----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:11:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.804134450023791 0.000000000000000 0.000000000000000 b 0.000000000000000 5.948191959999999 0.000000000000000 c -2.890959434191907 0.000000000000000 10.779108128401457 Atomic positions (fractional): *1 Na 0.75547056770359 0.48048236372116 0.16726681940069 22.990 2 Na 0.24452943229641 0.98048236372116 0.33273318059931 22.990 3 Na 0.24452943229641 0.51951763627884 0.83273318059931 22.990 4 Na 0.75547056770359 0.01951763627884 0.66726681940069 22.990 *5 Na 0.60024966552692 0.19131324216780 0.93445852282149 22.990 6 Na 0.39975033447308 0.69131324216780 0.56554147717851 22.990 7 Na 0.39975033447308 0.80868675783220 0.06554147717851 22.990 8 Na 0.60024966552692 0.30868675783220 0.43445852282149 22.990 *9 Na 0.01923814151742 0.74210712363563 0.06237213736691 22.990 10 Na 0.98076185848258 0.24210712363563 0.43762786263309 22.990 11 Na 0.98076185848258 0.25789287636437 0.93762786263309 22.990 12 Na 0.01923814151742 0.75789287636437 0.56237213736691 22.990 *13 Si 0.31081924143909 0.29179033421419 0.13623560119362 28.085 14 Si 0.68918075856091 0.79179033421419 0.36376439880638 28.085 15 Si 0.68918075856091 0.70820966578581 0.86376439880638 28.085 16 Si 0.31081924143909 0.20820966578581 0.63623560119362 28.085 *17 H 0.42162030735442 0.58138006483122 0.32790740353472 1.008 18 H 0.57837969264558 0.08138006483122 0.17209259646528 1.008 19 H 0.57837969264558 0.41861993516878 0.67209259646528 1.008 20 H 0.42162030735442 0.91861993516878 0.82790740353472 1.008 *21 H 0.02029700610430 0.11465148148801 0.17232692595282 1.008 22 H 0.97970299389570 0.61465148148801 0.32767307404718 1.008 23 H 0.97970299389570 0.88534851851199 0.82767307404718 1.008 24 H 0.02029700610430 0.38534851851199 0.67232692595282 1.008 *25 H 0.84164964025470 0.02235920975883 0.21566523208176 1.008 26 H 0.15835035974530 0.52235920975883 0.28433476791825 1.008 27 H 0.15835035974530 0.97764079024117 0.78433476791824 1.008 28 H 0.84164964025470 0.47764079024117 0.71566523208176 1.008 *29 O 0.51397075208545 0.22142603835746 0.12039313110636 15.999 30 O 0.48602924791454 0.72142603835746 0.37960686889364 15.999 31 O 0.48602924791454 0.77857396164254 0.87960686889364 15.999 32 O 0.51397075208545 0.27857396164254 0.62039313110636 15.999 *33 O 0.23301471456677 0.48805204286853 0.03619742259539 15.999 34 O 0.76698528543323 0.98805204286853 0.46380257740461 15.999 35 O 0.76698528543323 0.51194795713147 0.96380257740461 15.999 36 O 0.23301471456677 0.01194795713147 0.53619742259539 15.999 *37 O 0.18622518117143 0.06493734383182 0.11113252228809 15.999 38 O 0.81377481882857 0.56493734383182 0.38886747771191 15.999 39 O 0.81377481882857 0.93506265616818 0.88886747771191 15.999 40 O 0.18622518117143 0.43506265616818 0.61113252228809 15.999 *41 O 0.33448107586754 0.36906136547543 0.28173727400574 15.999 42 O 0.66551892413246 0.86906136547543 0.21826272599426 15.999 43 O 0.66551892413246 0.63093863452457 0.71826272599426 15.999 44 O 0.33448107586754 0.13093863452457 0.78173727400574 15.999 *45 O 0.93204701286165 0.14868552340119 0.22327505062876 15.999 46 O 0.06795298713835 0.64868552340119 0.27672494937124 15.999 47 O 0.06795298713835 0.85131447659881 0.77672494937124 15.999 48 O 0.93204701286165 0.35131447659881 0.72327505062876 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.804134450023791 0.000000000000000 0.000000000000000 b 0.000000000000000 5.948191959999999 0.000000000000000 c -2.890959434191907 0.000000000000000 10.779108128401457 Atomic positions (fractional): *1 Na 0.75547056770359 0.48048236372116 0.16726681940069 22.990 > 1 2 Na 0.24452943229641 0.98048236372116 0.33273318059931 22.990 > 2 3 Na 0.24452943229641 0.51951763627884 0.83273318059931 22.990 > 3 4 Na 0.75547056770359 0.01951763627884 0.66726681940069 22.990 > 4 *5 Na 0.60024966552692 0.19131324216780 0.93445852282149 22.990 > 5 6 Na 0.39975033447308 0.69131324216780 0.56554147717851 22.990 > 6 7 Na 0.39975033447308 0.80868675783220 0.06554147717851 22.990 > 7 8 Na 0.60024966552692 0.30868675783220 0.43445852282149 22.990 > 8 *9 Na 0.01923814151742 0.74210712363563 0.06237213736691 22.990 > 9 10 Na 0.98076185848258 0.24210712363563 0.43762786263309 22.990 > 10 11 Na 0.98076185848258 0.25789287636437 0.93762786263309 22.990 > 11 12 Na 0.01923814151742 0.75789287636437 0.56237213736691 22.990 > 12 *13 Si 0.31081924143909 0.29179033421419 0.13623560119362 28.085 > 13 14 Si 0.68918075856091 0.79179033421419 0.36376439880638 28.085 > 14 15 Si 0.68918075856091 0.70820966578581 0.86376439880638 28.085 > 15 16 Si 0.31081924143909 0.20820966578581 0.63623560119362 28.085 > 16 *17 H 0.42162030735442 0.58138006483122 0.32790740353472 1.008 > 17 18 H 0.57837969264558 0.08138006483122 0.17209259646528 1.008 > 18 19 H 0.57837969264558 0.41861993516878 0.67209259646528 1.008 > 19 20 H 0.42162030735442 0.91861993516878 0.82790740353472 1.008 > 20 *21 H 0.02029700610430 0.11465148148801 0.17232692595282 1.008 > 21 22 H 0.97970299389570 0.61465148148801 0.32767307404718 1.008 > 22 23 H 0.97970299389570 0.88534851851199 0.82767307404718 1.008 > 23 24 H 0.02029700610430 0.38534851851199 0.67232692595282 1.008 > 24 *25 H 0.84164964025470 0.02235920975883 0.21566523208176 1.008 > 25 26 H 0.15835035974530 0.52235920975883 0.28433476791825 1.008 > 26 27 H 0.15835035974530 0.97764079024117 0.78433476791824 1.008 > 27 28 H 0.84164964025470 0.47764079024117 0.71566523208176 1.008 > 28 *29 O 0.51397075208545 0.22142603835746 0.12039313110636 15.999 > 29 30 O 0.48602924791454 0.72142603835746 0.37960686889364 15.999 > 30 31 O 0.48602924791454 0.77857396164254 0.87960686889364 15.999 > 31 32 O 0.51397075208545 0.27857396164254 0.62039313110636 15.999 > 32 *33 O 0.23301471456677 0.48805204286853 0.03619742259539 15.999 > 33 34 O 0.76698528543323 0.98805204286853 0.46380257740461 15.999 > 34 35 O 0.76698528543323 0.51194795713147 0.96380257740461 15.999 > 35 36 O 0.23301471456677 0.01194795713147 0.53619742259539 15.999 > 36 *37 O 0.18622518117143 0.06493734383182 0.11113252228809 15.999 > 37 38 O 0.81377481882857 0.56493734383182 0.38886747771191 15.999 > 38 39 O 0.81377481882857 0.93506265616818 0.88886747771191 15.999 > 39 40 O 0.18622518117143 0.43506265616818 0.61113252228809 15.999 > 40 *41 O 0.33448107586754 0.36906136547543 0.28173727400574 15.999 > 41 42 O 0.66551892413246 0.86906136547543 0.21826272599426 15.999 > 42 43 O 0.66551892413246 0.63093863452457 0.71826272599426 15.999 > 43 44 O 0.33448107586754 0.13093863452457 0.78173727400574 15.999 > 44 *45 O 0.93204701286165 0.14868552340119 0.22327505062876 15.999 > 45 46 O 0.06795298713835 0.64868552340119 0.27672494937124 15.999 > 46 47 O 0.06795298713835 0.85131447659881 0.77672494937124 15.999 > 47 48 O 0.93204701286165 0.35131447659881 0.72327505062876 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.804134450023791 0.000000000000000 0.000000000000000 b 0.000000000000000 11.896383919999998 0.000000000000000 c -2.890959434191907 0.000000000000000 10.779108128401457 Atomic positions (fractional): *1 Na 0.75547056770359 0.24024118186058 0.16726681940069 22.990 > 1 2 Na 0.75547056770359 0.74024118186058 0.16726681940069 22.990 > 1 3 Na 0.24452943229641 0.49024118186058 0.33273318059931 22.990 > 2 4 Na 0.24452943229641 0.99024118186058 0.33273318059931 22.990 > 2 5 Na 0.24452943229641 0.25975881813942 0.83273318059931 22.990 > 3 6 Na 0.24452943229641 0.75975881813942 0.83273318059931 22.990 > 3 7 Na 0.75547056770359 0.00975881813942 0.66726681940069 22.990 > 4 8 Na 0.75547056770359 0.50975881813942 0.66726681940069 22.990 > 4 *9 Na 0.60024966552692 0.09565662108390 0.93445852282149 22.990 > 5 10 Na 0.60024966552692 0.59565662108390 0.93445852282149 22.990 > 5 11 Na 0.39975033447308 0.34565662108390 0.56554147717851 22.990 > 6 12 Na 0.39975033447308 0.84565662108390 0.56554147717851 22.990 > 6 13 Na 0.39975033447308 0.40434337891610 0.06554147717851 22.990 > 7 14 Na 0.39975033447308 0.90434337891610 0.06554147717851 22.990 > 7 15 Na 0.60024966552692 0.15434337891610 0.43445852282149 22.990 > 8 16 Na 0.60024966552692 0.65434337891610 0.43445852282149 22.990 > 8 *17 Na 0.01923814151742 0.37105356181782 0.06237213736691 22.990 > 9 18 Na 0.01923814151742 0.87105356181782 0.06237213736691 22.990 > 9 19 Na 0.98076185848258 0.12105356181782 0.43762786263309 22.990 > 10 20 Na 0.98076185848258 0.62105356181782 0.43762786263309 22.990 > 10 21 Na 0.98076185848258 0.12894643818218 0.93762786263309 22.990 > 11 22 Na 0.98076185848258 0.62894643818218 0.93762786263309 22.990 > 11 23 Na 0.01923814151742 0.37894643818218 0.56237213736691 22.990 > 12 24 Na 0.01923814151742 0.87894643818218 0.56237213736691 22.990 > 12 *25 Si 0.31081924143909 0.14589516710709 0.13623560119362 28.085 > 13 26 Si 0.31081924143909 0.64589516710709 0.13623560119362 28.085 > 13 27 Si 0.68918075856091 0.39589516710709 0.36376439880638 28.085 > 14 28 Si 0.68918075856091 0.89589516710709 0.36376439880638 28.085 > 14 29 Si 0.68918075856091 0.35410483289291 0.86376439880638 28.085 > 15 30 Si 0.68918075856091 0.85410483289291 0.86376439880638 28.085 > 15 31 Si 0.31081924143909 0.10410483289290 0.63623560119362 28.085 > 16 32 Si 0.31081924143909 0.60410483289290 0.63623560119362 28.085 > 16 *33 H 0.42162030735442 0.29069003241561 0.32790740353472 1.008 > 17 34 H 0.42162030735442 0.79069003241561 0.32790740353472 1.008 > 17 35 H 0.57837969264558 0.04069003241561 0.17209259646528 1.008 > 18 36 H 0.57837969264558 0.54069003241561 0.17209259646528 1.008 > 18 37 H 0.57837969264558 0.20930996758439 0.67209259646528 1.008 > 19 38 H 0.57837969264558 0.70930996758439 0.67209259646528 1.008 > 19 39 H 0.42162030735442 0.45930996758439 0.82790740353472 1.008 > 20 40 H 0.42162030735442 0.95930996758439 0.82790740353472 1.008 > 20 *41 H 0.02029700610430 0.05732574074401 0.17232692595282 1.008 > 21 42 H 0.02029700610430 0.55732574074401 0.17232692595282 1.008 > 21 43 H 0.97970299389570 0.30732574074401 0.32767307404718 1.008 > 22 44 H 0.97970299389570 0.80732574074401 0.32767307404718 1.008 > 22 45 H 0.97970299389570 0.44267425925599 0.82767307404718 1.008 > 23 46 H 0.97970299389570 0.94267425925599 0.82767307404718 1.008 > 23 47 H 0.02029700610430 0.19267425925599 0.67232692595282 1.008 > 24 48 H 0.02029700610430 0.69267425925599 0.67232692595282 1.008 > 24 *49 H 0.84164964025470 0.01117960487942 0.21566523208176 1.008 > 25 50 H 0.84164964025470 0.51117960487942 0.21566523208176 1.008 > 25 51 H 0.15835035974530 0.26117960487941 0.28433476791825 1.008 > 26 52 H 0.15835035974530 0.76117960487942 0.28433476791825 1.008 > 26 53 H 0.15835035974530 0.48882039512059 0.78433476791824 1.008 > 27 54 H 0.15835035974530 0.98882039512058 0.78433476791824 1.008 > 27 55 H 0.84164964025470 0.23882039512059 0.71566523208176 1.008 > 28 56 H 0.84164964025470 0.73882039512058 0.71566523208176 1.008 > 28 *57 O 0.51397075208545 0.11071301917873 0.12039313110636 15.999 > 29 58 O 0.51397075208545 0.61071301917873 0.12039313110636 15.999 > 29 59 O 0.48602924791454 0.36071301917873 0.37960686889364 15.999 > 30 60 O 0.48602924791454 0.86071301917873 0.37960686889364 15.999 > 30 61 O 0.48602924791454 0.38928698082127 0.87960686889364 15.999 > 31 62 O 0.48602924791454 0.88928698082127 0.87960686889364 15.999 > 31 63 O 0.51397075208545 0.13928698082127 0.62039313110636 15.999 > 32 64 O 0.51397075208545 0.63928698082127 0.62039313110636 15.999 > 32 *65 O 0.23301471456677 0.24402602143427 0.03619742259539 15.999 > 33 66 O 0.23301471456677 0.74402602143427 0.03619742259539 15.999 > 33 67 O 0.76698528543323 0.49402602143427 0.46380257740461 15.999 > 34 68 O 0.76698528543323 0.99402602143427 0.46380257740461 15.999 > 34 69 O 0.76698528543323 0.25597397856573 0.96380257740461 15.999 > 35 70 O 0.76698528543323 0.75597397856573 0.96380257740461 15.999 > 35 71 O 0.23301471456677 0.00597397856573 0.53619742259539 15.999 > 36 72 O 0.23301471456677 0.50597397856573 0.53619742259539 15.999 > 36 *73 O 0.18622518117143 0.03246867191591 0.11113252228809 15.999 > 37 74 O 0.18622518117143 0.53246867191591 0.11113252228809 15.999 > 37 75 O 0.81377481882857 0.28246867191591 0.38886747771191 15.999 > 38 76 O 0.81377481882857 0.78246867191591 0.38886747771191 15.999 > 38 77 O 0.81377481882857 0.46753132808409 0.88886747771191 15.999 > 39 78 O 0.81377481882857 0.96753132808409 0.88886747771191 15.999 > 39 79 O 0.18622518117143 0.21753132808409 0.61113252228809 15.999 > 40 80 O 0.18622518117143 0.71753132808409 0.61113252228809 15.999 > 40 *81 O 0.33448107586754 0.18453068273771 0.28173727400574 15.999 > 41 82 O 0.33448107586754 0.68453068273771 0.28173727400574 15.999 > 41 83 O 0.66551892413246 0.43453068273771 0.21826272599426 15.999 > 42 84 O 0.66551892413246 0.93453068273771 0.21826272599426 15.999 > 42 85 O 0.66551892413246 0.31546931726229 0.71826272599426 15.999 > 43 86 O 0.66551892413246 0.81546931726229 0.71826272599426 15.999 > 43 87 O 0.33448107586754 0.06546931726229 0.78173727400574 15.999 > 44 88 O 0.33448107586754 0.56546931726229 0.78173727400574 15.999 > 44 *89 O 0.93204701286165 0.07434276170059 0.22327505062876 15.999 > 45 90 O 0.93204701286165 0.57434276170059 0.22327505062876 15.999 > 45 91 O 0.06795298713835 0.32434276170059 0.27672494937124 15.999 > 46 92 O 0.06795298713835 0.82434276170059 0.27672494937124 15.999 > 46 93 O 0.06795298713835 0.42565723829941 0.77672494937124 15.999 > 47 94 O 0.06795298713835 0.92565723829941 0.77672494937124 15.999 > 47 95 O 0.93204701286165 0.17565723829941 0.72327505062876 15.999 > 48 96 O 0.93204701286165 0.67565723829941 0.72327505062876 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5206989 0.0000000 -0.0086923 0.0000000 2.4604657 0.0000000 -0.0086919 0.0000000 2.3915452 -------------------------- Born effective charges -------------------------- 1 Na 1.0265155 0.0192665 0.0141380 -0.0055416 1.0512973 0.0428676 -0.0244658 0.0383752 1.0566477 2 Na 1.0265155 -0.0192665 0.0141380 0.0055416 1.0512973 -0.0428676 -0.0244658 -0.0383752 1.0566477 3 Na 1.0265155 0.0192665 0.0141380 -0.0055416 1.0512973 0.0428676 -0.0244658 0.0383752 1.0566477 4 Na 1.0265155 -0.0192665 0.0141380 0.0055416 1.0512973 -0.0428676 -0.0244658 -0.0383752 1.0566477 5 Na 0.9891357 -0.0146974 -0.0314021 0.0097425 1.0937844 0.0461482 -0.0359023 0.0312267 1.0571413 6 Na 0.9891357 0.0146974 -0.0314021 -0.0097425 1.0937844 -0.0461482 -0.0359023 -0.0312267 1.0571413 7 Na 0.9891357 -0.0146974 -0.0314021 0.0097425 1.0937844 0.0461482 -0.0359023 0.0312267 1.0571413 8 Na 0.9891357 0.0146974 -0.0314021 -0.0097425 1.0937844 -0.0461482 -0.0359023 -0.0312267 1.0571413 9 Na 1.0084496 0.0030088 0.0617094 -0.0029580 1.0450408 0.0227486 0.1159047 0.0092183 1.0723664 10 Na 1.0084496 -0.0030088 0.0617094 0.0029580 1.0450408 -0.0227486 0.1159047 -0.0092183 1.0723664 11 Na 1.0084496 0.0030088 0.0617094 -0.0029580 1.0450408 0.0227486 0.1159047 0.0092183 1.0723664 12 Na 1.0084496 -0.0030088 0.0617094 0.0029580 1.0450408 -0.0227486 0.1159047 -0.0092183 1.0723664 13 Si 2.6020580 0.1078339 0.0091980 -0.1755268 2.6156862 0.2526093 0.0669077 -0.0591366 2.5934408 14 Si 2.6020580 -0.1078339 0.0091980 0.1755268 2.6156862 -0.2526093 0.0669077 0.0591366 2.5934408 15 Si 2.6020580 0.1078339 0.0091980 -0.1755268 2.6156862 0.2526093 0.0669077 -0.0591366 2.5934408 16 Si 2.6020580 -0.1078339 0.0091980 0.1755268 2.6156862 -0.2526093 0.0669077 0.0591366 2.5934408 17 H 0.6060240 0.7084735 0.4103990 0.5372497 1.4142158 0.6207126 0.3246120 0.6663380 0.5920670 18 H 0.6060240 -0.7084735 0.4103990 -0.5372497 1.4142158 -0.6207126 0.3246120 -0.6663380 0.5920670 19 H 0.6060240 0.7084735 0.4103990 0.5372497 1.4142158 0.6207126 0.3246120 0.6663380 0.5920670 20 H 0.6060240 -0.7084735 0.4103990 -0.5372497 1.4142158 -0.6207126 0.3246120 -0.6663380 0.5920670 21 H 1.3578588 -0.1471369 -0.5300561 0.0182127 0.2201987 -0.0319650 -0.3963250 0.0201984 0.4794140 22 H 1.3578588 0.1471369 -0.5300561 -0.0182127 0.2201987 0.0319650 -0.3963250 -0.0201984 0.4794140 23 H 1.3578588 -0.1471369 -0.5300561 0.0182127 0.2201987 -0.0319650 -0.3963250 0.0201984 0.4794140 24 H 1.3578588 0.1471369 -0.5300561 -0.0182127 0.2201987 0.0319650 -0.3963250 -0.0201984 0.4794140 25 H 1.1250622 0.6364874 -0.0086797 0.5384812 0.6674552 -0.0822475 -0.1100818 -0.1574955 0.2719308 26 H 1.1250622 -0.6364874 -0.0086797 -0.5384812 0.6674552 0.0822475 -0.1100818 0.1574955 0.2719308 27 H 1.1250622 0.6364874 -0.0086797 0.5384812 0.6674552 -0.0822475 -0.1100818 -0.1574955 0.2719308 28 H 1.1250622 -0.6364874 -0.0086797 -0.5384812 0.6674552 0.0822475 -0.1100818 0.1574955 0.2719308 29 O -1.9972551 0.5490266 -0.1354521 0.5717101 -1.7101115 0.2648618 -0.0934892 0.3252639 -1.2270038 30 O -1.9972551 -0.5490266 -0.1354521 -0.5717101 -1.7101115 -0.2648618 -0.0934892 -0.3252639 -1.2270038 31 O -1.9972551 0.5490266 -0.1354521 0.5717101 -1.7101115 0.2648618 -0.0934892 0.3252639 -1.2270038 32 O -1.9972551 -0.5490266 -0.1354521 -0.5717101 -1.7101115 -0.2648618 -0.0934892 -0.3252639 -1.2270038 33 O -1.3041197 0.0508952 -0.0933992 0.1131645 -1.6932922 0.3239103 -0.1265898 0.3734247 -1.6801207 34 O -1.3041197 -0.0508952 -0.0933992 -0.1131645 -1.6932922 -0.3239103 -0.1265898 -0.3734247 -1.6801207 35 O -1.3041197 0.0508952 -0.0933992 0.1131645 -1.6932922 0.3239103 -0.1265898 0.3734247 -1.6801207 36 O -1.3041197 -0.0508952 -0.0933992 -0.1131645 -1.6932922 -0.3239103 -0.1265898 -0.3734247 -1.6801207 37 O -1.9034165 -0.3497152 0.0579285 -0.3380681 -1.7918394 -0.1751155 0.0388606 -0.1389970 -1.3163010 38 O -1.9034165 0.3497152 0.0579285 0.3380681 -1.7918394 0.1751155 0.0388606 0.1389970 -1.3163010 39 O -1.9034165 -0.3497152 0.0579285 -0.3380681 -1.7918394 -0.1751155 0.0388606 -0.1389970 -1.3163010 40 O -1.9034165 0.3497152 0.0579285 0.3380681 -1.7918394 0.1751155 0.0388606 0.1389970 -1.3163010 41 O -1.5773724 -0.0906954 -0.0556468 0.0617145 -1.8594918 -0.5639700 -0.0107679 -0.4965307 -1.8811757 42 O -1.5773724 0.0906954 -0.0556468 -0.0617145 -1.8594918 0.5639700 -0.0107679 0.4965307 -1.8811757 43 O -1.5773724 -0.0906954 -0.0556468 0.0617145 -1.8594918 -0.5639700 -0.0107679 -0.4965307 -1.8811757 44 O -1.5773724 0.0906954 -0.0556468 -0.0617145 -1.8594918 0.5639700 -0.0107679 0.4965307 -1.8811757 45 O -1.9329403 -0.2768763 0.3012628 -0.2870424 -1.0529435 0.0850596 0.2513369 0.1155285 -1.0184068 46 O -1.9329403 0.2768763 0.3012628 0.2870424 -1.0529435 -0.0850596 0.2513369 -0.1155285 -1.0184068 47 O -1.9329403 -0.2768763 0.3012628 -0.2870424 -1.0529435 0.0850596 0.2513369 0.1155285 -1.0184068 48 O -1.9329403 0.2768763 0.3012628 0.2870424 -1.0529435 -0.0850596 0.2513369 -0.1155285 -1.0184068 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.124 Solver_block: 200 / 1440 - Time: 0.946 Solver_block: 300 / 1440 - Time: 0.944 Solver_block: 400 / 1440 - Time: 0.940 Solver_block: 500 / 1440 - Time: 0.941 Solver_block: 600 / 1440 - Time: 0.943 Solver_block: 700 / 1440 - Time: 0.944 Solver_block: 800 / 1440 - Time: 0.943 Solver_block: 900 / 1440 - Time: 0.942 Solver_block: 1000 / 1440 - Time: 0.943 Solver_block: 1100 / 1440 - Time: 0.944 Solver_block: 1200 / 1440 - Time: 0.943 Solver_block: 1300 / 1440 - Time: 0.943 Solver_block: 1400 / 1440 - Time: 0.944 Solver_block: 1440 / 1440 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.289 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:12:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:12:42]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.804134450023791 0.000000000000000 0.000000000000000 b 0.000000000000000 5.948191959999999 0.000000000000000 c -2.890959434191907 0.000000000000000 10.779108128401457 Atomic positions (fractional): 1 Na 0.75547056770359 0.48048236372116 0.16726681940069 22.990 2 Na 0.24452943229641 0.98048236372116 0.33273318059931 22.990 3 Na 0.24452943229641 0.51951763627884 0.83273318059931 22.990 4 Na 0.75547056770359 0.01951763627884 0.66726681940069 22.990 5 Na 0.60024966552692 0.19131324216780 0.93445852282149 22.990 6 Na 0.39975033447308 0.69131324216780 0.56554147717851 22.990 7 Na 0.39975033447308 0.80868675783220 0.06554147717851 22.990 8 Na 0.60024966552692 0.30868675783220 0.43445852282149 22.990 9 Na 0.01923814151742 0.74210712363563 0.06237213736691 22.990 10 Na 0.98076185848258 0.24210712363563 0.43762786263309 22.990 11 Na 0.98076185848258 0.25789287636437 0.93762786263309 22.990 12 Na 0.01923814151742 0.75789287636437 0.56237213736691 22.990 13 Si 0.31081924143909 0.29179033421419 0.13623560119362 28.085 14 Si 0.68918075856091 0.79179033421419 0.36376439880638 28.085 15 Si 0.68918075856091 0.70820966578581 0.86376439880638 28.085 16 Si 0.31081924143909 0.20820966578581 0.63623560119362 28.085 17 H 0.42162030735442 0.58138006483122 0.32790740353472 1.008 18 H 0.57837969264558 0.08138006483122 0.17209259646528 1.008 19 H 0.57837969264558 0.41861993516878 0.67209259646528 1.008 20 H 0.42162030735442 0.91861993516878 0.82790740353472 1.008 21 H 0.02029700610430 0.11465148148801 0.17232692595282 1.008 22 H 0.97970299389570 0.61465148148801 0.32767307404718 1.008 23 H 0.97970299389570 0.88534851851199 0.82767307404718 1.008 24 H 0.02029700610430 0.38534851851199 0.67232692595282 1.008 25 H 0.84164964025470 0.02235920975883 0.21566523208176 1.008 26 H 0.15835035974530 0.52235920975883 0.28433476791825 1.008 27 H 0.15835035974530 0.97764079024117 0.78433476791824 1.008 28 H 0.84164964025470 0.47764079024117 0.71566523208176 1.008 29 O 0.51397075208545 0.22142603835746 0.12039313110636 15.999 30 O 0.48602924791454 0.72142603835746 0.37960686889364 15.999 31 O 0.48602924791454 0.77857396164254 0.87960686889364 15.999 32 O 0.51397075208545 0.27857396164254 0.62039313110636 15.999 33 O 0.23301471456677 0.48805204286853 0.03619742259539 15.999 34 O 0.76698528543323 0.98805204286853 0.46380257740461 15.999 35 O 0.76698528543323 0.51194795713147 0.96380257740461 15.999 36 O 0.23301471456677 0.01194795713147 0.53619742259539 15.999 37 O 0.18622518117143 0.06493734383182 0.11113252228809 15.999 38 O 0.81377481882857 0.56493734383182 0.38886747771191 15.999 39 O 0.81377481882857 0.93506265616818 0.88886747771191 15.999 40 O 0.18622518117143 0.43506265616818 0.61113252228809 15.999 41 O 0.33448107586754 0.36906136547543 0.28173727400574 15.999 42 O 0.66551892413246 0.86906136547543 0.21826272599426 15.999 43 O 0.66551892413246 0.63093863452457 0.71826272599426 15.999 44 O 0.33448107586754 0.13093863452457 0.78173727400574 15.999 45 O 0.93204701286165 0.14868552340119 0.22327505062876 15.999 46 O 0.06795298713835 0.64868552340119 0.27672494937124 15.999 47 O 0.06795298713835 0.85131447659881 0.77672494937124 15.999 48 O 0.93204701286165 0.35131447659881 0.72327505062876 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.804134450023791 0.000000000000000 0.000000000000000 b 0.000000000000000 11.896383919999998 0.000000000000000 c -2.890959434191907 0.000000000000000 10.779108128401457 Atomic positions (fractional): 1 Na 0.75547056770359 0.24024118186058 0.16726681940069 22.990 > 1 2 Na 0.75547056770359 0.74024118186058 0.16726681940069 22.990 > 1 3 Na 0.24452943229641 0.49024118186058 0.33273318059931 22.990 > 3 4 Na 0.24452943229641 0.99024118186058 0.33273318059931 22.990 > 3 5 Na 0.24452943229641 0.25975881813942 0.83273318059931 22.990 > 5 6 Na 0.24452943229641 0.75975881813942 0.83273318059931 22.990 > 5 7 Na 0.75547056770359 0.00975881813942 0.66726681940069 22.990 > 7 8 Na 0.75547056770359 0.50975881813942 0.66726681940069 22.990 > 7 9 Na 0.60024966552692 0.09565662108390 0.93445852282149 22.990 > 9 10 Na 0.60024966552692 0.59565662108390 0.93445852282149 22.990 > 9 11 Na 0.39975033447308 0.34565662108390 0.56554147717851 22.990 > 11 12 Na 0.39975033447308 0.84565662108390 0.56554147717851 22.990 > 11 13 Na 0.39975033447308 0.40434337891610 0.06554147717851 22.990 > 13 14 Na 0.39975033447308 0.90434337891610 0.06554147717851 22.990 > 13 15 Na 0.60024966552692 0.15434337891610 0.43445852282149 22.990 > 15 16 Na 0.60024966552692 0.65434337891610 0.43445852282149 22.990 > 15 17 Na 0.01923814151742 0.37105356181782 0.06237213736691 22.990 > 17 18 Na 0.01923814151742 0.87105356181782 0.06237213736691 22.990 > 17 19 Na 0.98076185848258 0.12105356181782 0.43762786263309 22.990 > 19 20 Na 0.98076185848258 0.62105356181782 0.43762786263309 22.990 > 19 21 Na 0.98076185848258 0.12894643818218 0.93762786263309 22.990 > 21 22 Na 0.98076185848258 0.62894643818218 0.93762786263309 22.990 > 21 23 Na 0.01923814151742 0.37894643818218 0.56237213736691 22.990 > 23 24 Na 0.01923814151742 0.87894643818218 0.56237213736691 22.990 > 23 25 Si 0.31081924143909 0.14589516710709 0.13623560119362 28.085 > 25 26 Si 0.31081924143909 0.64589516710709 0.13623560119362 28.085 > 25 27 Si 0.68918075856091 0.39589516710709 0.36376439880638 28.085 > 27 28 Si 0.68918075856091 0.89589516710709 0.36376439880638 28.085 > 27 29 Si 0.68918075856091 0.35410483289291 0.86376439880638 28.085 > 29 30 Si 0.68918075856091 0.85410483289291 0.86376439880638 28.085 > 29 31 Si 0.31081924143909 0.10410483289290 0.63623560119362 28.085 > 31 32 Si 0.31081924143909 0.60410483289290 0.63623560119362 28.085 > 31 33 H 0.42162030735442 0.29069003241561 0.32790740353472 1.008 > 33 34 H 0.42162030735442 0.79069003241561 0.32790740353472 1.008 > 33 35 H 0.57837969264558 0.04069003241561 0.17209259646528 1.008 > 35 36 H 0.57837969264558 0.54069003241561 0.17209259646528 1.008 > 35 37 H 0.57837969264558 0.20930996758439 0.67209259646528 1.008 > 37 38 H 0.57837969264558 0.70930996758439 0.67209259646528 1.008 > 37 39 H 0.42162030735442 0.45930996758439 0.82790740353472 1.008 > 39 40 H 0.42162030735442 0.95930996758439 0.82790740353472 1.008 > 39 41 H 0.02029700610430 0.05732574074401 0.17232692595282 1.008 > 41 42 H 0.02029700610430 0.55732574074401 0.17232692595282 1.008 > 41 43 H 0.97970299389570 0.30732574074401 0.32767307404718 1.008 > 43 44 H 0.97970299389570 0.80732574074401 0.32767307404718 1.008 > 43 45 H 0.97970299389570 0.44267425925599 0.82767307404718 1.008 > 45 46 H 0.97970299389570 0.94267425925599 0.82767307404718 1.008 > 45 47 H 0.02029700610430 0.19267425925599 0.67232692595282 1.008 > 47 48 H 0.02029700610430 0.69267425925599 0.67232692595282 1.008 > 47 49 H 0.84164964025470 0.01117960487942 0.21566523208176 1.008 > 49 50 H 0.84164964025470 0.51117960487942 0.21566523208176 1.008 > 49 51 H 0.15835035974530 0.26117960487941 0.28433476791825 1.008 > 51 52 H 0.15835035974530 0.76117960487942 0.28433476791825 1.008 > 51 53 H 0.15835035974530 0.48882039512059 0.78433476791824 1.008 > 53 54 H 0.15835035974530 0.98882039512058 0.78433476791824 1.008 > 53 55 H 0.84164964025470 0.23882039512059 0.71566523208176 1.008 > 55 56 H 0.84164964025470 0.73882039512058 0.71566523208176 1.008 > 55 57 O 0.51397075208545 0.11071301917873 0.12039313110636 15.999 > 57 58 O 0.51397075208545 0.61071301917873 0.12039313110636 15.999 > 57 59 O 0.48602924791454 0.36071301917873 0.37960686889364 15.999 > 59 60 O 0.48602924791454 0.86071301917873 0.37960686889364 15.999 > 59 61 O 0.48602924791454 0.38928698082127 0.87960686889364 15.999 > 61 62 O 0.48602924791454 0.88928698082127 0.87960686889364 15.999 > 61 63 O 0.51397075208545 0.13928698082127 0.62039313110636 15.999 > 63 64 O 0.51397075208545 0.63928698082127 0.62039313110636 15.999 > 63 65 O 0.23301471456677 0.24402602143427 0.03619742259539 15.999 > 65 66 O 0.23301471456677 0.74402602143427 0.03619742259539 15.999 > 65 67 O 0.76698528543323 0.49402602143427 0.46380257740461 15.999 > 67 68 O 0.76698528543323 0.99402602143427 0.46380257740461 15.999 > 67 69 O 0.76698528543323 0.25597397856573 0.96380257740461 15.999 > 69 70 O 0.76698528543323 0.75597397856573 0.96380257740461 15.999 > 69 71 O 0.23301471456677 0.00597397856573 0.53619742259539 15.999 > 71 72 O 0.23301471456677 0.50597397856573 0.53619742259539 15.999 > 71 73 O 0.18622518117143 0.03246867191591 0.11113252228809 15.999 > 73 74 O 0.18622518117143 0.53246867191591 0.11113252228809 15.999 > 73 75 O 0.81377481882857 0.28246867191591 0.38886747771191 15.999 > 75 76 O 0.81377481882857 0.78246867191591 0.38886747771191 15.999 > 75 77 O 0.81377481882857 0.46753132808409 0.88886747771191 15.999 > 77 78 O 0.81377481882857 0.96753132808409 0.88886747771191 15.999 > 77 79 O 0.18622518117143 0.21753132808409 0.61113252228809 15.999 > 79 80 O 0.18622518117143 0.71753132808409 0.61113252228809 15.999 > 79 81 O 0.33448107586754 0.18453068273771 0.28173727400574 15.999 > 81 82 O 0.33448107586754 0.68453068273771 0.28173727400574 15.999 > 81 83 O 0.66551892413246 0.43453068273771 0.21826272599426 15.999 > 83 84 O 0.66551892413246 0.93453068273771 0.21826272599426 15.999 > 83 85 O 0.66551892413246 0.31546931726229 0.71826272599426 15.999 > 85 86 O 0.66551892413246 0.81546931726229 0.71826272599426 15.999 > 85 87 O 0.33448107586754 0.06546931726229 0.78173727400574 15.999 > 87 88 O 0.33448107586754 0.56546931726229 0.78173727400574 15.999 > 87 89 O 0.93204701286165 0.07434276170059 0.22327505062876 15.999 > 89 90 O 0.93204701286165 0.57434276170059 0.22327505062876 15.999 > 89 91 O 0.06795298713835 0.32434276170059 0.27672494937124 15.999 > 91 92 O 0.06795298713835 0.82434276170059 0.27672494937124 15.999 > 91 93 O 0.06795298713835 0.42565723829941 0.77672494937124 15.999 > 93 94 O 0.06795298713835 0.92565723829941 0.77672494937124 15.999 > 93 95 O 0.93204701286165 0.17565723829941 0.72327505062876 15.999 > 95 96 O 0.93204701286165 0.67565723829941 0.72327505062876 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5206989 0.0000000 -0.0086923 0.0000000 2.4604657 0.0000000 -0.0086919 0.0000000 2.3915452 -------------------------- Born effective charges -------------------------- 1 Na 1.0265155 0.0192665 0.0141380 -0.0055416 1.0512973 0.0428676 -0.0244658 0.0383752 1.0566477 2 Na 1.0265155 -0.0192665 0.0141380 0.0055416 1.0512973 -0.0428676 -0.0244658 -0.0383752 1.0566477 3 Na 1.0265155 0.0192665 0.0141380 -0.0055416 1.0512973 0.0428676 -0.0244658 0.0383752 1.0566477 4 Na 1.0265155 -0.0192665 0.0141380 0.0055416 1.0512973 -0.0428676 -0.0244658 -0.0383752 1.0566477 5 Na 0.9891357 -0.0146974 -0.0314021 0.0097425 1.0937844 0.0461482 -0.0359023 0.0312267 1.0571413 6 Na 0.9891357 0.0146974 -0.0314021 -0.0097425 1.0937844 -0.0461482 -0.0359023 -0.0312267 1.0571413 7 Na 0.9891357 -0.0146974 -0.0314021 0.0097425 1.0937844 0.0461482 -0.0359023 0.0312267 1.0571413 8 Na 0.9891357 0.0146974 -0.0314021 -0.0097425 1.0937844 -0.0461482 -0.0359023 -0.0312267 1.0571413 9 Na 1.0084496 0.0030088 0.0617094 -0.0029580 1.0450408 0.0227486 0.1159047 0.0092183 1.0723664 10 Na 1.0084496 -0.0030088 0.0617094 0.0029580 1.0450408 -0.0227486 0.1159047 -0.0092183 1.0723664 11 Na 1.0084496 0.0030088 0.0617094 -0.0029580 1.0450408 0.0227486 0.1159047 0.0092183 1.0723664 12 Na 1.0084496 -0.0030088 0.0617094 0.0029580 1.0450408 -0.0227486 0.1159047 -0.0092183 1.0723664 13 Si 2.6020580 0.1078339 0.0091980 -0.1755268 2.6156862 0.2526093 0.0669077 -0.0591366 2.5934408 14 Si 2.6020580 -0.1078339 0.0091980 0.1755268 2.6156862 -0.2526093 0.0669077 0.0591366 2.5934408 15 Si 2.6020580 0.1078339 0.0091980 -0.1755268 2.6156862 0.2526093 0.0669077 -0.0591366 2.5934408 16 Si 2.6020580 -0.1078339 0.0091980 0.1755268 2.6156862 -0.2526093 0.0669077 0.0591366 2.5934408 17 H 0.6060240 0.7084735 0.4103990 0.5372497 1.4142158 0.6207126 0.3246120 0.6663380 0.5920670 18 H 0.6060240 -0.7084735 0.4103990 -0.5372497 1.4142158 -0.6207126 0.3246120 -0.6663380 0.5920670 19 H 0.6060240 0.7084735 0.4103990 0.5372497 1.4142158 0.6207126 0.3246120 0.6663380 0.5920670 20 H 0.6060240 -0.7084735 0.4103990 -0.5372497 1.4142158 -0.6207126 0.3246120 -0.6663380 0.5920670 21 H 1.3578588 -0.1471369 -0.5300561 0.0182127 0.2201987 -0.0319650 -0.3963250 0.0201984 0.4794140 22 H 1.3578588 0.1471369 -0.5300561 -0.0182127 0.2201987 0.0319650 -0.3963250 -0.0201984 0.4794140 23 H 1.3578588 -0.1471369 -0.5300561 0.0182127 0.2201987 -0.0319650 -0.3963250 0.0201984 0.4794140 24 H 1.3578588 0.1471369 -0.5300561 -0.0182127 0.2201987 0.0319650 -0.3963250 -0.0201984 0.4794140 25 H 1.1250622 0.6364874 -0.0086797 0.5384812 0.6674552 -0.0822475 -0.1100818 -0.1574955 0.2719308 26 H 1.1250622 -0.6364874 -0.0086797 -0.5384812 0.6674552 0.0822475 -0.1100818 0.1574955 0.2719308 27 H 1.1250622 0.6364874 -0.0086797 0.5384812 0.6674552 -0.0822475 -0.1100818 -0.1574955 0.2719308 28 H 1.1250622 -0.6364874 -0.0086797 -0.5384812 0.6674552 0.0822475 -0.1100818 0.1574955 0.2719308 29 O -1.9972551 0.5490266 -0.1354521 0.5717101 -1.7101115 0.2648618 -0.0934892 0.3252639 -1.2270038 30 O -1.9972551 -0.5490266 -0.1354521 -0.5717101 -1.7101115 -0.2648618 -0.0934892 -0.3252639 -1.2270038 31 O -1.9972551 0.5490266 -0.1354521 0.5717101 -1.7101115 0.2648618 -0.0934892 0.3252639 -1.2270038 32 O -1.9972551 -0.5490266 -0.1354521 -0.5717101 -1.7101115 -0.2648618 -0.0934892 -0.3252639 -1.2270038 33 O -1.3041197 0.0508952 -0.0933992 0.1131645 -1.6932922 0.3239103 -0.1265898 0.3734247 -1.6801207 34 O -1.3041197 -0.0508952 -0.0933992 -0.1131645 -1.6932922 -0.3239103 -0.1265898 -0.3734247 -1.6801207 35 O -1.3041197 0.0508952 -0.0933992 0.1131645 -1.6932922 0.3239103 -0.1265898 0.3734247 -1.6801207 36 O -1.3041197 -0.0508952 -0.0933992 -0.1131645 -1.6932922 -0.3239103 -0.1265898 -0.3734247 -1.6801207 37 O -1.9034165 -0.3497152 0.0579285 -0.3380681 -1.7918394 -0.1751155 0.0388606 -0.1389970 -1.3163010 38 O -1.9034165 0.3497152 0.0579285 0.3380681 -1.7918394 0.1751155 0.0388606 0.1389970 -1.3163010 39 O -1.9034165 -0.3497152 0.0579285 -0.3380681 -1.7918394 -0.1751155 0.0388606 -0.1389970 -1.3163010 40 O -1.9034165 0.3497152 0.0579285 0.3380681 -1.7918394 0.1751155 0.0388606 0.1389970 -1.3163010 41 O -1.5773724 -0.0906954 -0.0556468 0.0617145 -1.8594918 -0.5639700 -0.0107679 -0.4965307 -1.8811757 42 O -1.5773724 0.0906954 -0.0556468 -0.0617145 -1.8594918 0.5639700 -0.0107679 0.4965307 -1.8811757 43 O -1.5773724 -0.0906954 -0.0556468 0.0617145 -1.8594918 -0.5639700 -0.0107679 -0.4965307 -1.8811757 44 O -1.5773724 0.0906954 -0.0556468 -0.0617145 -1.8594918 0.5639700 -0.0107679 0.4965307 -1.8811757 45 O -1.9329403 -0.2768763 0.3012628 -0.2870424 -1.0529435 0.0850596 0.2513369 0.1155285 -1.0184068 46 O -1.9329403 0.2768763 0.3012628 0.2870424 -1.0529435 -0.0850596 0.2513369 -0.1155285 -1.0184068 47 O -1.9329403 -0.2768763 0.3012628 -0.2870424 -1.0529435 0.0850596 0.2513369 0.1155285 -1.0184068 48 O -1.9329403 0.2768763 