 ( 2.284 -0.796 2.790) 3.693 7.157 ( 1.885 -3.592 -2.595) 4.816 7.230 ( -2.601 -4.022 -0.716) 4.843 7.636 ( -0.451 -0.140 -4.091) 4.118 7.674 ( 2.139 1.396 -6.301) 6.799 7.817 ( -2.417 1.596 1.009) 3.067 7.929 ( 2.611 -2.020 -0.826) 3.403 8.189 ( -0.389 3.290 3.104) 4.540 8.362 ( 0.316 1.706 3.746) 4.128 8.378 ( 1.291 -0.144 4.143) 4.342 8.425 ( -1.068 3.088 -0.900) 3.389 8.558 ( -4.593 2.196 3.068) 5.944 8.644 ( -1.734 -1.573 2.852) 3.690 8.739 ( 3.166 -2.945 -0.115) 4.325 8.880 ( -0.178 -0.863 -1.760) 1.969 11.907 ( -1.057 1.182 0.244) 1.604 11.975 ( 0.949 -0.361 0.582) 1.171 11.996 ( 0.443 0.418 0.760) 0.974 12.147 ( -0.370 -1.594 -1.702) 2.361 15.402 ( -0.572 2.774 0.997) 3.002 15.586 ( 1.776 -2.168 -1.566) 3.210 15.620 ( -0.605 2.511 1.596) 3.036 15.766 ( -0.242 -1.462 1.689) 2.247 15.817 ( -2.295 -0.351 0.378) 2.352 15.859 ( 0.614 -0.096 2.375) 2.455 16.052 ( 0.227 -0.114 -2.609) 2.621 16.128 ( 1.031 0.370 -6.708) 6.796 16.304 ( 1.211 1.766 0.794) 2.283 16.362 ( -0.004 3.145 -1.088) 3.328 16.573 ( -1.833 -4.451 8.369) 9.655 16.809 ( 0.201 -6.804 -0.553) 6.830 ======================= Grid point 67 (30/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 7.641 -0.000 19.511) 20.954 0.991 ( 15.540 -0.000 9.341) 18.131 1.108 ( -2.736 0.000 -2.045) 3.415 1.301 ( -1.801 0.000 4.960) 5.277 1.487 ( 3.989 -0.000 7.885) 8.837 1.700 ( 15.778 -0.000 6.448) 17.045 1.809 ( 10.949 -0.000 -11.160) 15.634 1.863 ( 4.082 -0.000 0.019) 4.082 1.937 ( 2.176 -0.000 0.302) 2.197 2.066 ( -5.313 0.000 -3.380) 6.297 2.183 ( -7.181 0.000 -1.791) 7.400 2.338 ( -3.480 0.000 2.962) 4.570 2.469 ( -0.980 0.000 -4.627) 4.730 2.562 ( -0.447 0.000 2.922) 2.956 2.632 ( 0.858 -0.000 6.538) 6.594 2.725 ( -1.291 0.000 0.547) 1.402 2.820 ( 2.421 -0.000 3.279) 4.076 3.025 ( 0.386 -0.000 -0.814) 0.901 3.034 ( 0.236 -0.000 -2.255) 2.267 3.089 ( 2.025 -0.000 -2.494) 3.212 3.169 ( 0.737 -0.000 -2.140) 2.263 3.195 ( -1.208 0.000 -1.307) 1.779 3.262 ( -2.419 0.000 -1.809) 3.020 3.422 ( 2.670 -0.000 -12.199) 12.488 3.633 ( -6.176 0.000 6.021) 8.625 3.912 ( -2.489 0.000 3.467) 4.268 3.946 ( 2.208 -0.000 7.110) 7.445 4.038 ( 0.551 -0.000 2.909) 2.960 4.113 ( -3.860 0.000 -3.139) 4.976 4.141 ( -1.240 0.000 1.600) 2.024 4.210 ( 4.386 -0.000 -0.644) 4.433 4.297 ( 1.847 -0.000 -7.065) 7.302 4.373 ( 2.478 -0.000 0.958) 2.657 4.426 ( 1.310 -0.000 0.462) 1.389 4.545 ( -4.100 0.000 -6.103) 7.353 4.672 ( -3.065 0.000 7.773) 8.356 4.700 ( -1.720 0.000 -4.711) 5.015 4.909 ( -1.569 0.000 3.325) 3.676 4.933 ( 2.002 -0.000 -10.136) 10.332 5.225 ( 4.748 -0.000 -0.870) 4.827 5.306 ( 7.760 -0.000 1.112) 7.840 5.427 ( 1.572 -0.000 -3.143) 3.514 5.613 ( -0.045 0.000 5.768) 5.768 5.637 ( -2.009 0.000 3.279) 3.845 5.844 ( -5.303 0.000 -0.462) 5.323 5.974 ( -6.259 0.000 -1.695) 6.484 6.025 ( -4.398 0.000 -6.338) 7.715 6.056 ( 0.659 -0.000 7.224) 7.254 6.142 ( 0.377 -0.000 -1.718) 1.759 6.206 ( -3.476 0.000 0.941) 3.601 6.478 ( -0.590 0.000 4.521) 4.559 6.726 ( -0.736 0.000 -5.510) 5.559 6.860 ( -4.950 0.000 1.427) 5.152 6.923 ( -5.282 0.000 -2.058) 5.669 7.359 ( -3.105 0.000 -0.154) 3.109 7.497 ( 0.060 -0.000 -4.627) 4.627 7.623 ( 9.090 -0.000 -0.620) 9.111 7.639 ( 5.337 -0.000 4.949) 7.279 7.939 ( -1.514 0.000 -2.348) 2.794 8.090 ( -1.000 0.000 3.534) 3.673 8.135 ( 1.291 -0.000 -0.009) 1.291 8.188 ( 0.610 -0.000 -4.230) 4.274 8.345 ( 0.465 -0.000 -1.870) 1.927 8.393 ( -1.000 0.000 4.938) 5.038 8.575 ( -1.739 0.000 6.662) 6.886 8.605 ( 1.749 -0.000 1.439) 2.264 8.843 ( 0.574 -0.000 -2.372) 2.441 8.931 ( 1.741 -0.000 -2.612) 3.139 11.853 ( -0.299 0.000 -0.067) 0.307 11.995 ( 1.103 -0.000 -1.308) 1.711 12.054 ( 0.088 -0.000 2.955) 2.956 12.131 ( -0.807 0.000 -0.958) 1.253 15.365 ( -0.476 0.000 -0.428) 0.640 15.375 ( 0.266 -0.000 1.536) 1.559 15.679 ( -3.434 0.000 3.831) 5.145 15.794 ( -0.234 0.000 -0.596) 0.640 15.824 ( 0.500 -0.000 1.394) 1.481 16.027 ( 1.829 -0.000 -2.171) 2.839 16.085 ( 1.397 -0.000 -2.701) 3.041 16.099 ( 5.115 -0.000 -3.232) 6.051 16.269 ( -0.135 0.000 -1.601) 1.607 16.340 ( 2.458 -0.000 2.029) 3.187 16.552 ( -8.224 0.000 9.115) 12.276 16.725 ( -6.375 0.000 0.072) 6.375 ======================= Grid point 68 (31/72) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 7.454 -5.913 9.157) 13.205 1.075 ( -1.876 -0.741 0.531) 2.086 1.137 ( 9.671 -0.824 5.091) 10.960 1.313 ( 0.778 -1.691 5.472) 5.780 1.564 ( -2.163 -6.731 9.191) 11.595 1.758 ( -2.858 2.354 0.750) 3.778 1.867 ( 5.877 0.633 0.893) 5.978 1.951 ( 1.069 -0.989 -4.417) 4.651 2.025 ( 0.076 -2.134 -2.730) 3.466 2.080 ( 12.680 -5.227 -3.249) 14.094 2.151 ( 2.134 -0.390 -3.265) 3.920 2.297 ( -3.037 0.625 2.446) 3.950 2.432 ( 0.587 2.345 -3.310) 4.099 2.540 ( -3.119 1.402 2.417) 4.187 2.622 ( -1.983 3.004 2.615) 4.449 2.690 ( -0.698 0.788 4.494) 4.616 2.824 ( 2.113 1.557 -1.808) 3.187 2.964 ( -0.557 7.120 -1.403) 7.278 3.015 ( -0.436 1.780 0.991) 2.083 3.088 ( 3.281 0.618 -2.608) 4.236 3.169 ( 2.099 -0.272 -0.235) 2.129 3.208 ( -1.088 -4.193 -2.308) 4.909 3.289 ( -1.461 -3.283 -1.323) 3.829 3.428 ( 0.612 0.342 -6.157) 6.197 3.605 ( -6.335 -2.259 5.662) 8.792 3.869 ( -1.332 1.658 2.929) 3.620 3.964 ( 0.307 2.878 4.815) 5.618 4.014 ( -4.260 1.102 1.267) 4.579 4.093 ( -1.852 -1.812 -0.405) 2.622 4.147 ( -0.222 -1.404 0.519) 1.513 4.264 ( 4.040 -0.887 -1.058) 4.269 4.313 ( 2.673 0.001 -1.582) 3.106 4.413 ( 0.062 0.643 0.885) 1.095 4.429 ( 0.260 0.049 -1.249) 1.276 4.474 ( 0.409 0.208 -2.818) 2.855 4.617 ( 0.328 1.439 1.724) 2.270 4.759 ( -2.476 -3.860 -4.731) 6.589 4.900 ( -1.620 -0.024 3.808) 4.139 4.957 ( 2.630 -1.312 -6.879) 7.481 5.278 ( 4.950 -0.507 0.500) 5.001 5.363 ( 6.662 1.586 0.446) 6.862 5.427 ( 1.581 0.642 -3.502) 3.895 5.596 ( 0.218 -0.045 3.164) 3.172 5.670 ( -4.316 -2.631 0.957) 5.145 5.789 ( -5.503 0.202 -0.557) 5.535 5.881 ( -1.830 1.704 -3.236) 4.089 6.022 ( -4.513 -1.086 -1.338) 4.831 6.053 ( -0.238 -1.304 1.897) 2.314 6.182 ( -1.790 -3.265 2.510) 4.490 6.231 ( -0.277 -3.889 0.610) 3.946 6.450 ( -1.225 1.998 2.026) 3.097 6.628 ( -0.576 5.874 -3.285) 6.755 6.847 ( -3.160 2.953 -1.013) 4.442 6.901 ( -2.829 -5.055 -0.657) 5.830 7.314 ( -0.454 2.372 -0.509) 2.468 7.436 ( -0.082 5.208 -1.424) 5.400 7.626 ( 1.798 4.730 3.520) 6.164 7.730 ( 6.371 -1.706 -3.019) 7.253 7.884 ( -0.259 2.453 -0.956) 2.645 8.069 ( -1.589 0.591 -1.739) 2.428 8.204 ( 2.704 -2.216 -0.733) 3.572 8.223 ( -3.272 -5.966 -0.175) 6.807 8.354 ( 1.012 -0.083 0.680) 1.222 8.393 ( -0.740 -0.396 4.179) 4.263 8.550 ( 0.378 1.756 6.107) 6.366 8.642 ( 1.394 -1.257 1.948) 2.705 8.837 ( 0.239 0.554 -2.451) 2.524 8.914 ( 1.002 2.821 -2.553) 3.934 11.858 ( 0.034 -0.701 0.221) 0.736 12.010 ( 0.446 -0.899 -1.659) 1.939 12.043 ( -0.206 1.263 2.668) 2.959 12.122 ( -0.204 0.506 -0.787) 0.957 15.344 ( -0.194 -0.287 1.280) 1.326 15.460 ( -0.234 -6.016 -0.444) 6.037 15.639 ( -2.399 1.676 3.243) 4.368 15.784 ( 0.214 0.811 -0.667) 1.072 15.830 ( 0.194 0.024 1.965) 1.974 15.993 ( 2.296 3.814 -0.363) 4.467 16.083 ( 1.370 0.878 -2.983) 3.398 16.143 ( 1.526 0.590 -3.430) 3.800 16.287 ( 0.787 -2.560 -0.597) 2.744 16.386 ( 1.757 -1.912 1.394) 2.947 16.491 ( -4.396 0.715 5.913) 7.402 16.657 ( -5.619 1.182 -0.710) 5.786 ======================= Grid point 69 (32/72) ======================= q-point: ( 0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -1.241 -0.636 1.528) 2.069 1.155 ( -0.574 -1.887 -0.394) 2.011 1.350 ( 8.073 -8.789 3.587) 12.461 1.369 ( 1.051 -4.333 3.502) 5.670 1.631 ( -0.428 2.825 2.794) 3.996 1.756 ( -0.495 -5.518 3.157) 6.376 1.874 ( -5.240 1.095 0.578) 5.384 1.955 ( -1.344 -5.511 3.446) 6.637 2.047 ( -2.470 -1.166 1.619) 3.175 2.141 ( 2.365 2.091 -4.802) 5.746 2.238 ( 6.558 -0.777 -1.779) 6.839 2.342 ( 5.305 -1.592 -4.704) 7.267 2.413 ( 2.924 0.634 -1.759) 3.471 2.451 ( -4.032 4.031 -0.203) 5.705 2.527 ( -3.280 3.808 1.276) 5.186 2.636 ( -1.220 6.321 2.086) 6.767 2.773 ( 1.455 9.596 -2.178) 9.947 2.797 ( 0.901 4.204 -5.410) 6.910 3.013 ( -0.919 -2.437 4.626) 5.309 3.166 ( 7.958 -2.385 -1.586) 8.458 3.199 ( -0.620 -0.828 0.823) 1.322 3.304 ( -0.468 -6.023 -2.483) 6.532 3.318 ( 0.710 0.636 1.267) 1.585 3.395 ( -2.587 1.315 0.745) 2.996 3.611 ( -4.891 -3.336 6.191) 8.566 3.857 ( -0.773 -1.845 -0.324) 2.027 3.863 ( -1.742 5.032 1.028) 5.424 3.965 ( -4.398 -0.296 3.383) 5.556 4.139 ( 2.024 -1.923 1.182) 3.032 4.180 ( 0.591 -1.088 -0.213) 1.256 4.276 ( 1.092 0.671 -1.431) 1.921 4.320 ( -1.633 3.102 0.260) 3.515 4.369 ( 0.112 -1.815 -1.733) 2.512 4.447 ( 3.253 -0.146 0.538) 3.300 4.539 ( 0.239 -2.969 -1.933) 3.551 4.603 ( 0.199 0.756 3.312) 3.403 4.783 ( -0.331 -1.125 -6.600) 6.703 4.880 ( -1.517 1.006 2.198) 2.854 5.010 ( 2.987 -2.135 -3.255) 4.907 5.291 ( 0.800 2.986 0.163) 3.096 5.381 ( 5.188 1.783 -0.470) 5.506 5.444 ( 2.167 -0.361 -0.214) 2.207 5.562 ( -5.501 0.213 -0.212) 5.509 5.703 ( -5.423 1.249 -1.678) 5.813 5.737 ( 3.348 -4.932 -0.657) 5.997 5.923 ( 4.109 -2.564 -1.908) 5.206 5.981 ( -4.004 0.181 0.071) 4.008 6.098 ( -1.773 -3.667 -0.158) 4.076 6.217 ( -2.656 -1.698 5.257) 6.130 6.279 ( -0.374 0.217 1.265) 1.337 6.436 ( 0.167 -2.511 -1.880) 3.142 6.538 ( 0.542 3.171 -2.685) 4.191 6.780 ( -1.288 1.383 0.746) 2.032 6.957 ( -1.636 -3.462 -1.995) 4.318 7.265 ( 1.809 3.715 0.595) 4.174 7.306 ( -0.736 8.004 1.537) 8.184 7.558 ( -1.419 1.892 0.883) 2.525 7.750 ( 1.851 2.233 -4.468) 5.327 7.889 ( 4.427 -0.314 -2.553) 5.120 8.024 ( -1.742 2.319 -3.742) 4.734 8.244 ( -1.968 -2.334 1.713) 3.501 8.320 ( -0.582 -3.891 0.549) 3.973 8.375 ( -0.001 -2.297 1.247) 2.614 8.405 ( -0.226 -0.887 5.193) 5.273 8.537 ( 1.064 1.123 4.931) 5.168 8.671 ( 1.390 0.056 1.568) 2.096 8.829 ( -0.349 -0.226 -1.976) 2.020 8.844 ( 0.182 4.677 -1.968) 5.078 11.879 ( 0.290 -1.288 0.626) 1.461 12.006 ( -0.714 1.478 1.377) 2.143 12.040 ( -0.178 -1.307 -1.300) 1.852 12.104 ( 0.653 1.468 -0.616) 1.721 15.371 ( 0.006 -2.384 1.962) 3.088 15.559 ( -1.346 -2.367 -1.684) 3.201 15.601 ( -0.192 -1.373 2.999) 3.304 15.769 ( 0.811 1.205 -0.774) 1.645 15.827 ( -0.440 0.603 2.487) 2.597 15.940 ( 0.788 3.356 0.582) 3.496 16.070 ( 0.847 1.040 -2.991) 3.278 16.120 ( 0.284 1.318 -3.048) 3.333 16.339 ( -0.649 -1.384 0.532) 1.618 16.446 ( 1.175 -3.678 1.903) 4.305 16.470 ( 0.613 0.343 0.913) 1.152 16.587 ( -3.864 1.273 -0.291) 4.078 ======================= Grid point 70 (33/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.189 -1.285 2.040) 2.419 1.170 ( -0.530 -0.472 -0.871) 1.124 1.409 ( -1.100 -2.064 2.365) 3.326 1.578 ( 3.337 1.137 -1.927) 4.018 1.597 ( -4.084 -2.202 3.991) 6.120 1.758 ( -0.415 -2.911 -0.648) 3.011 1.865 ( 2.252 -0.948 -2.887) 3.782 1.990 ( -2.194 -1.993 -1.926) 3.535 2.118 ( 2.943 1.935 -1.730) 3.924 2.187 ( 1.749 -3.787 1.107) 4.316 2.226 ( -4.195 3.711 2.092) 5.978 2.268 ( -1.779 1.159 -2.186) 3.047 2.400 ( 5.150 5.554 -3.019) 8.154 2.437 ( -2.291 -0.617 1.385) 2.747 2.474 ( -4.309 1.111 0.742) 4.512 2.486 ( 2.598 2.290 1.376) 3.726 2.626 ( 2.515 5.915 -0.539) 6.450 2.756 ( 1.516 1.141 -6.836) 7.095 3.004 ( -0.510 8.449 3.414) 9.127 3.174 ( -0.980 -0.784 2.247) 2.573 3.209 ( 1.537 3.771 2.102) 4.583 3.304 ( 0.515 -0.162 3.429) 3.471 3.333 ( -1.751 1.184 4.887) 5.325 3.433 ( -1.011 -5.332 -2.114) 5.824 3.675 ( -2.344 -6.241 4.980) 8.321 3.830 ( 0.727 -2.167 0.090) 2.287 3.921 ( 1.206 -4.022 -1.407) 4.429 3.950 ( -1.903 -0.582 3.354) 3.900 4.154 ( 0.315 1.539 -1.482) 2.160 4.192 ( 1.404 1.115 -0.793) 1.960 4.263 ( -1.081 -1.398 0.610) 1.869 4.299 ( 0.008 -0.625 -0.865) 1.067 4.400 ( 0.815 -0.257 -1.768) 1.964 4.447 ( 0.512 1.939 0.943) 2.216 4.563 ( -2.061 -1.117 -1.623) 2.851 4.620 ( 0.531 -1.872 2.822) 3.428 4.775 ( 2.379 2.158 -6.178) 6.963 4.854 ( -1.300 0.111 0.265) 1.331 5.073 ( 2.747 -1.760 -1.688) 3.674 5.213 ( -1.698 3.814 -0.440) 4.198 5.351 ( -0.615 3.927 -0.338) 3.989 5.434 ( 0.052 1.857 -0.566) 1.942 5.557 ( -0.029 -1.383 0.681) 1.542 5.681 ( -0.487 -2.347 -0.827) 2.536 5.883 ( 3.677 -6.145 0.122) 7.163 5.931 ( -0.698 1.089 -3.321) 3.564 6.003 ( -0.074 -1.973 0.857) 2.153 6.151 ( -1.770 -3.120 2.665) 4.468 6.183 ( -2.357 2.240 4.977) 5.945 6.283 ( 1.523 -1.506 -3.396) 4.015 6.486 ( 0.967 1.434 -2.236) 2.827 6.514 ( 0.071 -2.301 -2.202) 3.186 6.794 ( -0.087 -3.507 2.251) 4.168 7.008 ( -0.255 -3.323 -2.637) 4.250 7.153 ( -1.068 6.920 2.877) 7.570 7.209 ( 1.227 3.671 1.566) 4.175 7.548 ( -0.714 -1.718 -1.566) 2.431 7.719 ( 1.350 1.586 -5.416) 5.803 7.924 ( 3.011 1.395 -2.112) 3.933 7.945 ( -2.124 2.391 -3.516) 4.753 8.257 ( -1.429 -0.472 1.142) 1.889 8.349 ( -0.597 -0.633 5.178) 5.251 8.396 ( 0.085 0.215 3.273) 3.281 8.469 ( -0.931 -3.940 1.209) 4.225 8.541 ( 0.100 -0.668 1.891) 2.008 8.665 ( 0.029 1.792 1.826) 2.558 8.757 ( 1.863 4.373 -0.381) 4.768 8.836 ( -1.067 -1.262 -1.692) 2.365 11.910 ( 0.189 -1.540 1.100) 1.902 11.971 ( -0.549 1.603 1.523) 2.278 12.053 ( -0.507 -0.006 -2.079) 2.140 12.088 ( 0.897 0.219 -0.714) 1.167 15.432 ( 0.626 -3.443 2.378) 4.231 15.518 ( -1.172 2.614 1.376) 3.178 15.683 ( 0.372 -3.862 -0.684) 3.940 15.749 ( 0.739 1.720 -0.657) 1.984 15.810 ( -0.957 0.608 2.338) 2.598 15.888 ( -0.547 2.233 0.890) 2.466 16.056 ( 0.383 0.597 -2.806) 2.894 16.107 ( 0.366 -0.130 -3.439) 3.461 16.338 ( -0.447 0.166 1.498) 1.572 16.465 ( 1.119 1.441 -0.947) 2.056 16.524 ( -0.436 -0.007 1.805) 1.857 16.569 ( -0.369 -4.836 0.009) 4.850 ======================= Grid point 71 (34/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.066 0.522 -0.458) 0.698 1.148 ( 1.475 3.443 -0.212) 3.752 1.383 ( -0.322 14.533 2.878) 14.818 1.391 ( -1.539 3.467 5.938) 7.046 1.634 ( -4.290 -3.103 -2.816) 5.997 1.801 ( -0.883 5.811 -4.140) 7.190 1.901 ( 8.939 2.083 -5.118) 10.509 1.993 ( 2.403 0.021 -5.104) 5.642 2.060 ( -3.019 -2.059 0.251) 3.663 2.114 ( -2.290 5.209 -4.331) 7.151 2.216 ( 5.944 -0.752 -1.290) 6.128 2.331 ( -2.598 -5.208 0.790) 5.874 2.362 ( -5.315 3.018 2.661) 6.666 2.424 ( 1.857 -0.992 3.266) 3.885 2.456 ( -0.312 -4.247 0.992) 4.373 2.522 ( -0.773 -0.718 5.097) 5.206 2.618 ( 0.991 -0.988 1.498) 2.050 2.752 ( 2.707 0.102 -4.015) 4.844 2.827 ( 4.208 5.667 3.526) 7.891 3.122 ( 0.531 3.781 2.687) 4.669 3.232 ( -4.943 3.338 7.202) 9.352 3.245 ( 0.734 -2.059 0.331) 2.211 3.344 ( 0.350 -0.304 -0.034) 0.465 3.482 ( -1.554 -1.657 0.810) 2.412 3.784 ( -4.005 -6.576 3.026) 8.273 3.883 ( -0.045 -0.911 1.748) 1.972 3.965 ( 0.191 -1.895 -0.689) 2.026 3.990 ( 2.849 -1.026 0.765) 3.123 4.132 ( 1.592 0.925 -1.929) 2.667 4.179 ( -0.673 -0.005 -0.967) 1.178 4.272 ( -1.996 -0.087 -0.909) 2.195 4.319 ( 2.027 -0.433 -0.289) 2.092 4.358 ( 0.409 3.881 -1.272) 4.105 4.441 ( -3.103 -2.218 2.125) 4.366 4.546 ( -0.678 1.482 -3.070) 3.476 4.645 ( 0.979 1.899 0.349) 2.165 4.761 ( 2.819 -0.689 -6.218) 6.862 4.866 ( -0.329 -2.164 0.025) 2.189 5.093 ( -1.471 0.915 -1.641) 2.386 5.160 ( 1.550 0.656 -0.872) 1.896 5.261 ( -1.258 3.831 0.010) 4.033 5.402 ( 0.516 1.395 -1.482) 2.100 5.577 ( 0.136 -0.294 1.842) 1.871 5.740 ( 2.401 -1.818 1.837) 3.528 5.896 ( -2.821 -0.133 -2.732) 3.929 5.976 ( -0.207 0.172 -2.066) 2.084 6.040 ( -0.699 -2.257 2.158) 3.199 6.133 ( -0.296 -1.483 6.781) 6.948 6.224 ( 1.402 -2.400 -0.340) 2.800 6.321 ( -1.566 -2.248 -2.944) 4.022 6.435 ( 1.729 4.279 -1.067) 4.737 6.552 ( 0.283 -1.714 -2.538) 3.076 6.883 ( -1.312 -4.145 2.383) 4.958 7.035 ( -0.662 -0.914 1.985) 2.284 7.101 ( -0.305 -2.136 -1.495) 2.625 7.179 ( 1.890 0.405 0.589) 2.021 7.591 ( 0.674 -2.835 -3.757) 4.755 7.699 ( 0.540 1.107 -5.443) 5.581 7.842 ( -3.224 2.797 -0.948) 4.372 7.953 ( 4.015 0.633 -1.437) 4.311 8.242 ( 0.342 1.631 2.580) 3.071 8.357 ( -1.746 -0.645 4.737) 5.090 8.396 ( 0.052 0.127 2.684) 2.687 8.473 ( -0.727 1.827 0.909) 2.166 8.583 ( -0.679 -3.118 0.175) 3.195 8.597 ( -2.307 4.200 1.358) 4.981 8.747 ( 4.058 0.219 1.956) 4.510 8.849 ( -1.219 -1.531 -1.865) 2.703 11.919 ( -1.020 0.841 0.592) 1.448 11.964 ( 0.646 -1.023 2.033) 2.366 12.031 ( 0.906 1.799 -0.909) 2.210 12.107 ( -0.471 -1.699 -1.928) 2.613 15.453 ( -0.655 3.033 1.335) 3.378 15.520 ( 0.659 -4.340 2.475) 5.039 15.692 ( 0.426 3.595 -1.336) 3.859 15.748 ( 0.730 -1.541 0.335) 1.737 15.793 ( -2.146 0.098 0.835) 2.305 15.863 ( -0.087 0.144 2.152) 2.159 16.049 ( 0.288 0.059 -2.713) 2.729 16.116 ( 0.131 -0.876 -4.250) 4.341 16.342 ( 1.729 0.338 0.967) 2.009 16.428 ( 0.775 3.235 -2.039) 3.902 16.510 ( -2.425 -0.882 4.667) 5.332 16.681 ( -0.557 -6.175 -0.409) 6.214 ======================= Grid point 75 (35/72) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.852 0.000 -0.671) 1.084 1.080 ( 7.498 -0.000 6.593) 9.985 1.269 ( 10.018 -0.000 4.756) 11.090 1.272 ( -2.800 0.000 12.988) 13.286 1.424 ( -7.504 0.000 9.833) 12.369 1.784 ( -5.183 0.000 -0.070) 5.184 1.945 ( 5.856 -0.000 -1.202) 5.978 1.958 ( -0.474 0.000 -3.587) 3.618 1.972 ( -2.898 0.000 -7.997) 8.506 2.159 ( 15.241 -0.000 -3.482) 15.634 2.189 ( 11.022 -0.000 1.514) 11.125 2.296 ( -1.089 0.000 1.023) 1.494 2.434 ( -2.245 0.000 -2.471) 3.339 2.518 ( -5.491 0.000 2.857) 6.190 2.635 ( -4.402 0.000 0.026) 4.402 2.678 ( -1.960 0.000 9.328) 9.532 2.823 ( -2.147 0.000 -0.008) 2.147 3.024 ( 0.047 -0.000 -3.259) 3.259 3.041 ( -0.078 0.000 0.254) 0.265 3.088 ( -2.389 0.000 -9.608) 9.900 3.128 ( 0.712 -0.000 -1.175) 1.374 3.182 ( 0.608 -0.000 -0.991) 1.162 3.285 ( 3.353 -0.000 2.331) 4.083 3.434 ( 1.365 -0.000 -7.996) 8.112 3.542 ( -4.750 