0.3012628 0.2870424 -1.0529435 -0.0850596 0.2513369 -0.1155285 -1.0184068 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 57, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 89, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (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 22:13:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:13:24]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.804134450023791 0.000000000000000 0.000000000000000 b 0.000000000000000 5.948191959999999 0.000000000000000 c -2.890959434191907 0.000000000000000 10.779108128401457 Atomic positions (fractional): 1 Na 0.75547056770359 0.48048236372116 0.16726681940069 22.990 2 Na 0.24452943229641 0.98048236372116 0.33273318059931 22.990 3 Na 0.24452943229641 0.51951763627884 0.83273318059931 22.990 4 Na 0.75547056770359 0.01951763627884 0.66726681940069 22.990 5 Na 0.60024966552692 0.19131324216780 0.93445852282149 22.990 6 Na 0.39975033447308 0.69131324216780 0.56554147717851 22.990 7 Na 0.39975033447308 0.80868675783220 0.06554147717851 22.990 8 Na 0.60024966552692 0.30868675783220 0.43445852282149 22.990 9 Na 0.01923814151742 0.74210712363563 0.06237213736691 22.990 10 Na 0.98076185848258 0.24210712363563 0.43762786263309 22.990 11 Na 0.98076185848258 0.25789287636437 0.93762786263309 22.990 12 Na 0.01923814151742 0.75789287636437 0.56237213736691 22.990 13 Si 0.31081924143909 0.29179033421419 0.13623560119362 28.085 14 Si 0.68918075856091 0.79179033421419 0.36376439880638 28.085 15 Si 0.68918075856091 0.70820966578581 0.86376439880638 28.085 16 Si 0.31081924143909 0.20820966578581 0.63623560119362 28.085 17 H 0.42162030735442 0.58138006483122 0.32790740353472 1.008 18 H 0.57837969264558 0.08138006483122 0.17209259646528 1.008 19 H 0.57837969264558 0.41861993516878 0.67209259646528 1.008 20 H 0.42162030735442 0.91861993516878 0.82790740353472 1.008 21 H 0.02029700610430 0.11465148148801 0.17232692595282 1.008 22 H 0.97970299389570 0.61465148148801 0.32767307404718 1.008 23 H 0.97970299389570 0.88534851851199 0.82767307404718 1.008 24 H 0.02029700610430 0.38534851851199 0.67232692595282 1.008 25 H 0.84164964025470 0.02235920975883 0.21566523208176 1.008 26 H 0.15835035974530 0.52235920975883 0.28433476791825 1.008 27 H 0.15835035974530 0.97764079024117 0.78433476791824 1.008 28 H 0.84164964025470 0.47764079024117 0.71566523208176 1.008 29 O 0.51397075208545 0.22142603835746 0.12039313110636 15.999 30 O 0.48602924791454 0.72142603835746 0.37960686889364 15.999 31 O 0.48602924791454 0.77857396164254 0.87960686889364 15.999 32 O 0.51397075208545 0.27857396164254 0.62039313110636 15.999 33 O 0.23301471456677 0.48805204286853 0.03619742259539 15.999 34 O 0.76698528543323 0.98805204286853 0.46380257740461 15.999 35 O 0.76698528543323 0.51194795713147 0.96380257740461 15.999 36 O 0.23301471456677 0.01194795713147 0.53619742259539 15.999 37 O 0.18622518117143 0.06493734383182 0.11113252228809 15.999 38 O 0.81377481882857 0.56493734383182 0.38886747771191 15.999 39 O 0.81377481882857 0.93506265616818 0.88886747771191 15.999 40 O 0.18622518117143 0.43506265616818 0.61113252228809 15.999 41 O 0.33448107586754 0.36906136547543 0.28173727400574 15.999 42 O 0.66551892413246 0.86906136547543 0.21826272599426 15.999 43 O 0.66551892413246 0.63093863452457 0.71826272599426 15.999 44 O 0.33448107586754 0.13093863452457 0.78173727400574 15.999 45 O 0.93204701286165 0.14868552340119 0.22327505062876 15.999 46 O 0.06795298713835 0.64868552340119 0.27672494937124 15.999 47 O 0.06795298713835 0.85131447659881 0.77672494937124 15.999 48 O 0.93204701286165 0.35131447659881 0.72327505062876 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.804134450023791 0.000000000000000 0.000000000000000 b 0.000000000000000 11.896383919999998 0.000000000000000 c -2.890959434191907 0.000000000000000 10.779108128401457 Atomic positions (fractional): 1 Na 0.75547056770359 0.24024118186058 0.16726681940069 22.990 > 1 2 Na 0.75547056770359 0.74024118186058 0.16726681940069 22.990 > 1 3 Na 0.24452943229641 0.49024118186058 0.33273318059931 22.990 > 3 4 Na 0.24452943229641 0.99024118186058 0.33273318059931 22.990 > 3 5 Na 0.24452943229641 0.25975881813942 0.83273318059931 22.990 > 5 6 Na 0.24452943229641 0.75975881813942 0.83273318059931 22.990 > 5 7 Na 0.75547056770359 0.00975881813942 0.66726681940069 22.990 > 7 8 Na 0.75547056770359 0.50975881813942 0.66726681940069 22.990 > 7 9 Na 0.60024966552692 0.09565662108390 0.93445852282149 22.990 > 9 10 Na 0.60024966552692 0.59565662108390 0.93445852282149 22.990 > 9 11 Na 0.39975033447308 0.34565662108390 0.56554147717851 22.990 > 11 12 Na 0.39975033447308 0.84565662108390 0.56554147717851 22.990 > 11 13 Na 0.39975033447308 0.40434337891610 0.06554147717851 22.990 > 13 14 Na 0.39975033447308 0.90434337891610 0.06554147717851 22.990 > 13 15 Na 0.60024966552692 0.15434337891610 0.43445852282149 22.990 > 15 16 Na 0.60024966552692 0.65434337891610 0.43445852282149 22.990 > 15 17 Na 0.01923814151742 0.37105356181782 0.06237213736691 22.990 > 17 18 Na 0.01923814151742 0.87105356181782 0.06237213736691 22.990 > 17 19 Na 0.98076185848258 0.12105356181782 0.43762786263309 22.990 > 19 20 Na 0.98076185848258 0.62105356181782 0.43762786263309 22.990 > 19 21 Na 0.98076185848258 0.12894643818218 0.93762786263309 22.990 > 21 22 Na 0.98076185848258 0.62894643818218 0.93762786263309 22.990 > 21 23 Na 0.01923814151742 0.37894643818218 0.56237213736691 22.990 > 23 24 Na 0.01923814151742 0.87894643818218 0.56237213736691 22.990 > 23 25 Si 0.31081924143909 0.14589516710709 0.13623560119362 28.085 > 25 26 Si 0.31081924143909 0.64589516710709 0.13623560119362 28.085 > 25 27 Si 0.68918075856091 0.39589516710709 0.36376439880638 28.085 > 27 28 Si 0.68918075856091 0.89589516710709 0.36376439880638 28.085 > 27 29 Si 0.68918075856091 0.35410483289291 0.86376439880638 28.085 > 29 30 Si 0.68918075856091 0.85410483289291 0.86376439880638 28.085 > 29 31 Si 0.31081924143909 0.10410483289290 0.63623560119362 28.085 > 31 32 Si 0.31081924143909 0.60410483289290 0.63623560119362 28.085 > 31 33 H 0.42162030735442 0.29069003241561 0.32790740353472 1.008 > 33 34 H 0.42162030735442 0.79069003241561 0.32790740353472 1.008 > 33 35 H 0.57837969264558 0.04069003241561 0.17209259646528 1.008 > 35 36 H 0.57837969264558 0.54069003241561 0.17209259646528 1.008 > 35 37 H 0.57837969264558 0.20930996758439 0.67209259646528 1.008 > 37 38 H 0.57837969264558 0.70930996758439 0.67209259646528 1.008 > 37 39 H 0.42162030735442 0.45930996758439 0.82790740353472 1.008 > 39 40 H 0.42162030735442 0.95930996758439 0.82790740353472 1.008 > 39 41 H 0.02029700610430 0.05732574074401 0.17232692595282 1.008 > 41 42 H 0.02029700610430 0.55732574074401 0.17232692595282 1.008 > 41 43 H 0.97970299389570 0.30732574074401 0.32767307404718 1.008 > 43 44 H 0.97970299389570 0.80732574074401 0.32767307404718 1.008 > 43 45 H 0.97970299389570 0.44267425925599 0.82767307404718 1.008 > 45 46 H 0.97970299389570 0.94267425925599 0.82767307404718 1.008 > 45 47 H 0.02029700610430 0.19267425925599 0.67232692595282 1.008 > 47 48 H 0.02029700610430 0.69267425925599 0.67232692595282 1.008 > 47 49 H 0.84164964025470 0.01117960487942 0.21566523208176 1.008 > 49 50 H 0.84164964025470 0.51117960487942 0.21566523208176 1.008 > 49 51 H 0.15835035974530 0.26117960487941 0.28433476791825 1.008 > 51 52 H 0.15835035974530 0.76117960487942 0.28433476791825 1.008 > 51 53 H 0.15835035974530 0.48882039512059 0.78433476791824 1.008 > 53 54 H 0.15835035974530 0.98882039512058 0.78433476791824 1.008 > 53 55 H 0.84164964025470 0.23882039512059 0.71566523208176 1.008 > 55 56 H 0.84164964025470 0.73882039512058 0.71566523208176 1.008 > 55 57 O 0.51397075208545 0.11071301917873 0.12039313110636 15.999 > 57 58 O 0.51397075208545 0.61071301917873 0.12039313110636 15.999 > 57 59 O 0.48602924791454 0.36071301917873 0.37960686889364 15.999 > 59 60 O 0.48602924791454 0.86071301917873 0.37960686889364 15.999 > 59 61 O 0.48602924791454 0.38928698082127 0.87960686889364 15.999 > 61 62 O 0.48602924791454 0.88928698082127 0.87960686889364 15.999 > 61 63 O 0.51397075208545 0.13928698082127 0.62039313110636 15.999 > 63 64 O 0.51397075208545 0.63928698082127 0.62039313110636 15.999 > 63 65 O 0.23301471456677 0.24402602143427 0.03619742259539 15.999 > 65 66 O 0.23301471456677 0.74402602143427 0.03619742259539 15.999 > 65 67 O 0.76698528543323 0.49402602143427 0.46380257740461 15.999 > 67 68 O 0.76698528543323 0.99402602143427 0.46380257740461 15.999 > 67 69 O 0.76698528543323 0.25597397856573 0.96380257740461 15.999 > 69 70 O 0.76698528543323 0.75597397856573 0.96380257740461 15.999 > 69 71 O 0.23301471456677 0.00597397856573 0.53619742259539 15.999 > 71 72 O 0.23301471456677 0.50597397856573 0.53619742259539 15.999 > 71 73 O 0.18622518117143 0.03246867191591 0.11113252228809 15.999 > 73 74 O 0.18622518117143 0.53246867191591 0.11113252228809 15.999 > 73 75 O 0.81377481882857 0.28246867191591 0.38886747771191 15.999 > 75 76 O 0.81377481882857 0.78246867191591 0.38886747771191 15.999 > 75 77 O 0.81377481882857 0.46753132808409 0.88886747771191 15.999 > 77 78 O 0.81377481882857 0.96753132808409 0.88886747771191 15.999 > 77 79 O 0.18622518117143 0.21753132808409 0.61113252228809 15.999 > 79 80 O 0.18622518117143 0.71753132808409 0.61113252228809 15.999 > 79 81 O 0.33448107586754 0.18453068273771 0.28173727400574 15.999 > 81 82 O 0.33448107586754 0.68453068273771 0.28173727400574 15.999 > 81 83 O 0.66551892413246 0.43453068273771 0.21826272599426 15.999 > 83 84 O 0.66551892413246 0.93453068273771 0.21826272599426 15.999 > 83 85 O 0.66551892413246 0.31546931726229 0.71826272599426 15.999 > 85 86 O 0.66551892413246 0.81546931726229 0.71826272599426 15.999 > 85 87 O 0.33448107586754 0.06546931726229 0.78173727400574 15.999 > 87 88 O 0.33448107586754 0.56546931726229 0.78173727400574 15.999 > 87 89 O 0.93204701286165 0.07434276170059 0.22327505062876 15.999 > 89 90 O 0.93204701286165 0.57434276170059 0.22327505062876 15.999 > 89 91 O 0.06795298713835 0.32434276170059 0.27672494937124 15.999 > 91 92 O 0.06795298713835 0.82434276170059 0.27672494937124 15.999 > 91 93 O 0.06795298713835 0.42565723829941 0.77672494937124 15.999 > 93 94 O 0.06795298713835 0.92565723829941 0.77672494937124 15.999 > 93 95 O 0.93204701286165 0.17565723829941 0.72327505062876 15.999 > 95 96 O 0.93204701286165 0.67565723829941 0.72327505062876 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5206989 0.0000000 -0.0086923 0.0000000 2.4604657 0.0000000 -0.0086919 0.0000000 2.3915452 -------------------------- Born effective charges -------------------------- 1 Na 1.0265155 0.0192665 0.0141380 -0.0055416 1.0512973 0.0428676 -0.0244658 0.0383752 1.0566477 2 Na 1.0265155 -0.0192665 0.0141380 0.0055416 1.0512973 -0.0428676 -0.0244658 -0.0383752 1.0566477 3 Na 1.0265155 0.0192665 0.0141380 -0.0055416 1.0512973 0.0428676 -0.0244658 0.0383752 1.0566477 4 Na 1.0265155 -0.0192665 0.0141380 0.0055416 1.0512973 -0.0428676 -0.0244658 -0.0383752 1.0566477 5 Na 0.9891357 -0.0146974 -0.0314021 0.0097425 1.0937844 0.0461482 -0.0359023 0.0312267 1.0571413 6 Na 0.9891357 0.0146974 -0.0314021 -0.0097425 1.0937844 -0.0461482 -0.0359023 -0.0312267 1.0571413 7 Na 0.9891357 -0.0146974 -0.0314021 0.0097425 1.0937844 0.0461482 -0.0359023 0.0312267 1.0571413 8 Na 0.9891357 0.0146974 -0.0314021 -0.0097425 1.0937844 -0.0461482 -0.0359023 -0.0312267 1.0571413 9 Na 1.0084496 0.0030088 0.0617094 -0.0029580 1.0450408 0.0227486 0.1159047 0.0092183 1.0723664 10 Na 1.0084496 -0.0030088 0.0617094 0.0029580 1.0450408 -0.0227486 0.1159047 -0.0092183 1.0723664 11 Na 1.0084496 0.0030088 0.0617094 -0.0029580 1.0450408 0.0227486 0.1159047 0.0092183 1.0723664 12 Na 1.0084496 -0.0030088 0.0617094 0.0029580 1.0450408 -0.0227486 0.1159047 -0.0092183 1.0723664 13 Si 2.6020580 0.1078339 0.0091980 -0.1755268 2.6156862 0.2526093 0.0669077 -0.0591366 2.5934408 14 Si 2.6020580 -0.1078339 0.0091980 0.1755268 2.6156862 -0.2526093 0.0669077 0.0591366 2.5934408 15 Si 2.6020580 0.1078339 0.0091980 -0.1755268 2.6156862 0.2526093 0.0669077 -0.0591366 2.5934408 16 Si 2.6020580 -0.1078339 0.0091980 0.1755268 2.6156862 -0.2526093 0.0669077 0.0591366 2.5934408 17 H 0.6060240 0.7084735 0.4103990 0.5372497 1.4142158 0.6207126 0.3246120 0.6663380 0.5920670 18 H 0.6060240 -0.7084735 0.4103990 -0.5372497 1.4142158 -0.6207126 0.3246120 -0.6663380 0.5920670 19 H 0.6060240 0.7084735 0.4103990 0.5372497 1.4142158 0.6207126 0.3246120 0.6663380 0.5920670 20 H 0.6060240 -0.7084735 0.4103990 -0.5372497 1.4142158 -0.6207126 0.3246120 -0.6663380 0.5920670 21 H 1.3578588 -0.1471369 -0.5300561 0.0182127 0.2201987 -0.0319650 -0.3963250 0.0201984 0.4794140 22 H 1.3578588 0.1471369 -0.5300561 -0.0182127 0.2201987 0.0319650 -0.3963250 -0.0201984 0.4794140 23 H 1.3578588 -0.1471369 -0.5300561 0.0182127 0.2201987 -0.0319650 -0.3963250 0.0201984 0.4794140 24 H 1.3578588 0.1471369 -0.5300561 -0.0182127 0.2201987 0.0319650 -0.3963250 -0.0201984 0.4794140 25 H 1.1250622 0.6364874 -0.0086797 0.5384812 0.6674552 -0.0822475 -0.1100818 -0.1574955 0.2719308 26 H 1.1250622 -0.6364874 -0.0086797 -0.5384812 0.6674552 0.0822475 -0.1100818 0.1574955 0.2719308 27 H 1.1250622 0.6364874 -0.0086797 0.5384812 0.6674552 -0.0822475 -0.1100818 -0.1574955 0.2719308 28 H 1.1250622 -0.6364874 -0.0086797 -0.5384812 0.6674552 0.0822475 -0.1100818 0.1574955 0.2719308 29 O -1.9972551 0.5490266 -0.1354521 0.5717101 -1.7101115 0.2648618 -0.0934892 0.3252639 -1.2270038 30 O -1.9972551 -0.5490266 -0.1354521 -0.5717101 -1.7101115 -0.2648618 -0.0934892 -0.3252639 -1.2270038 31 O -1.9972551 0.5490266 -0.1354521 0.5717101 -1.7101115 0.2648618 -0.0934892 0.3252639 -1.2270038 32 O -1.9972551 -0.5490266 -0.1354521 -0.5717101 -1.7101115 -0.2648618 -0.0934892 -0.3252639 -1.2270038 33 O -1.3041197 0.0508952 -0.0933992 0.1131645 -1.6932922 0.3239103 -0.1265898 0.3734247 -1.6801207 34 O -1.3041197 -0.0508952 -0.0933992 -0.1131645 -1.6932922 -0.3239103 -0.1265898 -0.3734247 -1.6801207 35 O -1.3041197 0.0508952 -0.0933992 0.1131645 -1.6932922 0.3239103 -0.1265898 0.3734247 -1.6801207 36 O -1.3041197 -0.0508952 -0.0933992 -0.1131645 -1.6932922 -0.3239103 -0.1265898 -0.3734247 -1.6801207 37 O -1.9034165 -0.3497152 0.0579285 -0.3380681 -1.7918394 -0.1751155 0.0388606 -0.1389970 -1.3163010 38 O -1.9034165 0.3497152 0.0579285 0.3380681 -1.7918394 0.1751155 0.0388606 0.1389970 -1.3163010 39 O -1.9034165 -0.3497152 0.0579285 -0.3380681 -1.7918394 -0.1751155 0.0388606 -0.1389970 -1.3163010 40 O -1.9034165 0.3497152 0.0579285 0.3380681 -1.7918394 0.1751155 0.0388606 0.1389970 -1.3163010 41 O -1.5773724 -0.0906954 -0.0556468 0.0617145 -1.8594918 -0.5639700 -0.0107679 -0.4965307 -1.8811757 42 O -1.5773724 0.0906954 -0.0556468 -0.0617145 -1.8594918 0.5639700 -0.0107679 0.4965307 -1.8811757 43 O -1.5773724 -0.0906954 -0.0556468 0.0617145 -1.8594918 -0.5639700 -0.0107679 -0.4965307 -1.8811757 44 O -1.5773724 0.0906954 -0.0556468 -0.0617145 -1.8594918 0.5639700 -0.0107679 0.4965307 -1.8811757 45 O -1.9329403 -0.2768763 0.3012628 -0.2870424 -1.0529435 0.0850596 0.2513369 0.1155285 -1.0184068 46 O -1.9329403 0.2768763 0.3012628 0.2870424 -1.0529435 -0.0850596 0.2513369 -0.1155285 -1.0184068 47 O -1.9329403 -0.2768763 0.3012628 -0.2870424 -1.0529435 0.0850596 0.2513369 0.1155285 -1.0184068 48 O -1.9329403 0.2768763 0.3012628 0.2870424 -1.0529435 -0.0850596 0.2513369 -0.1155285 -1.0184068 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.450 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.021 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 10.749 ( 0.000 0.000 0.000) 0.000 10.825 ( 0.000 0.000 0.000) 0.000 10.897 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 11.619 ( 0.000 0.000 0.000) 0.000 13.626 ( 0.000 0.000 0.000) 0.000 13.720 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000 13.920 ( 0.000 0.000 0.000) 0.000 14.004 ( 0.000 0.000 0.000) 0.000 14.064 ( 0.000 0.000 0.000) 0.000 14.435 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.478 ( 0.000 0.000 0.000) 0.000 14.995 ( 0.000 0.000 0.000) 0.000 15.189 ( 0.000 0.000 0.000) 0.000 15.457 ( 0.000 0.000 0.000) 0.000 22.519 ( 0.000 0.000 0.000) 0.000 22.526 ( 0.000 0.000 0.000) 0.000 23.419 ( 0.000 0.000 0.000) 0.000 23.434 ( 0.000 0.000 0.000) 0.000 23.719 ( 0.000 0.000 0.000) 0.000 23.772 ( 0.000 0.000 0.000) 0.000 25.434 ( 0.000 0.000 0.000) 0.000 25.713 ( 0.000 0.000 0.000) 0.000 25.727 ( 0.000 0.000 0.000) 0.000 26.010 ( 0.000 0.000 0.000) 0.000 26.100 ( 0.000 0.000 0.000) 0.000 26.474 ( 0.000 0.000 0.000) 0.000 26.892 ( 0.000 0.000 0.000) 0.000 27.098 ( 0.000 0.000 0.000) 0.000 27.109 ( 0.000 0.000 0.000) 0.000 27.473 ( 0.000 0.000 0.000) 0.000 28.231 ( 0.000 0.000 0.000) 0.000 28.235 ( 0.000 0.000 0.000) 0.000 28.283 ( 0.000 0.000 0.000) 0.000 28.667 ( 0.000 0.000 0.000) 0.000 28.709 ( 0.000 0.000 0.000) 0.000 29.015 ( 0.000 0.000 0.000) 0.000 29.099 ( 0.000 0.000 0.000) 0.000 29.631 ( 0.000 0.000 0.000) 0.000 31.977 ( 0.000 0.000 0.000) 0.000 32.050 ( 0.000 0.000 0.000) 0.000 32.088 ( 0.000 0.000 0.000) 0.000 32.098 ( 0.000 0.000 0.000) 0.000 35.007 ( 0.000 0.000 0.000) 0.000 35.055 ( 0.000 0.000 0.000) 0.000 35.388 ( 0.000 0.000 