0.000 7.250) 8.668 3.877 ( -2.463 0.000 3.441) 4.232 3.974 ( -7.312 0.000 -4.700) 8.692 4.031 ( 4.599 -0.000 6.211) 7.729 4.062 ( 0.822 -0.000 3.491) 3.587 4.134 ( -0.366 0.000 4.989) 5.003 4.277 ( 1.217 -0.000 -1.686) 2.079 4.348 ( 3.959 -0.000 -5.317) 6.629 4.415 ( 2.137 -0.000 -1.185) 2.444 4.445 ( 0.230 -0.000 2.908) 2.917 4.461 ( -2.331 0.000 -4.750) 5.291 4.654 ( -1.658 0.000 5.230) 5.486 4.673 ( 0.680 -0.000 -5.011) 5.057 4.890 ( -1.253 0.000 3.295) 3.525 4.971 ( 4.336 -0.000 -6.976) 8.214 5.316 ( 4.511 -0.000 1.649) 4.803 5.439 ( 0.581 -0.000 -3.313) 3.363 5.443 ( 5.049 -0.000 -0.080) 5.050 5.571 ( -4.428 0.000 -0.042) 4.428 5.636 ( 1.270 -0.000 -1.005) 1.620 5.733 ( -6.100 0.000 1.273) 6.232 5.880 ( -2.775 0.000 -0.483) 2.817 5.948 ( -0.618 0.000 -4.171) 4.217 6.075 ( -0.517 0.000 7.406) 7.424 6.138 ( -0.454 0.000 0.466) 0.651 6.185 ( 0.097 -0.000 -1.985) 1.988 6.454 ( -2.545 0.000 1.589) 3.001 6.708 ( 0.484 -0.000 -4.978) 5.002 6.803 ( -1.791 0.000 1.781) 2.526 6.850 ( -2.031 0.000 -1.804) 2.717 7.319 ( -1.150 0.000 -0.309) 1.190 7.480 ( -0.385 0.000 -4.822) 4.837 7.727 ( 2.374 -0.000 4.423) 5.020 7.778 ( 7.720 -0.000 -1.437) 7.852 7.884 ( -3.331 0.000 1.078) 3.501 7.995 ( -8.136 0.000 2.339) 8.465 8.178 ( 2.210 -0.000 -2.775) 3.548 8.214 ( 3.419 -0.000 -5.321) 6.324 8.361 ( 0.813 -0.000 1.854) 2.025 8.387 ( -0.866 0.000 4.800) 4.878 8.574 ( -0.544 0.000 7.828) 7.847 8.642 ( 1.264 -0.000 1.296) 1.811 8.840 ( -0.028 0.000 -3.329) 3.329 8.949 ( 0.929 -0.000 -3.001) 3.142 11.854 ( 0.376 -0.000 0.495) 0.621 12.000 ( -0.128 0.000 -2.206) 2.210 12.056 ( -0.608 0.000 2.423) 2.498 12.126 ( 0.404 -0.000 -0.027) 0.405 15.363 ( 0.352 -0.000 0.370) 0.511 15.379 ( -0.322 0.000 1.348) 1.386 15.638 ( -1.907 0.000 3.145) 3.678 15.790 ( -0.025 0.000 -0.520) 0.521 15.836 ( 0.230 -0.000 1.873) 1.887 16.048 ( 0.932 -0.000 -2.270) 2.454 16.101 ( 1.030 -0.000 -2.922) 3.098 16.165 ( 2.772 -0.000 -2.831) 3.962 16.274 ( 1.304 -0.000 0.153) 1.313 16.377 ( 0.320 -0.000 1.981) 2.006 16.456 ( -4.759 0.000 5.616) 7.361 16.626 ( -3.032 0.000 -1.379) 3.331 ======================= Grid point 76 (36/72) ======================= q-point: (-0.43 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.277 -0.111 0.454) 0.543 1.132 ( -0.513 0.122 -1.759) 1.836 1.272 ( 3.702 -3.928 11.723) 12.906 1.359 ( 0.740 -0.339 1.317) 1.549 1.508 ( -10.147 -10.355 14.193) 20.289 1.698 ( 1.328 2.237 5.821) 6.376 1.878 ( -4.185 2.643 -6.121) 7.872 1.960 ( 3.326 1.146 -4.402) 5.635 2.002 ( 0.411 -2.018 -1.254) 2.411 2.218 ( 0.983 4.103 -1.289) 4.412 2.304 ( 8.390 -0.574 -1.209) 8.496 2.325 ( 3.467 -3.630 -2.273) 5.510 2.421 ( -2.450 0.261 -0.887) 2.618 2.453 ( -4.218 0.153 0.124) 4.222 2.561 ( -2.319 2.463 0.307) 3.397 2.685 ( -1.425 0.386 6.926) 7.082 2.835 ( -0.370 -0.896 -2.884) 3.043 2.946 ( -0.533 7.164 -3.004) 7.786 3.004 ( -1.094 1.634 2.285) 3.015 3.110 ( -2.491 -4.549 -6.559) 8.361 3.166 ( 3.432 -2.260 -1.367) 4.330 3.189 ( -0.567 -1.785 -0.628) 1.975 3.346 ( 5.156 -1.457 0.235) 5.363 3.412 ( -0.983 2.085 -3.832) 4.472 3.535 ( -2.240 -1.816 7.661) 8.185 3.830 ( -3.287 1.299 0.388) 3.555 3.924 ( -3.800 -0.663 1.021) 3.991 4.002 ( 1.996 6.695 0.970) 7.053 4.107 ( 1.797 -2.742 4.293) 5.401 4.156 ( 0.561 -1.756 2.999) 3.521 4.286 ( -1.904 -0.716 -3.363) 3.930 4.337 ( -1.048 2.960 -1.858) 3.649 4.389 ( 2.170 0.978 -0.352) 2.407 4.465 ( 2.601 -1.019 1.582) 3.210 4.501 ( 1.203 -1.869 -1.631) 2.757 4.637 ( 1.023 0.931 3.329) 3.605 4.711 ( -0.987 -3.395 -4.966) 6.096 4.881 ( -1.478 0.214 1.930) 2.441 5.011 ( 4.304 -0.770 -4.312) 6.140 5.345 ( 0.933 1.683 0.480) 1.983 5.425 ( -1.400 0.672 -1.143) 1.929 5.452 ( -0.739 -0.340 0.421) 0.916 5.544 ( 2.294 1.060 -0.619) 2.602 5.629 ( -6.840 -0.366 -5.423) 8.736 5.730 ( 4.458 -2.398 1.744) 5.354 5.892 ( 0.271 -2.409 0.838) 2.565 5.964 ( 1.538 -0.561 -3.765) 4.106 6.053 ( -0.865 0.687 3.649) 3.813 6.166 ( -0.407 -2.232 3.234) 3.950 6.229 ( -0.391 -3.941 -0.460) 3.987 6.419 ( -2.086 0.894 -0.059) 2.270 6.629 ( 1.359 5.433 -2.253) 6.037 6.812 ( -0.342 2.307 -0.708) 2.437 6.868 ( -0.515 -4.696 -1.180) 4.869 7.314 ( 0.755 0.309 -0.117) 0.825 7.421 ( -0.774 4.867 -2.737) 5.637 7.642 ( -1.608 7.026 3.377) 7.959 7.801 ( 0.886 2.497 -2.464) 3.618 7.898 ( 3.003 -2.181 -1.228) 3.909 7.995 ( -5.455 -3.604 0.231) 6.542 8.192 ( 0.408 -0.731 -3.764) 3.855 8.248 ( 2.162 -1.647 -0.576) 2.778 8.371 ( -0.286 -0.056 3.651) 3.663 8.399 ( 0.619 -0.956 3.959) 4.120 8.569 ( -0.265 1.005 6.762) 6.841 8.667 ( 0.410 -1.359 1.936) 2.400 8.827 ( -0.363 0.652 -3.474) 3.553 8.921 ( 0.424 3.101 -2.768) 4.178 11.866 ( 0.622 -0.664 0.806) 1.215 12.000 ( -0.742 -0.628 -2.437) 2.624 12.040 ( -0.800 1.045 2.072) 2.454 12.129 ( 0.924 0.459 0.062) 1.034 15.349 ( 0.315 -0.287 1.838) 1.887 15.454 ( -0.169 -5.542 -0.617) 5.579 15.617 ( -0.917 1.181 3.127) 3.466 15.787 ( 0.321 0.289 -0.657) 0.786 15.836 ( -0.196 0.374 2.196) 2.236 16.013 ( 0.101 3.590 -1.020) 3.733 16.094 ( 0.599 1.034 -2.873) 3.111 16.152 ( 0.458 2.107 -3.778) 4.350 16.313 ( 1.529 -1.507 1.966) 2.911 16.394 ( -1.176 -2.215 2.933) 3.859 16.446 ( -2.327 -2.029 1.488) 3.427 16.599 ( 0.552 1.512 -0.999) 1.894 ======================= Grid point 77 (37/72) ======================= q-point: (-0.29 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.369 -1.089 1.778) 2.117 1.126 ( -2.591 -1.988 -0.671) 3.334 1.335 ( -7.855 -3.058 -1.355) 8.537 1.414 ( -3.270 -5.975 1.998) 7.098 1.557 ( 0.672 -5.381 9.976) 11.355 1.762 ( -4.989 2.119 -1.290) 5.572 1.858 ( 2.297 -6.746 5.158) 8.797 1.962 ( 4.581 1.833 -3.915) 6.299 2.053 ( 0.706 -3.699 5.189) 6.411 2.171 ( 1.795 1.005 -4.143) 4.625 2.296 ( -3.661 3.163 -2.334) 5.372 2.330 ( 0.093 4.299 -1.212) 4.468 2.395 ( -3.915 -1.766 -1.144) 4.445 2.481 ( 3.215 -1.294 0.846) 3.567 2.512 ( 3.143 3.943 -1.413) 5.237 2.604 ( -1.986 6.762 1.336) 7.173 2.779 ( -0.489 8.082 -2.050) 8.352 2.797 ( 0.087 3.369 -4.130) 5.330 3.031 ( 1.213 -2.923 4.673) 5.644 3.141 ( -4.734 -3.314 -3.037) 6.528 3.205 ( -6.517 -1.989 0.234) 6.818 3.286 ( 3.869 -4.757 -0.049) 6.132 3.357 ( -0.935 1.479 1.428) 2.259 3.378 ( 2.393 2.731 -1.124) 3.801 3.590 ( 1.861 -3.088 6.090) 7.077 3.813 ( -0.134 -0.809 0.418) 0.921 3.901 ( -0.297 0.208 0.631) 0.728 3.931 ( 2.050 1.317 1.298) 2.761 4.171 ( 0.547 -0.587 0.231) 0.836 4.186 ( -1.229 -1.914 2.197) 3.162 4.254 ( -1.905 1.325 -2.233) 3.221 4.291 ( 1.201 -0.025 -0.957) 1.536 4.413 ( 2.357 -0.025 0.408) 2.393 4.497 ( -0.622 0.668 1.924) 2.130 4.503 ( -0.507 0.038 -3.868) 3.901 4.644 ( 3.188 0.613 6.178) 6.979 4.761 ( -0.937 -2.850 -4.752) 5.620 4.863 ( -0.319 0.719 -2.010) 2.159 5.067 ( 3.403 -1.583 -1.508) 4.045 5.267 ( -2.778 4.228 -1.475) 5.270 5.355 ( -6.850 1.031 -0.442) 6.942 5.479 ( 1.703 1.305 1.555) 2.650 5.564 ( 1.903 -0.159 -1.391) 2.363 5.603 ( -0.011 -3.294 -2.567) 4.176 5.828 ( 1.492 -2.864 -0.046) 3.230 5.929 ( 1.932 -1.235 -0.375) 2.323 5.995 ( 3.788 -0.635 -2.286) 4.470 6.071 ( -1.508 -2.942 1.904) 3.815 6.190 ( -1.624 0.186 3.825) 4.160 6.279 ( 0.466 -1.356 0.500) 1.518 6.426 ( -0.672 -3.752 -1.772) 4.204 6.556 ( 2.017 3.774 -2.041) 4.741 6.778 ( 0.797 0.929 1.264) 1.760 6.942 ( 0.703 -3.574 -2.477) 4.405 7.269 ( -1.783 6.753 1.116) 7.073 7.319 ( 1.882 4.378 1.161) 4.905 7.537 ( -0.891 1.707 -0.001) 1.925 7.751 ( -0.420 1.990 -3.936) 4.430 7.956 ( 0.003 0.585 -2.079) 2.160 7.962 ( -0.720 0.700 -3.627) 3.763 8.214 ( -0.939 -2.113 -0.298) 2.331 8.310 ( -0.679 -3.226 0.852) 3.405 8.373 ( -1.009 -0.728 3.242) 3.473 8.437 ( 2.230 -1.198 5.551) 6.101 8.550 ( -1.027 1.133 4.257) 4.524 8.690 ( 0.090 -0.047 2.146) 2.149 8.805 ( -1.429 0.088 -3.311) 3.607 8.853 ( 1.215 4.027 -1.522) 4.473 11.891 ( 0.663 -1.137 1.152) 1.749 11.991 ( -0.964 0.857 0.133) 1.296 12.026 ( -0.871 -0.654 -0.930) 1.432 12.122 ( 1.160 1.321 -0.254) 1.776 15.385 ( 0.656 -2.520 2.488) 3.601 15.537 ( -0.421 -1.388 -1.489) 2.079 15.611 ( 0.329 -2.373 2.410) 3.398 15.782 ( 0.812 0.869 -0.763) 1.413 15.821 ( -0.844 0.998 2.491) 2.813 15.932 ( -1.611 3.621 0.251) 3.972 16.072 ( 0.205 1.121 -2.732) 2.960 16.117 ( 0.281 1.275 -3.467) 3.705 16.331 ( -0.553 -0.481 1.515) 1.683 16.446 ( -1.669 -2.087 2.112) 3.406 16.484 ( 0.305 -3.880 -0.170) 3.896 16.578 ( 3.357 2.634 -0.098) 4.269 ======================= Grid point 78 (38/72) ======================= q-point: (-0.14 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.438 -0.609 1.435) 1.619 1.163 ( 0.027 -2.717 -1.554) 3.130 1.380 ( -4.624 -7.210 1.300) 8.664 1.453 ( -5.721 -3.014 3.328) 7.272 1.614 ( 0.731 6.540 -1.863) 6.839 1.759 ( 1.319 -7.180 1.432) 7.440 1.940 ( -2.581 -2.933 -1.097) 4.058 1.992 ( 6.840 0.608 -3.049) 7.513 2.127 ( 0.265 7.648 -5.771) 9.585 2.171 ( -2.632 -6.671 4.907) 8.689 2.207 ( -0.660 -0.289 -4.929) 4.981 2.241 ( 1.290 3.468 -2.182) 4.296 2.366 ( -4.006 1.196 0.634) 4.228 2.421 ( -0.809 4.627 2.807) 5.472 2.481 ( 2.497 4.495 1.604) 5.386 2.550 ( 1.881 -0.908 4.270) 4.754 2.656 ( 0.051 4.233 -0.694) 4.290 2.759 ( 0.682 0.587 -6.135) 6.201 3.039 ( 2.449 6.248 0.807) 6.759 3.149 ( -2.797 -3.235 -0.324) 4.289 3.192 ( -4.504 -2.610 3.058) 6.037 3.282 ( -0.998 5.367 6.163) 8.234 3.329 ( -0.885 0.180 1.099) 1.423 3.402 ( -0.781 -3.539 2.270) 4.277 3.670 ( 1.282 -2.705 4.385) 5.309 3.853 ( 1.082 -2.269 0.827) 2.646 3.935 ( 0.102 -1.700 0.139) 1.708 3.971 ( 2.999 -2.808 -0.688) 4.165 4.151 ( 0.804 1.246 -1.322) 1.987 4.192 ( -3.649 -0.200 -0.811) 3.744 4.241 ( 1.317 -0.139 0.251) 1.348 4.324 ( 1.590 -1.114 0.028) 1.942 4.410 ( -1.184 0.766 1.189) 1.844 4.447 ( 0.974 4.350 -0.739) 4.519 4.513 ( -0.933 -2.926 -4.033) 5.069 4.677 ( 2.542 0.285 5.274) 5.861 4.786 ( 0.175 -0.775 -4.018) 4.096 4.839 ( 0.243 0.967 -3.608) 3.744 5.103 ( 0.457 0.909 -1.109) 1.505 5.179 ( -1.294 1.208 -1.416) 2.267 5.282 ( -4.167 1.124 1.197) 4.479 5.444 ( 0.221 2.100 -1.355) 2.509 5.587 ( 1.929 -0.103 0.375) 1.968 5.694 ( 1.970 -4.217 0.113) 4.656 5.837 ( -4.022 -0.928 -2.305) 4.727 6.011 ( 3.345 1.082 -3.506) 4.965 6.016 ( 3.651 -1.916 2.408) 4.775 6.103 ( -3.493 -0.759 6.401) 7.331 6.174 ( -0.536 -2.594 -0.120) 2.651 6.303 ( 1.447 0.453 -2.066) 2.562 6.499 ( -0.951 -3.980 -1.618) 4.400 6.511 ( 1.852 2.838 -2.324) 4.109 6.816 ( 1.798 -3.251 2.833) 4.672 7.003 ( 0.216 -1.973 -2.599) 3.271 7.116 ( -2.418 5.562 1.543) 6.258 7.251 ( 1.424 4.133 2.653) 5.113 7.555 ( 2.324 -1.833 -3.705) 4.742 7.714 ( -0.564 1.088 -3.960) 4.145 7.861 ( -3.475 3.082 -1.861) 5.004 7.989 ( 2.237 -0.071 -2.708) 3.513 8.246 ( -0.180 -1.667 1.521) 2.263 8.335 ( -1.707 -0.791 4.946) 5.291 8.381 ( -1.616 -0.765 -0.129) 1.792 8.492 ( 1.454 0.083 5.861) 6.040 8.532 ( -0.494 -1.477 0.087) 1.560 8.659 ( -0.768 3.269 1.630) 3.733 8.798 ( -2.370 -1.538 -2.364) 3.684 8.811 ( 3.005 2.206 0.370) 3.746 11.917 ( 0.216 -0.666 1.396) 1.562 11.965 ( -0.501 0.754 1.223) 1.521 12.039 ( -0.511 -1.351 -1.958) 2.433 12.102 ( 0.817 1.517 -0.838) 1.916 15.453 ( 0.568 -3.672 2.576) 4.521 15.505 ( -0.385 2.798 1.025) 3.004 15.692 ( 0.597 -3.922 -0.874) 4.062 15.761 ( 0.727 2.283 -1.165) 2.664 15.792 ( -1.405 1.113 2.497) 3.074 15.872 ( -1.141 1.192 1.637) 2.324 16.054 ( 0.287 0.601 -2.818) 2.896 16.103 ( 0.260 0.022 -3.191) 3.202 16.346 ( 0.602 -1.063 1.104) 1.646 16.443 ( -2.469 -0.209 -0.625) 2.555 16.537 ( 0.969 1.726 1.937) 2.770 16.587 ( 1.975 -2.777 -0.255) 3.417 ======================= Grid point 83 (39/72) ======================= q-point: (-0.43 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 1.173 -0.000 0.010) 1.173 1.111 ( -6.246 0.000 1.399) 6.400 1.306 ( -8.627 0.000 5.829) 10.411 1.311 ( 0.641 -0.000 22.880) 22.889 1.356 ( 0.768 -0.000 2.068) 2.207 1.764 ( 4.334 -0.000 0.484) 4.361 1.881 ( -5.356 0.000 -4.025) 6.700 1.915 ( -1.049 0.000 -8.571) 8.635 2.005 ( -3.571 0.000 2.168) 4.177 2.184 ( -10.301 0.000 0.121) 10.302 2.279 ( 0.473 -0.000 -0.042) 0.474 2.373 ( -9.859 0.000 0.891) 9.900 2.411 ( 9.684 -0.000 -0.194) 9.686 2.446 ( 5.324 -0.000 -2.883) 6.055 2.582 ( 1.094 -0.000 0.953) 1.451 2.696 ( 0.344 -0.000 6.898) 6.906 2.776 ( -1.844 0.000 -1.251) 2.228 3.002 ( -1.051 0.000 -3.750) 3.895 3.043 ( 0.287 -0.000 1.180) 1.214 3.045 ( 0.165 -0.000 -7.317) 7.319 3.158 ( 1.541 -0.000 0.281) 1.566 3.203 ( 1.621 -0.000 -2.137) 2.682 3.363 ( 4.164 -0.000 0.712) 4.225 3.427 ( 0.029 -0.000 -7.355) 7.355 3.522 ( 0.987 -0.000 7.714) 7.777 3.836 ( -2.780 0.000 2.860) 3.988 3.854 ( -4.088 0.000 -2.258) 4.670 4.072 ( -0.606 0.000 1.878) 1.974 4.131 ( 3.872 -0.000 2.116) 4.413 4.151 ( 0.588 -0.000 7.133) 7.157 4.225 ( -4.878 0.000 -4.641) 6.733 4.380 ( 1.043 -0.000 -2.875) 3.059 4.432 ( -1.162 0.000 2.128) 2.425 4.464 ( 3.160 -0.000 -4.394) 5.412 4.479 ( 3.823 -0.000 1.089) 3.975 4.614 ( -3.717 0.000 3.626) 5.193 4.710 ( 4.182 -0.000 -3.703) 5.585 4.867 ( -2.555 0.000 1.634) 3.033 5.039 ( 4.082 -0.000 -4.334) 5.953 5.365 ( -0.961 0.000 -0.256) 0.994 5.392 ( -5.779 0.000 -1.860) 6.071 5.449 ( 2.086 -0.000 3.095) 3.733 5.567 ( -5.631 0.000 -4.759) 7.373 5.592 ( 3.260 -0.000 0.798) 3.357 5.721 ( 2.397 -0.000 -1.472) 2.813 5.889 ( 3.671 -0.000 2.643) 4.523 5.983 ( 4.148 -0.000 -3.897) 5.692 6.080 ( -0.712 0.000 5.936) 5.978 6.140 ( 0.534 -0.000 0.567) 0.779 6.181 ( 0.602 -0.000 -1.301) 1.433 6.406 ( -2.665 0.000 0.236) 2.676 6.719 ( 1.952 -0.000 -4.434) 4.845 6.798 ( 0.860 -0.000 1.328) 1.582 6.840 ( 1.360 -0.000 -1.361) 1.924 7.316 ( 0.929 -0.000 -0.389) 1.007 7.458 ( -0.848 0.000 -4.845) 4.919 7.712 ( -4.570 0.000 2.543) 5.230 7.826 ( -8.834 0.000 -0.211) 8.837 7.878 ( 2.242 -0.000 1.464) 2.678 7.895 ( 3.729 -0.000 -0.272) 3.739 8.193 ( 0.080 -0.000 -2.733) 2.734 8.272 ( 3.820 -0.000 -3.608) 5.254 8.379 ( 0.680 -0.000 2.688) 2.772 8.391 ( 0.018 -0.000 5.499) 5.499 8.586 ( -0.509 0.000 7.989) 8.005 8.648 ( -0.992 0.000 1.582) 1.868 8.828 ( -0.167 0.000 -3.844) 3.847 8.948 ( -0.229 0.000 -3.252) 3.260 11.868 ( 0.852 -0.000 1.075) 1.371 11.983 ( -0.817 0.000 -2.736) 2.856 12.045 ( -1.201 0.000 1.922) 2.267 12.142 ( 1.106 -0.000 0.455) 1.196 15.370 ( -0.792 0.000 0.834) 1.151 15.378 ( 0.992 -0.000 1.038) 1.436 15.626 ( -0.387 0.000 3.186) 3.209 15.789 ( 0.136 -0.000 -0.764) 0.776 15.841 ( -0.213 0.000 2.031) 2.043 16.049 ( -0.104 0.000 -2.133) 2.135 16.104 ( -0.060 0.000 -2.643) 2.644 16.176 ( -0.264 0.000 -5.588) 5.594 16.335 ( 4.492 -0.000 5.877) 7.397 16.346 ( -3.471 0.000 0.318) 3.485 16.396 ( -3.124 0.000 3.245) 4.504 16.634 ( 3.705 -0.000 -0.839) 3.799 ======================= Grid point 84 (40/72) ======================= q-point: (-0.29 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -8.429 0.092 5.100) 9.853 1.101 ( -0.770 -1.109 0.501) 1.440 1.177 ( -15.698 0.892 2.975) 16.002 1.352 ( -0.654 -2.112 9.040) 9.306 1.454 ( 3.219 -5.789 6.776) 9.475 1.773 ( -1.610 -0.260 2.598) 3.067 1.794 ( -1.870 0.609 -3.905) 4.372 1.959 ( 0.330 -3.923 -4.312) 5.839 2.016 ( -5.170 -5.315 4.543) 8.695 2.167 ( -2.309 -2.206 -1.471) 3.516 2.251 ( -5.928 0.190 -3.540) 6.907 2.290 ( -3.318 0.677 3.865) 5.139 2.444 ( 4.536 3.639 -0.531) 5.840 2.491 ( 2.718 -0.216 -1.316) 3.028 2.586 ( 2.693 1.010 -0.583) 2.935 2.676 ( -1.059 2.883 4.473) 5.426 2.799 ( -2.244 -1.015 -1.576) 2.924 2.936 ( 0.039 8.557 -3.479) 9.238 2.997 ( 0.345 -1.328 0.822) 1.600 3.061 ( -1.448 0.248 -2.244) 2.683 3.176 ( -0.500 0.133 -0.807) 0.959 3.227 ( 2.525 -3.452 -0.597) 4.319 3.380 ( -0.841 2.577 -5.596) 6.218 3.413 ( 1.392 -0.671 -0.723) 1.706 3.584 ( 5.207 -2.670 6.542) 8.777 3.796 ( 0.428 -0.747 1.223) 1.495 3.879 ( -1.460 -1.751 0.891) 2.448 4.024 ( 0.595 3.922 -1.199) 4.144 4.146 ( -1.139 -0.040 2.025) 2.323 4.150 ( -1.809 -0.937 0.043) 2.038 4.238 ( 0.408 -2.527 1.387) 2.911 4.337 ( 0.811 3.940 -1.380) 4.252 4.405 ( -1.028 -0.606 -1.263) 1.737 4.494 ( -1.888 1.417 1.382) 2.736 4.530 ( 4.204 -1.252 -0.030) 4.387 4.654 ( 0.138 -5.161 -0.400) 5.179 4.721 ( 2.876 2.046 -0.378) 3.549 4.848 ( -2.017 -0.802 -1.512) 2.645 5.073 ( 2.889 -0.756 -2.883) 4.151 5.307 ( -3.999 3.089 0.202) 5.058 5.320 ( -4.609 1.977 -2.274) 5.506 5.501 ( -4.318 -0.327 -6.221) 7.580 5.512 ( 3.439 -1.275 6.481) 7.447 5.625 ( 3.390 -0.454 0.470) 3.452 5.772 ( 0.050 -2.867 -1.650) 3.309 5.948 ( 5.681 -1.015 2.460) 6.273 6.020 ( 3.459 -0.368 -3.662) 5.050 6.048 ( 0.229 1.054 1.621) 1.947 6.193 ( 2.540 -0.279 2.798) 3.789 6.213 ( -1.133 -4.427 -0.153) 4.572 6.383 ( -1.550 -0.248 0.028) 1.570 6.662 ( 2.681 5.067 -1.895) 6.037 6.828 ( 2.062 2.422 -0.601) 3.237 6.880 ( 2.385 -4.205 -1.332) 5.014 7.341 ( 1.599 0.146 0.792) 1.790 7.394 ( -1.193 3.978 -3.433) 5.388 7.587 ( -4.508 5.291 2.060) 7.250 7.761 ( -4.152 0.280 -2.318) 4.763 7.923 ( -1.675 -1.547 0.340) 2.305 7.949 ( 1.979 -1.876 -1.838) 3.288 8.187 ( -0.127 -0.333 -4.108) 4.123 8.288 ( 1.971 0.472 1.094) 2.303 8.368 ( -0.770 0.583 4.527) 4.629 8.437 ( 2.035 -1.876 3.873) 4.760 8.572 ( -1.031 1.540 5.820) 6.108 8.663 ( -1.383 -1.974 2.778) 3.678 8.809 ( -0.557 1.258 -3.854) 4.092 8.915 ( -0.256 2.338 -2.708) 3.586 11.883 ( 0.905 -0.591 1.271) 1.669 11.978 ( -0.827 -0.554 -2.580) 2.766 12.025 ( -1.288 0.899 1.685) 2.303 12.149 ( 1.124 0.483 0.107) 1.228 15.360 ( 0.177 -0.799 1.804) 1.981 15.456 ( 0.751 -5.256 -0.767) 5.364 15.619 ( 0.023 1.009 3.324) 3.474 15.792 ( 0.468 -0.140 -0.824) 0.958 15.834 ( -0.560 0.674 2.143) 2.315 15.994 ( -1.806 4.477 -0.842) 4.901 16.088 ( -0.505 0.869 -2.328) 2.536 16.142 ( -0.266 1.541 -5.208) 5.438 16.315 ( -1.844 -0.418 0.693) 2.014 16.393 ( -2.290 -1.846 2.363) 3.773 16.430 ( 3.440 -3.084 4.606) 6.524 16.660 ( 5.354 1.583 -0.322) 5.592 ======================= Grid point 85 (41/72) ======================= q-point: (-0.14 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -9.531 -10.374 0.730) 14.106 1.112 ( 1.205 0.332 0.430) 1.322 1.132 ( -8.240 -7.180 1.867) 11.088 1.394 ( -1.138 -2.091 5.468) 5.963 1.623 ( 2.028 -8.480 2.728) 9.136 1.709 ( 0.375 2.573 -2.972) 3.949 1.852 ( -2.679 -4.180 0.228) 4.970 2.021 ( 1.421 -1.721 -1.629) 2.763 2.074 ( -0.369 -2.050 2.885) 3.558 2.161 ( -7.044 -1.910 -0.514) 7.316 2.206 ( 1.212 0.769 -5.297) 5.488 2.306 ( -2.392 -3.108 3.255) 5.097 2.381 ( 2.594 6.196 0.242) 6.721 2.506 ( -1.523 0.053 3.097) 3.451 2.556 ( 0.825 5.824 0.251) 5.888 2.591 ( 0.463 2.606 1.482) 3.033 2.741 ( -2.500 5.825 -3.596) 7.288 2.770 ( -2.515 2.824 -0.999) 3.911 2.998 ( -6.384 1.961 -0.232) 6.683 3.068 ( 0.109 -4.331 3.465) 5.548 3.158 ( 0.555 0.955 -2.157) 2.424 3.318 ( -0.923 -4.142 4.094) 5.897 3.350 ( 0.838 0.811 -3.066) 3.280 3.398 ( 0.908 2.367 -0.515) 2.587 3.698 ( 6.676 -1.242 5.108) 8.497 3.851 ( 3.017 0.341 0.419) 3.065 3.894 ( 0.915 -2.903 1.195) 3.270 3.983 ( 2.161 1.308 -1.294) 2.838 4.120 ( -4.202 -1.499 -1.001) 4.572 4.177 ( 0.438 -1.191 0.278) 1.299 4.263 ( 1.229 1.188 0.139) 1.715 4.318 ( 1.673 -0.381 -0.543) 1.799 4.421 ( -2.498 -3.673 -1.549) 4.704 4.429 ( -2.762 2.525 1.959) 4.224 4.545 ( 3.166 3.192 -2.055) 4.943 4.696 ( -2.450 -0.511 -2.375) 3.450 4.753 ( 3.612 -1.989 5.906) 7.203 4.854 ( 0.464 -0.107 -5.987) 6.006 5.112 ( 1.510 -1.459 -0.853) 2.267 5.196 ( -3.837 4.261 -2.935) 6.441 5.256 ( -3.274 0.399 1.142) 3.490 5.453 ( -2.496 0.317 -3.516) 4.324 5.589 ( 2.519 -1.516 3.245) 4.379 5.665 ( 1.535 -1.471 0.596) 2.208 5.798 ( -0.363 -0.780 -3.092) 3.210 6.025 ( 3.003 -1.332 2.872) 4.363 6.040 ( 1.052 -1.661 1.191) 2.299 6.075 ( 4.170 0.152 -1.987) 4.622 6.172 ( -0.753 2.405 0.762) 2.633 6.301 ( 1.274 -3.253 1.042) 3.645 6.402 ( -1.592 -3.333 -0.716) 3.763 6.594 ( 2.387 4.532 -2.163) 5.560 6.816 ( 3.023 0.487 1.595) 3.453 6.971 ( 2.946 -2.629 -2.385) 4.613 7.225 ( -3.089 7.605 0.946) 8.262 7.341 ( -0.929 4.499 2.023) 5.020 7.545 ( 2.845 -1.882 -2.951) 4.511 7.719 ( -1.943 0.949 -3.598) 4.198 7.883 ( -3.182 2.458 -0.691) 4.080 7.980 ( -0.322 -1.081 -2.989) 3.195 8.203 ( -0.257 -1.981 -1.723) 2.638 8.305 ( -0.570 -1.116 4.430) 4.603 8.366 ( -0.458 -0.243 3.019) 3.063 8.493 ( 0.593 -2.089 2.689) 3.456 8.541 ( 0.855 1.842 4.900) 5.304 8.682 ( -1.914 -0.808 3.197) 3.812 8.764 ( -1.862 1.537 -4.105) 4.763 8.872 ( 1.061 2.020 -1.200) 2.578 11.908 ( 0.739 -0.937 1.494) 1.912 11.974 ( -0.787 0.376 -0.384) 0.953 12.007 ( -0.955 -0.490 -0.501) 1.184 12.141 ( 0.927 1.442 -0.559) 1.803 15.401 ( 0.324 -2.752 2.008) 3.422 15.539 ( 0.949 -0.511 -0.911) 1.411 15.622 ( 0.226 -2.657 1.630) 3.126 15.795 ( 0.723 0.804 -1.104) 1.545 15.809 ( -0.940 1.389 2.684) 3.165 15.894 ( -2.349 2.855 1.212) 3.890 16.065 ( -0.137 0.743 -2.512) 2.623 16.114 ( 0.564 0.951 -4.078) 4.225 16.322 ( -0.765 -1.428 0.245) 1.638 16.404 ( -2.410 -1.422 0.054) 2.799 16.512 ( 1.783 -2.184 4.481) 5.294 16.665 ( 5.501 3.459 -0.480) 6.516 ======================= Grid point 91 (42/72) ======================= q-point: (-0.29 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -13.895 0.000 12.370) 18.603 0.995 ( -15.729 0.000 8.439) 17.850 1.158 ( -0.574 0.000 1.451) 1.561 1.334 ( -1.415 0.000 5.228) 5.416 1.447 ( 5.278 -0.000 0.475) 5.299 1.553 ( -28.239 0.000 11.276) 30.407 1.780 ( -5.201 0.000 -7.287) 8.953 1.887 ( -2.758 0.000 4.000) 4.859 1.960 ( 7.691 -0.000 -1.023) 7.758 2.180 ( -7.082 0.000 -3.177) 7.762 2.196 ( 6.432 -0.000 -1.997) 6.735 2.301 ( -0.536 0.000 4.202) 4.236 2.516 ( 1.901 -0.000 -0.448) 1.953 2.517 ( 2.997 -0.000 -1.906) 3.552 2.621 ( 1.828 -0.000 2.695) 3.256 2.712 ( -0.186 0.000 1.042) 1.058 2.767 ( 0.340 -0.000 1.598) 1.634 2.985 ( 0.376 -0.000 -2.428) 2.457 3.033 ( -0.021 0.000 -4.417) 4.417 3.052 ( 0.420 -0.000 -0.289) 0.510 3.171 ( -0.323 0.000 1.480) 1.515 3.223 ( 1.292 -0.000 -3.027) 3.291 3.404 ( 0.198 -0.000 -10.158) 10.159 3.404 ( -0.379 0.000 -1.801) 1.840 3.607 ( 4.810 -0.000 8.081) 9.404 3.816 ( 1.365 -0.000 1.439) 1.983 3.818 ( 0.115 -0.000 0.378) 0.395 4.061 ( -0.585 0.000 0.991) 1.151 4.109 ( -4.949 0.000 -4.831) 6.916 4.166 ( -0.276 0.000 -2.214) 2.231 4.189 ( 0.798 -0.000 9.694) 9.727 4.393 ( -3.279 0.000 -0.525) 3.321 4.399 ( 1.681 -0.000 -1.515) 2.263 4.493 ( -4.432 0.000 2.275) 4.982 4.523 ( 4.291 -0.000 -5.796) 7.211 4.615 ( 3.753 -0.000 -0.799) 3.837 4.779 ( 3.610 -0.000 -2.963) 4.670 4.807 ( -3.307 0.000 3.632) 4.912 5.078 ( 0.720 -0.000 -4.201) 4.262 5.306 ( -3.468 0.000 0.044) 3.468 5.313 ( -2.382 0.000 -1.443) 2.785 5.459 ( -3.211 0.000 -6.804) 7.524 5.535 ( 3.021 -0.000 8.678) 9.188 5.634 ( 0.810 -0.000 3.663) 3.751 5.754 ( 2.082 -0.000 -1.060) 2.337 5.997 ( 5.099 -0.000 3.786) 6.351 6.036 ( 2.892 -0.000 -4.302) 5.184 6.088 ( 1.175 -0.000 1.880) 2.217 6.131 ( -0.775 0.000 -2.906) 3.007 6.242 ( 4.955 -0.000 2.233) 5.435 6.365 ( -1.797 0.000 1.345) 2.244 6.752 ( 2.482 -0.000 -4.084) 4.779 6.846 ( 4.172 -0.000 0.655) 4.223 6.887 ( 3.823 -0.000 -1.552) 4.126 7.345 ( 1.987 -0.000 -0.782) 2.135 7.411 ( -3.531 0.000 -3.174) 4.748 7.628 ( -4.198 0.000 1.662) 4.515 7.656 ( -8.766 0.000 0.809) 8.804 7.934 ( 3.509 -0.000 -1.919) 4.000 7.937 ( 0.584 -0.000 -0.639) 0.866 8.170 ( -1.797 0.000 -1.173) 2.146 8.320 ( 1.604 -0.000 -1.228) 2.020 8.400 ( 0.768 -0.000 1.108) 1.348 8.421 ( 1.413 -0.000 5.134) 5.325 8.600 ( 0.181 -0.000 7.159) 7.161 8.625 ( -1.234 0.000 3.150) 3.383 8.814 ( -0.395 0.000 -3.693) 3.714 8.927 ( -1.006 0.000 -3.280) 3.431 11.888 ( 0.861 -0.000 1.248) 1.516 11.962 ( -0.586 0.000 -2.621) 2.686 12.025 ( -1.375 0.000 1.755) 2.230 12.162 ( 0.929 -0.000 0.260) 0.965 15.358 ( -0.632 0.000 0.472) 0.789 15.400 ( 0.887 -0.000 1.093) 1.408 15.637 ( 0.469 -0.000 3.783) 3.812 15.791 ( 0.378 -0.000 -1.046) 1.112 15.839 ( -0.559 0.000 1.933) 2.012 16.036 ( -0.781 0.000 -1.970) 2.119 16.086 ( -1.111 0.000 -1.985) 2.275 16.134 ( -2.539 0.000 -7.618) 8.030 16.283 ( -2.726 0.000 -0.758) 2.829 16.353 ( -2.264 0.000 1.933) 2.977 16.473 ( 8.403 -0.000 11.972) 14.626 16.725 ( 5.690 -0.000 0.136) 5.692 ======================= Grid point 92 (43/72) ======================= q-point: (-0.14 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -20.484 0.641 10.070) 22.834 0.894 ( -13.085 -8.143 8.574) 17.636 1.156 ( 2.789 1.180 -0.039) 3.028 1.360 ( -1.486 -2.365 4.029) 4.903 1.522 ( -0.605 -6.068 1.081) 6.193 1.568 ( -14.329 -15.310 9.766) 23.132 1.713 ( -5.218 -1.491 -5.905) 8.020 1.921 ( -3.955 -5.185 6.722) 9.366 2.026 ( 3.535 -0.829 -1.737) 4.025 2.104 ( -0.436 2.997 -1.797) 3.522 2.248 ( 2.178 1.749 -0.144) 2.797 2.299 ( 2.993 0.036 1.172) 3.215 2.499 ( 1.239 3.912 1.610) 4.408 2.509 ( 0.579 1.362 -1.353) 2.005 2.616 ( 0.549 0.881 2.308) 2.531 2.657 ( -2.536 4.095 1.069) 4.934 2.760 ( -2.168 2.249 0.574) 3.176 2.921 ( -0.469 9.675 -4.900) 10.855 3.020 ( 1.057 -1.676 1.435) 2.447 3.035 ( -0.624 1.890 -1.397) 2.432 3.164 ( -0.385 0.328 -1.562) 1.642 3.242 ( -1.271 -2.083 2.336) 3.378 3.369 ( 2.095 0.724 -10.167) 10.406 3.406 ( -1.130 -0.834 -2.054) 2.488 3.704 ( 4.655 -3.899 6.844) 9.150 3.847 ( 2.885 -3.023 1.648) 4.491 3.898 ( 4.299 -2.038 1.177) 4.901 4.021 ( -0.596 2.340 -1.008) 2.616 4.070 ( -2.373 -0.098 -4.051) 4.696 4.145 ( -1.056 -0.637 2.255) 2.570 4.276 ( 1.586 -3.967 5.807) 7.209 4.333 ( -2.528 1.193 -1.952) 3.409 4.369 ( -0.385 2.706 -2.876) 3.968 4.445 ( -3.259 1.520 2.462) 4.358 4.600 ( 3.137 -2.594 -6.260) 7.467 4.631 ( -1.632 0.266 -5.832) 6.062 4.792 ( 3.193 0.249 10.138) 10.632 4.829 ( 1.236 -2.069 -4.584) 5.179 5.081 ( -1.292 -1.341 -4.041) 4.449 5.247 ( -2.336 3.759 -1.929) 4.828 5.257 ( -2.097 2.325 0.090) 3.132 5.426 ( -2.020 -0.212 -5.310) 5.685 5.594 ( 2.813 -1.728 6.886) 7.637 5.645 ( -1.333 -0.392 4.236) 4.458 5.789 ( 2.750 -1.025 -1.777) 3.431 6.015 ( 0.575 -0.074 2.112) 2.190 6.054 ( 1.812 0.994 -0.453) 2.115 6.119 ( 6.171 -1.614 -2.523) 6.860 6.191 ( -0.857 -3.584 0.542) 3.724 6.256 ( 2.895 1.678 2.101) 3.951 6.367 ( -0.468 -0.644 1.492) 1.691 6.706 ( 2.145 4.874 -2.521) 5.891 6.882 ( 4.193 2.422 -0.963) 4.937 6.951 ( 5.420 -3.355 -0.494) 6.394 7.313 ( -4.698 4.971 0.387) 6.851 7.388 ( -0.366 0.361 -1.959) 2.025 7.526 ( -0.824 -0.076 -0.066) 0.830 7.675 ( -3.736 -3.112 -1.254) 5.022 7.906 ( -1.013 2.642 -1.586) 3.244 7.961 ( 0.296 0.043 -0.763) 0.819 8.169 ( -0.592 -1.378 -3.096) 3.440 8.315 ( 0.066 1.153 1.997) 2.307 8.372 ( -0.089 1.335 4.148) 4.358 8.454 ( -1.964 -1.450 1.529) 2.880 8.597 ( 2.970 1.391 6.203) 7.016 8.637 ( -2.217 -0.824 4.437) 5.028 8.787 ( -0.727 1.851 -3.529) 4.050 8.901 ( -0.411 1.059 -2.466) 2.715 11.901 ( 0.439 -0.545 1.085) 1.291 11.961 ( -0.275 -0.576 -2.260) 2.348 12.007 ( -1.048 0.811 1.876) 2.297 12.166 ( 0.737 0.537 -0.382) 0.989 15.364 ( -0.096 -1.440 1.036) 1.776 15.477 ( 1.668 -5.673 -1.331) 6.062 15.631 ( 0.322 1.566 3.835) 4.155 15.803 ( 0.876 -0.560 -0.816) 1.321 15.828 ( -0.648 0.875 2.084) 2.351 15.944 ( -3.400 5.281 -0.087) 6.281 16.069 ( -0.750 0.367 -2.007) 2.174 16.118 ( -0.585 -0.619 -6.556) 6.611 16.280 ( -1.550 -1.685 -0.914) 2.466 16.353 ( -2.036 -1.589 0.783) 2.699 16.552 ( 6.730 2.026 11.211) 13.232 16.772 ( 6.639 1.453 0.333) 6.804 ======================= Grid point 99 (44/72) ======================= q-point: (-0.14 -0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -22.982 0.000 9.716) 24.951 0.673 ( -19.486 0.000 17.302) 26.059 1.032 ( -22.333 0.000 24.523) 33.169 1.195 ( 2.539 -0.000 -0.296) 2.556 1.400 ( -0.218 0.000 11.839) 11.841 1.522 ( 3.447 -0.000 -5.442) 6.442 1.616 ( -8.044 0.000 -9.884) 12.744 1.900 ( 2.872 -0.000 7.220) 7.770 2.017 ( -1.495 0.000 -2.909) 3.271 2.174 ( 4.585 -0.000 3.441) 5.733 2.304 ( 1.291 -0.000 1.628) 2.078 2.327 ( 7.340 -0.000 -2.341) 7.704 2.514 ( -1.524 0.000 0.876) 1.757 2.545 ( 0.239 -0.000 2.781) 2.791 2.649 ( -2.493 0.000 -3.438) 4.247 2.673 ( -1.973 0.000 -0.195) 1.982 2.764 ( -1.716 0.000 3.641) 4.025 3.003 ( 1.850 -0.000 -1.968) 2.700 3.019 ( -0.720 0.000 -2.580) 2.679 3.053 ( -0.047 0.000 -0.892) 0.893 3.160 ( -0.814 0.000 0.187) 0.835 3.235 ( 0.761 -0.000 -2.990) 3.085 3.344 ( -3.863 0.000 -3.961) 5.533 3.389 ( 1.787 -0.000 -15.062) 15.167 3.706 ( 3.004 -0.000 8.264) 8.793 3.836 ( 0.730 -0.000 2.519) 2.622 3.900 ( 5.155 -0.000 1.160) 5.284 4.036 ( -1.268 0.000 -3.350) 3.582 4.067 ( 1.288 -0.000 1.200) 1.760 4.147 ( -0.614 0.000 -2.497) 2.572 4.222 ( 0.130 -0.000 9.947) 9.948 4.309 ( -5.067 0.000 -2.474) 5.638 4.417 ( 0.546 -0.000 -3.158) 3.205 4.442 ( 0.251 -0.000 6.490) 6.495 4.585 ( 4.192 -0.000 -7.753) 8.813 4.601 ( -2.827 0.000 -10.425) 10.801 4.813 ( 0.788 -0.000 -2.668) 2.782 4.839 ( 3.075 -0.000 13.382) 13.730 5.041 ( -2.386 0.000 -5.638) 6.122 5.266 ( -1.730 0.000 -1.105) 2.053 5.281 ( -0.979 0.000 -4.236) 4.348 5.390 ( -2.174 0.000 -3.710) 4.300 5.597 ( 0.789 -0.000 7.687) 7.728 5.645 ( -1.080 0.000 5.968) 6.065 5.814 ( 4.431 -0.000 1.954) 4.843 6.033 ( -1.189 0.000 3.531) 3.726 6.075 ( 1.311 -0.000 -4.453) 4.642 6.150 ( 3.650 -0.000 -1.088) 3.809 6.152 ( 6.391 -0.000 0.982) 6.466 6.326 ( 3.196 -0.000 0.948) 3.334 6.353 ( -0.162 0.000 4.352) 4.355 6.769 ( -0.110 0.000 -4.810) 4.812 6.951 ( 6.447 -0.000 0.857) 6.504 6.961 ( 4.613 -0.000 -1.206) 4.768 7.309 ( -6.563 0.000 0.691) 6.599 7.360 ( -0.679 0.000 -2.576) 2.664 7.536 ( -3.970 0.000 1.858) 4.383 7.579 ( -1.621 0.000 0.581) 1.722 7.926 ( -1.183 0.000 1.454) 1.875 7.994 ( 4.020 -0.000 -4.408) 5.965 8.135 ( -1.493 0.000 0.334) 1.530 8.305 ( -4.280 0.000 -0.380) 4.297 8.402 ( -0.490 0.000 -1.407) 1.490 8.419 ( -2.289 0.000 0.459) 2.334 8.633 ( 0.965 -0.000 6.640) 6.710 8.686 ( 6.768 -0.000 5.251) 8.566 8.796 ( -0.248 0.000 -3.499) 3.507 8.901 ( -0.582 0.000 -2.886) 2.944 11.898 ( -0.208 0.000 0.367) 0.422 11.951 ( 0.100 -0.000 -2.146) 2.148 12.011 ( -0.527 0.000 2.455) 2.511 12.174 ( 0.287 -0.000 -0.257) 0.386 15.351 ( -0.253 0.000 0.326) 0.413 15.411 ( -0.016 0.000 0.322) 0.322 15.668 ( 2.240 -0.000 4.985) 5.465 15.798 ( 0.636 -0.000 -0.892) 1.095 15.833 ( -0.475 0.000 1.857) 1.917 16.009 ( -1.346 0.000 -2.411) 2.761 16.034 ( -6.474 0.000 -7.271) 9.736 16.064 ( -0.543 0.000 -1.373) 1.477 16.250 ( -0.646 0.000 -0.364) 0.741 16.321 ( -1.602 0.000 0.710) 1.752 16.743 ( 18.155 -0.000 15.844) 24.096 16.822 ( 4.120 -0.000 1.217) 4.296 ======================= Grid point 100 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 3.316 -0.000 21.400) 21.655 0.940 ( -4.374 0.000 22.043) 22.473 1.184 ( 0.364 -0.000 -18.983) 18.987 1.186 ( -0.522 0.000 3.207) 3.249 1.228 ( -0.770 0.000 0.024) 0.770 1.333 ( 3.296 -0.000 -15.126) 15.481 1.806 ( -0.916 0.000 16.960) 16.984 1.940 ( -1.275 0.000 -2.933) 3.198 2.123 ( -5.674 0.000 18.051) 18.921 2.274 ( -2.476 0.000 1.662) 2.982 2.396 ( 1.286 -0.000 1.036) 1.651 2.415 ( 8.317 -0.000 1.120) 8.392 2.438 ( -7.523 0.000 -0.804) 7.566 2.518 ( -0.587 0.000 0.394) 0.707 2.616 ( 3.456 -0.000 -0.382) 3.477 2.775 ( -0.633 0.000 9.807) 9.828 2.807 ( -3.360 0.000 -7.480) 8.200 2.870 ( 5.404 -0.000 -11.751) 12.934 2.943 ( 0.952 -0.000 -4.407) 4.508 2.958 ( 0.185 -0.000 -8.143) 8.145 3.093 ( 0.726 -0.000 -1.248) 1.444 3.123 ( -0.690 0.000 -2.178) 2.285 3.220 ( -1.195 0.000 0.384) 1.256 3.251 ( 1.463 -0.000 -2.430) 2.836 3.895 ( -2.973 0.000 7.611) 8.171 3.965 ( 2.731 -0.000 5.252) 5.920 3.970 ( -0.214 0.000 2.856) 2.864 3.996 ( 3.227 -0.000 -3.337) 4.642 4.094 ( 0.872 -0.000 -2.275) 2.437 4.121 ( -0.691 0.000 1.531) 1.680 4.150 ( -2.464 0.000 -2.403) 3.442 4.262 ( -1.665 0.000 -8.501) 8.662 4.352 ( -0.689 0.000 3.899) 3.959 4.461 ( 1.602 -0.000 -7.432) 7.603 4.500 ( -1.151 0.000 7.865) 7.949 4.678 ( 0.210 -0.000 -9.493) 9.496 4.747 ( 8.104 -0.000 5.757) 9.940 4.864 ( -5.468 0.000 -5.996) 8.115 5.080 ( -4.332 0.000 4.514) 6.256 5.125 ( 0.237 -0.000 -2.995) 3.005 5.212 ( 1.927 -0.000 4.123) 4.551 5.326 ( 0.131 -0.000 -5.270) 5.271 5.770 ( -0.899 0.000 9.180) 9.223 5.775 ( -1.803 0.000 7.601) 7.812 5.902 ( 2.039 -0.000 -3.109) 3.718 5.954 ( 1.575 -0.000 -7.956) 8.110 6.077 ( -1.869 0.000 1.754) 2.563 6.142 ( 0.241 -0.000 -5.177) 5.183 6.203 ( -0.603 0.000 7.212) 7.237 6.336 ( 0.374 -0.000 -5.378) 5.391 6.528 ( 2.123 -0.000 7.269) 7.573 6.651 ( -1.201 0.000 -5.589) 5.717 7.080 ( -0.488 0.000 2.398) 2.447 7.115 ( 4.707 -0.000 -1.185) 4.854 7.225 ( -2.730 0.000 1.753) 3.244 7.273 ( 2.464 -0.000 -3.289) 4.110 7.530 ( -1.864 0.000 1.641) 2.484 7.555 ( 0.108 -0.000 -0.887) 0.893 8.005 ( 0.424 -0.000 3.017) 3.047 8.029 ( 3.182 -0.000 -0.083) 3.183 8.134 ( 4.074 -0.000 -0.305) 4.085 8.147 ( -7.835 0.000 -1.482) 7.974 8.374 ( -3.020 0.000 2.174) 3.721 8.410 ( 1.870 -0.000 -0.406) 1.914 8.702 ( -2.217 0.000 -0.647) 2.310 8.722 ( -1.197 0.000 -0.456) 1.281 8.767 ( 1.792 -0.000 2.347) 2.953 8.840 ( 0.601 -0.000 -3.704) 3.752 11.891 ( -1.378 0.000 1.081) 1.751 11.921 ( 1.363 -0.000 -1.883) 2.324 12.086 ( 0.664 -0.000 3.468) 3.531 12.142 ( -0.717 0.000 -2.258) 2.369 15.367 ( 0.831 -0.000 0.935) 1.251 15.386 ( -1.162 0.000 -0.949) 1.500 15.771 ( 1.133 -0.000 0.749) 1.358 15.789 ( 0.041 -0.000 -1.018) 1.019 15.881 ( -1.165 0.000 2.389) 2.658 15.933 ( 0.564 -0.000 -2.970) 3.023 15.941 ( -0.143 0.000 3.731) 3.734 16.011 ( -0.009 0.000 -3.349) 3.349 16.273 ( 1.803 -0.000 0.928) 2.028 16.288 ( -1.754 0.000 -0.671) 1.878 16.917 ( 0.327 -0.000 3.045) 3.062 16.974 ( -1.342 0.000 -2.793) 3.098 ======================= Grid point 101 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 2.781 -1.486 15.536) 15.853 0.987 ( 8.233 -9.654 16.282) 20.642 1.149 ( -2.003 2.407 -4.716) 5.661 1.223 ( 3.181 -4.091 -14.632) 15.522 1.294 ( 0.505 -6.050 1.582) 6.274 1.482 ( 8.794 -9.681 -10.561) 16.811 1.803 ( -1.426 1.026 12.329) 12.454 1.900 ( -1.974 1.862 -4.359) 5.135 2.163 ( -4.644 -6.388 19.262) 20.818 2.206 ( -4.973 4.005 0.970) 6.459 2.294 ( -0.035 5.993 -1.433) 6.162 2.339 ( -2.705 2.870 -1.311) 4.156 2.488 ( 1.419 1.452 2.830) 3.483 2.567 ( -0.370 -1.656 -0.170) 1.706 2.616 ( 1.433 1.161 2.306) 2.953 2.719 ( 0.541 6.450 5.594) 8.555 2.794 ( -0.994 1.120 4.260) 4.516 2.841 ( 3.921 6.587 -4.549) 8.913 2.918 ( 2.654 2.920 -6.767) 7.833 2.963 ( 2.321 -4.933 -15.797) 16.711 3.109 ( 0.766 -1.175 -2.140) 2.558 3.149 ( 2.375 -1.872 -2.035) 3.644 3.253 ( -2.421 -5.869 4.326) 7.682 3.361 ( 0.577 -6.715 -3.125) 7.429 3.871 ( -3.792 -0.156 5.949) 7.056 3.958 ( -1.004 0.717 2.173) 2.499 3.996 ( 0.256 0.876 -1.108) 1.436 4.029 ( 4.471 -0.229 -2.492) 5.124 4.094 ( 1.737 -0.552 4.875) 5.205 4.134 ( -1.439 -2.276 -3.673) 4.555 4.185 ( 0.412 -2.543 1.842) 3.167 4.242 ( -2.127 -0.999 -7.116) 7.494 4.367 ( -0.462 -1.905 2.607) 3.262 4.464 ( 0.543 -0.022 -5.863) 5.889 4.484 ( 0.070 1.609 8.073) 8.232 4.659 ( 0.670 1.018 -9.959) 10.033 4.726 ( -2.850 4.926 4.496) 7.253 4.856 ( 2.113 -1.247 -5.186) 5.737 5.053 ( -4.186 -0.727 2.685) 5.026 5.123 ( 2.449 0.306 0.093) 2.469 5.224 ( 1.389 0.473 5.323) 5.522 5.321 ( -0.019 -0.180 -6.378) 6.381 5.722 ( -2.891 3.154 6.174) 7.511 5.789 ( 0.974 -0.208 6.133) 6.214 