0.000) 0.000 35.497 ( 0.000 0.000 0.000) 0.000 39.233 ( 0.000 0.000 0.000) 0.000 39.269 ( 0.000 0.000 0.000) 0.000 39.420 ( 0.000 0.000 0.000) 0.000 39.434 ( 0.000 0.000 0.000) 0.000 46.812 ( 0.000 0.000 0.000) 0.000 46.866 ( 0.000 0.000 0.000) 0.000 47.414 ( 0.000 0.000 0.000) 0.000 47.506 ( 0.000 0.000 0.000) 0.000 63.991 ( 0.000 0.000 0.000) 0.000 64.054 ( 0.000 0.000 0.000) 0.000 66.002 ( 0.000 0.000 0.000) 0.000 66.380 ( 0.000 0.000 0.000) 0.000 85.162 ( 0.000 0.000 0.000) 0.000 85.220 ( 0.000 0.000 0.000) 0.000 85.389 ( 0.000 0.000 0.000) 0.000 85.472 ( 0.000 0.000 0.000) 0.000 87.230 ( 0.000 0.000 0.000) 0.000 87.247 ( 0.000 0.000 0.000) 0.000 87.318 ( 0.000 0.000 0.000) 0.000 87.324 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 15.269 0.000 7.743) 17.120 0.621 ( 30.737 0.000 9.752) 32.247 1.153 ( 55.560 0.000 20.676) 59.283 2.225 ( -8.720 0.000 -12.537) 15.271 2.487 ( -6.112 0.000 -10.617) 12.251 2.538 ( -1.850 0.000 9.884) 10.056 2.991 ( -17.596 0.000 -16.816) 24.339 3.091 ( -1.989 0.000 -8.124) 8.364 3.230 ( 3.619 0.000 8.088) 8.861 3.239 ( -7.230 0.000 11.032) 13.190 3.495 ( 3.571 0.000 3.059) 4.702 3.556 ( -7.070 0.000 -3.965) 8.106 3.814 ( -11.681 0.000 -3.739) 12.265 3.950 ( -4.490 0.000 1.908) 4.879 4.003 ( -5.093 0.000 -0.018) 5.093 4.077 ( -9.385 0.000 3.955) 10.184 4.137 ( 8.963 0.000 1.328) 9.061 4.220 ( -5.990 0.000 -3.068) 6.730 4.241 ( -2.869 0.000 -4.739) 5.540 4.304 ( -13.357 0.000 5.340) 14.385 4.545 ( 4.325 0.000 2.261) 4.880 4.711 ( 10.112 0.000 -0.383) 10.119 4.794 ( 5.661 0.000 -5.551) 7.928 4.849 ( 2.588 0.000 -0.523) 2.640 4.947 ( 1.097 0.000 -0.003) 1.097 5.042 ( -3.352 0.000 8.435) 9.077 5.088 ( 11.328 0.000 1.466) 11.422 5.229 ( -0.475 0.000 -0.615) 0.777 5.343 ( -3.300 0.000 -2.298) 4.021 5.401 ( 1.130 0.000 2.123) 2.405 5.413 ( 0.221 0.000 -2.158) 2.169 5.498 ( 2.290 0.000 1.170) 2.572 5.537 ( -3.122 0.000 3.288) 4.534 5.629 ( -7.242 0.000 -1.066) 7.320 5.745 ( 7.210 0.000 -4.909) 8.722 5.761 ( 8.668 0.000 4.718) 9.869 5.885 ( 2.871 0.000 -5.311) 6.037 5.972 ( -4.333 0.000 -2.524) 5.014 5.977 ( 10.169 0.000 -7.302) 12.519 6.138 ( -0.519 0.000 -2.383) 2.439 6.145 ( -8.794 0.000 3.023) 9.299 6.212 ( 8.791 0.000 1.229) 8.876 6.301 ( 4.024 0.000 4.606) 6.116 6.344 ( -3.711 0.000 -2.355) 4.395 6.420 ( -0.051 0.000 -1.772) 1.773 6.480 ( -1.295 0.000 6.406) 6.536 6.521 ( 4.594 0.000 0.334) 4.606 6.618 ( 2.404 0.000 -0.642) 2.489 6.696 ( 1.511 0.000 2.534) 2.950 6.703 ( -2.204 0.000 0.228) 2.216 6.958 ( -1.638 0.000 3.204) 3.598 7.046 ( -2.540 0.000 -6.077) 6.586 7.215 ( -4.458 0.000 -4.592) 6.400 7.244 ( -1.790 0.000 -3.544) 3.970 7.359 ( -8.624 0.000 -7.829) 11.648 7.407 ( -0.664 0.000 0.167) 0.684 7.431 ( -2.433 0.000 -3.474) 4.241 7.653 ( 4.366 0.000 7.313) 8.517 7.805 ( 2.980 0.000 -0.668) 3.054 7.810 ( 3.532 0.000 10.032) 10.636 7.944 ( 12.604 0.000 4.827) 13.496 7.972 ( 0.401 0.000 4.019) 4.039 8.407 ( -1.535 0.000 -3.576) 3.892 8.407 ( -1.752 0.000 -0.987) 2.011 8.444 ( 1.288 0.000 -2.949) 3.218 8.519 ( -0.623 0.000 -2.409) 2.488 8.743 ( -6.164 0.000 2.047) 6.495 8.919 ( -6.822 0.000 -0.024) 6.822 9.161 ( -3.170 0.000 1.239) 3.403 9.270 ( 7.727 0.000 5.039) 9.225 9.500 ( -3.232 0.000 -0.509) 3.272 9.637 ( -4.631 0.000 2.539) 5.281 10.799 ( -1.471 0.000 1.577) 2.156 10.841 ( 8.553 0.000 0.573) 8.572 10.986 ( 5.795 0.000 3.559) 6.801 11.130 ( -7.839 0.000 -4.286) 8.934 11.391 ( -2.517 0.000 2.551) 3.584 11.500 ( -3.465 0.000 -1.507) 3.778 11.567 ( 7.120 0.000 4.574) 8.462 11.580 ( -3.051 0.000 -3.469) 4.620 13.737 ( 1.842 0.000 -1.299) 2.254 13.816 ( 1.523 0.000 -3.554) 3.867 13.949 ( 3.022 0.000 -1.086) 3.212 14.010 ( 0.345 0.000 1.623) 1.660 14.069 ( 1.443 0.000 -1.321) 1.956 14.441 ( -1.192 0.000 1.680) 2.060 14.454 ( 1.900 0.000 -0.142) 1.906 14.509 ( 2.959 0.000 2.178) 3.674 14.858 ( 0.206 0.000 1.562) 1.575 14.915 ( -6.837 0.000 -2.397) 7.245 15.511 ( 4.557 0.000 0.694) 4.609 15.547 ( 4.417 0.000 -33.925) 34.211 22.554 ( 2.833 0.000 0.257) 2.844 22.684 ( 3.684 0.000 -7.644) 8.485 23.384 ( -3.700 0.000 0.195) 3.705 23.416 ( -1.987 0.000 0.241) 2.001 23.707 ( -1.035 0.000 -0.342) 1.090 23.752 ( -1.975 0.000 0.048) 1.975 25.515 ( 6.738 0.000 -3.235) 7.474 25.801 ( 6.323 0.000 0.825) 6.377 25.901 ( -3.849 0.000 -3.260) 5.044 26.227 ( 8.156 0.000 4.130) 9.142 26.322 ( -3.954 0.000 -10.867) 11.564 26.581 ( 9.502 0.000 -10.176) 13.923 27.096 ( -0.108 0.000 -0.046) 0.117 27.108 ( -0.139 0.000 0.020) 0.140 27.476 ( 0.937 0.000 -4.329) 4.430 28.021 ( 5.944 0.000 -30.911) 31.477 28.190 ( -3.422 0.000 -0.335) 3.439 28.290 ( 0.226 0.000 1.772) 1.787 28.380 ( -6.180 0.000 17.489) 18.549 28.704 ( 2.990 0.000 0.906) 3.124 29.004 ( -2.658 0.000 5.860) 6.435 29.050 ( -5.407 0.000 2.061) 5.786 29.091 ( -15.588 0.000 59.673) 61.675 29.630 ( 0.666 0.000 -2.817) 2.895 31.977 ( -0.010 0.000 -0.152) 0.152 32.033 ( -1.771 0.000 0.009) 1.771 32.083 ( -0.499 0.000 0.139) 0.518 32.148 ( -0.338 0.000 1.587) 1.623 35.005 ( -0.161 0.000 -0.068) 0.175 35.059 ( 0.349 0.000 -0.037) 0.351 35.410 ( 1.555 0.000 -4.830) 5.074 35.500 ( -0.002 0.000 0.789) 0.789 39.223 ( -0.910 0.000 -0.335) 0.970 39.263 ( -0.561 0.000 0.125) 0.575 39.442 ( 2.034 0.000 0.314) 2.058 39.603 ( 3.803 0.000 -8.911) 9.689 46.814 ( 0.138 0.000 0.150) 0.204 46.874 ( 0.141 0.000 -1.479) 1.486 47.418 ( 0.364 0.000 0.141) 0.391 47.501 ( -0.389 0.000 -0.195) 0.435 63.991 ( -5.716 0.000 -1.324) 5.867 63.995 ( 0.483 0.000 -0.168) 0.511 66.412 ( 5.114 0.000 -7.429) 9.019 67.877 ( -23.579 0.000 80.784) 84.155 85.166 ( 0.406 0.000 -0.116) 0.422 85.241 ( 2.140 0.000 0.148) 2.145 85.503 ( 1.963 0.000 3.214) 3.766 85.826 ( 5.157 0.000 -23.084) 23.653 87.257 ( 2.495 0.000 1.106) 2.729 87.337 ( 1.338 0.000 1.417) 1.949 87.381 ( 6.032 0.000 0.229) 6.036 88.752 ( 27.350 0.000 -107.580) 111.002 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 18.403 0.000 8.985) 20.479 1.196 ( 25.692 0.000 8.882) 27.184 1.976 ( -8.244 0.000 -15.848) 17.864 2.056 ( -2.781 0.000 1.503) 3.161 2.289 ( 24.933 0.000 7.008) 25.899 2.576 ( 1.173 0.000 10.119) 10.186 2.766 ( 4.182 0.000 -22.201) 22.591 2.896 ( -13.098 0.000 1.944) 13.242 3.265 ( 4.105 0.000 2.349) 4.729 3.364 ( -17.680 0.000 -0.192) 17.681 3.374 ( 5.196 0.000 12.443) 13.484 3.406 ( -20.792 0.000 -6.371) 21.746 3.590 ( 5.596 0.000 -0.959) 5.677 3.810 ( -8.060 0.000 6.521) 10.367 3.866 ( -18.302 0.000 9.045) 20.415 3.925 ( -5.591 0.000 -1.877) 5.898 4.032 ( -7.654 0.000 -6.935) 10.328 4.158 ( -0.104 0.000 -5.301) 5.302 4.210 ( 4.927 0.000 -4.818) 6.891 4.308 ( -2.485 0.000 2.589) 3.588 4.532 ( 1.236 0.000 0.641) 1.393 4.804 ( -5.059 0.000 -2.303) 5.559 4.884 ( 5.672 0.000 1.637) 5.903 4.992 ( 6.056 0.000 -4.992) 7.848 5.014 ( 6.492 0.000 -5.074) 8.239 5.029 ( 0.266 0.000 6.276) 6.282 5.192 ( -2.886 0.000 0.814) 2.998 5.254 ( -4.400 0.000 -3.447) 5.590 5.343 ( 3.671 0.000 3.850) 5.320 5.355 ( 1.208 0.000 6.869) 6.974 5.418 ( 9.391 0.000 5.445) 10.855 5.568 ( 1.605 0.000 0.711) 1.756 5.570 ( 2.581 0.000 -0.763) 2.691 5.589 ( 3.612 0.000 -1.005) 3.750 5.740 ( -4.823 0.000 -8.752) 9.993 5.827 ( -2.701 0.000 -5.420) 6.055 5.842 ( -2.697 0.000 -2.379) 3.597 6.025 ( 5.883 0.000 5.040) 7.747 6.072 ( 0.132 0.000 2.906) 2.909 6.143 ( 3.658 0.000 -1.400) 3.917 6.143 ( 4.174 0.000 0.785) 4.247 6.259 ( -0.760 0.000 -3.893) 3.966 6.301 ( 0.375 0.000 3.485) 3.505 6.343 ( -0.420 0.000 0.956) 1.044 6.392 ( -2.132 0.000 -0.276) 2.150 6.552 ( -4.622 0.000 0.555) 4.655 6.557 ( -1.157 0.000 -5.231) 5.357 6.633 ( 7.806 0.000 8.339) 11.422 6.675 ( 2.630 0.000 -1.148) 2.869 6.779 ( 5.677 0.000 -0.166) 5.680 6.928 ( -3.852 0.000 6.298) 7.382 6.986 ( -1.690 0.000 -1.999) 2.618 7.057 ( -5.998 0.000 -8.137) 10.109 7.251 ( 2.863 0.000 -0.962) 3.020 7.265 ( -2.189 0.000 0.773) 2.322 7.374 ( -1.201 0.000 -3.572) 3.769 7.408 ( 0.470 0.000 -0.657) 0.808 7.721 ( 0.143 0.000 5.022) 5.024 7.835 ( 0.869 0.000 -4.033) 4.126 7.918 ( 2.730 0.000 5.983) 6.577 8.025 ( 4.708 0.000 1.130) 4.841 8.149 ( 6.689 0.000 0.371) 6.699 8.232 ( -9.601 0.000 -6.440) 11.561 8.348 ( -2.830 0.000 -3.296) 4.344 8.472 ( 2.219 0.000 -0.822) 2.366 8.600 ( -8.869 0.000 3.256) 9.448 8.661 ( 11.159 0.000 2.560) 11.449 8.802 ( -6.801 0.000 2.708) 7.320 9.094 ( -4.231 0.000 0.917) 4.329 9.414 ( 4.718 0.000 4.323) 6.399 9.425 ( -4.020 0.000 -1.703) 4.366 9.561 ( -3.066 0.000 -1.489) 3.408 10.817 ( 2.170 0.000 2.920) 3.638 10.930 ( -2.007 0.000 -0.247) 2.022 11.098 ( 7.192 0.000 -2.336) 7.562 11.105 ( 4.600 0.000 3.483) 5.770 11.364 ( -0.981 0.000 4.275) 4.386 11.379 ( -7.468 0.000 -4.071) 8.505 11.516 ( -2.062 0.000 -3.044) 3.677 11.655 ( 0.319 0.000 2.549) 2.569 13.756 ( 1.499 0.000 -3.570) 3.872 13.854 ( 3.538 0.000 -1.505) 3.845 14.001 ( 3.059 0.000 -1.676) 3.488 14.043 ( 2.323 0.000 3.201) 3.955 14.090 ( 0.952 0.000 0.168) 0.967 14.431 ( -0.956 0.000 2.990) 3.140 14.485 ( 1.130 0.000 -1.217) 1.660 14.605 ( 5.610 0.000 4.161) 6.985 14.767 ( -6.783 0.000 -2.982) 7.410 14.865 ( -0.102 0.000 -0.331) 0.347 15.434 ( -2.583 0.000 -16.587) 16.787 15.594 ( 3.564 0.000 0.655) 3.623 22.622 ( 4.040 0.000 0.434) 4.063 22.723 ( 3.073 0.000 -2.794) 4.154 23.300 ( -5.010 0.000 0.091) 5.011 23.370 ( -2.841 0.000 0.181) 2.847 23.685 ( -1.030 0.000 -0.239) 1.058 23.712 ( -2.069 0.000 -0.003) 2.069 25.657 ( 8.837 0.000 0.959) 8.889 25.737 ( -5.123 0.000 -3.967) 6.480 26.031 ( 9.280 0.000 2.914) 9.727 26.192 ( -5.964 0.000 -5.183) 7.901 26.422 ( 10.706 0.000 5.025) 11.826 26.697 ( 6.931 0.000 -5.297) 8.724 27.094 ( -0.124 0.000 -0.024) 0.126 27.106 ( -0.089 0.000 0.034) 0.095 27.438 ( -2.457 0.000 -7.568) 7.957 27.969 ( -0.020 0.000 -11.340) 11.340 28.143 ( -0.988 0.000 0.320) 1.039 28.302 ( -0.494 0.000 2.976) 3.017 28.350 ( -3.071 0.000 6.038) 6.774 28.743 ( -0.640 0.000 1.732) 1.846 28.958 ( -4.085 0.000 1.146) 4.243 28.981 ( -2.383 0.000 4.431) 5.031 29.099 ( -4.642 0.000 18.758) 19.323 29.628 ( 0.631 0.000 -2.881) 2.950 31.976 ( -0.003 0.000 -0.214) 0.214 31.994 ( -2.172 0.000 0.034) 2.173 32.073 ( -0.546 0.000 0.162) 0.569 32.150 ( -0.144 0.000 0.662) 0.677 35.001 ( -0.194 0.000 -0.081) 0.210 35.066 ( 0.411 0.000 -0.033) 0.412 35.415 ( 0.801 0.000 -1.812) 1.981 35.504 ( -0.040 0.000 0.934) 0.935 39.202 ( -0.977 0.000 -0.347) 1.036 39.254 ( -0.441 0.000 0.224) 0.495 39.485 ( 2.183 0.000 0.355) 2.212 39.632 ( 2.441 0.000 -3.191) 4.018 46.818 ( 0.170 0.000 0.208) 0.269 46.869 ( -0.146 0.000 -0.619) 0.636 47.427 ( 0.448 0.000 0.174) 0.480 47.492 ( -0.479 0.000 -0.275) 0.552 63.870 ( -5.613 0.000 -1.967) 5.948 64.005 ( 0.621 0.000 -0.210) 0.655 66.474 ( 5.393 0.000 -8.447) 10.022 67.835 ( -10.674 0.000 30.831) 32.627 85.174 ( 0.529 0.000 -0.137) 0.547 85.293 ( 3.245 0.000 -0.135) 3.248 85.552 ( 1.041 0.000 4.003) 4.136 85.803 ( 1.168 0.000 -8.962) 9.037 87.319 ( 3.129 0.000 1.499) 3.470 87.374 ( 2.060 0.000 0.208) 2.070 87.520 ( 7.422 0.000 2.412) 7.804 88.717 ( 9.362 0.000 -42.372) 43.394 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 20.489 0.000 9.498) 22.584 1.527 ( 4.995 0.000 0.735) 5.049 1.604 ( -23.525 0.000 -10.279) 25.672 1.893 ( 5.509 0.000 -3.701) 6.636 2.667 ( 3.828 0.000 5.282) 6.523 2.754 ( 5.602 0.000 -3.311) 6.508 2.769 ( -1.109 0.000 0.697) 1.310 2.956 ( -18.172 0.000 1.492) 18.233 3.022 ( 22.873 0.000 1.635) 22.931 3.117 ( -9.730 0.000 -4.747) 10.827 3.316 ( 0.352 0.000 -0.275) 0.446 3.502 ( 3.355 0.000 7.609) 8.316 3.596 ( -10.256 0.000 5.745) 11.755 3.676 ( 3.066 0.000 -0.846) 3.180 3.720 ( -5.712 0.000 0.221) 5.717 3.830 ( -2.597 0.000 -1.344) 2.924 3.949 ( 0.530 0.000 -0.939) 1.078 4.129 ( -0.270 0.000 -1.781) 1.801 4.188 ( -6.373 0.000 -1.358) 6.516 4.358 ( 10.235 0.000 -2.643) 10.571 4.605 ( 3.716 0.000 1.999) 4.219 4.640 ( -9.911 0.000 -0.462) 9.922 4.942 ( -3.682 0.000 -1.097) 3.842 4.961 ( 1.685 0.000 2.337) 2.882 4.978 ( -5.373 0.000 0.008) 5.373 5.027 ( -2.019 0.000 -2.937) 3.564 5.171 ( -2.353 0.000 -1.836) 2.985 5.287 ( 9.634 0.000 -6.023) 11.362 5.346 ( -1.082 0.000 4.623) 4.748 5.425 ( -3.087 0.000 -4.415) 5.387 5.539 ( -6.658 0.000 2.555) 7.132 5.602 ( 8.739 0.000 -9.271) 12.740 5.624 ( 2.437 0.000 12.757) 12.987 5.696 ( 10.845 0.000 3.497) 11.395 5.717 ( 3.234 0.000 3.280) 4.606 5.778 ( 0.591 0.000 -4.352) 4.392 5.864 ( 4.089 0.000 -0.138) 4.091 5.964 ( -10.934 0.000 -4.975) 12.013 6.078 ( 0.096 0.000 -2.378) 2.380 6.106 ( -3.327 0.000 1.928) 3.845 6.190 ( 1.030 0.000 2.469) 2.675 6.304 ( -2.002 0.000 2.279) 3.034 6.311 ( 2.487 0.000 -1.085) 2.713 6.345 ( -1.836 0.000 -0.233) 1.851 6.392 ( -6.872 0.000 -0.615) 6.900 6.461 ( 8.247 0.000 1.994) 8.485 6.495 ( -0.885 0.000 -3.701) 3.805 6.780 ( 5.967 0.000 -0.570) 5.994 6.795 ( -1.898 0.000 2.291) 2.975 6.853 ( 5.849 0.000 -0.447) 5.866 6.917 ( -0.117 0.000 7.652) 7.652 6.945 ( -1.566 0.000 -1.878) 2.445 6.959 ( -2.553 0.000 -0.722) 2.653 7.242 ( -0.907 0.000 0.871) 1.257 7.296 ( 1.314 0.000 -0.301) 1.348 7.346 ( -0.115 0.000 -2.041) 2.044 7.418 ( 0.592 0.000 -0.269) 0.650 7.747 ( 0.878 0.000 1.788) 1.992 7.765 ( -4.168 0.000 -6.096) 7.385 7.950 ( 0.019 0.000 0.730) 0.730 8.096 ( 0.616 0.000 1.017) 1.189 8.129 ( 1.128 0.000 0.290) 1.164 8.191 ( -1.209 0.000 -3.110) 3.337 8.322 ( 1.850 0.000 -2.570) 3.167 8.469 ( -4.771 0.000 2.416) 5.348 8.507 ( 1.567 0.000 0.395) 1.616 8.697 ( -5.115 0.000 2.115) 5.535 8.869 ( 6.388 0.000 3.540) 7.303 9.042 ( -0.872 0.000 -0.486) 0.998 9.346 ( -3.048 0.000 -1.580) 3.433 9.477 ( 0.996 0.000 1.805) 2.062 9.526 ( -0.328 0.000 -1.303) 1.343 10.887 ( -1.390 0.000 -0.231) 1.409 10.892 ( 3.363 0.000 2.531) 4.209 11.160 ( -1.032 0.000 1.379) 1.722 11.174 ( 1.124 0.000 -0.655) 1.301 11.245 ( -2.692 0.000 -3.003) 4.033 11.438 ( 5.657 0.000 2.615) 6.232 11.476 ( -0.901 0.000 -1.269) 1.556 11.616 ( -4.151 0.000 0.035) 4.151 13.763 ( 0.690 0.000 -1.818) 1.944 13.898 ( 1.284 0.000 0.027) 1.284 14.037 ( 1.312 0.000 -0.728) 1.501 14.099 ( 0.057 0.000 -0.060) 0.083 14.121 ( 3.363 0.000 2.550) 4.221 14.434 ( -0.134 0.000 1.439) 1.445 14.463 ( -2.006 0.000 -2.113) 2.913 14.675 ( -1.820 0.000 -0.964) 2.059 14.737 ( 5.435 0.000 4.904) 7.320 14.839 ( -2.285 0.000 -2.445) 3.347 15.323 ( -2.307 0.000 -6.217) 6.631 15.640 ( 1.196 0.000 0.276) 1.227 22.686 ( 2.164 0.000 0.255) 2.179 22.758 ( 1.389 0.000 -0.772) 1.589 23.224 ( -2.570 0.000 -0.041) 2.570 23.328 ( -1.421 0.000 0.047) 1.422 23.671 ( -0.395 0.000 -0.050) 0.398 23.684 ( -0.821 0.000 -0.010) 0.821 25.655 ( -1.994 0.000 -1.587) 2.549 25.823 ( 7.203 0.000 2.093) 7.501 26.056 ( -5.864 0.000 -3.134) 6.649 26.159 ( 3.210 0.000 1.094) 3.392 26.632 ( 7.355 0.000 3.933) 8.340 26.770 ( 2.690 0.000 -1.768) 3.219 27.092 ( -0.045 0.000 0.007) 0.045 27.106 ( 0.093 0.000 0.106) 0.141 27.330 ( -3.947 0.000 -5.174) 6.508 27.924 ( -0.636 0.000 -3.089) 3.154 28.153 ( 0.994 0.000 0.270) 1.030 28.298 ( -0.869 0.000 1.844) 2.039 28.336 ( -0.459 0.000 1.079) 1.172 28.700 ( -2.971 0.000 1.062) 3.155 28.933 ( 0.108 0.000 0.047) 0.118 28.965 ( -0.877 0.000 1.432) 1.679 29.104 ( -1.129 0.000 4.755) 4.887 29.626 ( 0.221 0.000 -1.116) 1.138 31.963 ( -0.937 0.000 -0.035) 0.937 31.975 ( -0.016 0.000 -0.045) 0.048 32.066 ( -0.224 0.000 0.070) 0.235 32.150 ( -0.058 0.000 0.203) 0.211 34.998 ( -0.084 0.000 -0.035) 0.091 35.072 ( 0.174 0.000 -0.010) 0.174 35.420 ( 0.274 0.000 -0.510) 0.579 35.506 ( -0.030 0.000 0.398) 0.399 39.188 ( -0.393 0.000 -0.136) 0.416 39.250 ( -0.154 0.000 0.114) 0.192 39.516 ( 0.896 0.000 0.152) 0.909 39.654 ( 0.893 0.000 -0.873) 1.249 46.821 ( 0.074 0.000 0.100) 0.124 46.864 ( -0.086 0.000 -0.188) 0.207 47.434 ( 0.197 0.000 0.077) 0.211 47.484 ( -0.210 0.000 -0.134) 0.249 63.790 ( -2.057 0.000 -0.933) 2.258 64.013 ( 0.283 0.000 -0.094) 0.298 66.515 ( 2.130 0.000 -3.523) 4.117 67.801 ( -3.432 0.000 8.780) 9.427 85.181 ( 0.244 0.000 -0.058) 0.251 85.342 ( 1.721 0.000 -0.231) 1.736 85.575 ( -0.054 0.000 1.838) 1.839 85.786 ( 0.159 0.000 -2.587) 2.592 87.370 ( 1.408 0.000 0.719) 1.581 87.404 ( 0.943 0.000 -0.019) 0.944 87.637 ( 3.326 0.000 1.374) 3.599 88.688 ( 2.385 0.000 -12.415) 12.642 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 0.000 33.023 0.000) 33.023 0.818 ( 0.000 38.403 0.000) 38.403 1.368 ( 0.000 63.078 0.000) 63.078 2.454 ( 0.000 9.694 0.000) 9.694 2.517 ( 0.000 3.514 0.000) 3.514 2.794 ( 0.000 13.078 0.000) 13.078 3.076 ( 0.000 -1.235 0.000) 1.235 3.220 ( 0.000 -2.979 0.000) 2.979 3.235 ( 0.000 3.759 0.000) 3.759 3.406 ( 0.000 1.627 0.000) 1.627 3.446 ( 0.000 3.506 0.000) 3.506 3.677 ( 0.000 -4.216 0.000) 4.216 3.749 ( 0.000 -2.812 0.000) 2.812 3.800 ( 0.000 -0.110 0.000) 0.110 4.045 ( 0.000 -6.268 0.000) 6.268 4.077 ( 0.000 -3.501 0.000) 3.501 4.196 ( 0.000 -9.315 0.000) 9.315 4.224 ( 0.000 -2.073 0.000) 2.073 4.305 ( 0.000 5.776 0.000) 5.776 4.384 ( 0.000 6.023 0.000) 6.023 4.547 ( 0.000 5.566 0.000) 5.566 4.641 ( 0.000 -8.787 0.000) 8.787 4.670 ( 0.000 6.836 0.000) 6.836 4.831 ( 0.000 -8.068 0.000) 8.068 4.855 ( 0.000 -3.521 0.000) 3.521 4.954 ( 0.000 -10.122 0.000) 10.122 5.144 ( 0.000 5.633 0.000) 5.633 5.189 ( 0.000 -6.315 0.000) 6.315 5.326 ( 0.000 -4.550 0.000) 4.550 5.418 ( 0.000 2.627 0.000) 2.627 5.453 ( 0.000 8.387 0.000) 8.387 5.461 ( 0.000 -3.674 0.000) 3.674 5.536 ( 0.000 4.466 0.000) 4.466 5.703 ( 0.000 1.168 0.000) 1.168 5.740 ( 0.000 2.034 0.000) 2.034 5.749 ( 0.000 3.035 0.000) 3.035 5.889 ( 0.000 4.806 