5.872 ( -0.748 1.874 -2.878) 3.515 5.968 ( 0.621 -0.707 -7.050) 7.113 6.073 ( -2.217 -0.610 2.433) 3.348 6.136 ( -1.483 -0.416 -3.090) 3.453 6.231 ( -1.273 -3.452 6.510) 7.478 6.343 ( -0.888 -2.166 -3.478) 4.193 6.513 ( 1.626 4.432 6.012) 7.644 6.584 ( -1.193 4.824 -6.432) 8.128 7.043 ( -7.740 2.788 -1.022) 8.290 7.068 ( -3.802 -0.799 0.705) 3.948 7.230 ( 5.774 3.529 0.981) 6.838 7.285 ( 6.530 3.669 -2.635) 7.940 7.542 ( 0.045 -1.135 1.080) 1.567 7.582 ( -0.158 -2.794 -2.092) 3.494 7.888 ( -1.601 6.122 2.384) 6.762 7.993 ( 3.843 4.977 -3.031) 6.981 8.175 ( -3.321 -6.439 1.754) 7.455 8.264 ( 3.606 -4.346 -0.067) 5.647 8.389 ( -2.326 -4.151 1.779) 5.080 8.442 ( 2.347 -0.871 1.946) 3.171 8.631 ( -3.605 3.409 2.279) 5.460 8.693 ( -0.461 1.890 0.405) 1.987 8.788 ( 0.936 -0.247 0.907) 1.327 8.838 ( 0.490 0.433 -3.541) 3.601 11.889 ( -1.242 -0.844 1.141) 1.886 11.941 ( 1.594 -0.967 -1.768) 2.569 12.084 ( 0.477 1.252 3.389) 3.644 12.122 ( -0.786 1.061 -2.521) 2.846 15.384 ( -0.743 -1.945 1.819) 2.765 15.433 ( 0.702 -4.287 -2.345) 4.937 15.748 ( -0.114 2.597 1.506) 3.005 15.775 ( 0.001 1.114 -1.438) 1.819 15.870 ( -1.513 0.242 3.837) 4.131 15.933 ( 0.414 0.190 2.467) 2.509 15.975 ( 2.405 -1.003 -2.848) 3.860 16.011 ( 1.011 -0.191 -4.029) 4.159 16.285 ( -1.226 -1.425 -0.432) 1.929 16.309 ( 2.121 -1.579 0.534) 2.698 16.827 ( -4.254 6.980 4.631) 9.395 16.883 ( -4.122 4.913 -1.698) 6.634 ======================= Grid point 102 (47/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 5.209 -3.943 4.695) 8.045 1.100 ( 0.667 -0.595 -3.432) 3.547 1.258 ( 0.181 -11.270 9.731) 14.891 1.340 ( 1.539 -7.503 -12.578) 14.726 1.447 ( 3.164 -8.350 7.681) 11.778 1.745 ( 8.614 -8.550 -10.379) 15.970 1.780 ( 0.729 2.671 5.930) 6.545 1.859 ( 1.766 -0.411 -4.752) 5.086 2.076 ( -3.552 4.240 -0.554) 5.558 2.137 ( -3.397 5.037 0.709) 6.117 2.276 ( -0.794 1.981 0.182) 2.142 2.333 ( -3.227 -6.359 8.339) 10.973 2.446 ( 3.457 7.051 -0.197) 7.855 2.479 ( -3.756 3.857 1.252) 5.527 2.567 ( 2.017 4.601 -1.422) 5.222 2.641 ( 3.506 5.118 -0.240) 6.208 2.732 ( -1.337 2.957 8.538) 9.134 2.764 ( -2.735 5.582 -2.308) 6.631 2.938 ( 6.389 -2.353 5.463) 8.729 3.089 ( 1.068 -7.114 -7.010) 10.045 3.141 ( 1.410 -1.912 -4.382) 4.984 3.225 ( 1.706 -4.060 -2.198) 4.922 3.331 ( -2.757 -2.934 4.667) 6.163 3.459 ( -1.050 -4.152 -1.535) 4.550 3.848 ( -4.094 -0.118 3.709) 5.525 3.925 ( -1.687 1.808 1.445) 2.864 3.956 ( -0.870 1.646 -1.979) 2.717 4.060 ( 3.036 -0.034 -2.862) 4.173 4.116 ( -1.681 0.826 -0.694) 1.998 4.164 ( 0.669 -0.478 2.285) 2.429 4.208 ( 0.175 -2.893 -0.164) 2.903 4.273 ( 1.101 -2.412 -2.312) 3.518 4.405 ( -0.579 -0.281 2.119) 2.215 4.443 ( -0.725 0.868 0.080) 1.134 4.493 ( 0.790 -1.024 3.848) 4.059 4.619 ( 2.598 2.274 -7.390) 8.156 4.661 ( -2.362 -0.374 1.912) 3.062 4.870 ( 2.284 0.630 -4.849) 5.396 5.035 ( -3.296 -0.372 2.029) 3.888 5.160 ( 3.695 -0.579 0.766) 3.818 5.257 ( 1.899 -1.424 3.700) 4.396 5.320 ( 0.070 -1.094 -5.494) 5.602 5.660 ( -1.121 1.608 3.534) 4.041 5.767 ( 0.396 3.161 -3.028) 4.395 5.883 ( -1.494 -3.904 4.296) 5.994 5.923 ( -4.516 3.157 -3.571) 6.566 6.087 ( -0.489 -1.708 2.319) 2.922 6.118 ( -2.269 -0.986 -2.945) 3.847 6.318 ( -0.448 -4.825 3.319) 5.874 6.359 ( -0.990 2.156 0.827) 2.512 6.426 ( 0.913 6.331 2.546) 6.885 6.478 ( 0.089 1.830 -6.896) 7.135 6.929 ( -6.486 1.165 1.373) 6.731 7.046 ( -4.146 -0.382 -2.501) 4.857 7.187 ( 3.165 6.066 1.446) 6.993 7.261 ( 6.310 3.595 0.671) 7.293 7.529 ( -0.393 1.718 -2.513) 3.069 7.631 ( 1.543 -0.967 -2.044) 2.737 7.809 ( -1.267 1.325 1.625) 2.449 7.967 ( 3.502 1.449 -2.199) 4.382 8.261 ( -2.098 -5.369 -1.248) 5.898 8.334 ( 2.467 -0.531 3.061) 3.967 8.450 ( -1.870 -2.355 1.452) 3.339 8.494 ( 1.234 -2.654 2.997) 4.189 8.548 ( -2.815 1.911 1.345) 3.658 8.656 ( 1.268 2.146 1.403) 2.860 8.804 ( 0.916 -0.555 1.267) 1.659 8.816 ( -0.495 1.501 -3.515) 3.854 11.902 ( -0.980 -1.483 1.346) 2.230 11.979 ( 1.634 -1.691 -1.721) 2.914 12.060 ( 0.082 1.865 2.944) 3.486 12.084 ( -0.605 1.885 -2.547) 3.225 15.426 ( -1.297 -3.030 2.291) 4.014 15.522 ( 1.360 -4.046 -3.212) 5.342 15.694 ( -1.016 2.478 2.609) 3.739 15.748 ( -0.023 1.601 -1.184) 1.992 15.862 ( -0.370 0.210 4.365) 4.386 15.935 ( 0.061 0.356 3.547) 3.566 15.987 ( 0.805 0.368 -3.585) 3.693 16.024 ( 2.037 0.228 -5.549) 5.915 16.321 ( -0.084 -3.041 -0.724) 3.127 16.362 ( 1.945 -1.737 0.292) 2.624 16.666 ( -4.377 5.755 5.241) 8.930 16.743 ( -3.539 5.229 -2.308) 6.722 ======================= Grid point 103 (48/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.365 -1.068 0.220) 1.150 1.157 ( 1.274 -0.019 -2.067) 2.428 1.443 ( 0.923 -3.735 -0.181) 3.852 1.485 ( -0.252 -8.828 0.137) 8.832 1.604 ( 0.409 -1.253 13.173) 13.239 1.727 ( -1.454 -2.578 -4.145) 5.093 1.874 ( 4.441 -0.408 -8.078) 9.227 1.929 ( -0.838 2.726 -2.989) 4.132 2.010 ( 6.413 -2.883 -1.191) 7.132 2.064 ( -0.874 0.566 -1.514) 1.837 2.206 ( -3.019 7.382 -3.795) 8.832 2.270 ( -2.310 0.239 0.272) 2.338 2.401 ( 1.181 2.157 3.562) 4.329 2.486 ( 0.103 1.635 0.588) 1.741 2.509 ( 3.933 0.604 1.533) 4.264 2.599 ( -1.674 -0.323 0.312) 1.733 2.648 ( -1.954 2.112 0.410) 2.906 2.690 ( -0.117 1.592 2.015) 2.570 3.001 ( 1.227 -0.654 1.913) 2.365 3.194 ( -0.703 -1.734 2.531) 3.147 3.247 ( 4.822 -5.415 -0.788) 7.294 3.290 ( -0.726 -1.323 -1.496) 2.125 3.323 ( -2.224 -0.643 3.527) 4.219 3.478 ( -1.602 0.812 -0.002) 1.796 3.802 ( -1.777 1.385 3.755) 4.379 3.873 ( -2.599 1.431 -0.184) 2.972 3.934 ( -0.637 -0.344 -1.119) 1.332 4.063 ( -1.299 2.504 -0.870) 2.952 4.108 ( 4.199 -2.093 -1.013) 4.800 4.160 ( -1.585 0.714 1.692) 2.426 4.271 ( 1.120 -1.356 1.652) 2.412 4.320 ( 1.417 -1.221 -2.092) 2.807 4.391 ( -3.623 -1.284 1.301) 4.058 4.419 ( 0.828 0.437 2.651) 2.812 4.520 ( 3.789 2.014 -1.981) 4.727 4.617 ( -0.296 -0.602 -6.163) 6.199 4.669 ( -1.382 -1.926 0.684) 2.468 4.898 ( 4.208 -1.035 -0.150) 4.336 4.997 ( -4.048 0.786 -0.098) 4.125 5.190 ( 2.238 0.821 -0.692) 2.482 5.286 ( -0.197 -0.770 0.714) 1.069 5.372 ( 2.234 -2.508 -1.271) 3.591 5.640 ( -0.020 1.310 1.357) 1.887 5.724 ( 0.812 0.149 -3.149) 3.256 5.797 ( -5.429 3.827 -0.530) 6.663 5.965 ( 0.176 -4.167 3.123) 5.210 6.076 ( -1.843 -0.170 0.426) 1.899 6.178 ( -0.144 -4.666 -3.297) 5.715 6.253 ( -0.612 5.530 3.619) 6.638 6.288 ( 0.221 6.323 1.638) 6.535 6.415 ( 1.075 -2.774 -2.835) 4.109 6.491 ( -0.046 -0.727 -2.469) 2.574 6.902 ( -3.420 -2.588 3.205) 5.354 7.009 ( -1.476 0.995 -3.548) 3.970 7.088 ( 1.906 5.458 1.300) 5.926 7.274 ( 2.021 -0.002 2.391) 3.130 7.493 ( 0.773 1.338 -4.009) 4.297 7.642 ( 0.475 0.037 -1.451) 1.527 7.797 ( -0.519 -0.293 -0.083) 0.601 7.974 ( 1.344 0.409 -1.395) 1.980 8.317 ( -1.543 -1.256 -1.683) 2.606 8.360 ( 1.823 -0.898 4.343) 4.795 8.449 ( -1.139 0.613 3.396) 3.634 8.498 ( 0.055 1.016 -0.262) 1.051 8.562 ( -1.398 -2.852 -0.366) 3.197 8.653 ( 1.750 -0.007 3.251) 3.692 8.768 ( -1.479 2.097 -2.936) 3.899 8.827 ( 1.039 -0.671 0.685) 1.414 11.928 ( -0.458 -1.790 1.604) 2.447 12.016 ( 0.681 0.391 0.574) 0.973 12.030 ( 0.134 1.637 -0.892) 1.869 12.044 ( -0.269 -0.002 -1.399) 1.425 15.470 ( -1.031 -2.300 1.576) 2.973 15.572 ( 0.845 0.352 0.464) 1.026 15.668 ( -0.632 -0.787 -0.944) 1.382 15.717 ( 0.098 1.169 -0.455) 1.258 15.864 ( 0.069 0.142 4.222) 4.225 15.928 ( -0.457 0.646 3.914) 3.993 15.982 ( 0.432 0.028 -3.665) 3.691 16.023 ( 1.174 0.478 -5.349) 5.497 16.375 ( 0.414 -1.763 -0.425) 1.860 16.401 ( 0.782 -0.892 0.026) 1.186 16.568 ( -1.704 1.640 3.051) 3.861 16.639 ( -1.733 2.833 -1.283) 3.560 ======================= Grid point 104 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -0.332 3.183 -0.821) 3.304 1.123 ( -0.698 0.487 0.799) 1.167 1.352 ( -1.601 11.545 4.724) 12.577 1.531 ( -1.102 3.511 2.484) 4.440 1.631 ( 3.158 -0.711 3.054) 4.450 1.767 ( -1.977 -1.313 -1.157) 2.641 1.841 ( -4.173 3.342 -4.315) 6.871 1.943 ( 1.216 0.919 -5.996) 6.187 2.037 ( 2.341 0.395 -3.624) 4.332 2.055 ( -4.717 0.611 -1.724) 5.059 2.155 ( 3.895 -7.156 0.530) 8.164 2.287 ( 3.138 -1.690 -1.104) 3.731 2.420 ( -5.555 0.825 4.783) 7.377 2.429 ( 0.529 -4.417 0.618) 4.491 2.566 ( -1.892 -0.813 -1.344) 2.459 2.578 ( -0.557 -0.535 1.169) 1.401 2.642 ( 1.862 -1.682 0.880) 2.659 2.736 ( 0.883 -5.003 -0.886) 5.157 3.046 ( 2.729 -2.248 -3.013) 4.645 3.075 ( -7.784 9.455 9.076) 15.244 3.242 ( -0.862 3.435 3.542) 5.008 3.319 ( -1.812 2.468 -3.306) 4.506 3.373 ( 4.386 -1.686 -0.954) 4.795 3.448 ( 0.029 0.594 2.606) 2.673 3.824 ( 2.948 -2.709 4.366) 5.924 3.856 ( 0.404 -1.140 -1.398) 1.848 3.934 ( 0.633 0.436 -0.681) 1.027 4.017 ( -0.125 1.344 2.697) 3.016 4.105 ( -2.892 2.852 -0.802) 4.140 4.189 ( 3.836 -1.777 -0.306) 4.239 4.275 ( -0.186 1.293 1.771) 2.200 4.317 ( -1.325 0.890 -2.637) 3.083 4.409 ( -4.084 -3.303 5.271) 7.441 4.442 ( 3.511 0.869 -3.856) 5.287 4.503 ( 2.776 0.860 -2.584) 3.889 4.601 ( -1.826 0.789 -1.262) 2.356 4.681 ( -2.612 -1.058 -3.966) 4.866 4.939 ( -2.047 -0.050 1.794) 2.722 4.985 ( 2.789 -2.461 -3.127) 4.859 5.173 ( 0.377 1.921 0.683) 2.073 5.280 ( -1.187 1.109 0.697) 1.768 5.387 ( -0.895 1.552 -2.130) 2.784 5.639 ( 1.389 -1.336 1.402) 2.383 5.704 ( -3.142 0.715 -1.051) 3.389 5.775 ( 4.428 -1.237 1.017) 4.709 6.020 ( 0.299 -1.199 -0.541) 1.349 6.083 ( 1.404 0.607 -2.507) 2.937 6.149 ( 1.051 4.496 1.197) 4.769 6.209 ( -0.104 -1.361 5.524) 5.691 6.305 ( -0.507 -5.370 0.485) 5.416 6.438 ( 0.209 1.269 -3.100) 3.356 6.475 ( 0.024 0.802 -1.882) 2.045 6.936 ( 2.378 0.791 3.596) 4.383 6.963 ( 1.942 1.363 -2.409) 3.381 7.091 ( -2.112 -5.093 0.608) 5.547 7.290 ( -2.808 -1.687 0.977) 3.418 7.493 ( 2.140 -0.503 -4.083) 4.637 7.641 ( -1.250 -0.428 -1.368) 1.902 7.806 ( 0.876 -0.726 -0.961) 1.489 7.962 ( -1.461 0.782 -0.265) 1.678 8.279 ( -0.048 3.401 1.956) 3.924 8.409 ( 1.322 -0.770 0.932) 1.791 8.434 ( -0.237 -0.138 4.368) 4.377 8.482 ( -0.480 1.046 -0.282) 1.186 8.596 ( -0.372 -2.248 -2.891) 3.681 8.679 ( 0.515 -0.165 2.350) 2.412 8.716 ( -1.753 0.617 0.543) 1.936 8.843 ( 0.516 -0.197 -0.912) 1.066 11.953 ( 0.334 -0.034 0.003) 0.336 11.985 ( -0.500 2.012 2.043) 2.911 12.002 ( -0.284 -0.047 0.142) 0.321 12.079 ( 0.397 -2.195 -2.324) 3.221 15.480 ( -0.092 1.178 0.592) 1.321 15.554 ( -0.167 1.228 2.101) 2.439 15.665 ( -0.306 0.413 -0.954) 1.083 15.733 ( 0.654 -1.986 -1.525) 2.588 15.868 ( 0.056 -0.045 3.998) 3.998 15.917 ( -0.919 0.219 3.932) 4.044 15.987 ( 0.043 -0.698 -3.444) 3.515 16.019 ( 0.597 0.089 -5.014) 5.050 16.365 ( -1.079 2.117 0.766) 2.497 16.404 ( -0.566 0.671 -0.082) 0.882 16.594 ( 1.396 -2.527 1.170) 3.115 16.619 ( 1.837 -2.086 -0.298) 2.796 ======================= Grid point 105 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -2.648 7.591 7.675) 11.114 1.071 ( -2.905 6.895 4.033) 8.500 1.168 ( 0.187 3.132 2.836) 4.229 1.443 ( -1.724 5.268 -4.343) 7.041 1.566 ( 0.288 7.799 -1.775) 8.004 1.627 ( -8.344 9.730 -4.155) 13.474 1.768 ( -1.738 1.658 3.833) 4.523 1.909 ( -2.490 -3.539 -6.622) 7.910 2.073 ( 4.274 -2.231 0.096) 4.822 2.144 ( 1.557 -6.866 -0.555) 7.062 2.271 ( 3.233 0.969 2.364) 4.121 2.352 ( -2.759 -1.628 3.894) 5.042 2.441 ( 0.021 -5.770 2.235) 6.188 2.510 ( -0.306 -3.827 -2.637) 4.657 2.580 ( -1.568 -4.173 -1.939) 4.861 2.625 ( -2.401 -6.949 1.510) 7.505 2.710 ( 3.170 -0.870 3.722) 4.966 2.778 ( -2.502 6.283 10.160) 12.205 2.885 ( -3.804 -3.361 -0.877) 5.152 3.096 ( 1.564 -0.182 -7.184) 7.354 3.147 ( -1.788 5.700 1.413) 6.139 3.204 ( -1.000 5.496 -4.568) 7.217 3.392 ( 0.582 3.284 2.045) 3.912 3.423 ( 1.536 3.185 -0.197) 3.541 3.891 ( 1.884 -0.899 0.728) 2.211 3.936 ( 2.924 -3.519 1.200) 4.730 3.942 ( 2.430 -0.284 -0.341) 2.470 4.010 ( 0.288 0.710 4.979) 5.038 4.026 ( -1.171 2.007 -0.553) 2.389 4.199 ( 0.403 2.449 0.629) 2.560 4.251 ( -1.808 2.320 -1.659) 3.376 4.279 ( 0.257 -0.364 -3.849) 3.875 4.429 ( 0.755 -0.173 1.617) 1.793 4.458 ( -0.941 -2.134 2.418) 3.359 4.493 ( -4.146 1.730 -3.905) 5.953 4.590 ( 3.645 0.104 5.065) 6.241 4.666 ( -0.703 -0.766 -9.999) 10.052 4.928 ( -3.779 -1.755 -4.200) 5.917 5.050 ( 2.393 -1.625 -0.893) 3.027 5.137 ( -0.555 1.881 4.301) 4.727 5.234 ( -2.096 1.693 0.071) 2.696 5.342 ( -0.330 1.092 -3.810) 3.977 5.694 ( 0.202 -2.828 3.733) 4.687 5.705 ( 1.072 -1.700 -0.632) 2.107 5.826 ( 3.273 0.268 4.415) 5.502 6.000 ( 0.453 2.773 -5.852) 6.492 6.080 ( 1.220 0.226 1.643) 2.059 6.125 ( 2.723 0.308 -1.887) 3.327 6.295 ( 2.762 -2.880 5.944) 7.159 6.346 ( -0.584 3.530 3.057) 4.706 6.377 ( -0.864 -0.522 0.421) 1.094 6.525 ( 0.116 -5.903 -6.107) 8.494 6.938 ( 6.390 1.394 1.032) 6.622 7.010 ( 3.750 -1.498 0.540) 4.074 7.183 ( -3.714 -6.366 1.280) 7.480 7.289 ( -5.666 -2.518 -1.556) 6.392 7.530 ( 2.644 -0.917 -2.470) 3.732 7.625 ( -1.957 0.486 -1.510) 2.520 7.841 ( 1.253 -2.163 -1.252) 2.796 7.929 ( -3.333 -0.333 1.121) 3.533 8.216 ( 1.717 4.276 2.160) 5.089 8.401 ( -0.565 0.809 -0.246) 1.017 8.425 ( -1.187 3.557 1.143) 3.920 8.472 ( -0.186 -0.679 4.406) 4.462 8.616 ( -0.808 -0.859 -4.820) 4.963 8.678 ( -0.182 -1.647 -0.398) 1.704 8.734 ( 0.213 -1.314 5.008) 5.182 8.843 ( 0.232 0.221 -2.456) 2.477 11.936 ( 0.757 1.442 -1.970) 2.556 11.946 ( -1.107 1.621 1.591) 2.526 12.028 ( 0.200 -1.785 2.765) 3.297 12.116 ( -0.007 -1.877 -2.430) 3.071 15.436 ( 0.096 3.183 1.621) 3.573 15.515 ( 0.055 3.194 -2.647) 4.148 15.677 ( 0.016 -1.773 3.064) 3.540 15.769 ( 0.007 -1.564 -1.896) 2.458 15.876 ( 0.287 -0.056 3.350) 3.363 15.918 ( -0.917 -0.588 3.948) 4.095 15.991 ( -0.931 -0.375 -3.840) 3.969 16.017 ( 0.181 -0.185 -4.515) 4.522 16.310 ( -0.213 2.683 0.468) 2.732 16.369 ( -1.693 1.718 -0.317) 2.432 16.674 ( 2.709 -4.804 4.882) 7.365 16.738 ( 4.543 -5.933 -2.237) 7.800 ======================= Grid point 106 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -2.824 6.556 18.382) 19.719 0.941 ( -5.357 1.497 14.625) 15.647 1.166 ( 0.848 -0.964 -3.989) 4.191 1.297 ( -5.006 4.787 -8.392) 10.881 1.351 ( -6.695 9.770 -2.607) 12.128 1.416 ( 0.423 7.067 -10.113) 12.345 1.773 ( 1.206 -1.061 10.770) 10.889 1.937 ( -0.816 -1.408 -4.042) 4.358 2.199 ( -2.591 3.445 12.968) 13.665 2.220 ( 4.271 -5.096 5.393) 8.561 2.269 ( -1.521 -4.193 0.881) 4.547 2.372 ( 2.353 -2.570 -0.391) 3.507 2.468 ( -0.813 0.929 0.857) 1.502 2.562 ( 0.616 -2.162 -2.139) 3.103 2.607 ( -1.441 4.538 5.511) 7.283 2.708 ( -0.205 -6.004 2.851) 6.650 2.793 ( 1.063 -4.369 3.968) 5.997 2.804 ( -0.287 -8.881 -2.688) 9.284 2.952 ( -3.094 -3.338 -6.018) 7.545 2.961 ( 1.080 7.584 -15.866) 17.619 3.109 ( 0.620 1.141 -1.911) 2.310 3.129 ( -0.639 1.427 -0.850) 1.779 3.290 ( -2.251 5.570 3.716) 7.064 3.343 ( 1.754 6.797 -4.025) 8.091 3.904 ( -0.726 0.319 6.927) 6.972 3.951 ( 1.897 1.228 3.409) 4.090 3.974 ( 2.176 -0.127 -4.083) 4.628 3.991 ( -1.396 1.364 1.719) 2.601 4.057 ( 2.145 -1.941 2.394) 3.755 4.166 ( 1.092 2.988 0.223) 3.189 4.183 ( -2.926 0.472 -3.173) 4.342 4.284 ( -0.368 -0.200 -6.079) 6.094 4.394 ( -3.240 3.285 0.146) 4.616 4.448 ( 1.765 -0.397 -3.084) 3.575 4.486 ( -1.958 -1.810 4.986) 5.654 4.653 ( 6.743 -0.812 6.565) 9.446 4.676 ( 0.910 -1.079 -10.672) 10.765 4.910 ( -4.643 -0.898 -4.947) 6.844 5.096 ( 0.733 -1.957 -3.369) 3.965 5.113 ( -1.740 0.266 6.240) 6.483 5.198 ( -0.349 0.555 1.001) 1.196 5.331 ( 0.345 0.061 -4.530) 4.543 5.749 ( 0.070 -2.185 5.041) 5.494 5.759 ( -0.601 -1.927 5.987) 6.318 5.855 ( 2.405 -1.270 1.420) 3.068 5.959 ( 1.702 1.404 -7.078) 7.414 6.084 ( 0.625 0.199 1.209) 1.375 6.146 ( 1.745 0.076 -3.941) 4.311 6.240 ( -1.188 4.657 6.124) 7.784 6.334 ( 2.618 0.654 -3.226) 4.206 6.460 ( 1.768 -4.150 6.483) 7.898 6.622 ( -0.924 -4.707 -5.384) 7.211 7.006 ( 7.319 -1.303 2.399) 7.811 7.071 ( 5.977 0.072 0.239) 5.982 7.239 ( -6.085 -3.926 1.936) 7.496 7.277 ( -4.734 -1.649 -3.321) 6.014 7.541 ( 0.416 0.993 1.181) 1.598 7.591 ( -0.522 1.704 -2.765) 3.289 7.905 ( 0.129 -4.404 2.112) 4.886 7.957 ( -0.564 -4.883 -0.913) 4.999 8.159 ( 2.921 4.532 1.592) 5.622 8.303 ( -5.479 5.320 -2.011) 7.897 8.392 ( 0.570 0.758 1.527) 1.797 8.442 ( -2.031 2.652 1.564) 3.689 8.656 ( 0.471 -3.761 0.020) 3.790 8.713 ( -0.708 -1.953 -2.749) 3.445 8.760 ( 0.837 -0.068 4.257) 4.339 8.839 ( 0.566 0.082 -3.298) 3.347 11.911 ( -1.406 0.910 1.207) 2.065 11.920 ( 1.103 0.850 -2.019) 2.452 12.065 ( 0.539 -1.164 3.316) 3.555 12.140 ( -0.391 -1.094 -2.317) 2.592 15.384 ( 0.104 2.380 1.533) 2.833 15.439 ( -0.437 3.792 -2.673) 4.660 15.727 ( 0.988 -2.401 2.822) 3.835 15.786 ( -0.223 -0.681 -1.509) 1.670 15.883 ( -0.084 -0.080 2.848) 2.851 15.927 ( -0.752 -0.557 3.002) 3.145 15.968 ( -1.241 1.075 -3.675) 4.025 16.016 ( -0.305 -0.206 -3.472) 3.492 16.273 ( 1.095 1.620 0.633) 2.055 16.320 ( -2.017 1.368 -0.432) 2.475 16.825 ( 2.983 -6.600 4.279) 8.412 16.892 ( 4.370 -5.802 -1.920) 7.513 ======================= Grid point 108 (52/72) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 8.001 -0.000 12.368) 14.730 1.003 ( 5.516 -0.000 13.838) 14.897 1.127 ( -1.805 0.000 -3.434) 3.879 1.255 ( 7.599 -0.000 4.853) 9.016 1.346 ( 12.732 -0.000 -9.901) 16.128 1.403 ( 9.429 -0.000 -14.884) 17.620 1.802 ( -3.219 0.000 16.606) 16.915 1.892 ( -2.328 0.000 -4.645) 5.196 2.070 ( -5.253 0.000 22.097) 22.713 2.199 ( -6.291 0.000 2.297) 6.697 2.287 ( -7.426 0.000 -2.015) 7.695 2.407 ( -0.111 0.000 -2.109) 2.112 2.477 ( -4.002 0.000 3.213) 5.132 2.555 ( 5.537 -0.000 1.717) 5.797 2.672 ( 2.250 -0.000 1.391) 2.646 2.768 ( 2.228 -0.000 -13.880) 14.057 2.795 ( -0.268 0.000 9.069) 9.073 2.931 ( 2.558 -0.000 -6.376) 6.870 2.946 ( 0.739 -0.000 -8.016) 8.051 2.993 ( 4.536 -0.000 -3.310) 5.615 3.108 ( 0.015 -0.000 -2.954) 2.954 3.125 ( 4.369 -0.000 -1.970) 4.793 3.212 ( 0.030 -0.000 0.853) 0.853 3.266 ( 0.044 -0.000 -1.939) 1.939 3.842 ( -4.593 0.000 6.454) 7.922 3.971 ( -0.162 0.000 0.886) 0.901 4.002 ( 0.216 -0.000 -0.809) 0.837 4.078 ( 6.308 -0.000 1.046) 6.394 4.087 ( -1.461 0.000 -2.168) 2.615 4.114 ( 1.151 -0.000 -1.634) 1.998 4.150 ( 0.863 -0.000 5.774) 5.838 4.194 ( -3.352 0.000 -6.978) 7.741 4.357 ( 0.368 -0.000 2.921) 2.945 4.460 ( 0.528 -0.000 -6.727) 6.748 4.507 ( -0.734 0.000 8.668) 8.699 4.654 ( -1.080 0.000 -6.992) 7.075 4.746 ( -3.500 0.000 -10.548) 11.114 4.864 ( 2.335 -0.000 6.922) 7.305 5.013 ( -3.442 0.000 5.200) 6.236 5.147 ( 2.740 -0.000 0.478) 2.781 5.256 ( 2.081 -0.000 4.278) 4.757 5.310 ( 0.009 -0.000 -8.049) 8.049 5.753 ( -2.488 0.000 5.095) 5.670 5.770 ( -2.071 0.000 9.375) 9.601 5.895 ( -1.728 0.000 -4.100) 4.450 5.952 ( -0.184 0.000 -7.679) 7.682 6.036 ( -2.983 0.000 1.137) 3.192 6.111 ( -1.417 0.000 -2.114) 2.545 6.198 ( -1.610 0.000 8.222) 8.378 6.283 ( -4.194 0.000 -4.249) 5.970 6.574 ( 0.412 -0.000 6.145) 6.159 6.619 ( -0.463 0.000 -7.455) 7.469 6.985 ( -6.832 0.000 0.184) 6.834 7.009 ( -8.049 0.000 -2.104) 8.319 7.353 ( 7.648 -0.000 -3.173) 8.280 7.372 ( 3.950 -0.000 -2.340) 4.591 7.510 ( 1.415 -0.000 2.888) 3.216 7.570 ( 2.894 -0.000 0.118) 2.897 8.006 ( -4.171 0.000 4.123) 5.865 8.021 ( 1.392 -0.000 -2.559) 2.913 8.097 ( 1.133 -0.000 -5.611) 5.724 8.221 ( 2.850 -0.000 5.099) 5.841 8.340 ( -0.560 0.000 2.144) 2.216 8.467 ( 4.036 -0.000 2.234) 4.613 8.633 ( -4.628 0.000 0.721) 4.684 8.696 ( -1.395 0.000 3.240) 3.528 8.794 ( 0.501 -0.000 -0.754) 0.905 8.848 ( 1.392 -0.000 -3.713) 3.966 11.872 ( -0.894 0.000 1.206) 1.501 11.943 ( 1.479 -0.000 -1.805) 2.333 12.105 ( 0.309 -0.000 3.286) 3.300 12.121 ( -0.810 0.000 -2.269) 2.409 15.367 ( -0.612 0.000 -0.594) 0.852 15.389 ( 0.978 -0.000 1.321) 1.643 15.768 ( -1.705 0.000 0.147) 1.711 15.781 ( -0.291 0.000 -1.420) 1.449 15.871 ( -0.285 0.000 4.158) 4.168 15.948 ( 1.667 -0.000 -2.981) 3.415 15.990 ( 3.858 -0.000 1.833) 4.271 16.013 ( 1.138 -0.000 -3.113) 3.315 16.261 ( -0.936 0.000 -0.836) 1.256 16.316 ( 2.614 -0.000 1.034) 2.812 16.848 ( -9.963 0.000 1.687) 10.105 16.864 ( -6.511 0.000 1.778) 6.749 ======================= Grid point 109 (53/72) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 5.325 -1.927 4.160) 7.027 1.092 ( -1.436 -1.385 -0.055) 1.996 1.139 ( 4.600 -3.578 12.108) 13.438 1.332 ( 9.334 1.966 -12.326) 15.586 1.398 ( 9.540 -2.413 4.479) 10.812 1.658 ( 11.892 -9.373 -9.633) 17.946 1.817 ( 1.454 -0.980 9.600) 9.759 1.859 ( 0.044 0.599 -5.135) 5.170 2.096 ( -6.657 1.748 2.348) 7.272 2.140 ( -3.292 -4.936 17.700) 18.668 2.185 ( -7.830 1.826 -0.076) 8.041 2.357 ( 2.229 3.988 -2.306) 5.118 2.453 ( -5.335 -0.478 3.571) 6.438 2.589 ( 1.325 1.981 1.810) 2.993 2.645 ( 1.338 3.772 -1.852) 4.410 2.760 ( 1.770 4.013 6.439) 7.791 2.785 ( -0.602 2.407 -1.527) 2.913 2.882 ( 1.613 6.492 -6.298) 9.188 2.945 ( 1.692 -4.566 -10.848) 11.891 3.005 ( 4.432 0.812 -0.718) 4.562 3.136 ( 2.456 -1.483 -2.871) 4.059 3.175 ( 0.521 -1.140 -0.503) 1.351 3.257 ( 2.578 -4.771 1.030) 5.520 3.337 ( -2.278 -5.668 -1.667) 6.332 3.808 ( -4.762 -0.464 6.094) 7.748 3.932 ( -2.033 2.367 0.880) 3.242 3.997 ( 0.679 1.732 -2.058) 2.774 4.072 ( 0.516 0.002 -2.618) 2.668 4.095 ( -4.451 0.063 -5.310) 6.929 4.164 ( 4.273 -2.629 0.364) 5.031 4.172 ( 1.011 -0.308 5.129) 5.237 4.228 ( 1.893 -3.415 -0.895) 4.006 4.381 ( 0.920 -1.640 1.439) 2.368 4.453 ( -0.448 0.330 -1.348) 1.459 4.500 ( -0.882 0.820 6.335) 6.449 4.627 ( -2.885 -0.480 -5.333) 6.082 4.691 ( 2.651 2.782 -6.175) 7.273 4.884 ( -0.139 -0.199 3.793) 3.801 5.004 ( -2.080 -0.654 3.620) 4.226 5.188 ( 4.308 -0.644 0.941) 4.457 5.280 ( 3.908 0.366 3.222) 5.078 5.298 ( -0.075 -0.118 -8.593) 8.594 5.688 ( -2.255 2.485 4.433) 5.560 5.794 ( -5.289 -1.793 1.093) 5.691 5.834 ( 0.806 2.344 1.860) 3.099 5.916 ( -4.888 1.510 -5.715) 7.670 6.032 ( -2.447 -2.354 -0.418) 3.421 6.097 ( -1.719 0.494 -0.034) 1.789 6.232 ( -0.147 -3.846 4.072) 5.603 6.293 ( -3.272 -4.797 -1.100) 5.910 6.534 ( -1.300 4.397 4.052) 6.119 6.552 ( -0.249 4.931 -5.977) 7.753 6.906 ( -5.910 2.066 -1.519) 6.442 6.967 ( -5.434 -2.552 -0.709) 6.045 7.307 ( 1.271 4.559 -0.110) 4.734 7.392 ( 3.689 2.934 -1.601) 4.978 7.586 ( 4.379 2.454 -1.251) 5.173 7.589 ( 3.043 -3.036 -0.058) 4.298 7.882 ( 0.211 5.684 1.913) 6.001 8.034 ( 0.924 3.566 -3.378) 4.999 8.133 ( -0.482 -6.229 -2.064) 6.579 8.323 ( -3.028 -6.710 2.216) 7.688 8.358 ( 2.908 -0.313 3.588) 4.629 8.508 ( 2.540 0.018 5.703) 6.243 8.572 ( -1.817 2.085 -0.187) 2.772 8.688 ( -0.370 0.602 2.606) 2.701 8.796 ( -0.160 -0.471 -0.797) 0.939 8.842 ( 0.921 1.466 -3.777) 4.155 11.875 ( -0.530 -0.791 1.384) 1.680 11.963 ( 1.134 -1.043 -1.999) 2.524 12.094 ( -0.245 1.383 1.654) 2.170 12.106 ( -0.207 0.951 -0.746) 1.226 15.374 ( -0.534 -1.587 1.332) 2.139 15.445 ( 0.654 -4.148 -0.863) 4.287 15.731 ( -1.841 1.838 1.582) 3.045 15.767 ( -0.409 0.996 -1.229) 1.634 15.875 ( 0.573 0.190 3.863) 3.910 15.951 ( 1.197 0.696 -0.327) 1.423 16.005 ( 1.483 0.907 -2.251) 2.844 16.042 ( 2.991 -0.236 -2.855) 4.141 16.271 ( 0.076 -1.902 -0.336) 1.933 16.356 ( 2.668 -1.221 0.665) 3.009 16.714 ( -8.011 4.119 4.598) 10.114 16.768 ( -7.430 2.854 -1.331) 8.070 ======================= Grid point 110 (54/72) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.154 -0.909 -1.008) 1.366 1.149 ( 0.884 -1.905 -1.000) 2.326 1.318 ( 4.036 -8.391 6.218) 11.196 1.423 ( 11.082 -2.209 -6.363) 12.968 1.514 ( 0.268 -5.402 8.883) 10.400 1.756 ( -0.860 2.630 -2.274) 3.582 1.886 ( 2.069 0.320 -3.658) 4.215 1.936 ( 8.609 -4.347 -4.353) 10.581 2.048 ( 1.178 -0.518 0.487) 1.375 2.059 ( -2.598 1.872 -2.352) 3.973 2.258 ( -0.367 -2.992 4.170) 5.145 2.303 ( -2.683 3.357 3.295) 5.416 2.403 ( -4.866 -0.959 5.107) 7.119 2.501 ( 1.404 5.947 -0.696) 6.150 2.585 ( -0.695 2.869 -0.163) 2.957 2.689 ( 1.197 5.613 -1.740) 5.997 2.711 ( -1.009 8.937 -2.305) 9.285 2.731 ( -1.119 3.031 4.217) 5.312 3.033 ( 3.459 0.419 2.195) 4.118 3.111 ( 2.007 -8.972 -5.007) 10.469 3.183 ( 3.379 -1.654 3.073) 4.858 3.232 ( 0.538 -4.019 -3.421) 5.305 3.322 ( 0.570 -0.824 0.860) 1.320 3.418 ( -2.609 -4.588 -0.874) 5.350 3.790 ( -3.366 -0.697 5.202) 6.235 3.879 ( -3.237 0.121 0.143) 3.242 3.921 ( -2.834 4.027 -2.545) 5.543 4.057 ( -3.034 -0.449 -2.680) 4.073 4.099 ( 2.529 -2.038 -2.114) 3.876 4.179 ( 0.555 1.107 3.459) 3.674 4.242 ( 1.456 -1.861 0.678) 2.458 4.297 ( 2.504 -2.318 -1.177) 3.610 4.372 ( -3.137 1.819 -1.359) 3.872 4.444 ( 0.366 0.781 3.539) 3.643 4.528 ( 1.074 -3.026 4.291) 5.359 4.619 ( -0.222 -0.245 -7.242) 7.250 4.679 ( 3.981 1.889 1.241) 4.578 4.904 ( 2.235 -1.436 0.492) 2.702 4.985 ( -3.046 0.936 2.188) 3.865 5.221 ( 1.890 0.844 -3.537) 4.098 5.290 ( 2.368 0.008 -1.503) 2.804 5.351 ( 4.612 -2.370 -0.042) 5.186 5.654 ( -1.721 0.878 0.924) 2.141 5.726 ( -2.212 0.519 -1.509) 2.727 5.804 ( -7.222 3.054 -2.387) 8.197 5.887 ( 0.929 -3.739 4.948) 6.271 6.049 ( -4.350 -0.719 -1.959) 4.825 6.085 ( -0.314 -2.796 -0.873) 2.946 6.323 ( -0.437 -3.311 3.969) 5.187 6.341 ( -0.623 -0.850 -0.287) 1.092 6.430 ( -1.396 5.335 2.422) 6.023 6.459 ( 0.018 1.471 -6.035) 6.212 6.839 ( -3.374 -0.083 1.169) 3.572 6.964 ( -3.718 -1.754 -2.598) 4.863 7.236 ( 2.019 5.093 0.404) 5.494 7.338 ( 1.247 4.566 1.632) 5.007 7.554 ( 3.311 3.841 -2.181) 5.520 7.638 ( 0.266 -0.424 -1.781) 1.850 7.818 ( 1.758 2.195 0.927) 2.961 7.994 ( -0.075 1.287 -2.339) 2.671 8.235 ( 0.119 -4.977 -2.569) 5.602 8.369 ( -1.982 -1.936 1.700) 3.251 8.419 ( 0.375 -2.206 3.137) 3.853 8.511 ( -1.381 -0.335 4.644) 4.856 8.553 ( 3.549 1.885 1.648) 4.343 8.676 ( 0.671 0.721 1.324) 1.650 8.799 ( -0.482 2.344 -3.301) 4.077 8.812 ( -0.201 -0.921 -0.248) 0.975 11.895 ( -0.134 -1.499 1.650) 2.234 11.994 ( 0.222 -1.668 -2.430) 2.956 12.063 ( -0.013 1.795 1.176) 2.146 12.076 ( 0.075 2.006 -0.334) 2.035 15.414 ( -0.513 -2.779 2.375) 3.691 15.529 ( 0.035 -4.219 -2.687) 5.002 15.682 ( -1.107 1.991 3.297) 4.007 15.739 ( -0.081 1.354 -1.284) 1.868 15.881 ( 0.749 0.429 3.414) 3.521 15.944 ( 0.196 0.918 1.711) 1.952 15.994 ( 1.005 0.960 -3.059) 3.360 16.044 ( 1.317 1.253 -4.257) 4.629 16.331 ( 1.405 -3.245 -0.173) 3.540 16.400 ( 2.035 -0.836 0.134) 2.204 16.591 ( -4.653 2.981 4.305) 7.005 16.654 ( -5.063 2.300 -2.149) 5.962 ======================= Grid point 111 (55/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.317 -0.782 1.077) 1.368 1.158 ( -0.268 0.852 -1.989) 2.181 1.481 ( 1.931 -3.402 -1.888) 4.344 1.525 ( 3.405 -1.654 4.757) 6.079 1.665 ( 2.878 -3.618 11.584) 12.472 1.687 ( -1.138 0.647 -5.617) 5.767 1.828 ( -2.481 1.511 -5.206) 5.961 1.999 ( -2.465 -0.817 -4.953) 5.592 2.038 ( 5.698 3.184 -3.250) 7.291 2.110 ( 1.285 1.218 -0.855) 1.966 2.164 ( 3.072 5.436 -1.014) 6.326 2.276 ( 1.348 -0.063 -2.588) 2.919 2.407 ( -2.170 3.872 0.985) 4.546 2.462 ( -0.698 -0.170 5.693) 5.738 2.518 ( -4.445 -0.328 -1.575) 4.727 2.572 ( 1.434 -0.067 3.199) 3.507 2.617 ( -3.468 4.299 0.975) 5.609 2.683 ( -0.560 -0.789 -1.326) 1.642 3.066 ( 5.837 0.188 -1.079) 5.939 3.161 ( -2.655 3.532 6.145) 7.569 3.272 ( -2.471 -1.183 3.138) 4.166 3.296 ( 1.894 -2.603 -2.911) 4.340 3.369 ( 4.297 -3.232 -0.023) 5.377 3.435 ( -2.476 -0.884 -0.056) 2.629 3.803 ( -0.522 -2.451 5.483) 6.028 3.835 ( -0.303 0.485 -0.112) 0.583 3.897 ( -2.564 -2.922 -2.028) 4.385 4.033 ( -1.646 0.557 0.094) 1.741 4.139 ( -1.142 2.854 -0.183) 3.079 4.180 ( 3.204 -3.239 -0.700) 4.609 4.258 ( -2.186 -0.327 1.145) 2.489 4.315 ( -1.877 0.760 -2.116) 2.929 4.353 ( 0.577 -1.415 1.729) 2.308 4.445 ( 0.416 -0.499 -0.091) 0.656 4.581 ( -0.840 -1.435 0.411) 1.713 4.595 ( 3.502 3.097 -7.510) 8.846 4.678 ( 1.678 1.907 4.921) 5.538 4.923 ( -3.865 1.705 -0.364) 4.240 4.979 ( 4.368 -2.533 0.552) 5.080 5.194 ( -1.150 1.165 -4.054) 4.372 5.312 ( 2.836 1.367 0.820) 3.253 5.408 ( 1.318 0.683 -1.287) 1.965 5.618 ( -2.046 -0.888 0.760) 2.356 5.694 ( -4.017 1.481 -1.048) 4.408 5.778 ( 4.317 -2.796 -0.213) 5.148 5.972 ( -1.155 -3.182 2.672) 4.312 6.032 ( -1.925 -3.116 -0.029) 3.662 6.163 ( -0.554 -5.761 -3.793) 6.920 6.257 ( -0.075 5.381 4.102) 6.766 6.294 ( -0.227 5.711 1.861) 6.011 6.427 ( 0.951 -2.644 -3.316) 4.346 6.470 ( -1.311 -1.283 -2.065) 2.762 6.861 ( -1.667 -4.188 3.540) 5.732 6.970 ( -1.529 -2.368 -3.517) 4.507 7.147 ( 3.733 6.889 0.899) 7.887 7.271 ( -2.552 2.278 2.327) 4.137 7.523 ( 2.831 1.671 -3.350) 4.693 7.620 ( -1.957 0.538 -1.658) 2.621 7.823 ( 3.225 0.325 -0.542) 3.286 7.961 ( -2.213 1.083 -1.292) 2.782 8.297 ( -0.365 -1.451 0.339) 1.534 8.389 ( -0.488 -1.628 -0.106) 1.703 8.444 ( 0.751 -0.096 3.265) 3.351 8.534 ( -0.060 -1.926 -1.039) 2.189 8.540 ( 1.808 2.328 4.372) 5.273 8.685 ( 0.850 -0.212 1.629) 1.849 8.734 ( -1.063 2.717 -1.430) 3.249 8.829 ( -0.821 -1.085 -0.903) 1.633 11.931 ( 0.210 -1.928 1.842) 2.674 12.005 ( -1.053 0.528 -0.869) 1.463 12.035 ( -0.135 2.008 0.398) 2.051 12.049 ( 1.026 -0.254 -1.478) 1.817 15.466 ( 0.166 -2.399 2.227) 3.277 15.565 ( -1.548 -0.144 -0.019) 1.555 15.666 ( 0.517 -0.347 0.062) 0.625 15.718 ( 0.264 0.542 -1.083) 1.240 15.881 ( 0.316 0.511 3.817) 3.864 15.925 ( -0.839 0.984 3.068) 3.330 15.984 ( 0.873 0.446 -3.717) 3.844 16.026 ( 0.585 0.792 -4.811) 4.911 16.378 ( -0.118 -0.219 1.284) 1.308 16.419 ( 1.162 0.510 -0.772) 1.485 16.555 ( -0.307 -1.741 1.497) 2.316 16.598 ( -2.269 -0.266 -0.491) 2.336 ======================= Grid point 112 (56/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.650 3.627 -0.188) 3.690 1.115 ( 0.166 1.426 -0.688) 1.592 1.394 ( 3.843 13.072 5.626) 14.741 1.535 ( 0.345 3.916 3.880) 5.523 1.669 ( -6.198 2.091 -2.959) 7.179 1.718 ( 4.422 0.160 2.179) 4.933 1.800 ( 0.826 2.346 -11.054) 11.330 1.844 ( -6.867 6.402 -1.345) 9.484 2.077 ( 2.925 0.110 -0.940) 3.074 2.078 ( 3.766 -1.613 -0.280) 4.106 2.241 ( 4.106 -5.085 -1.548) 6.717 2.266 ( -7.976 -5.699 3.107) 10.283 2.374 ( 5.658 1.684 -1.532) 6.099 2.468 ( -2.072 -2.045 2.018) 3.543 2.490 ( -0.071 -0.175 -4.096) 4.100 2.541 ( -4.522 -1.529 1.566) 5.024 2.676 ( 0.864 -4.858 2.976) 5.762 2.728 ( -1.167 -4.950 -0.351) 5.097 2.992 ( -4.111 10.636 12.669) 17.045 3.120 ( 5.582 0.416 -4.712) 7.317 3.215 ( -2.426 3.466 3.606) 5.559 3.289 ( -0.850 3.852 -4.501) 5.985 3.432 ( 0.098 -0.010 2.777) 2.779 3.457 ( 1.647 -1.182 -0.058) 2.028 3.868 ( 0.581 -3.337 0.533) 3.429 3.887 ( 1.284 -3.395 3.248) 4.871 3.934 ( 1.640 -1.808 -1.593) 2.915 4.016 ( -2.045 -0.155 2.904) 3.555 4.073 ( 1.179 3.018 -0.329) 3.257 4.231 ( -5.034 -0.852 -1.462) 5.310 4.253 ( 3.029 -0.878 -2.194) 3.841 4.275 ( -1.284 2.035 -0.900) 2.570 4.379 ( -1.039 -1.753 5.055) 5.450 4.463 ( -0.344 -0.995 -2.991) 3.170 4.531 ( 1.955 4.340 -5.338) 7.152 4.599 ( -0.653 -1.076 -3.103) 3.348 4.657 ( 1.960 2.132 5.175) 5.930 4.872 ( -2.794 -0.235 -5.158) 5.871 5.055 ( 3.000 -1.249 1.723) 3.678 5.155 ( -1.872 1.196 -1.446) 2.650 5.278 ( 0.437 3.547 1.949) 4.071 5.364 ( -0.799 2.161 -3.277) 4.005 5.640 ( -1.508 -2.184 3.597) 4.470 5.692 ( 1.729 -1.696 -2.561) 3.525 5.861 ( 4.138 -0.865 2.092) 4.717 5.989 ( -2.890 -2.030 -2.151) 4.135 6.103 ( 0.267 -1.074 2.567) 2.795 6.169 ( 1.221 3.422 -0.870) 3.736 6.239 ( 1.233 -2.230 3.585) 4.398 6.291 ( -0.743 -6.766 -0.930) 6.870 6.424 ( -1.287 2.753 0.746) 3.129 6.471 ( 0.882 0.019 -4.728) 4.810 6.952 ( -0.463 -5.578 3.640) 6.676 7.017 ( 2.103 -2.141 -3.299) 4.460 7.087 ( 2.374 1.769 2.691) 4.001 7.211 ( -5.046 0.261 -0.456) 5.074 7.541 ( 3.664 -0.707 -3.741) 5.284 7.592 ( -3.093 -0.315 -1.755) 3.570 7.850 ( 3.717 0.199 -0.890) 3.827 7.909 ( -3.747 1.247 0.040) 3.949 8.290 ( 0.437 1.846 3.351) 3.850 8.398 ( -1.393 0.210 -3.194) 3.490 8.464 ( 0.699 -0.356 5.094) 5.154 8.508 ( 2.473 3.174 3.614) 5.409 8.576 ( -0.459 -2.708 -3.263) 4.265 8.647 ( -3.383 1.481 -1.333) 3.926 8.735 ( 2.293 -0.734 4.109) 4.762 8.834 ( -0.963 -0.640 -2.115) 2.411 11.960 ( -0.656 0.135 1.073) 1.265 11.971 ( 0.142 1.627 -0.048) 1.634 12.012 ( 0.632 -0.044 1.465) 1.596 12.075 ( -0.151 -1.882 -2.623) 3.232 15.490 ( 0.580 1.482 1.907) 2.483 15.541 ( -1.121 0.322 0.149) 1.175 15.669 ( 0.891 0.436 0.422) 1.078 15.730 ( -0.511 -1.665 -2.033) 2.677 15.881 ( -0.633 0.064 4.818) 4.859 15.911 ( -0.453 0.019 3.715) 3.742 15.982 ( 0.629 0.106 -4.353) 4.399 16.015 ( 0.509 0.239 -5.352) 5.381 16.356 ( -0.127 1.954 1.610) 2.535 16.395 ( -0.212 2.140 -1.143) 2.435 16.609 ( -0.473 -3.452 3.258) 4.770 16.651 ( 1.613 -5.586 -1.819) 6.092 ======================= Grid point 113 (57/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.622 7.060 6.132) 9.372 1.079 ( 2.486 4.254 -0.279) 4.935 1.199 ( 2.375 9.876 7.275) 12.494 1.390 ( -2.933 9.093 -7.081) 11.892 1.465 ( -6.466 9.348 1.427) 11.456 1.612 ( 6.524 10.532 -8.848) 15.224 1.767 ( -0.219 -1.139 5.485) 5.606 1.868 ( -0.583 -4.071 -5.373) 6.767 2.137 ( -1.877 -5.047 0.423) 5.401 2.147 ( 2.119 -4.764 0.076) 5.215 2.292 ( -2.626 0.364 7.062) 7.543 2.345 ( 1.693 1.057 0.601) 2.084 2.418 ( -1.539 -4.631 2.423) 5.449 2.514 ( 0.571 -4.852 -5.443) 7.314 2.575 ( -2.868 -6.046 0.888) 6.751 2.580 ( 2.275 -6.487 0.887) 6.932 2.740 ( -1.656 -2.224 7.576) 8.068 2.800 ( 1.026 6.659 9.721) 11.828 2.831 ( 0.237 -5.321 -2.128) 5.736 3.095 ( 1.481 6.166 -12.655) 14.155 3.141 ( -0.504 2.167 1.333) 2.594 3.192 ( 1.580 4.640 -3.405) 5.968 3.376 ( -2.906 4.443 5.780) 7.848 3.458 ( 1.726 3.461 -2.287) 4.494 3.902 ( -1.851 0.099 3.376) 3.851 3.942 ( -0.851 -2.349 0.188) 2.505 3.973 ( 0.300 -0.901 -1.177) 1.512 4.009 ( 1.545 -0.291 -3.549) 3.881 4.072 ( 3.547 0.842 7.322) 8.180 4.198 ( -2.943 0.518 -4.099) 5.073 4.213 ( 0.399 2.879 1.229) 3.155 4.272 ( 0.110 0.166 -4.716) 4.720 4.418 ( -2.059 -1.229 5.253) 5.774 4.441 ( -0.265 1.231 1.259) 1.781 4.478 ( 1.620 1.924 -3.581) 4.376 4.625 ( -0.434 -3.326 -9.867) 10.421 4.667 ( 1.113 -0.703 8.587) 8.687 4.862 ( -0.467 -0.731 -8.580) 8.624 5.086 ( -0.068 -0.570 1.615) 1.714 5.112 ( -0.802 1.589 -0.277) 1.801 5.225 ( 0.283 2.246 4.498) 5.035 5.333 ( 0.198 0.541 -4.943) 4.977 5.680 ( -1.898 -2.978 4.630) 5.823 5.743 ( 2.264 -2.008 -1.326) 3.304 5.880 ( 1.164 1.605 3.791) 4.278 5.984 ( -1.072 -0.148 -5.068) 5.182 6.091 ( -0.431 1.114 2.632) 2.890 6.146 ( 0.191 -0.175 -2.905) 2.916 6.326 ( -1.510 4.486 5.516) 7.269 6.368 ( -0.265 -1.751 0.564) 1.858 6.379 ( 3.279 -4.669 2.660) 6.295 6.500 ( -0.552 -4.900 -7.211) 8.736 7.035 ( -2.858 -3.366 2.661) 5.155 7.069 ( 4.668 -0.176 0.240) 4.677 7.132 ( 0.410 -4.293 1.421) 4.541 7.192 ( -2.203 -2.851 -3.201) 4.820 7.566 ( -1.555 0.493 -1.255) 2.058 7.592 ( 2.262 -1.201 -3.280) 4.162 7.851 ( -3.138 -0.116 2.464) 3.992 7.899 ( 3.293 -1.612 -2.315) 4.337 8.260 ( 1.903 3.063 4.261) 5.582 8.341 ( -3.024 3.266 -3.939) 5.944 8.448 ( 0.942 2.175 4.288) 4.900 8.483 ( -0.123 3.140 2.137) 3.800 8.596 ( -1.640 -1.695 1.422) 2.754 8.644 ( -1.054 -3.416 -2.347) 4.277 8.773 ( 1.794 -0.442 3.143) 3.646 8.834 ( -0.406 -0.477 -2.976) 3.041 11.922 ( -1.538 1.514 1.308) 2.524 11.953 ( 1.545 1.551 -1.739) 2.796 12.045 ( 0.574 -1.783 3.188) 3.698 12.103 ( -0.597 -1.840 -2.775) 3.383 15.440 ( -0.649 3.260 2.899) 4.411 15.509 ( 0.737 3.348 -4.250) 5.460 15.693 ( 0.430 -2.108 3.806) 4.372 15.753 ( -0.583 -1.642 -2.376) 2.946 15.877 ( -1.838 -0.212 5.038) 5.367 15.922 ( 0.211 -0.372 4.111) 4.133 15.978 ( 1.030 0.423 -5.044) 5.165 16.011 ( 0.750 0.075 -5.350) 5.402 16.322 ( 0.820 2.120 1.062) 2.509 16.342 ( -0.634 2.602 -1.072) 2.885 16.705 ( -1.016 -6.756 5.429) 8.726 16.781 ( 0.480 -7.032 -2.611) 7.516 ======================= Grid point 116 (58/72) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.333 0.000 -2.600) 2.921 1.075 ( 1.040 -0.000 2.720) 2.912 1.208 ( 8.963 -0.000 12.070) 15.034 1.390 ( 3.816 -0.000 1.260) 4.019 1.590 ( 13.891 -0.000 -10.555) 17.446 1.606 ( 11.507 -0.000 -2.472) 11.770 1.837 ( 4.722 -0.000 7.217) 8.624 1.867 ( 3.093 -0.000 -6.210) 6.938 2.035 ( -5.337 0.000 19.373) 20.094 2.072 ( -7.560 0.000 2.933) 8.109 2.168 ( -3.501 0.000 3.253) 4.779 2.398 ( -4.955 0.000 3.172) 5.883 2.407 ( 0.604 -0.000 -2.175) 2.257 2.605 ( -0.909 0.000 1.095) 1.423 2.701 ( 0.324 -0.000 1.909) 1.936 2.795 ( 4.052 -0.000 -16.197) 16.696 2.809 ( -0.466 0.000 6.629) 6.645 2.919 ( -1.822 0.000 -2.844) 3.378 2.953 ( 2.577 -0.000 -6.946) 7.408 3.029 ( -1.215 0.000 -2.951) 3.191 3.098 ( -0.411 0.000 -2.915) 2.944 3.195 ( -0.799 0.000 0.745) 1.093 3.248 ( 6.159 -0.000 -0.882) 6.222 3.268 ( 1.694 -0.000 0.975) 1.955 3.763 ( -5.332 0.000 6.705) 8.567 3.976 ( -0.049 0.000 3.075) 3.076 3.998 ( -1.881 0.000 -3.966) 4.390 4.033 ( -3.852 0.000 -7.989) 8.869 4.073 ( 0.488 -0.000 -1.320) 1.408 4.178 ( 3.495 -0.000 -4.029) 5.333 4.193 ( 1.918 -0.000 6.424) 6.704 4.221 ( 5.607 -0.000 5.334) 7.739 4.378 ( 0.889 -0.000 1.357) 1.622 4.443 ( -1.518 0.000 -3.167) 3.512 4.511 ( -1.051 0.000 7.010) 7.089 4.581 ( -3.073 0.000 -7.352) 7.969 4.742 ( 4.974 -0.000 -10.051) 11.214 4.876 ( -2.653 0.000 12.110) 12.397 4.986 ( -1.623 0.000 4.789) 5.056 5.224 ( 4.976 -0.000 0.399) 4.992 5.289 ( 0.838 -0.000 -10.489) 10.522 5.334 ( 5.693 -0.000 1.848) 5.986 5.697 ( -5.383 0.000 2.285) 5.848 5.718 ( -5.685 0.000 3.256) 6.551 5.849 ( -2.402 0.000 1.927) 3.079 5.895 ( -3.218 0.000 -7.295) 7.973 5.977 ( -3.565 0.000 2.896) 4.593 6.098 ( 0.290 -0.000 -2.251) 2.269 6.193 ( -1.044 0.000 5.784) 5.878 6.199 ( -2.982 0.000 -2.005) 3.593 6.563 ( -2.992 0.000 4.697) 5.569 6.595 ( 0.129 -0.000 -7.856) 7.857 6.882 ( -4.179 0.000 0.576) 4.219 6.882 ( -4.843 0.000 -1.765) 5.154 7.357 ( -2.639 0.000 0.054) 2.639 7.400 ( 0.069 -0.000 -4.650) 4.650 7.622 ( 7.795 -0.000 0.548) 7.814 7.682 ( 7.535 -0.000 0.037) 7.535 7.964 ( -2.089 0.000 3.867) 4.395 8.039 ( 1.321 -0.000 -5.501) 5.657 8.090 ( 0.284 -0.000 -4.862) 4.870 8.204 ( -4.870 0.000 4.907) 6.913 8.390 ( 3.387 -0.000 4.553) 5.675 8.526 ( -1.823 0.000 7.897) 8.105 8.588 ( 2.695 -0.000 -3.461) 4.387 8.695 ( 0.179 -0.000 5.074) 5.077 8.784 ( -0.873 0.000 -2.609) 2.751 8.864 ( 1.251 -0.000 -4.270) 4.449 11.867 ( -0.073 0.000 1.572) 1.574 11.958 ( 0.510 -0.000 -2.287) 2.343 12.107 ( 0.116 -0.000 -1.662) 1.666 12.112 ( -0.402 0.000 2.836) 2.864 15.362 ( 0.213 -0.000 0.077) 0.226 15.404 ( 0.211 -0.000 1.241) 1.259 15.728 ( -2.408 0.000 1.688) 2.940 15.773 ( -0.146 0.000 -1.769) 1.775 15.885 ( 0.257 -0.000 4.530) 4.537 15.971 ( 1.667 -0.000 -3.711) 4.068 16.032 ( 1.554 -0.000 -1.999) 2.532 16.066 ( 3.700 -0.000 -0.758) 3.777 16.256 ( 0.905 -0.000 0.173) 0.922 16.371 ( 2.871 -0.000 1.055) 3.059 16.676 ( -8.991 0.000 4.099) 9.881 16.715 ( -8.742 0.000 -1.478) 8.866 ======================= Grid point 117 (59/72) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.696 -1.200 -0.732) 1.568 1.103 ( -0.377 -2.141 -0.422) 2.215 1.302 ( 7.485 -0.838 6.827) 10.165 1.437 ( 1.263 -2.794 5.067) 5.922 1.582 ( 11.331 4.713 -5.473) 13.437 1.758 ( 1.390 -1.763 -2.440) 3.316 1.892 ( -1.319 -0.545 0.506) 1.514 1.935 ( 3.571 -1.874 -7.400) 8.428 2.010 ( 1.718 -1.951 5.197) 5.811 2.090 ( 1.099 -3.423 7.504) 8.321 2.155 ( 2.025 -1.019 8.170) 8.479 2.344 ( -5.200 2.327 1.810) 5.977 2.391 ( 0.361 1.410 -0.158) 1.464 2.567 ( -4.487 1.934 0.076) 4.887 2.656 ( -0.644 4.260 0.288) 4.318 2.749 ( -1.521 3.621 -4.362) 5.870 2.804 ( 0.852 3.038 4.046) 5.130 2.876 ( 0.351 5.668 -5.880) 8.174 2.978 ( 3.870 -5.540 -7.502) 10.097 3.050 ( 0.685 -2.293 0.003) 2.393 3.135 ( -1.410 -4.523 -2.739) 5.472 3.189 ( -0.341 -0.926 2.040) 2.266 3.301 ( 0.482 -1.198 1.378) 1.889 3.327 ( 3.222 -2.957 -2.198) 4.894 3.737 ( -4.432 -1.178 7.039) 8.401 3.885 ( -3.646 3.635 -1.822) 5.461 3.978 ( -1.857 2.449 -5.223) 6.060 4.011 ( -1.449 0.665 0.914) 1.838 4.092 ( 2.678 -1.215 -1.682) 3.388 4.205 ( 1.790 -0.181 1.795) 2.541 4.228 ( 0.837 -0.960 0.890) 1.554 4.296 ( 3.855 -1.324 1.270) 4.269 4.378 ( -1.249 0.958 0.042) 1.575 4.448 ( 0.333 -1.902 0.706) 2.056 4.495 ( -0.547 0.237 4.682) 4.720 4.578 ( -0.644 -2.252 -6.258) 6.682 4.762 ( 5.256 1.973 -1.713) 5.870 4.884 ( -1.074 -1.860 5.760) 6.148 4.977 ( -1.753 0.260 4.340) 4.688 5.244 ( 0.549 1.105 -8.496) 8.585 5.315 ( 5.797 -0.853 -2.336) 6.308 5.387 ( 6.448 0.220 1.185) 6.559 5.631 ( -7.358 0.659 -0.385) 7.397 5.678 ( -4.740 -1.589 0.659) 5.042 5.795 ( -4.988 2.713 -0.580) 5.708 5.871 ( 1.599 -0.816 2.226) 2.859 5.970 ( -3.636 -1.847 -0.824) 4.161 6.075 ( -0.910 1.359 -1.353) 2.122 6.237 ( -1.180 -4.859 2.635) 5.652 6.245 ( -0.638 -5.196 0.298) 5.243 6.497 ( -3.038 3.904 3.069) 5.821 6.542 ( 0.607 4.391 -5.170) 6.810 6.829 ( -2.274 1.102 -0.514) 2.579 6.885 ( -3.244 -2.581 -1.006) 4.265 7.308 ( -0.166 2.237 0.072) 2.245 7.394 ( -1.572 0.706 -2.438) 2.985 7.672 ( 4.894 2.323 -0.294) 5.425 7.685 ( 4.975 5.088 -0.331) 7.124 7.895 ( 0.440 3.893 2.123) 4.456 8.011 ( -1.826 1.820 -3.556) 4.392 8.148 ( 2.524 -4.825 -3.504) 6.475 8.240 ( -5.312 -5.888 1.980) 8.173 8.428 ( 2.345 -0.387 4.796) 5.353 8.507 ( -2.202 0.296 5.601) 6.026 8.614 ( 3.774 0.615 0.380) 3.843 8.700 ( 0.917 0.789 3.279) 3.496 8.778 ( -1.329 -0.885 -2.096) 2.635 8.847 ( 0.609 2.158 -4.330) 4.876 11.877 ( 0.312 -0.753 1.801) 1.977 11.965 ( -0.273 -0.914 -2.716) 2.879 12.094 ( -0.114 1.298 1.448) 1.948 12.105 ( 0.209 0.891 -0.200) 0.936 15.376 ( 0.335 -1.328 1.785) 2.250 15.446 ( -0.336 -3.717 -0.965) 3.855 15.701 ( -1.748 0.996 3.159) 3.745 15.761 ( 0.133 0.888 -2.036) 2.225 15.893 ( 0.109 -0.017 4.191) 4.192 15.971 ( 1.200 1.008 -2.585) 3.023 16.027 ( 1.458 1.502 -1.628) 2.652 16.079 ( 1.375 1.427 -2.818) 3.445 16.296 ( 2.774 -2.275 1.209) 3.785 16.405 ( 2.192 -0.767 0.645) 2.411 16.589 ( -6.500 1.559 4.034) 7.808 16.626 ( -6.612 0.985 -2.722) 7.218 ======================= Grid point 118 (60/72) ======================= q-point: ( 0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.381 -1.826 0.965) 2.101 1.137 ( -1.083 -2.033 -1.431) 2.711 1.399 ( 3.047 -3.630 2.849) 5.530 1.501 ( -3.052 -4.059 3.218) 6.012 1.654 ( 12.808 -0.701 -0.975) 12.865 1.743 ( -0.563 2.794 1.002) 3.021 1.822 ( -6.593 1.221 0.524) 6.726 1.953 ( -2.115 -2.352 -7.691) 8.316 2.100 ( 3.438 0.995 1.435) 3.856 2.165 ( 6.480 0.839 2.729) 7.081 2.243 ( 0.257 0.891 -4.206) 4.307 2.301 ( -1.520 -7.152 9.942) 12.341 2.352 ( 2.116 3.320 -3.294) 5.133 2.457 ( -5.010 3.808 0.825) 6.347 2.565 ( -1.876 3.490 2.547) 4.711 2.670 ( -1.687 3.110 -2.562) 4.368 2.712 ( 0.079 7.568 -0.446) 7.582 2.722 ( 0.803 8.876 -1.923) 9.117 3.114 ( 2.775 -1.997 3.648) 5.000 3.148 ( 4.788 -6.309 -1.267) 8.021 3.208 ( -2.829 -2.445 1.364) 3.980 3.223 ( -0.547 -5.212 -4.048) 6.622 3.337 ( 0.695 -2.264 0.604) 2.444 3.385 ( -0.577 -1.929 -1.766) 2.678 3.742 ( -3.565 -2.138 6.466) 7.687 3.822 ( -2.095 -0.709 -3.165) 3.862 3.883 ( 0.775 4.178 0.990) 4.363 3.991 ( -3.951 -1.161 -1.314) 4.323 4.151 ( 2.701 -1.613 0.398) 3.171 4.201 ( 1.644 2.142 0.879) 2.840 4.252 ( -0.247 -0.941 -1.177) 1.527 4.296 ( -3.504 1.033 -0.869) 3.755 4.362 ( 3.277 0.466 1.587) 3.671 4.449 ( -0.532 0.965 -0.653) 1.281 4.544 ( 0.093 -2.454 2.765) 3.698 4.617 ( 1.359 -1.730 -5.094) 5.549 4.763 ( 3.735 2.473 5.907) 7.413 4.910 ( -4.010 -0.103 0.716) 4.074 4.976 ( 3.513 -1.309 1.978) 4.239 5.197 ( -1.469 1.705 -9.299) 9.567 5.374 ( 5.743 0.753 -0.246) 5.797 5.438 ( 2.602 0.636 -0.215) 2.687 5.567 ( -3.867 -1.412 0.224) 4.123 5.653 ( -7.503 -0.497 -1.546) 7.676 5.772 ( 4.738 -1.815 2.415) 5.619 5.917 ( -0.977 -1.826 -0.206) 2.081 5.967 ( -1.715 -1.848 0.781) 2.639 6.067 ( -1.034 -2.478 -3.028) 4.047 6.311 ( -1.686 -2.449 4.800) 5.647 6.342 ( -0.312 -3.744 2.125) 4.317 6.395 ( -1.602 3.513 -0.050) 3.861 6.460 ( 1.515 3.568 -5.509) 6.736 6.811 ( -0.367 -0.732 2.541) 2.670 6.902 ( -2.052 -2.392 -3.365) 4.611 7.274 ( 2.322 2.929 0.321) 3.752 7.327 ( -2.089 4.452 0.451) 4.938 7.592 ( -0.230 4.716 2.494) 5.340 7.651 ( 2.172 3.641 -4.839) 6.434 7.869 ( 3.355 1.121 0.437) 3.564 7.960 ( -2.473 1.483 -2.618) 3.895 8.249 ( 1.412 -3.704 -0.822) 4.049 8.302 ( -3.585 -5.155 -0.658) 6.313 8.457 ( 1.438 -0.243 4.453) 4.686 8.501 ( -0.991 -0.636 3.408) 3.606 8.622 ( 2.343 2.106 3.856) 4.979 8.697 ( 1.280 0.689 0.440) 1.519 8.778 ( -1.089 0.660 -2.516) 2.820 8.798 ( -0.483 1.115 -2.305) 2.606 11.905 ( 0.567 -1.444 2.064) 2.582 11.978 ( -0.898 -1.311 -2.937) 3.339 12.063 ( -0.782 1.766 2.378) 3.063 12.085 ( 1.182 1.696 -1.435) 2.516 15.422 ( 0.566 -2.705 3.094) 4.148 15.510 ( -1.078 -3.524 -3.068) 4.795 15.675 ( -0.618 0.827 4.151) 4.278 15.742 ( 0.623 1.261 -2.319) 2.712 15.894 ( -0.394 0.348 4.072) 4.106 15.949 ( 0.025 1.686 -0.140) 1.692 16.007 ( 1.140 1.399 -2.456) 3.048 16.047 ( 0.210 1.683 -3.914) 4.266 16.367 ( 1.819 -1.672 2.093) 3.238 16.432 ( 1.374 -0.492 -1.346) 1.986 16.530 ( -2.756 0.048 3.026) 4.093 16.568 ( -2.957 0.105 -1.753) 3.439 ======================= Grid point 119 (61/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.030 -0.131 1.638) 1.644 1.147 ( -0.398 0.040 -1.517) 1.569 1.499 ( -1.243 -5.593 6.090) 8.361 1.562 ( -1.312 -3.324 0.221) 3.581 1.645 ( -2.255 5.936 0.430) 6.364 1.745 ( 2.317 0.683 -8.234) 8.581 1.810 ( 3.758 -1.894 6.295) 7.572 1.933 ( -2.156 3.348 -5.430) 6.734 2.091 ( 1.729 -1.138 1.495) 2.553 2.144 ( 0.514 3.742 -3.456) 5.120 2.186 ( -5.645 6.011 1.128) 8.323 2.286 ( 6.613 1.886 -7.210) 9.964 2.385 ( -4.529 -2.241 4.807) 6.974 2.443 ( 2.694 -0.450 -1.639) 3.185 2.516 ( -5.542 5.843 2.533) 8.443 2.554 ( 5.529 1.654 1.566) 5.980 2.596 ( 0.580 0.534 1.983) 2.134 2.671 ( -0.426 -0.870 -3.094) 3.242 3.116 ( -3.004 4.501 6.074) 8.135 3.189 ( 3.701 1.002 -1.580) 4.147 3.238 ( -0.988 0.174 3.241) 3.393 3.308 ( 0.946 -1.202 -2.572) 2.992 3.401 ( -1.916 -3.650 0.102) 4.123 3.407 ( 0.288 -3.238 0.177) 3.255 3.779 ( -2.422 -4.344 5.075) 7.105 3.850 ( 0.816 -2.623 -1.307) 3.042 3.906 ( 4.061 -2.990 2.872) 5.803 3.974 ( -4.293 -1.180 -1.714) 4.771 4.149 ( 0.963 2.415 0.925) 2.759 4.176 ( -0.816 1.496 -1.329) 2.161 4.263 ( -1.792 -0.045 0.025) 1.793 4.276 ( 1.705 -1.236 -1.211) 2.429 4.377 ( 1.305 0.784 1.236) 1.961 4.437 ( -0.262 -0.942 -3.324) 3.465 4.550 ( -2.742 0.763 2.330) 3.679 4.633 ( 2.476 1.277 -5.753) 6.392 4.752 ( 3.571 3.722 6.869) 8.590 4.849 ( -3.558 0.883 -2.162) 4.256 5.053 ( 2.706 -1.760 1.592) 3.599 5.147 ( -1.802 0.402 -6.201) 6.470 5.362 ( 0.430 3.737 1.364) 4.001 5.399 ( -0.514 2.682 -2.455) 3.672 5.593 ( -1.158 -1.992 3.189) 3.934 5.655 ( 1.018 -3.288 -2.484) 4.244 5.877 ( 5.425 -1.970 0.455) 5.790 5.902 ( -5.019 -2.472 -1.180) 5.718 6.040 ( 0.950 -4.275 3.938) 5.890 6.140 ( -0.453 -6.351 -5.076) 8.143 6.264 ( -1.273 4.852 3.772) 6.276 6.286 ( -0.462 3.951 3.182) 5.094 6.434 ( 0.587 -0.418 -2.424) 2.529 6.453 ( 0.701 -2.794 -3.587) 4.601 6.859 ( 0.146 -3.933 4.334) 5.854 6.942 ( -0.204 -3.710 -4.092) 5.527 7.207 ( -2.408 5.610 2.287) 6.519 7.228 ( 2.575 4.420 0.078) 5.116 7.537 ( -2.010 0.478 1.169) 2.374 7.604 ( 2.275 2.114 -5.560) 6.368 7.894 ( 3.222 0.632 -0.732) 3.364 7.899 ( -2.862 1.283 -1.315) 3.401 8.299 ( -0.394 -1.386 3.041) 3.365 8.360 ( -0.849 -2.823 -2.996) 4.204 8.469 ( -0.653 0.059 4.948) 4.991 8.525 ( 0.530 -1.870 0.020) 1.944 8.590 ( 0.310 2.984 4.601) 5.493 8.668 ( -0.937 2.832 -2.426) 3.845 8.760 ( 2.979 0.481 1.298) 3.285 8.797 ( -1.998 -1.386 -2.197) 3.278 11.942 ( 0.339 -1.526 2.216) 2.712 11.985 ( -0.629 -0.340 -1.459) 1.624 12.029 ( -0.621 0.993 0.966) 1.519 12.063 ( 0.931 1.292 -1.831) 2.426 15.487 ( 1.190 -2.786 3.030) 4.284 15.529 ( -1.673 -0.101 -0.835) 1.872 15.680 ( 0.480 -0.954 0.998) 1.462 15.718 ( 0.259 1.442 -2.381) 2.796 15.884 ( -1.311 0.573 4.774) 4.984 15.920 ( -0.290 0.899 2.165) 2.362 15.992 ( 0.812 0.797 -3.217) 3.412 16.021 ( 0.414 0.734 -4.971) 5.042 16.381 ( -0.231 0.568 2.765) 2.833 16.432 ( 0.460 1.457 -2.423) 2.864 16.556 ( -0.535 -1.773 1.329) 2.280 16.570 ( 0.231 -3.471 -0.166) 3.482 ======================= Grid point 120 (62/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.017 1.934 0.192) 1.943 1.129 ( 1.658 2.226 -1.531) 3.170 1.461 ( -0.360 10.421 5.387) 11.736 1.523 ( -3.065 6.864 -5.683) 9.423 1.571 ( -1.348 2.051 10.242) 10.532 1.750 ( -1.010 2.116 -2.157) 3.186 1.803 ( 3.320 -0.360 -8.554) 9.183 1.854 ( 7.796 6.212 -3.808) 10.671 2.051 ( -6.742 -0.996 -0.034) 6.815 2.096 ( -1.927 -0.731 0.445) 2.108 2.202 ( 3.156 -6.277 0.423) 7.038 2.339 ( -1.405 0.702 0.464) 1.637 2.386 ( 3.382 -4.760 -4.526) 7.388 2.425 ( -3.176 -1.739 1.871) 4.076 2.482 ( 1.126 -0.129 0.707) 1.336 2.558 ( 4.493 -0.204 -0.900) 4.587 2.687 ( -0.718 -3.749 4.161) 5.647 2.698 ( -1.970 -3.983 0.139) 4.445 2.983 ( -0.552 6.651 9.385) 11.516 3.184 ( -1.216 3.826 4.231) 5.833 3.191 ( 3.249 2.823 -6.278) 7.612 3.286 ( 1.722 3.553 -3.141) 5.046 3.390 ( -4.843 0.075 4.847) 6.852 3.487 ( 0.827 -1.575 -0.674) 1.903 3.844 ( -3.108 -4.005 2.557) 5.678 3.905 ( 0.580 -1.308 0.585) 1.546 3.952 ( -2.799 -0.771 -1.321) 3.190 4.010 ( 4.816 -2.121 0.946) 5.346 4.117 ( -2.332 -0.182 -0.340) 2.364 4.162 ( 1.906 0.652 0.681) 2.126 4.245 ( -0.807 0.646 -0.916) 1.381 4.297 ( 1.970 1.120 -1.978) 3.008 4.383 ( 0.201 -0.960 3.971) 4.090 4.455 ( -0.267 -0.036 -0.856) 0.897 4.503 ( -2.537 0.064 -1.077) 2.757 4.607 ( 2.569 2.409 -7.081) 7.909 4.701 ( -0.900 2.959 5.180) 6.033 4.840 ( 1.761 -0.773 -5.062) 5.415 5.066 ( -2.947 -0.219 1.145) 3.169 5.144 ( 2.186 0.341 -1.252) 2.542 5.290 ( -0.220 3.382 2.805) 4.399 5.350 ( 0.582 1.988 -3.475) 4.046 5.631 ( -0.309 -1.935 3.322) 3.856 5.717 ( 1.461 -2.166 -3.837) 4.642 5.893 ( -3.869 -2.912 0.819) 4.912 5.945 ( 1.150 0.885 -0.137) 1.458 6.098 ( -1.408 -0.793 3.798) 4.127 6.184 ( 0.746 3.898 -3.509) 5.298 6.256 ( -0.497 -4.478 3.969) 6.005 6.282 ( 0.092 -7.292 -0.475) 7.308 6.409 ( -0.126 2.963 -0.437) 2.998 6.484 ( 1.475 0.427 -4.037) 4.319 6.946 ( -1.738 -3.119 3.712) 5.150 7.022 ( 0.532 -5.554 -2.923) 6.299 7.105 ( -3.558 1.254 0.911) 3.881 7.195 ( 4.998 2.098 0.977) 5.507 7.522 ( -2.684 -1.144 -2.143) 3.620 7.609 ( 3.457 -0.005 -3.236) 4.735 7.836 ( -3.462 1.135 0.379) 3.663 7.925 ( 3.966 0.201 -1.384) 4.205 8.315 ( 1.190 0.388 4.633) 4.799 8.360 ( -1.679 1.542 -3.610) 4.270 8.463 ( -1.744 -0.071 5.643) 5.907 8.531 ( -2.069 0.551 0.045) 2.142 8.582 ( -0.090 -0.013 -0.530) 0.537 8.605 ( 1.586 1.588 1.028) 2.469 8.790 ( 2.407 -0.117 2.407) 3.406 8.803 ( -1.503 -1.406 -2.986) 3.626 11.940 ( -1.223 1.426 1.539) 2.429 11.991 ( 1.550 0.436 -0.653) 1.738 12.025 ( 0.316 -0.737 1.794) 1.966 12.061 ( -0.587 -1.278 -2.801) 3.135 15.490 ( -1.364 2.504 2.043) 3.508 15.543 ( 1.617 -0.867 -0.363) 1.870 15.684 ( -0.296 1.106 0.703) 1.343 15.714 ( 0.073 -1.913 -2.163) 2.888 15.866 ( -1.661 0.280 5.279) 5.541 15.921 ( 0.106 -0.411 3.713) 3.737 15.984 ( 0.530 0.204 -3.699) 3.743 16.014 ( 1.148 0.038 -6.014) 6.123 16.365 ( 0.522 1.604 1.343) 2.156 16.392 ( 0.365 2.581 -1.683) 3.102 16.595 ( -1.938 -3.822 3.821) 5.742 16.661 ( -0.088 -5.280 -1.829) 5.588 ======================= Grid point 124 (63/72) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.028 -0.000 -0.268) 0.269 1.080 ( -0.222 0.000 -1.688) 1.703 1.382 ( 6.174 -0.000 5.276) 8.121 1.414 ( -0.814 0.000 3.462) 3.556 1.714 ( 4.229 -0.000 -5.170) 6.680 1.743 ( 2.139 -0.000 7.933) 8.216 1.858 ( -3.311 0.000 -5.395) 6.330 1.898 ( -6.263 0.000 -1.073) 6.354 2.040 ( 0.858 -0.000 16.028) 16.051 2.082 ( 13.216 -0.000 -3.223) 13.603 2.222 ( 7.009 -0.000 1.900) 7.262 2.334 ( -2.247 0.000 2.477) 3.345 2.407 ( -0.911 0.000 -0.249) 0.944 2.529 ( -6.845 0.000 -2.734) 7.370 2.672 ( -4.989 0.000 4.906) 6.997 2.809 ( 0.067 -0.000 -6.689) 6.690 2.825 ( 1.654 -0.000 2.294) 2.828 2.872 ( -0.940 0.000 -7.272) 7.332 2.950 ( -4.294 0.000 -0.687) 4.348 2.998 ( 3.624 -0.000 -6.572) 7.505 3.110 ( 2.114 -0.000 -0.573) 2.191 3.157 ( -2.661 0.000 0.240) 2.672 3.319 ( 2.504 -0.000 1.239) 2.794 3.334 ( 2.629 -0.000 -1.029) 2.823 3.700 ( -3.141 0.000 8.092) 8.681 3.872 ( -5.089 0.000 -6.628) 8.356 3.973 ( -1.935 0.000 6.535) 6.815 4.063 ( 3.993 -0.000 -4.815) 6.255 4.093 ( 1.376 -0.000 0.286) 1.406 4.199 ( -0.608 0.000 -5.851) 5.882 4.247 ( 2.009 -0.000 5.760) 6.100 4.307 ( 1.579 -0.000 2.824) 3.236 4.390 ( 0.702 -0.000 0.217) 0.735 4.405 ( -0.784 0.000 -0.747) 1.082 4.508 ( -0.971 0.000 3.329) 3.468 4.549 ( 2.011 -0.000 -6.916) 7.202 4.836 ( -5.439 0.000 10.368) 11.708 4.842 ( 7.546 -0.000 -6.738) 10.117 4.976 ( -0.815 0.000 7.646) 7.689 5.246 ( 0.127 -0.000 -11.605) 11.605 5.370 ( 8.354 -0.000 -0.883) 8.401 5.447 ( 3.885 -0.000 0.921) 3.992 5.566 ( -6.580 0.000 -0.728) 6.620 5.603 ( -6.555 0.000 -0.853) 6.611 5.795 ( -4.471 0.000 4.577) 6.399 5.852 ( 1.083 -0.000 -5.856) 5.955 5.949 ( -0.387 