0.000) 4.806 5.951 ( 0.000 5.649 0.000) 5.649 6.068 ( 0.000 1.390 0.000) 1.390 6.074 ( 0.000 -7.639 0.000) 7.639 6.181 ( 0.000 2.548 0.000) 2.548 6.246 ( 0.000 -2.257 0.000) 2.257 6.278 ( 0.000 1.870 0.000) 1.870 6.372 ( 0.000 -1.593 0.000) 1.593 6.497 ( 0.000 4.711 0.000) 4.711 6.505 ( 0.000 6.548 0.000) 6.548 6.524 ( 0.000 -3.635 0.000) 3.635 6.667 ( 0.000 4.059 0.000) 4.059 6.692 ( 0.000 4.398 0.000) 4.398 6.838 ( 0.000 4.635 0.000) 4.635 7.009 ( 0.000 -4.826 0.000) 4.826 7.082 ( 0.000 -0.989 0.000) 0.989 7.200 ( 0.000 -7.801 0.000) 7.801 7.233 ( 0.000 -2.547 0.000) 2.547 7.327 ( 0.000 -7.216 0.000) 7.216 7.443 ( 0.000 0.726 0.000) 0.726 7.546 ( 0.000 -3.643 0.000) 3.643 7.624 ( 0.000 5.471 0.000) 5.471 7.675 ( 0.000 1.434 0.000) 1.434 7.732 ( 0.000 3.242 0.000) 3.242 7.822 ( 0.000 5.722 0.000) 5.722 8.328 ( 0.000 -5.256 0.000) 5.256 8.338 ( 0.000 -6.747 0.000) 6.747 8.431 ( 0.000 -1.975 0.000) 1.975 8.468 ( 0.000 1.204 0.000) 1.204 8.506 ( 0.000 -0.328 0.000) 0.328 8.788 ( 0.000 -0.796 0.000) 0.796 8.796 ( 0.000 -1.679 0.000) 1.679 9.031 ( 0.000 0.573 0.000) 0.573 9.082 ( 0.000 -2.392 0.000) 2.392 9.234 ( 0.000 0.676 0.000) 0.676 9.533 ( 0.000 -2.311 0.000) 2.311 10.773 ( 0.000 2.199 0.000) 2.199 10.897 ( 0.000 0.126 0.000) 0.126 10.899 ( 0.000 6.369 0.000) 6.369 11.266 ( 0.000 -2.042 0.000) 2.042 11.379 ( 0.000 -4.572 0.000) 4.572 11.554 ( 0.000 1.906 0.000) 1.906 11.593 ( 0.000 -2.301 0.000) 2.301 12.272 ( 0.000 -7.795 0.000) 7.795 13.646 ( 0.000 1.690 0.000) 1.690 13.791 ( 0.000 -2.799 0.000) 2.799 13.827 ( 0.000 0.953 0.000) 0.953 13.969 ( 0.000 2.838 0.000) 2.838 14.009 ( 0.000 0.766 0.000) 0.766 14.100 ( 0.000 3.211 0.000) 3.211 14.441 ( 0.000 -0.343 0.000) 0.343 14.480 ( 0.000 0.318 0.000) 0.318 14.629 ( 0.000 1.379 0.000) 1.379 15.042 ( 0.000 -2.208 0.000) 2.208 15.167 ( 0.000 -2.082 0.000) 2.082 15.417 ( 0.000 -3.678 0.000) 3.678 22.544 ( 0.000 2.462 0.000) 2.462 22.558 ( 0.000 2.929 0.000) 2.929 23.344 ( 0.000 -5.439 0.000) 5.439 23.414 ( 0.000 -4.211 0.000) 4.211 23.815 ( 0.000 8.891 0.000) 8.891 24.310 ( 0.000 6.119 0.000) 6.119 25.384 ( 0.000 -4.728 0.000) 4.728 25.644 ( 0.000 -5.458 0.000) 5.458 25.735 ( 0.000 -0.078 0.000) 0.078 26.087 ( 0.000 -1.380 0.000) 1.380 26.228 ( 0.000 -6.929 0.000) 6.929 26.450 ( 0.000 -3.091 0.000) 3.091 26.923 ( 0.000 2.796 0.000) 2.796 27.131 ( 0.000 2.721 0.000) 2.721 27.392 ( 0.000 -6.431 0.000) 6.431 27.510 ( 0.000 -1.354 0.000) 1.354 28.161 ( 0.000 -0.911 0.000) 0.911 28.302 ( 0.000 1.694 0.000) 1.694 28.403 ( 0.000 8.985 0.000) 8.985 28.746 ( 0.000 3.744 0.000) 3.744 28.942 ( 0.000 -4.820 0.000) 4.820 29.144 ( 0.000 2.640 0.000) 2.640 29.613 ( 0.000 -1.611 0.000) 1.611 29.683 ( 0.000 -2.350 0.000) 2.350 31.974 ( 0.000 -0.252 0.000) 0.252 32.044 ( 0.000 -1.851 0.000) 1.851 32.105 ( 0.000 0.582 0.000) 0.582 32.118 ( 0.000 1.370 0.000) 1.370 35.037 ( 0.000 2.764 0.000) 2.764 35.303 ( 0.000 0.373 0.000) 0.373 35.384 ( 0.000 -0.374 0.000) 0.374 35.484 ( 0.000 -1.242 0.000) 1.242 39.232 ( 0.000 0.093 0.000) 0.093 39.293 ( 0.000 1.224 0.000) 1.224 39.407 ( 0.000 -1.114 0.000) 1.114 39.434 ( 0.000 -0.106 0.000) 0.106 46.828 ( 0.000 1.553 0.000) 1.553 46.889 ( 0.000 2.121 0.000) 2.121 47.386 ( 0.000 -2.654 0.000) 2.654 47.540 ( 0.000 -3.034 0.000) 3.034 64.152 ( 0.000 14.506 0.000) 14.506 65.968 ( 0.000 -3.289 0.000) 3.289 66.389 ( 0.000 0.753 0.000) 0.753 66.471 ( 0.000 0.367 0.000) 0.367 85.163 ( 0.000 0.127 0.000) 0.127 85.293 ( 0.000 -0.520 0.000) 0.520 85.370 ( 0.000 -1.770 0.000) 1.770 85.455 ( 0.000 -1.627 0.000) 1.627 87.245 ( 0.000 1.273 0.000) 1.273 87.256 ( 0.000 0.652 0.000) 0.652 87.317 ( 0.000 0.342 0.000) 0.342 88.114 ( 0.000 -4.220 0.000) 4.220 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.889 29.734 7.382) 31.024 0.827 ( 10.050 27.704 5.563) 29.991 1.864 ( 36.477 47.816 11.401) 61.212 2.340 ( -9.293 10.146 -9.758) 16.868 2.501 ( -0.922 5.194 -4.678) 7.050 2.743 ( -7.557 13.601 0.039) 15.560 2.877 ( -13.953 -3.901 -6.163) 15.745 3.137 ( -11.503 -2.383 -3.945) 12.392 3.205 ( 3.186 0.689 -3.325) 4.656 3.361 ( 2.881 7.974 5.300) 9.998 3.461 ( 0.872 -2.137 2.913) 3.716 3.590 ( -6.721 2.792 1.752) 7.486 3.824 ( -6.922 -0.648 -0.530) 6.973 3.937 ( -0.877 -4.400 1.484) 4.726 3.983 ( -9.125 -0.833 -1.782) 9.335 4.037 ( -6.226 -4.100 3.826) 8.379 4.099 ( -4.082 -2.675 0.129) 4.882 4.129 ( 1.828 -4.136 5.461) 7.089 4.174 ( -2.144 -0.693 -4.202) 4.768 4.379 ( -14.006 1.112 1.313) 14.111 4.560 ( 5.706 4.506 -2.214) 7.600 4.715 ( 4.723 -8.046 -0.444) 9.340 4.721 ( 7.658 -0.209 -2.882) 8.185 4.793 ( 3.685 -2.544 2.614) 5.185 4.902 ( 1.910 -1.890 0.867) 2.824 5.047 ( 4.854 -5.654 1.393) 7.581 5.071 ( -1.163 1.267 1.839) 2.518 5.275 ( 3.170 -3.487 -6.280) 7.851 5.334 ( 1.557 -3.357 1.322) 3.930 5.350 ( -1.172 7.013 -0.230) 7.114 5.469 ( 1.466 1.497 2.711) 3.427 5.551 ( 4.552 4.661 0.137) 6.517 5.601 ( -2.938 4.083 1.728) 5.319 5.681 ( 0.955 0.734 1.410) 1.854 5.768 ( -2.644 6.432 0.860) 7.008 5.771 ( 5.703 0.474 -3.143) 6.529 5.850 ( 1.682 -1.887 0.403) 2.560 5.960 ( -0.663 1.222 -2.523) 2.881 6.059 ( 1.250 -6.982 1.249) 7.202 6.087 ( 3.062 5.174 -3.036) 6.735 6.148 ( -2.648 0.983 -0.649) 2.898 6.222 ( -2.215 3.748 -0.780) 4.423 6.296 ( 1.317 -2.292 -1.455) 3.017 6.387 ( 0.832 5.228 -2.197) 5.731 6.429 ( -0.682 -0.222 -1.098) 1.311 6.509 ( -0.047 -0.558 0.863) 1.029 6.569 ( 1.258 2.198 2.070) 3.271 6.639 ( -0.658 2.829 2.579) 3.885 6.719 ( 1.217 1.854 -0.008) 2.218 6.808 ( -0.839 9.879 -0.507) 9.927 6.992 ( -1.812 -5.462 -3.972) 6.993 7.005 ( -3.317 2.539 2.904) 5.087 7.129 ( -2.958 -5.465 -6.774) 9.193 7.194 ( -1.968 -5.043 -1.129) 5.530 7.314 ( -1.404 -3.422 -1.835) 4.130 7.402 ( -5.035 2.767 -1.123) 5.854 7.483 ( -3.958 1.540 -3.728) 5.651 7.709 ( 3.853 3.985 3.450) 6.529 7.753 ( 7.239 -4.868 6.863) 11.099 7.805 ( 4.523 -0.150 3.478) 5.707 7.935 ( 6.549 4.364 -1.176) 7.957 8.190 ( -6.336 8.389 3.416) 11.054 8.295 ( -1.768 -6.523 -2.657) 7.262 8.388 ( 2.845 -3.914 0.448) 4.859 8.458 ( 1.975 -0.295 -1.814) 2.698 8.536 ( -3.108 1.419 -3.321) 4.765 8.732 ( -5.278 -0.942 2.119) 5.765 8.909 ( -7.753 -1.471 -0.943) 7.948 9.093 ( 0.230 -4.166 0.502) 4.202 9.232 ( 14.047 -15.420 12.151) 24.139 9.298 ( 5.586 -0.794 -1.880) 5.947 9.542 ( 1.067 -1.792 1.343) 2.480 10.844 ( -0.500 4.298 -1.178) 4.485 10.865 ( 8.218 2.101 0.189) 8.484 10.996 ( 5.180 1.407 3.319) 6.311 11.224 ( -5.600 0.164 -5.586) 7.911 11.331 ( -5.608 -3.693 1.150) 6.812 11.470 ( -5.956 1.944 -1.127) 6.366 11.531 ( -5.422 -2.061 -2.125) 6.177 11.890 ( -11.747 12.085 1.734) 16.942 13.677 ( 1.228 -4.891 -0.312) 5.052 13.787 ( -0.737 -2.016 -2.965) 3.661 13.910 ( 1.389 -3.132 -2.004) 3.969 14.046 ( 3.441 1.710 1.855) 4.267 14.101 ( 2.406 3.684 -2.781) 5.205 14.299 ( 14.507 -10.055 3.245) 17.947 14.440 ( -0.546 -0.012 1.890) 1.967 14.505 ( 2.346 -0.228 1.326) 2.705 14.733 ( 7.837 -4.346 0.810) 8.998 14.929 ( -7.560 -0.246 -3.843) 8.484 15.241 ( 6.048 -9.862 -8.172) 14.164 15.485 ( 4.685 -4.960 1.390) 6.963 22.576 ( 2.801 2.196 -0.142) 3.562 22.645 ( 6.994 0.244 -1.596) 7.178 23.318 ( -2.827 -5.109 0.322) 5.848 23.372 ( -3.539 -3.622 -0.301) 5.073 23.801 ( -1.295 9.261 0.150) 9.352 24.084 ( -11.495 17.371 -3.789) 21.172 25.440 ( 5.254 -6.326 -1.175) 8.307 25.767 ( 8.248 -8.127 2.911) 11.939 25.817 ( -0.225 -3.739 -0.545) 3.786 26.056 ( 6.248 -7.140 -4.934) 10.694 26.276 ( -1.848 -4.347 -3.729) 6.018 26.534 ( 9.381 -4.665 -1.045) 10.529 27.022 ( 4.404 -2.853 2.620) 5.865 27.137 ( 0.676 2.912 0.017) 2.989 27.402 ( 1.558 -5.900 -3.279) 6.927 27.657 ( 10.049 -11.570 3.280) 15.672 28.178 ( 0.560 -2.044 4.099) 4.614 28.307 ( -0.009 1.714 0.766) 1.878 28.380 ( -1.730 8.446 0.438) 8.632 28.738 ( -0.396 2.722 -0.815) 2.869 28.926 ( -1.677 -4.480 -0.967) 4.881 29.135 ( -0.721 4.524 -0.946) 4.678 29.471 ( -18.368 7.959 17.361) 26.498 29.623 ( -0.832 0.145 -0.959) 1.278 31.973 ( -0.032 -0.275 -0.136) 0.308 32.018 ( -1.931 -1.143 -0.179) 2.251 32.103 ( -0.754 1.217 0.016) 1.431 32.129 ( 0.548 -0.613 0.883) 1.206 35.034 ( -0.283 2.716 0.053) 2.732 35.197 ( -5.847 6.246 0.181) 8.558 35.399 ( 1.469 -0.802 -3.200) 3.611 35.487 ( 0.026 -1.239 0.713) 1.430 39.223 ( -0.813 0.171 -0.271) 0.874 39.280 ( -0.795 1.410 0.297) 1.645 39.429 ( 1.959 -1.197 0.115) 2.299 39.520 ( 6.253 -3.789 -2.846) 7.846 46.830 ( 0.142 1.551 0.129) 1.562 46.891 ( 0.233 1.910 -0.571) 2.007 47.389 ( 0.273 -2.702 0.205) 2.723 47.505 ( -2.112 -1.473 -0.661) 2.659 64.072 ( -7.177 14.387 0.297) 16.080 64.968 ( -35.333 49.574 -19.048) 63.788 66.283 ( 4.070 -11.071 -0.542) 11.808 67.369 ( 13.035 -28.327 44.293) 54.169 85.167 ( 0.435 0.165 -0.121) 0.480 85.260 ( 1.041 1.129 0.754) 1.711 85.483 ( 2.129 -1.913 2.571) 3.847 85.637 ( 15.114 -10.813 -13.561) 23.006 87.259 ( 2.562 0.583 -0.916) 2.782 87.342 ( 6.023 -0.983 0.464) 6.121 87.356 ( 2.415 -0.015 4.578) 5.176 88.317 ( 23.320 -19.684 -38.797) 49.361 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 12.452 23.670 7.123) 27.677 1.222 ( 24.035 7.472 10.906) 27.431 2.070 ( -10.705 9.652 -14.938) 20.758 2.184 ( -20.457 9.003 -5.398) 22.993 2.566 ( 2.434 11.313 6.457) 13.252 2.682 ( 23.075 15.075 0.343) 27.565 2.774 ( 1.791 4.010 -5.384) 6.948 2.930 ( -7.543 3.209 1.247) 8.291 3.270 ( -0.628 -1.129 -0.563) 1.409 3.377 ( -8.899 4.565 1.355) 10.093 3.403 ( -13.659 2.617 -0.582) 13.920 3.497 ( 0.616 2.546 5.554) 6.141 3.611 ( 2.870 3.880 0.350) 4.839 3.788 ( -14.996 -5.219 6.463) 17.143 3.879 ( -8.968 1.702 3.232) 9.684 3.902 ( -5.174 1.905 1.111) 5.625 3.950 ( -3.983 -4.429 -4.337) 7.368 4.157 ( -5.305 -0.218 -2.602) 5.913 4.212 ( 7.322 1.620 -2.669) 7.960 4.345 ( 5.608 -2.027 1.685) 6.197 4.526 ( -3.942 2.424 0.387) 4.643 4.703 ( -3.938 -6.577 -1.457) 7.803 4.882 ( 5.597 -1.514 -0.247) 5.804 4.908 ( 7.047 -3.549 -0.610) 7.914 4.995 ( 4.805 -1.505 -3.774) 6.292 5.078 ( 1.897 -0.648 1.890) 2.755 5.177 ( 3.121 -0.835 0.911) 3.357 5.261 ( 3.262 -0.077 -4.273) 5.376 5.338 ( -1.185 1.934 0.991) 2.475 5.384 ( -1.819 3.401 4.997) 6.313 5.490 ( -0.505 -2.307 2.013) 3.103 5.541 ( 2.654 6.818 2.423) 7.707 5.591 ( 2.061 1.537 -0.653) 2.653 5.683 ( -0.673 6.267 -0.406) 6.316 5.790 ( 0.794 -2.451 -2.870) 3.857 5.813 ( -1.617 3.090 -7.645) 8.403 5.837 ( -0.162 -0.402 -1.043) 1.129 6.015 ( 5.122 -1.139 6.429) 8.298 6.031 ( 0.639 -3.005 -0.214) 3.079 6.135 ( -0.800 1.937 0.432) 2.140 6.176 ( 0.836 2.623 -3.124) 4.164 6.216 ( 7.184 -0.471 -3.337) 7.936 6.280 ( -0.590 -1.103 0.915) 1.550 6.398 ( -1.063 3.513 0.856) 3.769 6.462 ( -2.931 1.230 1.537) 3.531 6.498 ( -5.861 -3.138 -2.708) 7.179 6.562 ( 10.371 0.310 2.018) 10.570 6.632 ( -3.165 1.469 -0.398) 3.512 6.748 ( 0.086 1.704 2.496) 3.024 6.827 ( 1.356 4.015 1.292) 4.431 6.892 ( -3.752 1.239 0.090) 3.953 7.013 ( -0.344 0.318 3.377) 3.410 7.050 ( -2.281 -0.119 -6.532) 6.920 7.173 ( -0.034 -5.622 -0.590) 5.653 7.264 ( -0.156 0.804 -1.662) 1.853 7.350 ( -0.812 -1.005 -0.982) 1.623 7.437 ( -0.706 1.001 0.019) 1.224 7.750 ( -0.626 2.476 1.359) 2.893 7.864 ( 2.495 1.206 -2.070) 3.459 7.881 ( 1.365 -3.338 4.010) 5.393 8.054 ( 7.425 2.587 0.069) 7.863 8.145 ( -1.438 -2.984 1.176) 3.515 8.218 ( -3.509 1.223 -5.059) 6.277 8.403 ( -2.165 0.433 -1.304) 2.565 8.448 ( -0.749 0.314 -3.765) 3.851 8.559 ( 0.535 -4.942 2.808) 5.709 8.641 ( -2.252 -1.234 3.065) 3.999 8.796 ( -3.018 -0.617 3.031) 4.321 9.067 ( -1.990 -1.581 0.870) 2.686 9.335 ( -0.265 -4.524 -3.529) 5.744 9.411 ( 3.262 -3.148 6.668) 8.063 9.581 ( 1.725 0.809 0.784) 2.060 10.844 ( 0.972 3.454 0.083) 3.589 11.000 ( 0.030 4.754 -0.364) 4.768 11.096 ( 3.423 -0.562 0.685) 3.535 11.110 ( 4.258 0.590 -0.805) 4.373 11.250 ( -3.911 -6.174 -0.762) 7.348 11.386 ( -4.998 -1.060 0.444) 5.128 11.437 ( -2.156 -3.308 -1.165) 4.117 11.810 ( -3.100 8.094 2.570) 9.040 13.700 ( 2.068 -5.274 -1.810) 5.947 13.795 ( 2.558 -4.290 -2.010) 5.384 13.898 ( -0.816 -5.263 -1.566) 5.552 14.110 ( 1.947 1.362 -0.142) 2.380 14.142 ( 2.965 5.179 1.811) 6.236 14.441 ( 0.619 -1.180 -0.226) 1.352 14.451 ( 2.612 -0.384 2.610) 3.713 14.582 ( 4.890 -2.582 3.591) 6.594 14.769 ( -5.417 -1.021 -4.601) 7.181 14.833 ( 1.361 -1.692 0.643) 2.265 15.260 ( 0.713 -10.873 -8.748) 13.973 15.549 ( 1.948 -5.430 0.444) 5.786 22.640 ( 3.820 1.792 -0.084) 4.220 22.744 ( 4.617 2.076 -1.325) 5.232 23.252 ( -4.152 -4.020 0.248) 5.784 23.307 ( -3.149 -3.919 -0.068) 5.028 23.778 ( -1.143 9.501 0.379) 9.577 23.932 ( -4.811 15.264 -1.571) 16.081 25.532 ( 3.669 -8.793 -0.219) 9.530 25.757 ( -0.949 -2.476 -0.381) 2.678 25.958 ( 8.315 -6.450 1.749) 10.668 26.187 ( -1.569 -5.924 -0.088) 6.129 26.192 ( 5.275 -8.071 -3.760) 10.349 26.698 ( 8.627 -3.612 -1.304) 9.443 27.068 ( 0.791 -1.671 0.571) 1.935 27.155 ( 1.313 3.587 0.022) 3.820 27.392 ( -0.925 -3.747 -5.868) 7.023 27.780 ( 3.139 -10.919 -0.886) 11.396 28.196 ( -0.174 -0.492 0.444) 0.685 28.310 ( -0.368 -0.223 2.137) 2.180 28.370 ( -0.224 7.166 2.341) 7.542 28.733 ( -0.212 0.315 0.164) 0.414 28.870 ( -3.814 -2.591 0.637) 4.655 29.115 ( 0.597 5.502 -5.503) 7.805 29.278 ( -12.080 10.374 18.317) 24.271 29.609 ( 0.256 -1.327 -2.652) 2.977 31.972 ( -0.020 -0.318 -0.202) 0.377 31.981 ( -1.882 -0.953 -0.001) 2.109 32.086 ( -0.879 0.992 0.111) 1.330 32.137 ( 0.085 -0.836 0.507) 0.982 35.029 ( -0.287 2.602 0.034) 2.618 35.134 ( -1.592 5.071 -0.167) 5.318 35.408 ( 0.787 -0.665 -1.526) 1.841 35.491 ( 0.002 -1.224 0.844) 1.487 39.205 ( -0.851 0.377 -0.319) 0.984 39.270 ( -0.425 1.449 0.319) 1.543 39.469 ( 2.055 -1.474 0.184) 2.535 39.594 ( 3.316 -2.974 -1.936) 4.857 46.834 ( 0.178 1.548 0.177) 1.568 46.890 ( -0.061 2.035 -0.446) 2.085 47.396 ( 0.373 -2.821 0.226) 2.855 47.475 ( -1.015 -1.855 -0.396) 2.152 63.950 ( -5.456 12.829 -0.126) 13.941 64.545 ( -10.453 38.346 -5.319) 40.099 66.362 ( 5.528 -10.058 -5.972) 12.938 67.579 ( -2.694 -20.281 23.770) 31.362 85.176 ( 0.604 0.266 -0.131) 0.673 85.304 ( 2.991 0.821 0.040) 3.102 85.534 ( 1.358 -1.778 3.510) 4.162 85.742 ( 4.072 -5.308 -7.561) 10.096 87.314 ( 3.237 0.186 -0.255) 3.252 87.411 ( 2.214 2.256 2.631) 4.112 87.477 ( 6.440 -3.574 2.723) 7.853 88.457 ( 11.085 -19.619 -28.813) 36.578 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 17.390 17.833 8.595) 26.349 1.630 ( 8.304 8.565 4.182) 12.642 1.726 ( -19.266 11.358 -9.478) 24.291 1.909 ( 1.373 3.599 -5.036) 6.340 2.578 ( -0.924 -3.413 8.513) 9.218 2.714 ( -5.064 -5.503 -15.083) 16.836 2.799 ( -2.313 3.958 1.795) 4.923 2.952 ( -3.654 -4.334 1.487) 5.861 3.122 ( -1.688 11.467 1.709) 11.716 3.305 ( -2.075 7.305 1.602) 7.761 3.400 ( 3.965 6.033 -1.639) 7.403 3.517 ( -5.206 -5.277 6.229) 9.683 3.592 ( -0.157 7.359 5.332) 9.089 3.704 ( 2.317 2.934 -3.484) 5.110 3.805 ( 0.046 4.121 3.699) 5.538 3.852 ( -2.289 5.693 -3.377) 7.004 3.891 ( 1.186 -2.180 -0.609) 2.555 4.157 ( 4.140 5.125 0.856) 6.644 4.287 ( -7.321 7.066 -0.091) 10.175 4.370 ( 9.176 1.241 -1.686) 9.412 4.522 ( -1.989 -7.394 4.052) 8.663 4.652 ( 1.246 2.591 -0.645) 2.947 4.916 ( 2.041 -2.576 -1.745) 3.721 4.954 ( -3.732 0.563 -4.708) 6.034 5.023 ( 0.256 -1.287 -3.724) 3.948 5.046 ( -4.754 1.507 2.961) 5.800 5.153 ( -4.197 -1.639 -0.284) 4.514 5.234 ( 0.953 1.229 -0.389) 1.603 5.339 ( 1.759 0.188 1.397) 2.254 5.441 ( -3.659 -3.008 -0.580) 4.772 5.529 ( 1.047 3.062 -1.924) 3.765 5.588 ( 7.893 -2.363 6.489) 10.488 5.641 ( -0.383 2.511 -4.829) 5.456 5.691 ( 6.290 -0.080 2.350) 6.715 5.788 ( 0.520 0.247 -1.405) 1.519 5.835 ( 3.329 4.670 -2.321) 6.187 5.867 ( 2.427 3.476 2.130) 4.744 5.946 ( -7.824 -0.874 -1.200) 7.964 6.090 ( -0.976 1.457 0.090) 1.756 6.103 ( -0.978 1.527 -0.142) 1.819 6.213 ( 5.074 -0.811 -2.233) 5.603 6.300 ( -0.303 1.549 2.855) 3.262 6.315 ( 3.440 -0.579 0.085) 3.489 6.356 ( -2.827 1.744 0.892) 3.440 6.422 ( -2.135 -1.010 -0.828) 2.502 6.440 ( 0.107 -1.019 -1.674) 1.962 6.502 ( -5.229 2.369 -1.717) 5.992 6.739 ( -0.366 -4.513 5.273) 6.950 6.778 ( 8.203 -0.885 -0.984) 8.309 6.824 ( -1.636 -1.028 -0.292) 1.954 6.880 ( -0.905 0.183 3.077) 3.212 6.997 ( -1.282 2.615 -1.979) 3.521 7.018 ( 0.348 2.836 0.378) 2.882 7.183 ( 0.773 -3.928 1.461) 4.262 7.283 ( 0.923 -0.893 -0.615) 1.424 7.335 ( 0.011 -0.974 -1.120) 1.484 7.446 ( 0.637 1.869 1.393) 2.417 7.735 ( -0.684 -0.211 -2.984) 3.069 7.792 ( -4.269 1.030 -0.750) 4.455 7.926 ( 1.007 -1.203 -1.195) 1.972 8.110 ( 0.216 1.072 0.364) 1.152 8.154 ( 0.158 -0.087 1.832) 1.841 8.215 ( 3.132 1.926 -2.631) 4.521 8.350 ( -0.790 1.862 -3.958) 4.445 8.427 ( -0.306 -5.104 2.293) 5.604 8.499 ( -3.806 1.774 0.866) 4.287 8.635 ( -1.311 -5.867 1.324) 6.155 8.834 ( 0.925 -4.871 3.962) 6.347 9.071 ( 2.619 3.198 -0.450) 4.158 9.283 ( -2.762 -3.518 -1.876) 4.850 9.469 ( 1.133 -0.770 1.853) 2.305 9.600 ( 0.273 4.317 -0.022) 4.326 10.863 ( 0.347 0.687 0.655) 1.010 11.000 ( 3.074 5.253 0.752) 6.133 11.109 ( -5.076 -2.526 -1.970) 6.002 11.155 ( 0.644 -1.626 0.048) 1.749 11.213 ( 0.506 -2.230 0.092) 2.289 11.355 ( 1.130 -4.475 -0.710) 4.670 11.427 ( 0.566 -3.470 1.426) 3.794 11.758 ( -2.699 8.083 0.531) 8.538 13.733 ( 1.816 -2.898 -1.092) 3.590 13.822 ( 0.203 -5.995 -0.159) 6.000 13.889 ( 0.659 -9.138 -0.647) 9.185 14.124 ( 0.192 1.849 -0.319) 1.886 14.211 ( 2.529 4.294 2.221) 5.456 14.435 ( -1.018 -1.799 -1.821) 2.755 14.468 ( -0.451 2.913 0.944) 3.095 14.673 ( 0.386 -0.774 -1.654) 1.867 14.714 ( 2.775 -2.932 4.512) 6.055 14.830 ( -1.279 -0.691 -1.866) 2.366 15.213 ( -1.106 -8.222 -4.010) 9.214 15.572 ( 0.517 -6.447 0.212) 6.471 22.697 ( 1.953 1.255 -0.035) 2.322 22.801 ( 1.895 3.630 -0.401) 4.115 23.189 ( -2.242 -3.108 0.035) 3.833 23.264 ( -1.351 -4.023 0.015) 4.243 23.765 ( -0.449 9.488 0.203) 9.501 23.871 ( -1.454 13.734 -0.452) 13.818 25.545 ( -0.549 -8.769 -0.878) 8.830 25.814 ( 4.324 -3.889 2.403) 6.293 26.007 ( -2.098 -4.389 -3.189) 5.817 26.150 ( 0.547 -1.036 1.420) 1.841 26.309 ( 4.087 -16.723 -0.102) 17.215 26.821 ( 4.258 -3.676 0.142) 5.627 27.077 ( 0.133 -0.974 0.157) 0.995 27.194 ( 2.797 5.283 1.415) 6.142 27.309 ( -4.200 -1.122 -4.918) 6.564 27.804 ( 0.549 -8.052 -0.583) 8.091 28.193 ( 0.026 0.207 0.038) 0.212 28.306 ( -0.515 -1.926 0.422) 2.038 28.384 ( 0.462 8.411 1.116) 8.497 28.710 ( -1.971 1.187 0.467) 2.348 28.832 ( -0.611 -2.777 0.959) 3.001 29.112 ( 2.233 2.254 -6.467) 7.204 29.189 ( -5.510 10.836 10.090) 15.799 29.605 ( 0.207 -1.736 -1.099) 2.065 31.955 ( -0.825 -0.674 -0.009) 1.065 31.971 ( -0.001 -0.347 -0.076) 0.355 32.075 ( -0.351 0.708 0.064) 0.793 32.139 ( -0.009 -0.831 0.163) 0.847 35.025 ( -0.113 2.528 0.004) 2.531 35.119 ( -0.295 3.949 -0.063) 3.960 35.413 ( 0.268 -0.632 -0.451) 0.822 35.494 ( -0.008 -1.202 0.360) 1.255 39.193 ( -0.344 0.529 -0.131) 0.645 39.267 ( -0.130 1.541 0.143) 1.553 39.498 ( 0.842 -1.693 0.083) 1.893 39.627 ( 1.077 -2.332 -0.613) 2.641 46.837 ( 0.079 1.547 0.084) 1.552 46.887 ( -0.059 2.134 -0.156) 2.141 47.403 ( 0.162 -2.911 0.091) 2.917 47.461 ( -0.315 -2.151 -0.146) 2.179 63.881 ( -1.886 11.977 -0.245) 12.127 64.423 ( -2.450 31.955 -1.315) 32.076 66.412 ( 2.156 -9.474 -2.898) 10.139 67.604 ( -1.799 -16.771 7.456) 18.442 85.184 ( 0.278 0.366 -0.053) 0.463 85.350 ( 1.621 0.656 -0.164) 1.756 85.560 ( 0.148 -1.456 1.655) 2.209 85.757 ( 0.775 -2.839 -2.354) 3.768 87.359 ( 1.414 0.010 -0.086) 1.417 87.452 ( 0.986 2.932 1.125) 3.292 87.578 ( 2.846 -4.947 1.320) 5.858 88.483 ( 2.936 -17.310 -9.798) 20.106 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 31.791 0.000) 31.791 1.600 ( 0.000 35.571 0.000) 35.571 2.532 ( 0.000 30.668 0.000) 30.668 2.698 ( 0.000 25.341 0.000) 25.341 2.717 ( 0.000 14.092 0.000) 14.092 2.976 ( 0.000 6.544 0.000) 6.544 3.065 ( 0.000 -0.321 0.000) 0.321 3.286 ( 0.000 6.348 0.000) 6.348 3.300 ( 0.000 4.466 0.000) 4.466 3.464 ( 0.000 -5.867 0.000) 5.867 3.475 ( 0.000 4.073 0.000) 4.073 3.594 ( 0.000 -2.583 0.000) 2.583 3.713 ( 0.000 3.938 0.000) 3.938 3.740 ( 0.000 -5.249 0.000) 5.249 3.909 ( 0.000 -5.630 0.000) 5.630 4.018 ( 0.000 -2.042 0.000) 2.042 4.070 ( 0.000 -1.227 0.000) 1.227 4.172 ( 0.000 -3.100 0.000) 3.100 4.364 ( 0.000 -9.391 0.000) 9.391 4.516 ( 0.000 4.270 0.000) 4.270 4.565 ( 0.000 9.133 0.000) 9.133 4.572 ( 0.000 -5.102 0.000) 5.102 4.674 ( 0.000 -7.426 0.000) 7.426 4.715 ( 0.000 -6.515 0.000) 6.515 4.720 ( 0.000 -7.061 0.000) 7.061 4.873 ( 0.000 9.181 0.000) 9.181 5.079 ( 0.000 -2.631 0.000) 2.631 5.202 ( 0.000 -3.990 0.000) 3.990 5.313 ( 0.000 8.586 0.000) 8.586 5.380 ( 0.000 -2.331 0.000) 2.331 5.448 ( 0.000 -1.757 0.000) 1.757 5.480 ( 0.000 -1.421 0.000) 1.421 5.637 ( 0.000 -6.683 0.000) 6.683 5.740 ( 0.000 7.608 0.000) 7.608 5.777 ( 0.000 -1.824 0.000) 1.824 5.844 ( 0.000 7.873 0.000) 7.873 5.904 ( 0.000 -2.215 0.000) 2.215 6.046 ( 0.000 2.216 0.000) 2.216 6.064 ( 0.000 6.720 0.000) 6.720 6.107 ( 0.000 3.280 0.000) 3.280 6.252 ( 0.000 3.653 0.000) 3.653 6.264 ( 0.000 5.036 0.000) 5.036 6.316 ( 0.000 -3.644 0.000) 3.644 6.334 ( 0.000 3.502 0.000) 3.502 6.474 ( 0.000 -1.027 0.000) 1.027 6.600 ( 0.000 1.434 0.000) 1.434 6.601 ( 0.000 1.544 0.000) 1.544 6.756 ( 0.000 -1.321 0.000) 1.321 6.768 ( 0.000 4.220 0.000) 4.220 6.853 ( 0.000 -7.401 0.000) 7.401 6.912 ( 0.000 4.062 0.000) 4.062 7.069 ( 0.000 -1.951 0.000) 1.951 7.102 ( 0.000 -1.914 0.000) 1.914 7.157 ( 0.000 -7.243 0.000) 7.243 7.181 ( 0.000 0.209 0.000) 0.209 7.446 ( 0.000 -5.060 0.000) 5.060 7.480 ( 0.000 2.300 0.000) 2.300 7.655 ( 0.000 -2.586 0.000) 2.586 7.746 ( 0.000 5.300 0.000) 5.300 7.829 ( 0.000 6.118 0.000) 6.118 7.939 ( 0.000 3.628 0.000) 3.628 8.184 ( 0.000 -6.593 0.000) 6.593 8.227 ( 0.000 -2.642 0.000) 2.642 8.356 ( 0.000 -5.256 0.000) 5.256 8.482 ( 0.000 -1.835 0.000) 1.835 8.494 ( 0.000 1.200 0.000) 1.200 8.742 ( 0.000 -3.507 0.000) 3.507 8.757 ( 0.000 -2.432 0.000) 2.432 9.042 ( 0.000 0.666 0.000) 0.666 9.056 ( 0.000 -0.760 0.000) 0.760 9.199 ( 0.000 -3.348 0.000) 3.348 9.449 ( 0.000 -5.855 0.000) 5.855 10.843 ( 0.000 4.340 0.000) 4.340 10.908 ( 0.000 1.018 0.000) 1.018 11.049 ( 0.000 6.525 0.000) 6.525 11.242 ( 0.000 0.356 0.000) 0.356 11.260 ( 0.000 -5.853 0.000) 5.853 11.534 ( 0.000 -2.776 0.000) 2.776 11.592 ( 0.000 1.063 0.000) 1.063 12.060 ( 0.000 -11.541 0.000) 11.541 13.682 ( 0.000 1.271 0.000) 1.271 13.737 ( 0.000 -2.182 0.000) 2.182 13.850 ( 0.000 1.262 0.000) 1.262 14.004 ( 0.000 0.249 0.000) 0.249 14.048 ( 0.000 3.060 0.000) 3.060 14.195 ( 0.000 5.769 0.000) 5.769 14.418 ( 0.000 -2.491 0.000) 2.491 14.522 ( 0.000 4.372 0.000) 4.372 14.658 ( 0.000 0.898 0.000) 0.898 14.981 ( 0.000 -3.030 0.000) 3.030 15.099 ( 0.000 -4.476 0.000) 4.476 15.312 ( 0.000 -6.029 0.000) 6.029 22.622 ( 0.000 4.886 0.000) 4.886 22.645 ( 0.000 5.305 0.000) 5.305 23.214 ( 0.000 -6.902 0.000) 6.902 23.283 ( 0.000 -7.561 0.000) 7.561 24.068 ( 0.000 14.599 0.000) 14.599 24.477 ( 0.000 9.324 0.000) 9.324 25.243 ( 0.000 -8.397 0.000) 8.397 25.482 ( 0.000 -10.250 0.000) 10.250 25.733 ( 0.000 0.144 0.000) 0.144 26.048 ( 0.000 -1.877 0.000) 1.877 26.069 ( 0.000 -7.715 0.000) 7.715 26.341 ( 0.000 -6.732 0.000) 6.732 27.001 ( 0.000 4.364 0.000) 4.364 27.184 ( 0.000 1.775 0.000) 1.775 27.262 ( 0.000 -5.021 0.000) 5.021 27.459 ( 0.000 -3.593 0.000) 3.593 28.179 ( 0.000 2.267 0.000) 2.267 28.340 ( 0.000 1.470 0.000) 1.470 28.567 ( 0.000 6.088 0.000) 6.088 28.847 ( 0.000 -3.956 0.000) 3.956 28.874 ( 0.000 8.272 0.000) 8.272 29.195 ( 0.000 2.382 0.000) 2.382 29.568 ( 0.000 -2.654 0.000) 2.654 29.613 ( 0.000 -4.236 0.000) 4.236 31.969 ( 0.000 -0.191 0.000) 0.191 32.009 ( 0.000 -1.464 0.000) 1.464 32.120 ( 0.000 0.820 0.000) 0.820 32.141 ( 0.000 0.796 0.000) 0.796 35.114 ( 0.000 4.293 0.000) 4.293 35.314 ( 0.000 0.624 0.000) 0.624 35.373 ( 0.000 -0.611 0.000) 0.611 35.446 ( 0.000 -2.432 0.000) 2.432 39.241 ( 0.000 0.756 0.000) 0.756 39.324 ( 0.000 1.627 0.000) 1.627 39.377 ( 0.000 -1.665 0.000) 1.665 39.427 ( 0.000 -0.523 0.000) 0.523 46.878 ( 0.000 3.153 0.000) 3.153 46.954 ( 0.000 4.069 0.000) 4.069 47.307 ( 0.000 -4.761 0.000) 4.761 47.451 ( 0.000 -5.317 0.000) 5.317 64.543 ( 0.000 21.179 0.000) 21.179 65.861 ( 0.000 -7.004 0.000) 7.004 66.409 ( 0.000 1.076 0.000) 1.076 66.477 ( 0.000 0.152 0.000) 0.152 85.168 ( 0.000 0.308 0.000) 0.308 85.282 ( 0.000 -0.398 0.000) 0.398 85.319 ( 0.000 -2.911 0.000) 2.911 85.408 ( 0.000 -2.624 0.000) 2.624 87.261 ( 0.000 -0.077 0.000) 0.077 87.273 ( 0.000 1.157 0.000) 1.157 87.359 ( 0.000 3.821 0.000) 3.821 87.990 ( 0.000 -7.348 0.000) 7.348 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.555 31.419 5.815) 31.957 1.504 ( -4.258 33.424 -0.014) 33.694 2.600 ( -5.323 11.709 -2.990) 13.205 2.673 ( 2.827 10.540 -7.714) 13.364 2.752 ( -3.768 23.950 -0.718) 24.255 2.903 ( -1.152 8.359 -2.668) 8.850 3.021 ( -10.517 12.940 -4.884) 17.375 3.063 ( -7.787 -2.283 4.912) 9.485 3.294 ( 6.338 11.858 -4.047) 14.042 3.385 ( 2.252 -3.172 1.340) 4.115 3.549 ( -2.802 6.427 4.326) 8.239 3.635 ( -6.549 0.499 3.835) 7.606 3.766 ( 0.958 -3.846 0.842) 4.052 3.832 ( -3.544 -4.748 4.763) 7.602 3.845 ( -1.183 -6.691 -3.218) 7.519 3.968 ( -7.818 -4.684 1.813) 9.293 4.052 ( 3.812 -2.812 2.894) 5.551 4.095 ( -4.398 1.916 7.589) 8.978 4.223 ( -4.823 1.117 -0.866) 5.026 4.394 ( -11.164 -0.309 -1.569) 11.278 4.507 ( 1.603 -4.647 -3.131) 5.828 4.660 ( 2.700 -0.965 -1.385) 3.184 4.725 ( 6.019 -0.123 1.295) 6.158 4.740 ( 4.387 -0.505 0.304) 4.426 4.876 ( 2.336 -1.038 1.879) 3.172 4.930 ( 8.850 -3.823 0.207) 9.643 5.079 ( 0.925 2.298 2.943) 3.847 5.226 ( 4.491 -2.632 -3.216) 6.119 5.363 ( 5.237 4.787 -3.892) 8.093 5.408 ( 3.091 1.945 -2.894) 4.659 5.490 ( 3.877 0.338 -1.264) 4.092 5.568 ( 5.835 -1.341 2.662) 6.552 5.695 ( 4.775 -4.419 -0.935) 6.573 5.730 ( -0.857 4.566 -1.772) 4.972 5.753 ( -2.268 1.802 0.071) 2.897 5.820 ( -5.006 -0.972 5.023) 7.157 5.902 ( -0.204 3.637 -1.304) 3.869 5.943 ( -3.036 1.428 0.112) 3.357 6.040 ( -0.938 5.217 -2.581) 5.896 6.161 ( 0.144 1.449 2.672) 3.043 6.192 ( -1.434 2.204 -1.388) 2.973 6.287 ( 0.601 2.525 1.441) 2.969 6.306 ( -0.328 2.086 1.926) 2.858 6.433 ( 3.021 2.527 -3.779) 5.458 6.445 ( 1.096 0.974 0.460) 1.537 6.549 ( -5.538 -2.458 -1.957) 6.367 6.577 ( -0.733 4.273 -3.950) 5.865 6.724 ( -2.497 2.558 0.159) 3.578 6.788 ( 1.683 3.782 -0.868) 4.229 6.818 ( -0.849 -7.661 -1.047) 7.779 6.919 ( 1.727 -2.576 1.191) 3.322 7.011 ( -0.594 -2.468 -2.570) 3.612 7.100 ( -3.504 2.860 -0.367) 4.538 7.142 ( -0.282 1.964 -1.610) 2.555 7.223 ( 3.257 -3.954 0.587) 5.156 7.461 ( -2.011 -1.539 -1.065) 2.747 7.501 ( -0.214 2.727 -1.843) 3.298 7.679 ( 1.388 -0.816 2.851) 3.274 7.771 ( 3.331 -2.796 4.633) 6.355 7.802 ( 1.929 4.191 1.153) 4.756 7.999 ( 0.524 -0.336 -1.562) 1.681 8.157 ( 0.890 -3.528 -0.226) 3.645 8.278 ( -6.043 0.138 -0.939) 6.117 8.306 ( 4.292 -2.462 0.523) 4.975 8.426 ( -0.574 -2.385 1.055) 2.670 8.538 ( -0.172 -1.440 -1.836) 2.340 8.698 ( -4.882 -3.140 -0.231) 5.810 8.825 ( -3.748 -6.713 1.877) 7.915 9.022 ( 7.302 -1.229 4.019) 8.425 9.057 ( 1.441 -1.831 1.837) 2.967 9.266 ( 3.792 -2.757 -1.206) 4.840 9.486 ( 3.439 -4.006 1.993) 5.643 10.913 ( 5.034 2.626 1.191) 5.801 10.924 ( 3.384 2.410 -0.671) 4.208 11.069 ( 1.992 4.662 0.279) 5.078 11.210 ( -2.685 0.601 -4.044) 4.892 11.232 ( -3.347 -5.069 1.277) 6.207 11.477 ( -4.931 -1.580 -0.767) 5.235 11.524 ( -7.280 1.014 -3.137) 7.992 11.963 ( -6.177 -3.115 2.976) 7.531 13.600 ( -3.575 -1.429 1.267) 4.053 13.748 ( -2.237 -1.727 -1.408) 3.157 13.859 ( 0.430 -1.319 -2.558) 2.910 14.053 ( 4.804 -0.998 -4.148) 6.425 14.169 ( 9.946 -2.098 3.500) 10.751 14.212 ( 1.094 5.319 2.647) 6.041 14.427 ( 0.152 -2.105 3.432) 4.029 14.536 ( 1.502 4.310 -0.632) 4.607 14.693 ( 3.226 -1.042 -0.706) 3.463 14.911 ( -4.924 -0.976 -3.422) 6.075 15.102 ( 0.150 -5.363 -1.226) 5.503 15.347 ( 2.193 -7.725 2.080) 8.295 22.647 ( 2.513 4.499 -0.665) 5.196 22.700 ( 5.279 4.372 0.404) 6.866 23.197 ( -1.695 -6.329 -0.201) 6.555 23.264 ( -1.915 -6.311 0.025) 6.595 24.059 ( -1.026 14.690 0.471) 14.733 24.389 ( -6.990 12.741 -2.126) 14.687 25.273 ( 2.636 -9.342 0.789) 9.739 25.507 ( 1.326 -13.741 1.808) 13.922 25.786 ( 4.303 -0.843 -0.172) 4.388 25.967 ( 1.275 -2.775 -7.064) 7.696 26.166 ( 1.496 -5.454 1.623) 5.884 26.400 ( 6.879 -7.558 0.665) 10.242 27.024 ( 1.811 2.194 0.060) 2.845 27.193 ( 0.866 1.740 -0.206) 1.955 27.280 ( 2.097 -4.783 -1.098) 5.337 27.507 ( 3.981 -5.469 2.051) 7.068 28.180 ( -0.311 1.725 1.815) 2.523 28.342 ( -0.371 1.269 0.801) 1.545 28.547 ( -1.173 6.569 -1.543) 6.849 28.796 ( -1.511 0.247 -7.060) 7.224 28.881 ( -2.194 3.015 6.257) 7.284 29.232 ( 3.148 4.787 -0.839) 5.790 29.468 ( -8.297 -4.031 2.923) 9.676 29.629 ( -1.035 -0.797 2.409) 2.740 31.967 ( -0.144 -0.270 -0.108) 0.325 31.992 ( -1.516 -1.127 -0.121) 1.893 32.121 ( -0.165 0.575 0.050) 0.600 32.132 ( -0.838 0.610 0.292) 1.077 35.110 ( -0.347 4.283 0.017) 4.297 35.279 ( -2.952 2.419 0.360) 3.834 35.381 ( 0.959 -0.876 -1.500) 1.984 35.448 ( 0.066 -2.451 0.525) 2.508 39.234 ( -0.569 0.928 -0.227) 1.112 39.315 ( -0.663 1.843 0.567) 2.039 39.395 ( 1.713 -1.904 -0.308) 2.579 39.467 ( 3.676 -1.774 -0.557) 4.120 46.880 ( 0.145 3.147 0.090) 3.152 46.954 ( 0.059 4.001 -0.217) 4.007 47.309 ( 0.163 -4.797 0.219) 4.805 47.435 ( -1.317 -4.775 -0.404) 4.970 64.472 ( -6.497 22.082 -0.461) 23.022 65.725 ( -17.437 23.016 -18.980) 34.555 66.030 ( -4.317 -10.219 8.976) 14.270 66.926 ( 14.217 -15.642 15.496) 26.209 85.174 ( 0.646 0.522 -0.088) 0.835 85.277 ( 1.201 0.585 1.024) 1.683 85.417 ( 4.427 -4.558 -1.050) 6.440 85.470 ( 8.984 -5.154 -2.819) 10.734 87.277 ( 2.464 0.693 -1.336) 2.888 87.317 ( 2.960 -0.637 3.797) 4.857 87.387 ( 2.388 2.680 1.610) 3.935 88.022 ( 6.041 -10.877 -11.940) 17.244 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 6.489 25.630 9.069) 27.951 1.565 ( 9.054 23.699 3.880) 25.664 2.352 ( -13.447 16.122 -12.198) 24.281 2.419 ( -19.371 12.799 -3.858) 23.535 2.701 ( 0.629 4.785 -8.157) 9.478 2.785 ( -14.519 -0.038 1.008) 14.554 2.910 ( -0.257 3.463 -1.051) 3.628 3.024 ( -3.735 0.245 -0.646) 3.798 3.322 ( -14.506 -0.157 0.498) 14.516 3.406 ( -0.619 -3.237 -0.797) 3.390 3.461 ( -7.985 -2.488 7.431) 11.187 3.525 ( -0.039 4.643 5.464) 7.170 3.682 ( -1.282 -3.502 -2.623) 4.559 3.730 ( -2.300 2.345 -0.694) 3.357 3.869 ( -0.695 1.046 1.064) 1.646 3.984 ( 2.722 11.225 4.561) 12.418 4.052 ( 1.095 10.092 4.131) 10.959 4.192 ( 4.939 -2.270 2.086) 5.822 4.223 ( 6.657 1.478 1.574) 6.998 4.310 ( 2.360 5.587 -0.335) 6.074 4.558 ( 4.536 -0.697 -0.210) 4.594 4.632 ( -7.134 0.130 4.647) 8.515 4.760 ( 2.624 -6.513 0.851) 7.073 4.910 ( 10.306 -0.171 -4.594) 11.285 4.921 ( 3.914 -4.720 -2.035) 6.461 5.038 ( 0.668 -0.247 5.136) 5.185 5.211 ( 6.647 3.883 -1.374) 7.819 5.279 ( 7.230 1.614 -3.334) 8.123 5.378 ( 0.976 4.461 -8.085) 9.286 5.448 ( -4.012 -1.367 1.574) 4.521 5.523 ( -7.278 6.789 2.014) 10.155 5.609 ( 6.149 1.561 0.847) 6.400 5.692 ( 0.607 1.359 -4.561) 4.798 5.704 ( -1.652 -3.008 0.432) 3.459 5.788 ( -0.029 2.050 3.594) 4.138 5.800 ( 3.511 -2.140 -3.135) 5.170 5.849 ( 1.123 3.677 0.140) 3.847 5.987 ( 1.379 0.486 -2.458) 2.860 6.062 ( 2.954 2.415 0.727) 3.884 6.140 ( 1.591 -0.409 4.384) 4.682 6.231 ( 0.564 1.594 -2.410) 2.944 6.277 ( 1.418 1.540 0.407) 2.133 6.322 ( 0.643 6.511 -1.595) 6.734 6.410 ( -4.866 -3.955 1.503) 6.448 6.431 ( -1.761 0.462 -3.671) 4.097 6.468 ( -1.080 1.968 1.823) 2.892 6.622 ( 7.183 3.709 -1.826) 8.288 6.679 ( -2.993 1.661 0.709) 3.496 6.721 ( -5.820 -1.538 -2.943) 6.701 6.835 ( -0.862 -2.645 2.285) 3.600 6.961 ( -2.216 -3.089 1.928) 4.263 7.007 ( -0.002 4.170 2.204) 4.716 7.059 ( 0.730 1.687 -4.896) 5.230 7.142 ( 2.711 2.176 -0.117) 3.478 7.270 ( -0.086 -0.064 -2.590) 2.592 7.348 ( -4.205 -0.670 -2.910) 5.157 7.468 ( -0.153 2.960 1.360) 3.261 7.789 ( -1.962 -0.000 3.077) 3.649 7.805 ( 5.093 -3.426 4.042) 7.349 7.849 ( 0.718 -2.589 -3.689) 4.563 8.025 ( 4.204 -4.147 1.180) 6.022 8.120 ( -1.168 -0.196 1.470) 1.888 8.224 ( -3.335 -1.786 -5.659) 6.807 8.347 ( -0.717 -2.311 1.773) 3.000 8.419 ( 0.456 -6.017 2.307) 6.461 8.484 ( -3.082 -0.005 -6.241) 6.960 8.586 ( -5.506 -4.276 1.724) 7.182 8.753 ( -4.717 -4.554 5.807) 8.758 9.061 ( 3.016 1.049 -1.998) 3.766 9.257 ( 5.055 -2.149 -1.904) 5.813 9.326 ( 6.245 -3.899 5.898) 9.433 9.574 ( 4.231 -1.490 2.857) 5.318 10.935 ( 0.544 3.808 -2.821) 4.770 11.071 ( -2.949 1.063 -2.425) 3.964 11.073 ( 6.229 -1.248 -1.279) 6.480 11.131 ( -1.251 1.097 0.544) 1.750 11.172 ( -1.058 -0.909 0.406) 1.453 11.374 ( -5.997 1.710 0.588) 6.264 11.387 ( -4.349 -1.862 -0.699) 4.782 11.915 ( -2.610 1.641 4.282) 5.276 13.580 ( 0.707 -4.422 1.309) 4.666 13.711 ( -0.404 -3.277 -1.986) 3.854 13.815 ( -2.946 -2.847 -3.825) 5.605 14.110 ( 2.542 -2.075 -1.096) 3.459 14.247 ( 1.455 4.758 2.520) 5.577 14.346 ( 6.924 -5.734 -1.054) 9.052 14.462 ( 1.288 -3.043 6.977) 7.720 14.562 ( 1.454 4.504 -1.267) 4.900 14.714 ( -0.999 -3.328 -3.497) 4.930 14.832 ( -1.220 1.182 -0.695) 1.835 15.089 ( -0.542 -5.701 -2.085) 6.094 15.382 ( 0.516 -9.657 1.317) 9.760 22.698 ( 3.146 3.687 -0.821) 4.916 22.808 ( 5.581 3.880 0.552) 6.819 23.153 ( -2.720 -5.111 -0.540) 5.815 23.226 ( -2.026 -4.012 0.252) 4.501 24.040 ( -1.239 14.651 0.584) 14.715 24.261 ( -5.155 15.400 -1.589) 16.317 25.320 ( 1.373 -11.299 0.228) 11.385 25.529 ( 0.434 -16.478 2.637) 16.693 25.867 ( 4.599 -1.825 -0.516) 4.975 26.019 ( 5.965 -4.193 -5.339) 9.037 26.156 ( -1.658 -2.273 0.375) 2.838 26.552 ( 7.955 -9.045 0.406) 12.053 27.050 ( 0.966 0.208 -0.155) 1.000 27.209 ( 1.169 0.798 -1.043) 1.758 27.312 ( 1.549 -3.041 -1.387) 3.684 27.589 ( 3.306 -7.646 1.485) 8.461 28.185 ( -0.106 0.576 1.483) 1.595 28.320 ( -2.239 0.503 0.196) 2.303 28.539 ( 1.142 7.486 0.123) 7.574 28.754 ( -0.238 1.105 -2.611) 2.845 28.853 ( -2.876 1.561 1.909) 3.788 29.228 ( -4.098 4.305 -3.019) 6.666 29.380 ( -2.136 0.555 6.998) 7.338 29.603 ( -2.020 0.724 0.337) 2.172 31.962 ( -1.540 -0.759 -0.032) 1.718 31.964 ( -0.128 -0.435 -0.178) 0.487 32.107 ( -1.101 0.827 0.044) 1.378 32.125 ( -0.239 -0.292 0.305) 0.485 35.103 ( -0.379 4.260 0.035) 4.277 35.233 ( -1.928 3.923 -0.082) 4.372 35.390 ( 0.638 -1.000 -0.968) 1.531 35.452 ( 0.069 -2.479 0.622) 2.556 39.222 ( -0.553 1.263 -0.269) 1.405 39.310 ( -0.237 2.204 0.527) 2.279 39.427 ( 1.691 -2.423 -0.207) 2.962 39.530 ( 3.089 -2.913 -0.592) 4.287 46.883 ( 0.185 3.134 0.120) 3.142 46.954 ( -0.019 3.967 -0.250) 3.975 47.314 ( 0.212 -4.905 0.255) 4.916 47.409 ( -1.105 -4.270 -0.364) 4.426 64.348 ( -5.840 23.156 -0.628) 23.890 65.342 ( -14.079 34.277 -5.796) 37.506 66.091 ( 4.717 -14.910 -2.288) 15.805 67.135 ( 2.545 -20.370 12.688) 24.133 85.188 ( 0.849 0.891 -0.092) 1.234 85.322 ( 2.869 0.933 0.322) 3.034 85.476 ( 2.151 -3.731 1.942) 4.724 85.609 ( 6.596 -6.697 -4.279) 10.328 87.329 ( 3.386 0.954 -1.161) 3.705 87.399 ( 3.162 -2.921 4.897) 6.520 87.450 ( 3.117 1.337 1.817) 3.848 88.067 ( 5.301 -15.993 -13.748) 21.746 