0.000 6.110) 6.122 6.091 ( -0.239 0.000 -4.869) 4.874 6.175 ( 0.303 -0.000 0.444) 0.537 6.184 ( -1.243 0.000 3.364) 3.586 6.506 ( -3.914 0.000 4.473) 5.944 6.589 ( 1.523 -0.000 -7.196) 7.356 6.825 ( -1.120 0.000 -0.637) 1.288 6.830 ( -1.832 0.000 0.734) 1.973 7.320 ( -1.156 0.000 0.856) 1.438 7.379 ( -0.526 0.000 -4.812) 4.841 7.756 ( 6.297 -0.000 -0.744) 6.341 7.784 ( 2.000 -0.000 1.308) 2.390 7.932 ( -1.857 0.000 3.379) 3.855 8.013 ( -3.944 0.000 -2.300) 4.565 8.113 ( 3.786 -0.000 -4.320) 5.744 8.131 ( -2.455 0.000 0.871) 2.605 8.448 ( 1.465 -0.000 4.925) 5.138 8.495 ( -1.936 0.000 4.667) 5.052 8.648 ( 2.652 -0.000 0.104) 2.654 8.723 ( 0.506 -0.000 7.367) 7.385 8.754 ( -1.040 0.000 -4.996) 5.103 8.868 ( 0.505 -0.000 -5.392) 5.415 11.878 ( 0.675 -0.000 1.989) 2.101 11.949 ( -0.659 0.000 -2.892) 2.967 12.105 ( -1.095 0.000 2.371) 2.611 12.117 ( 1.157 -0.000 -1.015) 1.539 15.374 ( 0.982 -0.000 0.646) 1.176 15.400 ( -0.841 0.000 0.608) 1.038 15.700 ( -1.170 0.000 3.245) 3.450 15.765 ( -0.153 0.000 -2.353) 2.358 15.898 ( -0.115 0.000 4.483) 4.485 15.987 ( 1.070 -0.000 -4.187) 4.321 16.056 ( 1.285 -0.000 -0.866) 1.550 16.102 ( 0.581 -0.000 -3.014) 3.069 16.311 ( 4.715 -0.000 2.481) 5.328 16.409 ( -0.330 0.000 1.166) 1.212 16.546 ( -6.265 0.000 3.912) 7.386 16.580 ( -3.400 0.000 -3.691) 5.018 ======================= Grid point 125 (64/72) ======================= q-point: (-0.43 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.640 -1.457 0.729) 1.751 1.088 ( -0.573 -1.484 -2.179) 2.698 1.406 ( -0.426 0.230 3.567) 3.600 1.426 ( -0.452 -0.827 3.474) 3.600 1.736 ( -3.065 -0.283 5.439) 6.250 1.757 ( -1.957 0.338 -2.001) 2.819 1.811 ( 4.255 1.176 0.640) 4.461 1.858 ( -4.120 -1.864 -4.282) 6.227 2.098 ( -1.916 -4.086 9.379) 10.408 2.191 ( 5.958 1.699 -2.100) 6.542 2.298 ( 1.796 2.140 0.400) 2.822 2.300 ( 8.322 -0.634 0.536) 8.364 2.392 ( -0.194 -0.189 0.311) 0.412 2.441 ( -7.150 1.213 -2.093) 7.548 2.596 ( -4.750 2.726 4.598) 7.151 2.746 ( 1.977 5.144 -7.012) 8.919 2.808 ( -1.387 3.059 3.696) 4.994 2.875 ( 0.565 4.214 -3.494) 5.503 2.989 ( -3.070 -9.401 -1.173) 9.959 3.047 ( 2.076 -3.392 -3.467) 5.276 3.144 ( -0.104 -1.563 0.673) 1.705 3.168 ( 1.146 -2.690 -1.121) 3.132 3.324 ( 0.845 0.079 0.222) 0.877 3.361 ( 0.959 -0.832 -2.454) 2.763 3.701 ( -1.091 -0.875 8.528) 8.642 3.817 ( -1.647 1.038 -3.048) 3.617 3.953 ( -3.180 0.544 2.508) 4.087 3.997 ( 1.310 6.191 -1.268) 6.453 4.143 ( 2.371 -1.844 0.085) 3.005 4.192 ( -3.318 -1.941 -4.760) 6.118 4.257 ( 2.200 1.270 4.758) 5.394 4.300 ( -0.867 1.260 -0.677) 1.673 4.406 ( 1.896 -0.085 2.297) 2.979 4.456 ( 0.239 -1.215 -2.673) 2.946 4.502 ( 0.258 -1.864 2.018) 2.759 4.578 ( 2.627 -1.694 -6.022) 6.785 4.798 ( -4.895 -0.775 7.873) 9.303 4.894 ( 3.563 0.957 -2.743) 4.597 4.988 ( 1.495 -0.830 6.620) 6.838 5.210 ( -0.729 1.983 -12.411) 12.590 5.426 ( -3.802 0.426 0.725) 3.894 5.455 ( 5.674 0.135 -1.500) 5.871 5.545 ( 2.488 -0.765 0.826) 2.731 5.561 ( -5.453 -0.689 -1.012) 5.589 5.778 ( -0.157 -1.610 3.954) 4.273 5.873 ( 0.828 -0.794 -5.381) 5.502 5.959 ( 2.105 -0.205 4.890) 5.328 6.048 ( -1.314 1.671 -3.680) 4.249 6.225 ( -0.371 -4.025 2.527) 4.767 6.245 ( -0.221 -5.451 0.772) 5.510 6.450 ( -2.760 2.925 4.134) 5.768 6.554 ( 2.274 4.126 -5.471) 7.220 6.815 ( 0.427 0.487 1.072) 1.253 6.842 ( -0.826 -2.065 -1.492) 2.678 7.318 ( 1.147 0.049 0.880) 1.447 7.357 ( -1.200 1.452 -3.244) 3.752 7.704 ( -1.922 6.772 2.809) 7.579 7.751 ( 1.412 4.545 -2.384) 5.323 7.912 ( 1.288 0.729 2.307) 2.741 7.967 ( -1.889 1.345 -2.864) 3.685 8.159 ( -3.264 -4.689 0.795) 5.769 8.203 ( 4.139 -4.191 -3.135) 6.673 8.468 ( 0.527 -0.236 4.843) 4.877 8.489 ( -0.634 -0.326 3.304) 3.380 8.662 ( 0.673 0.586 2.635) 2.782 8.732 ( -0.600 -0.372 5.403) 5.448 8.739 ( -0.182 0.487 -4.909) 4.936 8.843 ( 0.456 2.086 -5.271) 5.688 11.894 ( 0.874 -0.712 2.179) 2.453 11.945 ( -0.882 -0.773 -3.029) 3.248 12.085 ( -1.255 1.149 2.298) 2.859 12.119 ( 1.266 0.888 -1.153) 1.929 15.391 ( 0.475 -1.361 2.368) 2.772 15.432 ( -0.394 -3.269 -1.744) 3.726 15.690 ( -0.537 0.721 4.151) 4.247 15.758 ( 0.220 0.382 -2.659) 2.695 15.900 ( -0.553 0.193 4.300) 4.340 15.978 ( 0.338 1.219 -3.115) 3.362 16.047 ( 0.969 1.714 -0.862) 2.149 16.076 ( -0.548 1.842 -3.439) 3.940 16.369 ( 2.513 -0.590 3.023) 3.975 16.409 ( -1.076 -1.751 -0.984) 2.278 16.503 ( -3.818 -0.254 3.710) 5.330 16.565 ( 1.925 0.626 -2.605) 3.299 ======================= Grid point 126 (65/72) ======================= q-point: (-0.29 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.896 -2.141 1.127) 2.580 1.115 ( -0.193 -1.496 -0.215) 1.523 1.375 ( -8.890 -3.365 4.674) 10.593 1.472 ( 1.148 -2.526 3.326) 4.332 1.671 ( -6.583 -0.806 -4.479) 8.003 1.756 ( -1.131 0.283 9.801) 9.870 1.851 ( 6.406 0.134 -6.710) 9.278 1.900 ( 0.965 -3.004 -2.406) 3.968 2.113 ( -2.906 2.397 -0.823) 3.856 2.175 ( -5.786 -2.640 2.291) 6.760 2.233 ( 1.257 4.181 -2.583) 5.073 2.315 ( -0.632 5.845 0.276) 5.886 2.405 ( 5.357 -2.381 -0.406) 5.876 2.484 ( 5.437 1.017 -1.447) 5.717 2.523 ( -1.944 -0.279 6.215) 6.518 2.637 ( -1.448 6.191 0.502) 6.378 2.701 ( -0.538 5.444 -2.906) 6.195 2.757 ( 2.689 7.992 -1.826) 8.627 3.106 ( -6.425 -6.913 0.278) 9.442 3.136 ( -1.416 -0.862 4.051) 4.377 3.188 ( -2.372 -5.737 -1.409) 6.367 3.251 ( 3.940 -4.557 -2.587) 6.557 3.353 ( 1.976 -1.104 0.270) 2.280 3.368 ( -0.945 -0.701 -1.528) 1.928 3.727 ( 1.161 -0.949 6.883) 7.044 3.819 ( 2.270 -1.440 -1.048) 2.885 3.898 ( -2.447 0.196 -0.403) 2.488 3.951 ( 2.233 1.389 1.269) 2.920 4.175 ( -1.546 -0.708 0.245) 1.718 4.190 ( -2.439 -0.218 -2.205) 3.295 4.248 ( 0.778 1.318 1.901) 2.441 4.282 ( 2.015 -0.006 0.052) 2.016 4.414 ( -0.786 -0.392 -1.355) 1.615 4.432 ( 2.286 2.527 -1.381) 3.676 4.542 ( -1.353 -0.270 2.446) 2.808 4.633 ( 1.374 -2.041 -5.553) 6.073 4.798 ( -4.627 -2.404 1.509) 5.429 4.863 ( 2.286 3.892 5.904) 7.432 5.055 ( 3.718 -1.802 2.199) 4.681 5.135 ( -2.311 2.097 -10.873) 11.312 5.369 ( -5.611 0.215 0.525) 5.639 5.454 ( -1.279 2.213 -2.065) 3.286 5.554 ( 1.424 -1.669 0.859) 2.356 5.624 ( 5.499 -1.948 2.284) 6.265 5.815 ( -4.280 -1.956 -1.490) 4.936 5.901 ( 5.844 -0.971 -0.679) 5.963 6.010 ( 3.024 -1.435 2.362) 4.097 6.039 ( -0.759 -3.014 -4.313) 5.316 6.283 ( -2.681 -1.721 5.093) 6.007 6.338 ( -0.643 -0.973 5.209) 5.338 6.387 ( 0.497 -1.004 -2.162) 2.435 6.485 ( 2.625 4.544 -5.400) 7.530 6.823 ( 0.316 -0.984 2.834) 3.017 6.885 ( 1.578 -2.487 -2.947) 4.167 7.280 ( -2.394 4.898 -0.131) 5.453 7.328 ( 2.848 1.832 0.111) 3.388 7.566 ( -3.001 4.836 2.985) 6.427 7.667 ( 0.455 3.485 -4.245) 5.511 7.902 ( -2.723 2.574 -2.783) 4.668 7.931 ( 2.812 0.107 0.210) 2.822 8.224 ( -2.816 -4.828 1.279) 5.734 8.307 ( 3.057 -3.338 -0.672) 4.576 8.466 ( -1.595 0.232 4.196) 4.495 8.513 ( 1.292 -0.910 1.474) 2.161 8.634 ( -1.969 2.222 4.237) 5.174 8.714 ( 0.219 1.851 -2.753) 3.325 8.743 ( -1.598 -1.312 0.445) 2.115 8.809 ( 2.050 1.530 -2.739) 3.748 11.924 ( 0.840 -1.273 2.377) 2.824 11.954 ( -0.738 -1.373 -2.822) 3.223 12.049 ( -1.278 1.641 2.096) 2.953 12.104 ( 1.133 1.731 -1.618) 2.626 15.440 ( -0.049 -2.976 2.867) 4.132 15.491 ( 0.515 -2.960 -2.704) 4.042 15.677 ( -0.421 0.573 3.908) 3.972 15.747 ( 0.781 1.032 -2.917) 3.192 15.890 ( -1.244 0.666 4.219) 4.448 15.943 ( -0.703 1.721 0.399) 1.901 16.019 ( 0.585 1.640 -1.943) 2.609 16.036 ( -0.076 1.300 -4.187) 4.385 16.374 ( -2.088 -0.865 2.102) 3.086 16.433 ( -0.892 -0.443 -1.883) 2.130 16.522 ( 1.916 -2.224 2.836) 4.081 16.570 ( 3.089 1.434 -1.057) 3.566 ======================= Grid point 127 (66/72) ======================= q-point: (-0.14 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.205 0.267 1.539) 1.575 1.135 ( -0.553 -1.804 -1.135) 2.202 1.426 ( -6.519 -7.846 2.980) 10.628 1.542 ( -0.778 -4.037 5.830) 7.134 1.607 ( -1.400 4.065 0.192) 4.304 1.770 ( 1.620 -0.658 -0.169) 1.756 1.890 ( 0.961 1.725 -8.186) 8.421 1.950 ( 6.758 -1.076 -0.246) 6.848 1.995 ( -7.293 4.292 -1.384) 8.574 2.123 ( -1.322 1.876 -2.664) 3.516 2.178 ( -2.177 4.408 -2.037) 5.321 2.258 ( -1.127 -3.315 0.968) 3.633 2.409 ( -1.161 4.101 1.789) 4.622 2.481 ( 5.545 0.820 1.322) 5.759 2.488 ( 0.241 3.836 1.076) 3.992 2.614 ( 1.118 -1.459 1.716) 2.515 2.631 ( -1.634 0.801 -2.183) 2.842 2.684 ( 4.832 3.009 -1.067) 5.792 3.053 ( -3.141 3.627 0.545) 4.829 3.197 ( -4.776 -5.423 4.950) 8.759 3.229 ( 0.217 -0.966 -0.060) 0.992 3.318 ( 0.855 1.419 -0.519) 1.736 3.372 ( -2.227 -0.028 0.803) 2.367 3.420 ( 2.168 -4.307 0.296) 4.831 3.773 ( 0.793 -1.498 5.274) 5.539 3.873 ( -1.016 -1.460 -0.049) 1.779 3.907 ( 1.224 -2.371 -2.807) 3.872 3.994 ( 2.479 -2.869 3.170) 4.943 4.134 ( 0.989 3.217 -0.387) 3.388 4.172 ( -3.353 -0.811 -0.365) 3.469 4.255 ( 2.061 -0.242 1.035) 2.319 4.314 ( 1.618 -0.743 -1.020) 2.052 4.400 ( 1.425 0.761 -1.904) 2.497 4.443 ( 1.642 -0.980 -0.151) 1.918 4.492 ( -3.737 2.372 2.105) 4.901 4.645 ( -0.324 0.407 -5.323) 5.348 4.746 ( -3.690 2.776 -2.301) 5.159 4.869 ( 4.388 0.697 5.383) 6.980 5.039 ( -3.222 1.351 -4.448) 5.656 5.146 ( 2.090 -2.010 -0.712) 2.986 5.318 ( -3.148 0.953 1.098) 3.467 5.403 ( -0.057 1.959 -1.461) 2.444 5.604 ( 1.588 -1.534 1.436) 2.634 5.700 ( 3.605 -1.110 -0.500) 3.805 5.792 ( -5.541 -1.847 -1.748) 6.096 5.977 ( 4.222 -0.606 0.158) 4.268 6.065 ( 0.966 -2.313 1.220) 2.788 6.130 ( 0.684 -6.373 -2.842) 7.012 6.227 ( -2.911 2.503 5.360) 6.593 6.302 ( 0.536 4.455 2.142) 4.972 6.437 ( 0.826 0.353 -4.489) 4.578 6.469 ( 1.138 -2.519 -1.522) 3.156 6.884 ( 1.562 -4.171 3.461) 5.641 6.945 ( 1.251 -2.424 -2.992) 4.049 7.143 ( -3.570 6.016 1.066) 7.076 7.291 ( 2.273 3.698 0.797) 4.414 7.495 ( -1.544 0.876 -1.331) 2.219 7.639 ( 1.942 0.729 -3.113) 3.740 7.829 ( -2.847 1.592 -1.191) 3.473 7.955 ( 2.221 -0.114 -0.716) 2.336 8.286 ( -1.218 -3.570 1.862) 4.206 8.370 ( 1.924 -0.534 0.437) 2.044 8.448 ( -2.161 0.186 4.742) 5.214 8.517 ( -2.132 0.645 -1.341) 2.600 8.591 ( 0.551 0.909 2.099) 2.352 8.669 ( 0.364 2.754 0.281) 2.792 8.752 ( -1.919 -1.671 -2.067) 3.279 8.817 ( 2.400 0.233 0.299) 2.430 11.950 ( -0.063 -0.148 1.474) 1.482 11.979 ( 0.291 -1.914 -0.391) 1.975 12.017 ( -0.980 0.367 0.839) 1.341 12.074 ( 0.744 2.071 -2.043) 3.003 15.490 ( -1.014 -1.762 0.324) 2.059 15.534 ( 1.447 -1.097 2.164) 2.825 15.678 ( -0.665 -0.937 -0.417) 1.222 15.722 ( 0.825 1.986 -1.945) 2.899 15.869 ( -1.269 0.614 4.553) 4.767 15.921 ( -0.482 0.164 3.130) 3.171 15.994 ( 0.184 1.012 -2.793) 2.977 16.019 ( 0.744 0.320 -5.135) 5.198 16.380 ( -0.660 -0.671 1.806) 2.037 16.420 ( -0.933 0.466 -1.460) 1.794 16.563 ( 1.277 1.060 0.588) 1.761 16.589 ( 1.393 -2.601 0.367) 2.973 ======================= Grid point 132 (67/72) ======================= q-point: (-0.43 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.812 -0.000 0.196) 1.823 1.065 ( -0.832 0.000 -2.696) 2.822 1.404 ( -0.888 0.000 2.359) 2.521 1.417 ( -4.315 0.000 3.999) 5.883 1.657 ( -9.750 0.000 5.520) 11.204 1.766 ( -5.643 0.000 -0.920) 5.717 1.810 ( 6.449 -0.000 -0.375) 6.460 1.846 ( -2.404 0.000 2.539) 3.496 2.068 ( 0.957 -0.000 0.206) 0.979 2.259 ( -2.704 0.000 -1.742) 3.216 2.305 ( -4.527 0.000 17.192) 17.778 2.314 ( 3.015 -0.000 -7.872) 8.430 2.386 ( 3.111 -0.000 -2.773) 4.167 2.413 ( -0.136 0.000 -0.359) 0.384 2.616 ( -0.605 0.000 4.014) 4.059 2.771 ( -1.595 0.000 0.143) 1.601 2.849 ( -2.265 0.000 7.598) 7.928 2.870 ( 2.574 -0.000 -9.909) 10.238 2.919 ( 2.237 -0.000 -4.897) 5.383 3.033 ( 1.363 -0.000 -4.272) 4.485 3.118 ( -1.007 0.000 -2.682) 2.865 3.164 ( 3.192 -0.000 0.117) 3.194 3.340 ( -1.361 0.000 -1.644) 2.134 3.348 ( 0.396 -0.000 -1.386) 1.441 3.709 ( 1.978 -0.000 10.251) 10.440 3.809 ( -0.339 0.000 -3.277) 3.295 3.932 ( -4.209 0.000 6.870) 8.056 4.099 ( -0.196 0.000 -5.657) 5.661 4.109 ( -0.215 0.000 2.961) 2.968 4.130 ( -3.337 0.000 -4.068) 5.261 4.301 ( 2.681 -0.000 6.386) 6.926 4.324 ( 0.894 -0.000 -2.730) 2.872 4.408 ( 1.002 -0.000 -1.540) 1.837 4.417 ( 1.172 -0.000 -1.465) 1.877 4.485 ( -1.249 0.000 -0.799) 1.483 4.603 ( 4.705 -0.000 -6.448) 7.982 4.724 ( -8.704 0.000 5.634) 10.368 4.956 ( 5.730 -0.000 -4.347) 7.193 4.991 ( -0.489 0.000 12.348) 12.357 5.211 ( -0.270 0.000 -13.479) 13.482 5.368 ( -6.838 0.000 -0.571) 6.862 5.479 ( -6.371 0.000 -2.022) 6.684 5.539 ( 9.149 -0.000 2.126) 9.393 5.600 ( 5.641 -0.000 0.019) 5.641 5.744 ( -1.379 0.000 4.393) 4.605 5.892 ( 3.972 -0.000 -5.268) 6.598 5.984 ( 2.249 -0.000 6.043) 6.448 6.068 ( -0.527 0.000 -5.884) 5.908 6.164 ( -1.750 0.000 2.328) 2.912 6.202 ( 2.230 -0.000 1.002) 2.444 6.459 ( -2.426 0.000 5.550) 6.057 6.615 ( 3.047 -0.000 -6.183) 6.893 6.818 ( 0.452 -0.000 0.544) 0.707 6.832 ( 1.650 -0.000 0.201) 1.662 7.320 ( 0.741 -0.000 1.294) 1.491 7.365 ( 0.400 -0.000 -4.026) 4.046 7.744 ( -5.289 0.000 0.839) 5.355 7.802 ( -3.524 0.000 -1.163) 3.711 7.935 ( 0.325 -0.000 4.298) 4.310 7.938 ( -0.897 0.000 2.914) 3.049 8.111 ( -0.092 0.000 -4.052) 4.053 8.195 ( 5.833 -0.000 -4.298) 7.246 8.477 ( 0.514 -0.000 5.340) 5.365 8.482 ( -0.874 0.000 2.435) 2.587 8.674 ( 0.110 -0.000 2.094) 2.097 8.697 ( -2.791 0.000 -1.086) 2.995 8.766 ( 1.183 -0.000 2.375) 2.653 8.857 ( -0.002 0.000 -6.126) 6.126 11.899 ( 0.935 -0.000 2.210) 2.400 11.926 ( -0.785 0.000 -2.992) 3.093 12.086 ( -1.463 0.000 2.119) 2.575 12.138 ( 1.220 -0.000 -0.978) 1.564 15.381 ( -1.160 0.000 0.093) 1.164 15.398 ( 1.168 -0.000 0.781) 1.406 15.701 ( 0.050 -0.000 4.130) 4.131 15.758 ( 0.151 -0.000 -2.572) 2.577 15.902 ( -0.719 0.000 4.235) 4.295 15.988 ( 0.216 -0.000 -4.386) 4.392 16.071 ( 0.335 -0.000 -0.069) 0.342 16.083 ( -1.469 0.000 -3.530) 3.823 16.344 ( -5.001 0.000 -0.825) 5.068 16.413 ( 2.203 -0.000 1.113) 2.468 16.484 ( 1.524 -0.000 6.115) 6.303 16.605 ( 5.279 -0.000 -2.268) 5.746 ======================= Grid point 133 (68/72) ======================= q-point: (-0.29 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -1.464 -0.692 0.005) 1.620 1.092 ( 0.870 -1.346 0.184) 1.613 1.278 ( -12.208 3.680 7.083) 14.586 1.459 ( 0.421 -2.962 3.424) 4.547 1.555 ( -9.140 -0.319 -1.505) 9.268 1.742 ( -5.888 -2.253 0.513) 6.325 1.808 ( -1.940 -0.530 2.118) 2.921 1.913 ( 4.490 -3.323 -0.907) 5.659 2.077 ( 1.082 0.524 -2.906) 3.145 2.166 ( -5.783 2.684 -3.617) 7.330 2.277 ( -1.985 1.146 6.510) 6.902 2.389 ( -2.294 -3.041 9.928) 10.634 2.400 ( 3.602 1.694 -3.736) 5.459 2.464 ( 5.950 -4.457 0.214) 7.437 2.585 ( 2.871 3.279 0.713) 4.417 2.744 ( -1.271 4.903 -2.218) 5.530 2.781 ( -2.246 3.258 3.356) 5.189 2.863 ( -1.061 5.068 -2.213) 5.631 2.949 ( 0.397 -4.505 -4.362) 6.283 3.076 ( 0.884 -3.434 0.345) 3.563 3.117 ( -0.664 -1.051 -3.092) 3.332 3.206 ( 0.194 -1.809 -0.215) 1.832 3.317 ( -0.895 -1.579 -1.037) 2.091 3.360 ( -0.139 -0.970 -3.799) 3.923 3.761 ( 5.079 -0.418 9.942) 11.172 3.820 ( 2.172 -0.880 -0.328) 2.366 3.897 ( -2.139 1.287 1.848) 3.106 4.021 ( 0.510 3.309 0.201) 3.354 4.092 ( -5.006 -1.599 -2.506) 5.822 4.171 ( -0.070 -2.227 0.576) 2.301 4.290 ( 0.523 2.422 -2.607) 3.597 4.319 ( 1.900 1.629 2.151) 3.300 4.401 ( -2.067 0.638 1.556) 2.665 4.457 ( 1.323 -2.605 -2.805) 4.050 4.518 ( 0.933 -2.177 -2.036) 3.123 4.610 ( -0.104 0.588 -3.572) 3.621 4.691 ( -4.832 -3.178 -0.650) 5.820 4.954 ( 2.148 2.708 6.343) 7.224 5.044 ( 2.192 -2.520 4.073) 5.267 5.157 ( -1.346 3.114 -12.358) 12.815 5.315 ( -4.913 -0.347 -0.823) 4.993 5.419 ( -5.783 0.055 -2.106) 6.154 5.607 ( 7.031 1.183 1.974) 7.398 5.662 ( 5.777 -0.764 3.430) 6.762 5.759 ( -0.849 -0.881 0.860) 1.495 5.935 ( 5.227 -1.236 -3.728) 6.538 6.006 ( -0.049 0.845 -1.525) 1.744 6.033 ( 2.536 0.215 0.974) 2.725 6.233 ( 0.341 -4.597 1.340) 4.800 6.246 ( 0.483 -3.458 1.976) 4.012 6.425 ( -1.213 2.405 4.652) 5.376 6.594 ( 3.234 4.152 -4.923) 7.207 6.827 ( 1.164 0.407 0.007) 1.233 6.869 ( 3.431 -1.748 0.349) 3.866 7.329 ( -0.253 1.621 -2.326) 2.846 7.360 ( 1.831 -0.086 1.056) 2.115 7.633 ( -5.775 5.147 2.438) 8.111 7.713 ( -4.055 3.007 -2.185) 5.501 7.929 ( -1.753 1.818 -0.460) 2.567 7.953 ( 1.907 0.204 2.025) 2.789 8.122 ( -0.762 -3.015 -1.518) 3.460 8.280 ( 4.533 -3.109 -1.687) 5.749 8.464 ( -1.378 0.528 2.964) 3.311 8.504 ( 0.038 -1.146 3.045) 3.254 8.656 ( -1.187 1.360 2.183) 2.833 8.686 ( -1.885 -0.721 -2.472) 3.191 8.765 ( 0.526 1.216 2.896) 3.184 8.839 ( 0.511 0.855 -5.030) 5.127 11.916 ( 0.725 -0.702 2.107) 2.336 11.924 ( -0.502 -0.782 -2.738) 2.892 12.066 ( -1.366 1.055 2.201) 2.796 12.137 ( 0.983 0.984 -1.370) 1.952 15.390 ( -0.780 -1.968 0.845) 2.279 15.438 ( 1.074 -2.906 -0.696) 3.175 15.697 ( 0.014 1.015 4.224) 4.344 15.760 ( 0.820 -0.025 -2.540) 2.669 15.895 ( -1.121 0.482 3.953) 4.137 15.967 ( -0.746 1.528 -2.320) 2.876 16.047 ( -1.065 1.293 -3.159) 3.575 16.055 ( -0.399 1.408 -1.074) 1.815 16.317 ( -3.723 -1.677 -0.673) 4.138 16.409 ( -2.421 -0.562 0.231) 2.496 16.545 ( 7.027 0.081 5.690) 9.042 16.643 ( 6.178 1.540 -1.682) 6.585 ======================= Grid point 134 (69/72) ======================= q-point: (-0.14 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -4.115 -2.712 3.206) 5.879 1.121 ( -0.866 -1.436 1.335) 2.143 1.204 ( -8.146 -6.372 6.893) 12.429 1.493 ( -1.467 -0.969 2.013) 2.673 1.565 ( -1.769 -6.013 -4.515) 7.725 1.750 ( -3.189 -2.993 4.348) 6.167 1.815 ( -3.306 -2.643 -2.589) 4.962 1.977 ( -0.323 0.227 -4.470) 4.487 2.045 ( -3.191 -0.464 -1.850) 3.717 2.089 ( 3.076 4.014 -3.977) 6.433 2.232 ( -0.422 2.400 3.073) 3.922 2.365 ( 3.022 6.472 -1.608) 7.322 2.423 ( -2.062 -0.984 6.463) 6.855 2.526 ( 1.389 4.654 -2.866) 5.640 2.585 ( 2.247 -0.665 1.298) 2.679 2.639 ( 1.997 2.903 3.744) 5.142 2.669 ( -2.239 6.702 -1.593) 7.244 2.789 ( 0.343 1.592 1.493) 2.209 2.981 ( -6.885 -5.126 1.705) 8.752 3.097 ( -1.045 2.391 -2.878) 3.885 3.170 ( -0.937 -4.876 4.171) 6.484 3.251 ( -2.108 -5.635 -5.097) 7.885 3.363 ( 1.344 -0.482 -1.675) 2.201 3.399 ( 1.735 -3.205 1.343) 3.884 3.823 ( 6.064 1.389 6.559) 9.040 3.869 ( 0.834 1.039 -0.897) 1.606 3.881 ( 3.745 -2.214 -0.786) 4.421 3.993 ( 1.058 0.539 2.711) 2.960 4.089 ( -4.885 -2.930 -1.303) 5.843 4.190 ( 0.511 0.243 0.939) 1.096 4.261 ( 0.554 0.699 -0.604) 1.077 4.304 ( -0.999 -0.688 -1.445) 1.886 4.394 ( 1.280 -0.547 -1.623) 2.138 4.481 ( 0.494 1.612 3.720) 4.084 4.518 ( 0.025 1.925 -1.012) 2.175 4.603 ( -3.820 -2.111 -3.078) 5.340 4.712 ( -2.495 -1.806 -6.353) 7.061 4.941 ( 2.731 1.883 7.566) 8.261 5.056 ( -2.250 3.683 -9.969) 10.863 5.117 ( 1.599 -2.678 2.890) 4.252 5.286 ( -3.460 -0.672 0.167) 3.529 5.381 ( -3.267 -1.070 -2.419) 4.203 5.637 ( 4.315 1.383 1.648) 4.821 5.719 ( 0.732 -0.488 2.210) 2.379 5.751 ( 1.386 0.593 0.319) 1.541 6.000 ( 2.712 -1.743 -5.031) 5.975 6.029 ( 2.779 -2.173 -1.416) 3.801 6.071 ( 2.761 -1.159 1.562) 3.377 6.260 ( -0.865 1.223 5.960) 6.145 6.344 ( -0.239 -2.202 4.278) 4.818 6.389 ( -0.059 -1.481 -1.103) 1.847 6.519 ( 2.176 5.376 -5.400) 7.925 6.849 ( 2.760 -1.551 0.909) 3.294 6.937 ( 3.878 -1.254 -0.424) 4.097 7.236 ( -2.503 6.178 0.215) 6.670 7.358 ( -0.661 2.498 -0.284) 2.600 7.518 ( -1.631 2.698 0.695) 3.228 7.653 ( -0.725 0.392 -2.703) 2.825 7.852 ( -1.736 3.314 -2.204) 4.342 7.961 ( -0.074 -0.077 0.741) 0.749 8.196 ( -0.309 -4.824 1.084) 4.954 8.366 ( 2.780 -2.251 1.693) 3.957 8.447 ( -1.189 0.387 3.076) 3.321 8.504 ( -2.749 0.370 0.341) 2.795 8.626 ( 1.060 1.664 0.203) 1.984 8.677 ( -1.774 -0.799 -2.088) 2.854 8.739 ( -0.600 1.696 2.660) 3.211 8.836 ( 1.290 -0.004 -2.256) 2.599 11.935 ( -0.047 -1.223 -1.680) 2.079 11.947 ( 0.351 -1.587 1.554) 2.248 12.031 ( -1.101 1.633 2.091) 2.872 12.116 ( 0.651 1.854 -1.985) 2.793 15.435 ( -0.435 -3.052 0.995) 3.239 15.509 ( 1.176 -3.130 -1.258) 3.573 15.676 ( -0.618 1.202 3.089) 3.372 15.759 ( 1.265 1.095 -2.521) 3.025 15.875 ( -1.176 0.711 3.697) 3.944 15.929 ( -1.072 1.047 2.181) 2.646 16.015 ( -0.498 1.394 -2.204) 2.655 16.026 ( 0.096 0.679 -4.292) 4.347 16.331 ( -2.124 -2.562 0.148) 3.331 16.402 ( -1.837 -0.772 -0.126) 1.997 16.595 ( 4.167 0.902 3.975) 5.829 16.647 ( 5.293 3.522 -1.701) 6.581 ======================= Grid point 140 (70/72) ======================= q-point: (-0.29 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -4.980 0.000 1.660) 5.249 1.096 ( 1.042 -0.000 0.599) 1.202 1.272 ( -11.411 0.000 10.614) 15.584 1.380 ( -2.521 0.000 -2.759) 3.737 1.452 ( -13.190 0.000 1.962) 13.335 1.639 ( -9.023 0.000 -6.370) 11.045 1.751 ( -4.787 0.000 5.999) 7.675 1.925 ( 4.115 -0.000 -2.908) 5.038 2.133 ( -1.132 0.000 -1.314) 1.734 2.136 ( 6.194 -0.000 -2.973) 6.870 2.250 ( -6.390 0.000 29.966) 30.639 2.364 ( 0.166 -0.000 2.070) 2.077 2.449 ( 3.540 -0.000 -9.366) 10.013 2.464 ( 4.939 -0.000 -2.852) 5.704 2.638 ( 0.842 -0.000 -0.435) 0.948 2.778 ( 2.161 -0.000 -3.162) 3.830 2.806 ( -3.630 0.000 7.688) 8.502 2.898 ( 2.130 -0.000 -5.701) 6.086 2.955 ( 2.062 -0.000 -3.572) 4.125 3.027 ( -1.012 0.000 -1.916) 2.167 3.102 ( -0.031 0.000 -4.836) 4.836 3.195 ( -0.679 0.000 0.733) 0.999 3.291 ( -2.796 0.000 -1.988) 3.431 3.317 ( -2.560 0.000 -5.486) 6.054 3.820 ( 5.153 -0.000 12.374) 13.404 3.833 ( 3.061 -0.000 0.028) 3.061 3.891 ( -0.040 0.000 5.928) 5.928 4.018 ( -4.065 0.000 -3.591) 5.424 4.103 ( -1.313 0.000 3.470) 3.710 4.104 ( -0.504 0.000 -3.824) 3.858 4.325 ( 0.434 -0.000 -6.270) 6.285 4.341 ( -3.218 0.000 -3.436) 4.707 4.412 ( 1.948 -0.000 10.510) 10.689 4.426 ( 1.542 -0.000 -3.687) 3.997 4.475 ( -0.248 0.000 -6.881) 6.885 4.579 ( -7.021 0.000 5.716) 9.054 4.664 ( 3.709 -0.000 -8.196) 8.997 5.008 ( 0.583 -0.000 -3.223) 3.275 5.032 ( 1.276 -0.000 14.673) 14.728 5.171 ( -0.304 0.000 -12.493) 12.497 5.264 ( -4.182 0.000 -2.705) 4.981 5.374 ( -3.692 0.000 -2.304) 4.352 5.689 ( 5.267 -0.000 5.079) 7.317 5.705 ( 4.812 -0.000 3.154) 5.754 5.772 ( 2.849 -0.000 3.626) 4.611 5.940 ( 2.389 -0.000 -5.936) 6.398 6.056 ( 1.258 -0.000 -4.564) 4.734 6.060 ( 4.385 -0.000 2.313) 4.958 6.138 ( -1.467 0.000 3.653) 3.937 6.257 ( 3.434 -0.000 -1.046) 3.590 6.448 ( -0.470 0.000 6.841) 6.857 6.660 ( 3.000 -0.000 -5.240) 6.038 6.859 ( 4.168 -0.000 0.796) 4.243 6.880 ( 3.560 -0.000 0.382) 3.580 7.343 ( 0.904 -0.000 1.179) 1.486 7.368 ( 0.292 -0.000 -1.368) 1.399 7.637 ( -5.668 0.000 -0.599) 5.700 7.671 ( -8.092 0.000 0.768) 8.128 7.948 ( 0.118 -0.000 3.324) 3.327 7.967 ( 1.308 -0.000 3.129) 3.391 8.098 ( 0.040 -0.000 -4.898) 4.899 8.284 ( 4.280 -0.000 -3.080) 5.273 8.455 ( -2.778 0.000 -1.302) 3.068 8.486 ( -1.888 0.000 6.234) 6.514 8.657 ( 0.186 -0.000 -4.035) 4.039 8.683 ( 0.712 -0.000 3.198) 3.276 8.781 ( -0.425 0.000 3.181) 3.209 8.840 ( -0.071 0.000 -5.466) 5.467 11.909 ( -0.194 0.000 -2.720) 2.727 11.917 ( 0.239 -0.000 1.903) 1.918 12.068 ( -0.996 0.000 2.412) 2.610 12.153 ( 0.696 -0.000 -1.341) 1.510 15.364 ( -0.689 0.000 0.038) 0.690 15.414 ( 0.321 -0.000 0.216) 0.387 15.718 ( 0.631 -0.000 4.014) 4.063 15.761 ( 0.920 -0.000 -1.897) 2.108 15.895 ( -1.105 0.000 3.858) 4.013 15.973 ( -0.554 0.000 -4.354) 4.389 16.036 ( -2.677 0.000 -2.604) 3.734 16.062 ( -1.253 0.000 -0.381) 1.309 16.268 ( -2.495 0.000 -0.843) 2.634 16.377 ( -2.974 0.000 0.470) 3.011 16.649 ( 11.110 -0.000 6.092) 12.670 16.720 ( 7.248 -0.000 -0.976) 7.314 ======================= Grid point 141 (71/72) ======================= q-point: (-0.14 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -13.142 -1.842 11.252) 17.398 1.016 ( -5.575 2.322 8.466) 10.399 1.153 ( 0.261 0.430 0.164) 0.529 1.403 ( -4.522 -3.372 -9.308) 10.884 1.451 ( -4.272 -6.645 2.544) 8.300 1.575 ( -11.171 -5.292 -4.988) 13.330 1.748 ( -2.409 -1.594 5.839) 6.515 1.957 ( 0.043 -0.880 -5.333) 5.405 2.092 ( 5.235 4.693 0.528) 7.051 2.200 ( 4.781 -0.122 0.482) 4.806 2.259 ( -2.432 1.818 12.918) 13.270 2.360 ( -2.591 -1.607 6.735) 7.393 2.448 ( 2.804 -0.247 -3.198) 4.260 2.546 ( 2.175 -3.077 2.571) 4.562 2.629 ( 0.152 1.312 -1.065) 1.697 2.713 ( -1.074 5.992 0.374) 6.099 2.764 ( 0.241 3.180 2.698) 4.177 2.833 ( -1.530 8.618 -2.375) 9.069 2.956 ( 1.331 -1.556 -7.112) 7.401 3.057 ( -3.531 -2.878 -2.572) 5.231 3.109 ( 0.219 -0.775 -2.625) 2.745 3.162 ( -2.861 -0.569 -1.412) 3.241 3.309 ( -0.525 -4.326 1.428) 4.586 3.340 ( -0.293 -4.108 -4.751) 6.288 3.871 ( 2.173 -0.558 5.822) 6.240 3.882 ( 3.449 -1.786 3.837) 5.460 3.941 ( 6.798 0.592 2.187) 7.166 3.994 ( -2.280 -1.208 -0.906) 2.735 4.029 ( -1.583 1.858 1.312) 2.771 4.160 ( -0.729 -2.551 0.251) 2.665 4.270 ( -4.789 1.315 -4.694) 6.834 4.293 ( 0.542 1.462 -4.101) 4.388 4.421 ( 1.816 1.088 1.215) 2.441 4.474 ( -2.700 -3.822 -0.672) 4.728 4.525 ( -0.746 0.022 1.489) 1.665 4.529 ( 0.114 -1.466 2.055) 2.527 4.678 ( 1.772 0.143 -8.867) 9.044 4.985 ( -1.415 1.132 0.444) 1.866 5.079 ( 0.886 -0.598 6.832) 6.915 5.112 ( -0.357 2.554 -6.346) 6.850 5.240 ( -3.027 -0.897 -2.615) 4.099 5.345 ( -1.432 0.055 -3.174) 3.482 5.707 ( 2.959 1.869 3.287) 4.801 5.743 ( 1.847 1.231 4.013) 4.586 5.791 ( 3.248 0.840 4.027) 5.241 5.961 ( 0.125 -1.076 -6.734) 6.820 6.045 ( 3.560 -0.669 -0.649) 3.680 6.095 ( 3.700 0.211 -0.392) 3.727 6.239 ( -0.232 -6.758 3.750) 7.732 6.283 ( 2.873 0.217 -0.270) 2.894 6.428 ( 0.135 2.861 5.259) 5.988 6.631 ( 1.691 4.515 -4.967) 6.922 6.882 ( 4.976 1.046 0.824) 5.151 6.954 ( 5.642 -1.835 0.581) 5.961 7.311 ( -1.842 3.684 -0.512) 4.151 7.370 ( -2.531 0.348 0.435) 2.591 7.546 ( -2.795 2.115 1.758) 3.922 7.631 ( -3.269 -0.701 -2.848) 4.392 7.904 ( -0.795 3.511 0.187) 3.604 7.974 ( -0.442 1.864 2.183) 2.904 8.120 ( 1.079 -3.455 -1.343) 3.860 8.344 ( 2.139 -2.853 0.357) 3.584 8.424 ( -3.588 -0.492 -1.651) 3.980 8.482 ( -2.903 -0.820 4.310) 5.261 8.648 ( 0.489 1.332 -4.532) 4.749 8.686 ( 2.125 1.066 2.322) 3.323 8.765 ( -1.270 1.268 3.272) 3.732 8.836 ( 0.556 -0.241 -3.838) 3.886 11.913 ( 0.249 -0.767 -2.443) 2.573 11.926 ( -0.423 -0.881 1.684) 1.947 12.054 ( -0.413 1.107 2.731) 2.975 12.146 ( 0.331 1.066 -1.834) 2.147 15.381 ( -0.268 -2.264 0.598) 2.357 15.449 ( 0.193 -3.303 -1.304) 3.556 15.709 ( 0.188 1.784 3.539) 3.968 15.777 ( 1.424 -0.236 -1.706) 2.235 15.883 ( -1.026 0.658 3.225) 3.447 15.943 ( -1.282 1.359 -0.133) 1.873 16.012 ( -1.788 -0.184 -3.422) 3.865 16.037 ( -1.142 1.003 -1.748) 2.316 16.271 ( -1.083 -1.894 -0.260) 2.198 16.362 ( -2.513 -1.089 0.081) 2.740 16.708 ( 7.970 4.229 5.218) 10.423 16.768 ( 7.681 2.714 -1.142) 8.226 ======================= Grid point 148 (72/72) ======================= q-point: (-0.14 -0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -13.058 0.000 13.938) 19.099 1.033 ( -9.958 0.000 17.456) 20.097 1.176 ( 0.287 -0.000 -1.237) 1.270 1.241 ( -6.823 0.000 3.386) 7.617 1.344 ( -0.329 0.000 -12.942) 12.946 1.400 ( -12.205 0.000 -11.129) 16.517 1.754 ( 1.212 -0.000 12.776) 12.833 1.949 ( 0.991 -0.000 -4.286) 4.399 2.171 ( -4.679 0.000 18.630) 19.209 2.229 ( 7.594 -0.000 2.400) 7.964 2.303 ( 6.083 -0.000 6.497) 8.900 2.338 ( -1.809 0.000 0.979) 2.056 2.498 ( 3.240 -0.000 -5.793) 6.637 2.538 ( 2.850 -0.000 -2.034) 3.501 2.597 ( -4.600 0.000 -2.170) 5.086 2.776 ( -1.965 0.000 8.879) 9.094 2.815 ( 3.558 -0.000 -8.774) 9.468 2.890 ( -2.418 0.000 -3.871) 4.564 2.964 ( -0.530 0.000 -3.354) 3.395 2.987 ( -1.678 0.000 -5.345) 5.603 3.090 ( 0.182 -0.000 -3.638) 3.643 3.150 ( -2.491 0.000 -1.487) 2.902 3.247 ( -1.664 0.000 -0.454) 1.725 3.259 ( -1.619 0.000 -3.955) 4.274 3.882 ( 1.060 -0.000 9.154) 9.215 3.903 ( 3.377 -0.000 3.287) 4.713 3.967 ( -0.073 0.000 -3.243) 3.244 3.975 ( 1.138 -0.000 6.657) 6.754 4.091 ( 0.167 -0.000 -2.776) 2.781 4.096 ( 1.297 -0.000 1.742) 2.172 4.237 ( -5.184 0.000 -5.036) 7.227 4.305 ( -0.590 0.000 -8.291) 8.312 4.381 ( -4.056 0.000 2.271) 4.649 4.444 ( 1.885 -0.000 -6.118) 6.402 4.516 ( -2.301 0.000 6.383) 6.785 4.569 ( 8.136 -0.000 6.700) 10.539 4.690 ( 1.519 -0.000 -9.406) 9.527 4.963 ( -3.897 0.000 -3.337) 5.131 5.098 ( 0.991 -0.000 12.295) 12.335 5.140 ( -0.043 0.000 -8.669) 8.670 5.197 ( -1.797 0.000 -3.103) 3.586 5.336 ( -0.256 0.000 -3.412) 3.422 5.754 ( 0.704 -0.000 7.113) 7.148 5.771 ( 0.684 -0.000 7.021) 7.055 5.847 ( 3.875 -0.000 1.461) 4.141 5.949 ( 1.180 -0.000 -8.327) 8.410 6.097 ( -0.614 0.000 0.126) 0.626 6.104 ( 4.515 -0.000 -4.514) 6.384 6.168 ( 2.468 -0.000 6.056) 6.539 6.311 ( 2.881 -0.000 -3.252) 4.344 6.475 ( 1.271 -0.000 7.543) 7.649 6.679 ( 0.241 -0.000 -5.008) 5.014 6.972 ( 6.573 -0.000 1.252) 6.692 6.974 ( 7.557 -0.000 1.556) 7.715 7.327 ( -3.517 0.000 -0.437) 3.544 7.335 ( -4.930 0.000 1.645) 5.197 7.562 ( -3.254 0.000 0.900) 3.376 7.564 ( -1.371 0.000 -2.270) 2.652 7.970 ( 2.033 -0.000 1.573) 2.570 7.989 ( 0.199 -0.000 4.731) 4.736 8.095 ( 1.157 -0.000 -4.028) 4.191 8.293 ( -4.735 0.000 -1.944) 5.119 8.396 ( -0.659 0.000 -2.619) 2.700 8.435 ( -4.274 0.000 3.773) 5.701 8.692 ( 3.803 -0.000 -3.670) 5.285 8.711 ( 1.061 -0.000 0.125) 1.068 8.768 ( -1.849 0.000 4.024) 4.429 8.835 ( 0.896 -0.000 -3.780) 3.884 11.907 ( 0.662 -0.000 -2.272) 2.367 11.913 ( -1.087 0.000 1.271) 1.673 12.068 ( 0.214 -0.000 3.147) 3.154 12.155 ( -0.059 0.000 -1.850) 1.851 15.358 ( 0.020 -0.000 0.377) 0.377 15.408 ( -0.849 0.000 -0.624) 1.054 15.743 ( 1.093 -0.000 2.810) 3.015 15.779 ( 1.167 -0.000 -0.969) 1.517 15.886 ( -0.729 0.000 3.425) 3.502 15.947 ( -0.907 0.000 -3.799) 3.906 15.976 ( -3.195 0.000 0.083) 3.196 16.031 ( -1.371 0.000 -2.135) 2.537 16.250 ( 0.328 -0.000 0.294) 0.440 16.327 ( -2.402 0.000 -0.113) 2.405 16.847 ( 5.958 -0.000 1.135) 6.065 16.876 ( 10.904 -0.000 1.390) 10.992 =================== 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 3/20580 10.0 134.079 193.802 139.419 0.000 -12.477 -0.000 3/20580 20.0 24.459 34.185 26.275 0.000 -2.403 -0.000 3/20580 30.0 10.974 15.004 12.211 0.000 -1.279 -0.000 3/20580 40.0 6.747 9.051 7.624 0.000 -0.846 -0.000 3/20580 50.0 4.797 6.348 5.481 0.000 -0.621 -0.000 3/20580 60.0 3.705 4.852 4.271 0.000 -0.486 -0.000 3/20580 70.0 3.017 3.919 3.503 0.000 -0.398 -0.000 3/20580 80.0 2.547 3.288 2.975 0.000 -0.336 -0.000 3/20580 90.0 2.208 2.834 2.589 0.000 -0.291 -0.000 3/20580 100.0 1.950 2.493 2.296 0.000 -0.257 -0.000 3/20580 110.0 1.749 2.228 2.065 0.000 -0.230 -0.000 3/20580 120.0 1.587 2.016 1.878 0.000 -0.208 -0.000 3/20580 130.0 1.454 1.842 1.724 0.000 -0.190 -0.000 3/20580 140.0 1.342 1.697 1.595 0.000 -0.175 -0.000 3/20580 150.0 1.247 1.574 1.484 0.000 -0.163 -0.000 3/20580 160.0 1.165 1.469 1.389 0.000 -0.152 -0.000 3/20580 170.0 1.094 1.377 1.305 0.000 -0.142 -0.000 3/20580 180.0 1.031 1.297 1.232 0.000 -0.134 -0.000 3/20580 190.0 0.975 1.226 1.167 0.000 -0.127 -0.000 3/20580 200.0 0.926 1.163 1.109 0.000 -0.120 -0.000 3/20580 210.0 0.881 1.106 1.056 0.000 -0.114 -0.000 3/20580 220.0 0.840 1.054 1.008 0.000 -0.109 -0.000 3/20580 230.0 0.804 1.008 0.965 0.000 -0.104 -0.000 3/20580 240.0 0.770 0.965 0.926 0.000 -0.100 -0.000 3/20580 250.0 0.739 0.926 0.889 0.000 -0.096 -0.000 3/20580 260.0 0.711 0.890 0.856 0.000 -0.092 -0.000 3/20580 270.0 0.685 0.857 0.825 0.000 -0.089 -0.000 3/20580 280.0 0.661 0.826 0.796 0.000 -0.085 -0.000 3/20580 290.0 0.638 0.798 0.769 0.000 -0.082 -0.000 3/20580 300.0 0.617 0.771 0.744 0.000 -0.080 -0.000 3/20580 310.0 0.597 0.747 0.721 0.000 -0.077 -0.000 3/20580 320.0 0.579 0.723 0.699 0.000 -0.075 -0.000 3/20580 330.0 0.562 0.702 0.678 0.000 -0.073 -0.000 3/20580 340.0 0.545 0.681 0.659 0.000 -0.070 -0.000 3/20580 350.0 0.530 0.662 0.641 0.000 -0.068 -0.000 3/20580 360.0 0.515 0.644 0.624 0.000 -0.067 -0.000 3/20580 370.0 0.502 0.626 0.607 0.000 -0.065 -0.000 3/20580 380.0 0.489 0.610 0.592 0.000 -0.063 -0.000 3/20580 390.0 0.476 0.595 0.577 0.000 -0.062 -0.000 3/20580 400.0 0.465 0.580 0.563 0.000 -0.060 -0.000 3/20580 410.0 0.454 0.566 0.550 0.000 -0.059 -0.000 3/20580 420.0 0.443 0.553 0.537 0.000 -0.057 -0.000 3/20580 430.0 0.433 0.540 0.525 0.000 -0.056 -0.000 3/20580 440.0 0.423 0.528 0.513 0.000 -0.055 -0.000 3/20580 450.0 0.414 0.516 0.502 0.000 -0.053 -0.000 3/20580 460.0 0.405 0.505 0.492 0.000 -0.052 -0.000 3/20580 470.0 0.397 0.495 0.482 0.000 -0.051 -0.000 3/20580 480.0 0.388 0.485 0.472 0.000 -0.050 -0.000 3/20580 490.0 0.381 0.475 0.462 0.000 -0.049 -0.000 3/20580 500.0 0.373 0.465 0.453 0.000 -0.048 -0.000 3/20580 510.0 0.366 0.456 0.445 0.000 -0.047 -0.000 3/20580 520.0 0.359 0.448 0.436 0.000 -0.046 -0.000 3/20580 530.0 0.352 0.439 0.428 0.000 -0.046 -0.000 3/20580 540.0 0.346 0.431 0.421 0.000 -0.045 -0.000 3/20580 550.0 0.340 0.424 0.413 0.000 -0.044 -0.000 3/20580 560.0 0.334 0.416 0.406 0.000 -0.043 -0.000 3/20580 570.0 0.328 0.409 0.399 0.000 -0.042 -0.000 3/20580 580.0 0.322 0.402 0.393 0.000 -0.042 -0.000 3/20580 590.0 0.317 0.395 0.386 0.000 -0.041 -0.000 3/20580 600.0 0.312 0.389 0.380 0.000 -0.040 -0.000 3/20580 610.0 0.307 0.383 0.374 0.000 -0.040 -0.000 3/20580 620.0 0.302 0.376 0.368 0.000 -0.039 -0.000 3/20580 630.0 0.297 0.371 0.362 0.000 -0.038 -0.000 3/20580 640.0 0.293 0.365 0.357 0.000 -0.038 -0.000 3/20580 650.0 0.288 0.359 0.351 0.000 -0.037 -0.000 3/20580 660.0 0.284 0.354 0.346 0.000 -0.037 -0.000 3/20580 670.0 0.280 0.349 0.341 0.000 -0.036 -0.000 3/20580 680.0 0.276 0.344 0.336 0.000 -0.036 -0.000 3/20580 690.0 0.272 0.339 0.331 0.000 -0.035 -0.000 3/20580 700.0 0.268 0.334 0.327 0.000 -0.035 -0.000 3/20580 710.0 0.264 0.329 0.322 0.000 -0.034 -0.000 3/20580 720.0 0.261 0.325 0.318 0.000 -0.034 -0.000 3/20580 730.0 0.257 0.320 0.314 0.000 -0.033 -0.000 3/20580 740.0 0.254 0.316 0.310 0.000 -0.033 -0.000 3/20580 750.0 0.250 0.312 0.306 0.000 -0.032 -0.000 3/20580 760.0 0.247 0.308 0.302 0.000 -0.032 -0.000 3/20580 770.0 0.244 0.304 0.298 0.000 -0.032 -0.000 3/20580 780.0 0.241 0.300 0.294 0.000 -0.031 -0.000 3/20580 790.0 0.238 0.296 0.290 0.000 -0.031 -0.000 3/20580 800.0 0.235 0.293 0.287 0.000 -0.030 -0.000 3/20580 810.0 0.232 0.289 0.283 0.000 -0.030 -0.000 3/20580 820.0 0.229 0.286 0.280 0.000 -0.030 -0.000 3/20580 830.0 0.227 0.282 0.277 0.000 -0.029 -0.000 3/20580 840.0 0.224 0.279 0.273 0.000 -0.029 -0.000 3/20580 850.0 0.221 0.276 0.270 0.000 -0.029 -0.000 3/20580 860.0 0.219 0.273 0.267 0.000 -0.028 -0.000 3/20580 870.0 0.216 0.269 0.264 0.000 -0.028 -0.000 3/20580 880.0 0.214 0.266 0.261 0.000 -0.028 -0.000 3/20580 890.0 0.211 0.264 0.258 0.000 -0.027 -0.000 3/20580 900.0 0.209 0.261 0.256 0.000 -0.027 -0.000 3/20580 910.0 0.207 0.258 0.253 0.000 -0.027 -0.000 3/20580 920.0 0.205 0.255 0.250 0.000 -0.027 -0.000 3/20580 930.0 0.202 0.252 0.248 0.000 -0.026 -0.000 3/20580 940.0 0.200 0.250 0.245 0.000 -0.026 -0.000 3/20580 950.0 0.198 0.247 0.242 0.000 -0.026 -0.000 3/20580 960.0 0.196 0.245 0.240 0.000 -0.025 -0.000 3/20580 970.0 0.194 0.242 0.238 0.000 -0.025 -0.000 3/20580 980.0 0.192 0.240 0.235 0.000 -0.025 -0.000 3/20580 990.0 0.190 0.237 0.233 0.000 -0.025 -0.000 3/20580 1000.0 0.188 0.235 0.231 0.000 -0.024 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:52:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|