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 12.052 20.952 6.756) 25.098 1.831 ( 11.874 11.903 5.925) 17.826 2.056 ( -11.011 18.459 -7.605) 22.800 2.122 ( -9.355 16.087 -4.453) 19.135 2.483 ( -14.757 -5.776 0.897) 15.873 2.671 ( -0.417 0.086 -5.817) 5.832 2.842 ( -8.401 -2.558 0.066) 8.782 2.926 ( 0.390 5.942 -2.244) 6.364 3.146 ( -4.221 -9.728 0.226) 10.607 3.358 ( -4.182 -7.177 5.634) 10.036 3.398 ( 0.967 0.675 0.129) 1.187 3.504 ( -4.138 8.920 1.127) 9.898 3.671 ( -0.105 -2.441 -0.059) 2.444 3.765 ( 4.369 -1.351 -0.656) 4.620 3.820 ( -1.783 -3.558 -2.742) 4.832 4.015 ( -0.224 18.105 1.121) 18.141 4.145 ( 4.303 12.686 4.446) 14.115 4.208 ( -1.284 -4.590 -1.459) 4.984 4.363 ( 0.871 -3.051 -0.884) 3.294 4.450 ( 7.042 8.945 4.328) 12.179 4.519 ( -3.379 5.101 1.246) 6.244 4.745 ( 10.173 4.578 3.719) 11.759 4.797 ( 4.407 0.053 4.466) 6.275 4.941 ( 0.962 -2.869 -4.318) 5.273 5.008 ( -1.205 2.804 -6.891) 7.537 5.088 ( 3.038 2.486 2.825) 4.836 5.203 ( -3.698 5.212 -0.215) 6.394 5.303 ( -0.995 -2.818 -4.248) 5.194 5.322 ( -3.142 1.661 -0.564) 3.599 5.415 ( -5.045 6.265 1.937) 8.274 5.521 ( 8.602 -1.382 2.615) 9.096 5.633 ( -1.917 -2.831 -5.635) 6.591 5.650 ( -3.185 4.839 0.472) 5.812 5.714 ( 1.956 1.471 0.331) 2.470 5.793 ( 3.977 0.631 -2.444) 4.710 5.892 ( -1.705 1.634 0.674) 2.456 5.943 ( 7.568 5.417 1.717) 9.465 6.012 ( 1.406 3.146 0.753) 3.527 6.076 ( 2.681 -1.860 -2.303) 3.994 6.167 ( -2.557 0.909 -0.552) 2.769 6.197 ( -0.437 0.354 2.980) 3.032 6.283 ( -3.655 1.008 -0.912) 3.900 6.332 ( -1.426 -3.079 -1.504) 3.712 6.354 ( 2.942 1.467 0.269) 3.299 6.440 ( -0.076 4.938 1.798) 5.256 6.477 ( 1.853 2.682 -2.355) 4.022 6.565 ( -6.497 3.166 -1.771) 7.441 6.630 ( -2.263 -3.846 3.302) 5.552 6.747 ( 3.570 -2.458 -0.604) 4.376 6.834 ( 1.023 0.137 2.494) 2.699 6.913 ( -2.254 2.876 -0.037) 3.655 7.017 ( -0.112 -0.362 1.459) 1.508 7.038 ( 0.281 0.061 -0.990) 1.031 7.137 ( -3.037 -0.893 -3.550) 4.756 7.267 ( 3.417 -0.841 -0.974) 3.652 7.320 ( -1.827 -0.214 0.413) 1.885 7.505 ( 1.783 4.446 2.468) 5.389 7.737 ( -2.372 0.701 -3.106) 3.971 7.799 ( -1.606 -1.063 2.437) 3.106 7.896 ( 0.748 -2.290 -2.941) 3.801 8.073 ( 0.554 -5.379 2.888) 6.130 8.102 ( -1.396 -5.343 -1.874) 5.832 8.228 ( 6.390 -0.378 -0.836) 6.455 8.344 ( -0.329 -1.629 1.368) 2.152 8.390 ( -3.170 0.642 -4.045) 5.179 8.441 ( -1.615 -9.959 3.420) 10.653 8.549 ( 2.264 0.126 -1.856) 2.930 8.665 ( -7.095 -9.723 4.696) 12.920 9.143 ( 5.705 2.560 -0.841) 6.309 9.239 ( -2.855 -0.767 -2.019) 3.579 9.459 ( 3.009 0.376 2.159) 3.722 9.653 ( 2.439 0.619 1.840) 3.117 10.907 ( -0.952 3.215 -1.554) 3.696 10.976 ( -2.765 -2.191 -3.121) 4.710 11.107 ( 0.049 -2.088 0.623) 2.180 11.163 ( 1.629 -2.246 0.881) 2.911 11.241 ( 4.171 3.381 -0.306) 5.378 11.285 ( -3.290 2.946 0.625) 4.460 11.339 ( -1.679 -3.760 1.065) 4.253 11.886 ( -1.681 3.658 1.459) 4.282 13.633 ( 3.608 -5.433 2.521) 6.992 13.708 ( 0.139 -5.197 -0.806) 5.261 13.730 ( -3.740 -4.639 -3.601) 6.962 14.135 ( 0.669 -2.108 -0.223) 2.222 14.280 ( 0.644 2.371 2.016) 3.178 14.398 ( 0.939 -1.101 -2.299) 2.716 14.540 ( 2.448 -9.385 4.413) 10.656 14.567 ( 0.120 5.437 -1.436) 5.625 14.670 ( -1.209 -1.555 -1.179) 2.295 14.828 ( 0.080 0.833 -0.465) 0.957 15.071 ( -0.426 -4.823 -0.987) 4.942 15.386 ( -0.197 -10.543 0.357) 10.551 22.741 ( 1.491 2.815 -0.394) 3.210 22.892 ( 2.779 4.663 0.425) 5.445 23.103 ( -1.890 -4.586 -0.463) 4.982 23.199 ( -0.850 -2.360 0.193) 2.516 24.024 ( -0.586 14.407 0.234) 14.420 24.194 ( -1.668 16.114 -0.485) 16.207 25.323 ( -0.348 -12.133 -0.381) 12.144 25.559 ( 0.973 -18.040 1.815) 18.157 25.924 ( 1.623 -2.604 -0.659) 3.138 26.093 ( 4.224 -4.360 -4.322) 7.452 26.131 ( -1.960 -1.388 2.750) 3.651 26.664 ( 3.500 -9.856 0.167) 10.460 27.060 ( 0.283 -0.340 -0.066) 0.447 27.224 ( 0.834 -1.601 -0.690) 1.933 27.316 ( -0.242 0.809 -0.710) 1.103 27.634 ( 1.067 -7.960 0.439) 8.043 28.187 ( -0.159 0.123 0.377) 0.427 28.281 ( -1.365 -0.416 -0.196) 1.441 28.577 ( 1.774 8.632 0.730) 8.843 28.753 ( 0.223 2.748 -0.110) 2.759 28.810 ( -1.679 0.494 0.213) 1.763 29.132 ( -3.223 -0.642 -1.147) 3.481 29.397 ( 0.019 7.931 2.926) 8.453 29.575 ( -0.708 -0.506 -0.570) 1.040 31.941 ( -0.646 -0.513 0.001) 0.825 31.962 ( -0.030 -0.550 -0.090) 0.558 32.091 ( -0.498 0.719 0.054) 0.877 32.123 ( -0.099 -0.636 0.097) 0.651 35.098 ( -0.151 4.241 0.017) 4.244 35.210 ( -0.575 4.229 -0.072) 4.268 35.395 ( 0.220 -1.068 -0.314) 1.134 35.455 ( 0.028 -2.486 0.266) 2.501 39.214 ( -0.219 1.515 -0.115) 1.535 39.310 ( -0.037 2.460 0.215) 2.469 39.449 ( 0.687 -2.813 -0.072) 2.896 39.567 ( 1.103 -3.193 -0.229) 3.386 46.886 ( 0.083 3.124 0.056) 3.125 46.952 ( -0.026 3.994 -0.104) 3.995 47.317 ( 0.087 -5.005 0.104) 5.007 47.394 ( -0.378 -4.150 -0.133) 4.170 64.271 ( -2.118 23.441 -0.308) 23.538 65.161 ( -4.260 35.125 -1.414) 35.410 66.142 ( 1.853 -15.620 -1.857) 15.839 67.192 ( -0.121 -20.779 4.801) 21.326 85.200 ( 0.386 1.154 -0.035) 1.218 85.367 ( 1.496 0.968 -0.029) 1.782 85.510 ( 0.619 -3.384 1.086) 3.608 85.668 ( 1.830 -5.357 -1.630) 5.891 87.372 ( 1.477 1.046 -0.564) 1.896 87.465 ( 1.483 -4.707 2.763) 5.656 87.500 ( 1.353 1.219 0.507) 1.890 88.081 ( 1.776 -18.514 -5.861) 19.501 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 29.860 0.000) 29.860 2.282 ( 0.000 28.146 0.000) 28.146 2.677 ( 0.000 1.641 0.000) 1.641 2.926 ( 0.000 2.518 0.000) 2.518 3.046 ( 0.000 -2.236 0.000) 2.236 3.133 ( 0.000 9.648 0.000) 9.648 3.179 ( 0.000 -14.714 0.000) 14.714 3.362 ( 0.000 9.458 0.000) 9.458 3.390 ( 0.000 3.970 0.000) 3.970 3.461 ( 0.000 8.693 0.000) 8.693 3.566 ( 0.000 5.810 0.000) 5.810 3.632 ( 0.000 7.898 0.000) 7.898 3.659 ( 0.000 -0.316 0.000) 0.316 3.792 ( 0.000 -2.892 0.000) 2.892 3.968 ( 0.000 11.925 0.000) 11.925 3.981 ( 0.000 -3.096 0.000) 3.096 4.068 ( 0.000 -2.663 0.000) 2.663 4.122 ( 0.000 0.018 0.000) 0.018 4.142 ( 0.000 -5.651 0.000) 5.651 4.281 ( 0.000 -15.055 0.000) 15.055 4.441 ( 0.000 -10.435 0.000) 10.435 4.542 ( 0.000 -7.415 0.000) 7.415 4.656 ( 0.000 5.916 0.000) 5.916 4.773 ( 0.000 8.985 0.000) 8.985 4.801 ( 0.000 8.830 0.000) 8.830 4.984 ( 0.000 -1.111 0.000) 1.111 5.087 ( 0.000 2.216 0.000) 2.216 5.192 ( 0.000 2.041 0.000) 2.041 5.350 ( 0.000 -4.877 0.000) 4.877 5.411 ( 0.000 5.256 0.000) 5.256 5.437 ( 0.000 -1.034 0.000) 1.034 5.490 ( 0.000 4.119 0.000) 4.119 5.560 ( 0.000 0.638 0.000) 0.638 5.721 ( 0.000 2.669 0.000) 2.669 5.855 ( 0.000 3.259 0.000) 3.259 5.877 ( 0.000 -2.927 0.000) 2.927 5.996 ( 0.000 5.484 0.000) 5.484 6.005 ( 0.000 -5.681 0.000) 5.681 6.178 ( 0.000 3.388 0.000) 3.388 6.183 ( 0.000 0.558 0.000) 0.558 6.246 ( 0.000 -0.032 0.000) 0.032 6.292 ( 0.000 -2.068 0.000) 2.068 6.346 ( 0.000 -3.429 0.000) 3.429 6.402 ( 0.000 2.403 0.000) 2.403 6.491 ( 0.000 -10.359 0.000) 10.359 6.519 ( 0.000 4.989 0.000) 4.989 6.571 ( 0.000 1.527 0.000) 1.527 6.678 ( 0.000 -1.812 0.000) 1.812 6.782 ( 0.000 0.459 0.000) 0.459 6.815 ( 0.000 0.357 0.000) 0.357 6.923 ( 0.000 -3.814 0.000) 3.814 6.996 ( 0.000 -4.977 0.000) 4.977 7.096 ( 0.000 4.921 0.000) 4.921 7.144 ( 0.000 0.777 0.000) 0.777 7.236 ( 0.000 3.288 0.000) 3.288 7.369 ( 0.000 -2.265 0.000) 2.265 7.516 ( 0.000 1.125 0.000) 1.125 7.587 ( 0.000 -3.115 0.000) 3.115 7.847 ( 0.000 4.158 0.000) 4.158 7.929 ( 0.000 2.167 0.000) 2.167 7.936 ( 0.000 -2.832 0.000) 2.832 8.149 ( 0.000 5.086 0.000) 5.086 8.208 ( 0.000 -7.080 0.000) 7.080 8.277 ( 0.000 4.851 0.000) 4.851 8.449 ( 0.000 -0.861 0.000) 0.861 8.487 ( 0.000 -3.404 0.000) 3.404 8.658 ( 0.000 -4.002 0.000) 4.002 8.680 ( 0.000 -4.205 0.000) 4.205 9.043 ( 0.000 0.513 0.000) 0.513 9.065 ( 0.000 1.486 0.000) 1.486 9.136 ( 0.000 -2.149 0.000) 2.149 9.292 ( 0.000 -8.599 0.000) 8.599 10.937 ( 0.000 3.045 0.000) 3.045 10.957 ( 0.000 5.210 0.000) 5.210 11.098 ( 0.000 -3.325 0.000) 3.325 11.158 ( 0.000 -2.309 0.000) 2.309 11.309 ( 0.000 5.026 0.000) 5.026 11.521 ( 0.000 2.710 0.000) 2.710 11.571 ( 0.000 -3.586 0.000) 3.586 11.821 ( 0.000 -10.498 0.000) 10.498 13.692 ( 0.000 -0.097 0.000) 0.097 13.702 ( 0.000 -1.139 0.000) 1.139 13.887 ( 0.000 2.272 0.000) 2.272 13.985 ( 0.000 -1.779 0.000) 1.779 14.131 ( 0.000 4.631 0.000) 4.631 14.336 ( 0.000 7.475 0.000) 7.475 14.340 ( 0.000 -4.588 0.000) 4.588 14.630 ( 0.000 -3.504 0.000) 3.504 14.655 ( 0.000 6.947 0.000) 6.947 14.957 ( 0.000 1.619 0.000) 1.619 14.980 ( 0.000 -6.751 0.000) 6.751 15.175 ( 0.000 -6.717 0.000) 6.717 22.745 ( 0.000 6.684 0.000) 6.684 22.777 ( 0.000 7.090 0.000) 7.090 23.059 ( 0.000 -7.666 0.000) 7.666 23.113 ( 0.000 -8.396 0.000) 8.396 24.405 ( 0.000 16.953 0.000) 16.953 24.690 ( 0.000 10.861 0.000) 10.861 25.037 ( 0.000 -11.280 0.000) 11.280 25.220 ( 0.000 -14.004 0.000) 14.004 25.751 ( 0.000 1.708 0.000) 1.708 25.919 ( 0.000 -6.297 0.000) 6.297 26.030 ( 0.000 0.550 0.000) 0.550 26.194 ( 0.000 -6.709 0.000) 6.709 27.097 ( 0.000 4.452 0.000) 4.452 27.196 ( 0.000 -0.637 0.000) 0.637 27.202 ( 0.000 -0.446 0.000) 0.446 27.363 ( 0.000 -5.329 0.000) 5.329 28.243 ( 0.000 3.486 0.000) 3.486 28.350 ( 0.000 -0.671 0.000) 0.671 28.664 ( 0.000 3.476 0.000) 3.476 28.778 ( 0.000 -2.720 0.000) 2.720 29.066 ( 0.000 9.165 0.000) 9.165 29.244 ( 0.000 1.858 0.000) 1.858 29.506 ( 0.000 -2.999 0.000) 2.999 29.514 ( 0.000 -4.680 0.000) 4.680 31.967 ( 0.000 0.036 0.000) 0.036 31.984 ( 0.000 -0.882 0.000) 0.882 32.137 ( 0.000 0.732 0.000) 0.732 32.151 ( 0.000 0.187 0.000) 0.187 35.209 ( 0.000 4.595 0.000) 4.595 35.328 ( 0.000 0.733 0.000) 0.733 35.359 ( 0.000 -0.729 0.000) 0.729 35.383 ( 0.000 -3.437 0.000) 3.437 39.264 ( 0.000 1.423 0.000) 1.423 39.339 ( 0.000 -1.912 0.000) 1.912 39.358 ( 0.000 1.586 0.000) 1.586 39.412 ( 0.000 -0.926 0.000) 0.926 46.960 ( 0.000 4.653 0.000) 4.653 47.057 ( 0.000 5.630 0.000) 5.630 47.193 ( 0.000 -5.822 0.000) 5.822 47.325 ( 0.000 -6.486 0.000) 6.486 64.989 ( 0.000 20.375 0.000) 20.375 65.668 ( 0.000 -11.474 0.000) 11.474 66.433 ( 0.000 1.224 0.000) 1.224 66.474 ( 0.000 -0.488 0.000) 0.488 85.179 ( 0.000 0.808 0.000) 0.808 85.256 ( 0.000 -2.867 0.000) 2.867 85.282 ( 0.000 0.520 0.000) 0.520 85.352 ( 0.000 -2.585 0.000) 2.585 87.264 ( 0.000 0.458 0.000) 0.458 87.286 ( 0.000 0.058 0.000) 0.058 87.472 ( 0.000 6.710 0.000) 6.710 87.817 ( 0.000 -8.775 0.000) 8.775 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.188 29.496 3.859) 29.748 2.162 ( -9.714 27.922 -1.219) 29.589 2.703 ( 2.395 0.977 -1.656) 3.071 2.909 ( -7.494 3.568 -2.062) 8.553 2.954 ( -9.620 -0.116 -1.486) 9.735 2.981 ( -10.851 -2.475 -0.744) 11.154 3.067 ( -3.332 7.341 -7.702) 11.150 3.239 ( -7.036 7.866 -9.495) 14.196 3.338 ( 0.230 1.045 -2.998) 3.184 3.510 ( -3.230 -2.990 5.475) 7.025 3.552 ( -10.370 -1.910 -2.057) 10.743 3.613 ( -11.040 -1.419 3.831) 11.771 3.728 ( -13.599 -3.819 -0.985) 14.160 3.784 ( 5.729 1.083 10.922) 12.381 3.841 ( 0.239 4.557 -0.063) 4.564 3.857 ( -1.133 -4.593 4.550) 6.563 4.050 ( 1.261 -3.944 5.210) 6.655 4.111 ( 0.656 -3.626 5.332) 6.482 4.271 ( 9.508 11.028 -0.233) 14.563 4.296 ( 1.337 -2.911 -0.116) 3.206 4.483 ( 7.824 -5.228 -1.843) 9.588 4.615 ( 2.550 -5.127 3.278) 6.598 4.724 ( 4.286 6.730 -1.816) 8.183 4.786 ( 1.788 7.255 -1.854) 7.699 4.894 ( 2.249 0.523 -0.193) 2.317 4.959 ( 4.127 8.887 1.704) 9.946 5.153 ( 3.576 -1.489 -1.500) 4.154 5.241 ( 10.854 5.882 0.789) 12.371 5.370 ( 1.474 -0.604 -1.469) 2.166 5.446 ( 6.512 -1.226 -3.154) 7.339 5.502 ( 3.306 2.053 -0.815) 3.976 5.548 ( 2.690 -3.980 3.711) 6.070 5.641 ( 7.175 0.344 -0.270) 7.188 5.756 ( 2.472 5.759 2.993) 6.945 5.805 ( -6.476 0.234 0.717) 6.520 5.835 ( -2.864 3.302 -1.395) 4.588 5.955 ( -3.180 -3.552 -0.052) 4.767 5.995 ( -0.074 3.816 0.762) 3.892 6.138 ( -3.745 2.827 -1.121) 4.824 6.183 ( -0.789 1.314 -0.256) 1.554 6.212 ( -1.909 -0.740 0.736) 2.176 6.309 ( 0.414 -0.378 -1.980) 2.058 6.322 ( 1.267 -2.163 0.318) 2.527 6.427 ( -5.328 -8.869 -1.406) 10.442 6.475 ( 4.354 1.976 -0.980) 4.881 6.561 ( 3.767 7.149 -1.770) 8.272 6.593 ( 2.699 -0.925 -1.166) 3.082 6.702 ( -3.283 -1.956 -2.221) 4.419 6.728 ( -0.059 -1.511 2.327) 2.775 6.839 ( 4.396 1.669 -2.751) 5.448 6.882 ( -3.858 -0.631 0.383) 3.928 6.956 ( 0.958 -2.565 -1.453) 3.100 7.116 ( 4.470 -1.326 -1.757) 4.983 7.165 ( -1.760 1.947 -1.050) 2.827 7.254 ( 0.363 3.027 -1.683) 3.483 7.370 ( 0.598 -4.363 0.224) 4.410 7.574 ( 3.296 3.419 2.013) 5.158 7.682 ( 0.976 -1.796 1.249) 2.395 7.702 ( -4.373 -1.626 -1.612) 4.937 7.827 ( -1.954 -4.086 0.429) 4.550 7.983 ( -3.563 3.670 1.347) 5.289 8.170 ( 1.391 1.191 2.597) 3.178 8.255 ( -1.401 -0.264 -2.225) 2.642 8.305 ( 3.995 2.253 -3.357) 5.684 8.395 ( -2.942 0.430 3.548) 4.629 8.488 ( 0.602 -3.457 -1.605) 3.859 8.585 ( -9.742 -6.186 -1.571) 11.646 8.652 ( -2.919 -9.445 4.892) 11.030 9.048 ( 2.398 2.322 -1.880) 3.831 9.085 ( 5.630 4.519 4.232) 8.369 9.195 ( 3.359 -3.783 -3.809) 6.332 9.370 ( 6.421 -6.869 4.417) 10.388 10.954 ( 1.465 1.918 0.194) 2.422 10.987 ( 2.996 3.409 -0.195) 4.543 11.094 ( -0.487 -3.161 -0.065) 3.199 11.149 ( -0.502 -2.034 -0.986) 2.315 11.276 ( -3.094 4.612 -2.372) 6.039 11.487 ( -5.249 -1.030 -3.394) 6.335 11.516 ( -2.811 2.609 1.004) 3.965 11.839 ( 0.773 -7.628 4.953) 9.128 13.610 ( -5.333 1.845 1.545) 5.851 13.708 ( -1.964 -2.128 0.286) 2.910 13.859 ( -2.340 1.265 -2.731) 3.812 13.995 ( 1.711 -4.071 -4.114) 6.035 14.175 ( 3.607 2.472 2.438) 5.006 14.316 ( -1.036 0.909 2.953) 3.258 14.383 ( 2.584 1.737 0.105) 3.115 14.637 ( 0.733 -4.762 -1.371) 5.009 14.669 ( 1.405 7.563 0.337) 7.700 14.921 ( -1.711 2.053 -3.753) 4.607 14.985 ( -0.627 -5.570 2.380) 6.089 15.179 ( -0.227 -7.920 1.341) 8.036 22.760 ( 1.649 6.057 -0.913) 6.344 22.813 ( 3.455 6.133 1.041) 7.116 23.057 ( -0.027 -6.824 -0.919) 6.885 23.120 ( 0.532 -7.157 0.571) 7.200 24.396 ( -1.077 16.915 0.438) 16.955 24.647 ( -3.784 12.110 -0.893) 12.719 25.049 ( 0.675 -12.142 1.015) 12.203 25.203 ( -1.706 -14.815 0.487) 14.920 25.787 ( 3.631 1.127 -1.004) 3.932 25.910 ( 2.174 -3.222 -5.298) 6.570 26.083 ( 2.499 -1.485 3.069) 4.227 26.239 ( 4.949 -7.260 0.540) 8.803 27.088 ( -0.372 3.445 -1.260) 3.687 27.189 ( 0.452 -1.676 -2.610) 3.135 27.234 ( 2.032 0.427 2.567) 3.301 27.390 ( 2.272 -5.662 1.408) 6.262 28.236 ( -0.957 3.278 0.998) 3.558 28.347 ( -0.894 -0.965 0.765) 1.522 28.652 ( -0.245 3.779 -1.868) 4.222 28.763 ( 0.027 -2.034 -4.286) 4.744 29.021 ( -4.865 8.026 3.975) 10.193 29.304 ( 3.042 -1.509 1.870) 3.877 29.397 ( -5.323 1.015 -0.767) 5.473 29.582 ( 2.196 -3.502 0.951) 4.241 31.963 ( -0.372 -0.092 -0.078) 0.391 31.973 ( -1.064 -0.665 -0.059) 1.256 32.133 ( -0.493 0.541 0.048) 0.733 32.142 ( -0.968 0.237 0.110) 1.002 35.206 ( -0.298 4.643 0.001) 4.653 35.317 ( -1.021 1.372 0.075) 1.712 35.362 ( 0.380 -0.994 -0.567) 1.206 35.385 ( 0.091 -3.403 0.313) 3.419 39.262 ( -0.159 1.674 -0.170) 1.690 39.344 ( 0.143 -0.934 1.348) 1.646 39.363 ( 0.901 0.653 -1.228) 1.657 39.433 ( 1.977 -1.598 -0.064) 2.543 46.962 ( 0.137 4.645 0.063) 4.647 47.056 ( -0.071 5.544 -0.191) 5.548 47.195 ( 0.100 -5.829 0.237) 5.835 47.317 ( -0.691 -6.217 -0.202) 6.259 64.945 ( -3.915 21.944 -1.223) 22.324 65.701 ( 3.719 -13.604 -2.787) 14.376 66.181 ( -14.561 13.890 -0.974) 20.147 66.651 ( 5.864 -11.248 6.051) 14.054 85.191 ( 1.269 1.251 -0.108) 1.786 85.286 ( 2.326 -0.409 1.890) 3.025 85.321 ( 4.265 -3.003 -2.864) 5.951 85.390 ( 4.080 -3.159 0.342) 5.171 87.285 ( 2.195 0.389 0.330) 2.253 87.310 ( 1.684 -0.362 2.493) 3.031 87.477 ( 0.681 5.833 -0.295) 5.880 87.812 ( 0.613 -9.419 -4.765) 10.574 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -5.526 22.038 6.635) 23.669 2.111 ( 3.090 25.766 0.296) 25.952 2.593 ( -15.810 -4.151 -1.708) 16.435 2.677 ( -15.239 7.548 -1.897) 17.111 2.705 ( -3.761 8.456 -10.210) 13.780 2.900 ( -17.188 10.224 -1.974) 20.096 2.930 ( -5.584 -4.662 -0.238) 7.278 3.043 ( -2.344 4.539 -4.021) 6.501 3.233 ( -14.430 -3.056 -5.962) 15.910 3.323 ( -6.617 -5.061 9.829) 12.885 3.420 ( -0.507 -6.208 -6.172) 8.769 3.470 ( -7.419 -8.369 -4.190) 11.943 3.575 ( 1.389 2.139 6.433) 6.920 3.746 ( -2.550 -1.061 -0.030) 2.762 3.915 ( -3.586 -0.165 6.179) 7.146 4.001 ( 5.464 -2.891 7.011) 9.347 4.120 ( 5.571 -2.840 4.368) 7.628 4.204 ( 3.221 -3.739 0.331) 4.946 4.301 ( 1.328 2.732 0.646) 3.106 4.445 ( 8.621 2.663 2.340) 9.321 4.586 ( -6.624 -2.893 2.406) 7.618 4.678 ( 6.167 -1.840 -0.276) 6.442 4.817 ( 6.784 0.301 -3.215) 7.513 4.847 ( 12.115 19.338 4.850) 23.329 4.963 ( 7.647 6.851 -1.570) 10.386 5.105 ( 5.244 7.088 2.329) 9.120 5.250 ( 3.298 -0.796 2.287) 4.092 5.344 ( 0.779 2.840 -2.620) 3.942 5.435 ( 2.454 4.434 1.057) 5.177 5.524 ( 2.732 1.161 -4.434) 5.336 5.547 ( 3.468 -3.021 -2.451) 5.212 5.633 ( 0.773 2.156 1.120) 2.550 5.667 ( -0.026 -1.189 0.475) 1.280 5.733 ( -0.293 1.069 -6.422) 6.517 5.759 ( 1.656 5.238 -2.841) 6.184 5.825 ( 0.779 2.221 4.366) 4.960 5.947 ( 2.226 1.999 1.164) 3.210 6.040 ( 4.060 0.251 2.591) 4.823 6.069 ( -1.175 0.582 -0.248) 1.335 6.156 ( -1.740 2.201 0.716) 2.896 6.211 ( -0.062 -2.482 1.143) 2.733 6.272 ( -3.159 -6.050 -1.268) 6.942 6.317 ( -3.269 1.395 0.348) 3.571 6.416 ( 6.044 3.104 -0.082) 6.795 6.521 ( 1.237 2.465 -0.191) 2.765 6.580 ( -1.194 7.570 -1.799) 7.872 6.616 ( -2.676 -5.593 -1.404) 6.357 6.655 ( 3.642 0.568 -3.380) 5.001 6.743 ( -0.406 0.956 -1.173) 1.567 6.784 ( -3.679 -2.154 -1.323) 4.464 6.947 ( 2.785 3.236 3.162) 5.313 7.043 ( 5.294 0.395 -0.084) 5.309 7.104 ( -0.408 0.583 -1.959) 2.085 7.204 ( -0.958 1.376 -3.650) 4.017 7.251 ( 6.602 -0.473 -0.529) 6.640 7.315 ( -7.729 -1.354 -3.720) 8.683 7.508 ( -1.756 -0.421 -1.335) 2.246 7.655 ( 0.408 -8.761 0.212) 8.773 7.759 ( 3.269 -0.908 5.009) 6.050 7.889 ( -4.614 4.239 0.696) 6.304 7.935 ( 5.638 -3.783 2.363) 7.189 8.098 ( -9.112 -1.427 -2.047) 9.448 8.138 ( -6.987 -4.289 -1.545) 8.342 8.344 ( -3.358 -1.840 0.984) 3.954 8.351 ( -0.677 1.721 -2.686) 3.261 8.424 ( -2.357 -5.083 -1.940) 5.929 8.505 ( -1.711 -2.764 2.662) 4.202 8.605 ( -4.749 -7.716 6.485) 11.143 9.095 ( 5.153 2.068 -4.730) 7.294 9.220 ( 2.520 -3.036 -4.903) 6.293 9.309 ( 11.791 3.497 7.361) 14.333 9.518 ( 6.507 -3.889 4.773) 8.958 10.978 ( 0.965 0.847 -1.522) 1.992 11.042 ( 1.533 -2.123 1.775) 3.163 11.071 ( -1.049 0.093 -3.200) 3.369 11.143 ( 0.274 -1.858 -1.951) 2.708 11.175 ( -5.129 3.098 -2.576) 6.523 11.338 ( -6.855 -3.101 -2.592) 7.958 11.510 ( 0.011 9.921 3.665) 10.577 11.880 ( 0.365 -4.787 5.400) 7.225 13.549 ( -2.032 1.247 2.594) 3.523 13.659 ( -2.671 -2.060 -0.296) 3.386 13.778 ( -4.126 -0.135 -4.857) 6.375 13.999 ( 0.438 -8.067 -2.134) 8.356 14.260 ( 4.232 -0.764 -0.161) 4.303 14.324 ( -0.301 -0.057 4.561) 4.571 14.427 ( 2.010 2.156 0.187) 2.954 14.631 ( -0.448 -4.675 -2.358) 5.255 14.701 ( 1.394 7.507 0.691) 7.667 14.881 ( -0.803 3.484 -1.911) 4.054 14.983 ( -0.446 -4.977 1.154) 5.129 15.173 ( -0.985 -9.631 1.031) 9.736 22.789 ( 1.890 4.798 -1.123) 5.277 22.895 ( 4.166 3.801 1.877) 5.944 23.047 ( -0.364 -4.449 -1.799) 4.813 23.135 ( 0.734 -4.543 0.750) 4.663 24.372 ( -1.582 16.628 0.368) 16.707 24.573 ( -3.335 14.272 -0.646) 14.671 25.055 ( -0.711 -14.125 0.211) 14.145 25.180 ( -0.851 -15.803 1.456) 15.892 25.852 ( 3.718 0.491 -1.380) 3.996 25.956 ( 4.762 -2.844 -4.443) 7.107 26.125 ( 1.073 0.410 1.814) 2.147 26.355 ( 6.241 -9.047 0.861) 11.025 27.077 ( -0.214 2.129 -1.086) 2.400 27.183 ( 0.066 -2.477 -2.142) 3.275 27.288 ( 2.334 0.580 1.668) 2.927 27.443 ( 2.306 -6.317 1.341) 6.857 28.221 ( -1.012 2.530 0.724) 2.819 28.316 ( -2.502 -1.025 0.050) 2.705 28.661 ( 2.222 4.238 -0.499) 4.811 28.760 ( 1.856 -0.598 -2.493) 3.164 28.944 ( -5.074 6.331 1.884) 8.329 29.216 ( -8.674 -4.881 0.710) 9.978 29.437 ( 5.147 5.175 0.351) 7.307 29.602 ( -0.455 -1.325 1.295) 1.908 31.951 ( -1.160 -0.287 -0.037) 1.196 31.955 ( -0.391 -0.363 -0.134) 0.550 32.119 ( -1.027 0.392 -0.009) 1.100 32.124 ( -0.828 0.072 0.212) 0.857 35.200 ( -0.323 4.751 0.024) 4.762 35.298 ( -0.877 2.420 -0.121) 2.577 35.365 ( 0.207 -1.508 -0.389) 1.571 35.389 ( 0.139 -3.306 0.317) 3.324 39.258 ( -0.116 2.157 -0.194) 2.169 39.356 ( 0.256 0.985 1.723) 2.001 39.376 ( 1.110 -1.272 -1.581) 2.313 39.472 ( 2.031 -2.661 -0.086) 3.349 46.965 ( 0.173 4.624 0.081) 4.628 47.053 ( -0.088 5.396 -0.227) 5.402 47.198 ( 0.107 -5.866 0.277) 5.873 47.302 ( -0.730 -5.756 -0.216) 5.806 64.861 ( -3.950 24.498 -1.498) 24.859 65.751 ( 2.811 -17.377 -3.011) 17.858 65.947 ( -9.837 23.538 -0.636) 25.519 66.738 ( 0.854 -17.639 6.203) 18.717 85.217 ( 1.449 2.041 -0.075) 2.504 85.347 ( 3.045 1.345 1.509) 3.655 85.381 ( 3.119 -4.763 -1.134) 5.805 85.484 ( 5.390 -4.914 -1.042) 7.368 87.341 ( 3.342 0.117 0.118) 3.346 87.360 ( 1.704 -0.941 3.980) 4.430 87.495 ( 1.377 3.516 -0.187) 3.780 87.791 ( 0.123 -10.647 -6.523) 12.488 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 4.604 12.203 4.837) 13.911 2.207 ( 7.184 18.734 2.501) 20.220 2.324 ( -11.915 -0.972 -0.481) 11.964 2.409 ( -11.966 9.587 -3.835) 15.805 2.535 ( -7.874 13.077 -5.034) 16.074 2.613 ( -7.585 -5.926 -0.203) 9.628 2.802 ( -5.233 0.595 -0.942) 5.350 3.019 ( -4.877 2.614 -2.532) 6.086 3.055 ( 1.044 6.084 -0.650) 6.207 3.284 ( -1.560 -1.621 3.439) 4.109 3.382 ( 0.616 -4.405 -2.561) 5.132 3.454 ( 0.891 -8.961 -1.292) 9.097 3.635 ( 2.197 -1.753 4.563) 5.360 3.705 ( -2.416 -3.473 -1.274) 4.418 3.854 ( -1.223 4.841 -0.105) 4.994 4.087 ( -0.203 -5.858 1.492) 6.048 4.186 ( 0.923 -4.510 4.110) 6.172 4.258 ( 2.123 -2.539 -0.503) 3.348 4.331 ( 1.110 4.966 0.121) 5.090 4.473 ( -3.745 -1.070 2.543) 4.651 4.641 ( 8.017 1.415 2.087) 8.404 4.725 ( 0.603 3.921 0.411) 3.988 4.906 ( 4.789 -0.147 -6.522) 8.092 5.062 ( -0.550 2.111 4.570) 5.064 5.062 ( 6.590 1.799 -1.473) 6.988 5.170 ( -1.617 4.605 1.451) 5.092 5.270 ( 1.642 8.575 4.277) 9.722 5.299 ( -2.371 5.969 1.414) 6.576 5.475 ( -1.805 4.894 -3.182) 6.111 5.494 ( 1.898 4.843 -3.325) 6.174 5.580 ( -0.468 4.348 0.049) 4.373 5.607 ( 3.247 1.309 -3.148) 4.708 5.703 ( 0.891 0.319 -0.974) 1.358 5.738 ( -0.203 1.623 0.825) 1.832 5.824 ( 4.921 1.881 0.399) 5.284 5.910 ( 7.281 -2.153 -2.061) 7.867 5.997 ( -0.197 1.321 -0.615) 1.470 6.066 ( -0.445 -1.103 2.632) 2.888 6.124 ( -0.561 -0.060 1.299) 1.416 6.144 ( -3.142 6.307 2.246) 7.396 6.172 ( 4.783 -0.413 0.311) 4.811 6.236 ( 0.265 -1.061 -0.842) 1.380 6.353 ( 2.856 -0.531 3.762) 4.753 6.438 ( -3.600 0.531 -3.257) 4.884 6.487 ( -3.658 7.771 -2.837) 9.045 6.564 ( 1.011 4.056 1.189) 4.346 6.607 ( -1.497 -4.229 1.017) 4.600 6.647 ( -0.097 -0.204 -1.895) 1.908 6.697 ( -0.127 4.528 -1.573) 4.795 6.790 ( 2.191 -1.331 -0.637) 2.642 6.987 ( -0.905 -2.775 0.562) 2.973 7.023 ( -0.731 1.797 2.175) 2.914 7.073 ( -5.332 7.709 -1.581) 9.505 7.154 ( -2.958 3.987 -3.864) 6.292 7.248 ( 4.906 -0.042 -1.521) 5.136 7.321 ( -0.422 0.170 -0.685) 0.823 7.579 ( 7.406 -2.725 3.405) 8.594 7.690 ( 0.434 -9.527 0.196) 9.539 7.778 ( -5.820 4.669 -0.986) 7.526 7.824 ( 0.278 -3.591 -1.461) 3.887 7.945 ( -0.469 -5.377 1.650) 5.644 7.984 ( -1.520 -3.579 2.300) 4.518 8.105 ( 1.984 -12.431 -2.755) 12.886 8.267 ( -5.863 -7.613 0.899) 9.651 8.301 ( -1.510 -1.116 -1.275) 2.269 8.395 ( -1.160 -1.417 1.694) 2.494 8.466 ( -2.088 -0.862 -0.370) 2.289 8.576 ( -0.788 -1.779 2.164) 2.910 9.172 ( 4.198 0.818 -1.797) 4.639 9.224 ( -0.361 -1.158 -2.082) 2.410 9.502 ( 4.882 3.606 2.607) 6.605 9.639 ( 3.949 -1.674 2.633) 5.033 10.968 ( -0.781 1.411 -0.852) 1.824 10.986 ( -3.173 3.233 -3.961) 6.018 11.071 ( -0.178 -0.888 2.106) 2.292 11.117 ( 0.376 -1.884 -0.967) 2.151 11.171 ( 2.345 -3.575 -1.066) 4.406 11.233 ( -4.100 -4.625 -0.180) 6.184 11.535 ( 0.531 12.448 2.142) 12.643 11.897 ( -0.357 -2.859 2.069) 3.547 13.562 ( 1.445 -1.245 2.796) 3.385 13.625 ( -0.885 -2.534 0.949) 2.847 13.676 ( -3.670 -0.006 -5.066) 6.256 13.994 ( -0.042 -10.592 -0.524) 10.605 14.303 ( 0.907 0.101 -0.918) 1.295 14.351 ( 0.781 -3.344 2.494) 4.244 14.455 ( 0.854 2.518 0.009) 2.659 14.609 ( -0.585 -3.092 -1.050) 3.318 14.720 ( 0.415 7.231 0.313) 7.250 14.871 ( 0.030 3.276 -0.471) 3.310 14.982 ( -0.095 -4.317 0.334) 4.331 15.160 ( -0.615 -10.368 0.284) 10.390 22.811 ( 0.822 3.785 -0.495) 3.905 22.971 ( 2.786 0.220 2.339) 3.645 23.023 ( -1.268 -0.493 -2.332) 2.700 23.149 ( 0.357 -2.608 0.352) 2.656 24.349 ( -0.810 16.242 0.084) 16.262 24.530 ( -1.110 15.661 -0.137) 15.701 25.035 ( -0.820 -15.205 -0.216) 15.229 25.183 ( 0.081 -16.699 0.927) 16.725 25.898 ( 1.549 0.190 -0.610) 1.676 26.012 ( 2.490 -3.913 -2.013) 5.056 26.143 ( 0.176 2.868 0.982) 3.036 26.445 ( 2.710 -10.319 0.309) 10.674 27.071 ( -0.049 1.374 -0.394) 1.430 27.173 ( -0.140 -2.852 -0.871) 2.985 27.325 ( 0.947 0.677 0.559) 1.291 27.477 ( 0.853 -6.642 0.492) 6.714 28.209 ( -0.446 1.796 0.126) 1.854 28.275 ( -1.409 -0.596 -0.234) 1.548 28.720 ( 3.297 4.890 0.916) 5.969 28.799 ( 2.006 0.989 -0.218) 2.247 28.863 ( -3.323 4.544 -0.194) 5.633 29.077 ( -5.309 -4.285 -0.434) 6.836 29.519 ( 3.266 4.053 0.378) 5.219 29.584 ( -1.771 0.709 0.551) 1.985 31.935 ( -0.478 -0.031 -0.008) 0.479 31.949 ( -0.140 -0.572 -0.071) 0.593 32.103 ( -0.531 0.440 0.039) 0.691 32.114 ( -0.305 -0.245 0.056) 0.395 35.196 ( -0.129 4.836 0.017) 4.838 35.287 ( -0.311 3.035 -0.079) 3.052 35.366 ( 0.051 -1.872 -0.121) 1.877 35.392 ( 0.065 -3.256 0.123) 3.259 39.256 ( -0.036 2.503 -0.082) 2.505 39.366 ( 0.121 2.677 0.866) 2.816 39.385 ( 0.487 -3.004 -0.804) 3.148 39.498 ( 0.804 -3.251 -0.038) 3.349 46.968 ( 0.077 4.604 0.037) 4.605 47.051 ( -0.037 5.317 -0.096) 5.318 47.201 ( 0.037 -5.909 0.115) 5.910 47.292 ( -0.283 -5.494 -0.084) 5.501 64.802 ( -1.568 25.903 -0.662) 25.959 65.772 ( 0.372 -19.216 0.476) 19.225 65.825 ( -2.804 27.340 -2.084) 27.562 66.762 ( -0.224 -20.089 2.657) 20.265 85.237 ( 0.622 2.550 -0.018) 2.625 85.397 ( 1.430 1.992 0.491) 2.501 85.418 ( 1.124 -5.124 -0.134) 5.247 85.551 ( 2.069 -5.301 -0.612) 5.723 87.391 ( 2.124 0.262 -1.725) 2.749 87.398 ( 0.139 -1.207 3.682) 3.877 87.520 ( 0.978 1.249 0.377) 1.631 87.761 ( -0.302 -11.647 -3.438) 12.147 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 0.000 -20.664 0.000) 20.664 2.611 ( 0.000 20.664 0.000) 20.664 2.690 ( 0.000 -12.016 0.000) 12.016 2.690 ( 0.000 12.016 0.000) 12.016 2.996 ( 0.000 -7.973 0.000) 7.973 2.996 ( 0.000 7.973 0.000) 7.973 3.329 ( 0.000 -6.723 0.000) 6.723 3.329 ( 0.000 6.723 0.000) 6.723 3.511 ( 0.000 -2.905 0.000) 2.905 3.511 ( 0.000 2.905 0.000) 2.905 3.725 ( 0.000 -4.236 0.000) 4.236 3.725 ( 0.000 4.236 0.000) 4.236 3.760 ( 0.000 -2.341 0.000) 2.341 3.760 ( 0.000 2.341 0.000) 2.341 3.878 ( 0.000 -10.435 0.000) 10.435 3.878 ( 0.000 10.435 0.000) 10.435 4.026 ( 0.000 -0.299 0.000) 0.299 4.026 ( 0.000 0.299 0.000) 0.299 4.205 ( 0.000 -7.716 0.000) 7.716 4.205 ( 0.000 7.716 0.000) 7.716 4.382 ( 0.000 -8.270 0.000) 8.270 4.382 ( 0.000 8.270 0.000) 8.270 4.839 ( 0.000 -7.557 0.000) 7.557 4.839 ( 0.000 7.557 0.000) 7.557 4.962 ( 0.000 -1.623 0.000) 1.623 4.962 ( 0.000 1.623 0.000) 1.623 5.114 ( 0.000 -4.845 0.000) 4.845 5.114 ( 0.000 4.845 0.000) 4.845 5.371 ( 0.000 -5.903 0.000) 5.903 5.371 ( 0.000 5.903 0.000) 5.903 5.553 ( 0.000 -0.573 0.000) 0.573 5.553 ( 0.000 0.573 0.000) 0.573 5.647 ( 0.000 -12.274 0.000) 12.274 5.647 ( 0.000 12.274 0.000) 12.274 5.866 ( 0.000 -5.456 0.000) 5.456 5.866 ( 0.000 5.456 0.000) 5.456 5.991 ( 0.000 -8.337 0.000) 8.337 5.991 ( 0.000 8.337 0.000) 8.337 6.171 ( 0.000 -3.762 0.000) 3.762 6.171 ( 0.000 3.762 0.000) 3.762 6.241 ( 0.000 -1.744 0.000) 1.744 6.241 ( 0.000 1.744 0.000) 1.744 6.316 ( 0.000 -3.212 0.000) 3.212 6.316 ( 0.000 3.212 0.000) 3.212 6.490 ( 0.000 -3.126 0.000) 3.126 6.490 ( 0.000 3.126 0.000) 3.126 6.723 ( 0.000 -0.209 0.000) 0.209 6.723 ( 0.000 0.209 0.000) 0.209 6.755 ( 0.000 -0.562 0.000) 0.562 6.755 ( 0.000 0.562 0.000) 0.562 6.914 ( 0.000 -2.365 0.000) 2.365 6.914 ( 0.000 2.365 0.000) 2.365 7.146 ( 0.000 -0.384 0.000) 0.384 7.146 ( 0.000 0.384 0.000) 0.384 7.307 ( 0.000 -3.623 0.000) 3.623 7.307 ( 0.000 3.623 0.000) 3.623 7.544 ( 0.000 -1.447 0.000) 1.447 7.544 ( 0.000 1.447 0.000) 1.447 7.883 ( 0.000 -1.303 0.000) 1.303 7.883 ( 0.000 1.303 0.000) 1.303 8.039 ( 0.000 -7.836 0.000) 7.836 8.039 ( 0.000 7.836 0.000) 7.836 8.320 ( 0.000 -8.515 0.000) 8.515 8.320 ( 0.000 8.515 0.000) 8.515 8.410 ( 0.000 -3.546 0.000) 3.546 8.410 ( 0.000 3.546 0.000) 3.546 8.619 ( 0.000 -1.145 0.000) 1.145 8.619 ( 0.000 1.145 0.000) 1.145 9.098 ( 0.000 -1.375 0.000) 1.375 9.098 ( 0.000 1.375 0.000) 1.375 9.121 ( 0.000 -6.495 0.000) 6.495 9.121 ( 0.000 6.495 0.000) 6.495 11.007 ( 0.000 -4.001 0.000) 4.001 11.007 ( 0.000 4.001 0.000) 4.001 11.079 ( 0.000 -5.460 0.000) 5.460 11.079 ( 0.000 5.460 0.000) 5.460 11.445 ( 0.000 -7.365 0.000) 7.365 11.445 ( 0.000 7.365 0.000) 7.365 11.636 ( 0.000 -7.262 0.000) 7.262 11.636 ( 0.000 7.262 0.000) 7.262 13.690 ( 0.000 -0.071 0.000) 0.071 13.690 ( 0.000 0.071 0.000) 0.071 13.939 ( 0.000 -2.466 0.000) 2.466 13.939 ( 0.000 2.466 0.000) 2.466 14.236 ( 0.000 -5.141 0.000) 5.141 14.236 ( 0.000 5.141 0.000) 5.141 14.498 ( 0.000 -7.604 0.000) 7.604 14.498 ( 0.000 7.604 0.000) 7.604 14.822 ( 0.000 -8.035 0.000) 8.035 14.822 ( 0.000 8.035 0.000) 8.035 15.041 ( 0.000 -5.720 0.000) 5.720 15.041 ( 0.000 5.720 0.000) 5.720 22.897 ( 0.000 -7.637 0.000) 7.637 22.897 ( 0.000 7.637 0.000) 7.637 22.938 ( 0.000 -8.120 0.000) 8.120 22.938 ( 0.000 8.120 0.000) 8.120 24.755 ( 0.000 -15.645 0.000) 15.645 24.755 ( 0.000 15.645 0.000) 15.645 24.934 ( 0.000 -12.542 0.000) 12.542 24.934 ( 0.000 12.542 0.000) 12.542 25.810 ( 0.000 -4.000 0.000) 4.000 25.810 ( 0.000 4.000 0.000) 4.000 26.078 ( 0.000 -4.029 0.000) 4.029 26.078 ( 0.000 4.029 0.000) 4.029 27.166 ( 0.000 -2.072 0.000) 2.072 27.166 ( 0.000 2.072 0.000) 2.072 27.251 ( 0.000 -4.726 0.000) 4.726 27.251 ( 0.000 4.726 0.000) 4.726 28.312 ( 0.000 -2.803 0.000) 2.803 28.312 ( 0.000 2.803 0.000) 2.803 28.725 ( 0.000 -2.522 0.000) 2.522 28.725 ( 0.000 2.522 0.000) 2.522 29.225 ( 0.000 -4.830 0.000) 4.830 29.225 ( 0.000 4.830 0.000) 4.830 29.460 ( 0.000 -0.472 0.000) 0.472 29.460 ( 0.000 0.472 0.000) 0.472 31.971 ( 0.000 -0.379 0.000) 0.379 31.971 ( 0.000 0.379 0.000) 0.379 32.149 ( 0.000 -0.366 0.000) 0.366 32.149 ( 0.000 0.366 0.000) 0.366 35.302 ( 0.000 -4.202 0.000) 4.202 35.302 ( 0.000 4.202 0.000) 4.202 35.344 ( 0.000 -0.756 0.000) 0.756 35.344 ( 0.000 0.756 0.000) 0.756 39.299 ( 0.000 -1.834 0.000) 1.834 39.299 ( 0.000 1.834 0.000) 1.834 39.389 ( 0.000 -1.306 0.000) 1.306 39.389 ( 0.000 1.306 0.000) 1.306 47.070 ( 0.000 -5.692 0.000) 5.692 47.070 ( 0.000 5.692 0.000) 5.692 47.186 ( 0.000 -6.529 0.000) 6.529 47.186 ( 0.000 6.529 0.000) 6.529 65.377 ( 0.000 -16.251 0.000) 16.251 65.377 ( 0.000 16.251 0.000) 16.251 66.458 ( 0.000 -1.043 0.000) 1.043 66.458 ( 0.000 1.043 0.000) 1.043 85.206 ( 0.000 -1.847 0.000) 1.847 85.206 ( 0.000 1.847 0.000) 1.847 85.305 ( 0.000 -1.720 0.000) 1.720 85.305 ( 0.000 1.720 0.000) 1.720 87.278 ( 0.000 -0.704 0.000) 0.704 87.278 ( 0.000 0.704 0.000) 0.704 87.633 ( 0.000 -8.466 0.000) 8.466 87.633 ( 0.000 8.466 0.000) 8.466 ======================= Grid point 30 (18/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -6.261 -15.259 2.143) 16.632 2.593 ( -6.261 15.259 2.143) 16.632 2.642 ( -3.239 -20.768 -2.265) 21.141 2.642 ( -3.239 20.768 -2.265) 21.141 2.924 ( -3.950 -1.679 -0.977) 4.402 2.924 ( -3.950 1.679 -0.977) 4.402 3.279 ( -3.811 -5.163 -4.316) 7.734 3.279 ( -3.811 5.163 -4.316) 7.734 3.407 ( -7.281 -3.267 -7.985) 11.289 3.407 ( -7.281 3.267 -7.985) 11.289 3.586 ( -21.970 -1.057 2.586) 22.147 3.586 ( -21.970 1.057 2.586) 22.147 3.727 ( -1.827 -6.177 4.212) 7.696 3.727 ( -1.827 6.177 4.212) 7.696 3.862 ( -0.665 -8.592 3.935) 9.474 3.862 ( -0.665 8.592 3.935) 9.474 3.976 ( 4.011 -7.204 3.259) 8.866 3.976 ( 4.011 7.204 3.259) 8.866 4.324 ( 7.775 -5.034 1.815) 9.438 4.324 ( 7.775 5.034 1.815) 9.438 4.491 ( 6.174 -6.867 0.767) 9.266 4.491 ( 6.174 6.867 0.767) 9.266 4.851 ( 1.294 -4.174 -0.198) 4.375 4.851 ( 1.294 4.174 -0.198) 4.375 5.038 ( 6.769 -7.635 -1.396) 10.299 5.038 ( 6.769 7.635 -1.396) 10.299 5.216 ( 9.779 -10.807 0.218) 14.576 5.216 ( 9.779 10.807 0.218) 14.576 5.396 ( 4.005 -7.635 0.908) 8.670 5.396 ( 4.005 7.635 0.908) 8.670 5.555 ( 1.132 -5.342 -2.406) 5.967 5.555 ( 1.132 5.342 -2.406) 5.967 5.704 ( 1.790 -7.888 3.753) 8.917 5.704 ( 1.790 7.888 3.753) 8.917 5.818 ( -2.546 -3.809 2.210) 5.087 5.818 ( -2.546 3.809 2.210) 5.087 6.006 ( 0.181 -6.363 1.162) 6.470 6.006 ( 0.181 6.363 1.162) 6.470 6.159 ( -2.065 -3.650 1.135) 4.344 6.159 ( -2.065 3.650 1.135) 4.344 6.235 ( -1.820 -3.883 -3.385) 5.463 6.235 ( -1.820 3.883 -3.385) 5.463 6.302 ( 2.517 -1.135 -1.131) 2.984 6.302 ( 2.517 1.135 -1.131) 2.984 6.533 ( 3.498 -3.132 -0.739) 4.753 6.533 ( 3.498 3.132 -0.739) 4.753 6.679 ( -2.143 -2.243 -5.117) 5.984 6.679 ( -2.143 2.243 -5.117) 5.984 6.797 ( 0.174 -6.481 4.705) 8.011 6.797 ( 0.174 6.481 4.705) 8.011 6.893 ( 2.642 -3.141 -2.504) 4.808 6.893 ( 2.642 3.141 -2.504) 4.808 7.142 ( 0.141 -3.244 -3.005) 4.424 7.142 ( 0.141 3.244 -3.005) 4.424 7.310 ( 0.061 -2.992 -1.462) 3.331 7.310 ( 0.061 2.992 -1.462) 3.331 7.628 ( 4.939 -2.150 2.982) 6.157 7.628 ( 4.939 2.150 2.982) 6.157 7.728 ( -8.395 -3.869 -2.339) 9.535 7.728 ( -8.395 3.869 -2.339) 9.535 8.098 ( -0.371 -5.832 1.013) 5.931 8.098 ( -0.371 5.832 1.013) 5.931 8.344 ( 2.456 -4.848 0.194) 5.438 8.344 ( 2.456 4.848 0.194) 5.438 8.409 ( -1.756 -3.623 -2.535) 4.757 8.409 ( -1.756 3.623 -2.535) 4.757 8.507 ( -8.677 -1.177 3.990) 9.622 8.507 ( -8.677 1.177 3.990) 9.622 9.113 ( 2.711 -3.675 -5.581) 7.212 9.113 ( 2.711 3.675 -5.581) 7.212 9.216 ( 7.600 -7.197 6.672) 12.413 9.216 ( 7.600 7.197 6.672) 12.413 11.005 ( -0.222 -2.714 -0.228) 2.733 11.005 ( -0.222 2.714 -0.228) 2.733 11.084 ( 0.744 -3.661 -0.787) 3.818 11.084 ( 0.744 3.661 -0.787) 3.818 11.390 ( -4.815 -5.762 -3.153) 8.145 11.390 ( -4.815 5.762 -3.153) 8.145 11.665 ( 1.793 -8.534 4.061) 9.620 11.665 ( 1.793 8.534 4.061) 9.620 13.659 ( -3.277 -2.493 1.398) 4.348 13.659 ( -3.277 2.493 1.398) 4.348 13.910 ( -2.152 -3.498 -3.378) 5.317 13.910 ( -2.152 3.498 -3.378) 5.317 14.249 ( 0.987 -4.149 1.710) 4.595 14.249 ( 0.987 4.149 1.710) 4.595 14.508 ( 1.027 -6.947 -0.661) 7.053 14.508 ( 1.027 6.947 -0.661) 7.053 14.831 ( 0.935 -7.465 0.045) 7.524 14.831 ( 0.935 7.465 0.045) 7.524 15.027 ( -1.537 -6.178 0.544) 6.389 15.027 ( -1.537 6.178 0.544) 6.389 22.888 ( -0.217 -4.683 -0.223) 4.693 22.888 ( -0.217 4.683 -0.223) 4.693 22.977 ( 3.319 -4.909 0.131) 5.927 22.977 ( 3.319 4.909 0.131) 5.927 24.748 ( -0.878 -15.802 0.039) 15.826 24.748 ( -0.878 15.802 0.039) 15.826 24.910 ( -2.284 -12.639 0.449) 12.852 24.910 ( -2.284 12.639 0.449) 12.852 25.835 ( 3.119 -3.311 -2.267) 5.083 25.835 ( 3.119 3.311 -2.267) 5.083 26.115 ( 3.367 -4.132 1.246) 5.474 26.115 ( 3.367 4.132 1.246) 5.474 27.150 ( -0.793 -2.263 -1.758) 2.974 27.150 ( -0.793 2.263 -1.758) 2.974 27.282 ( 2.242 -4.137 1.774) 5.029 27.282 ( 2.242 4.137 1.774) 5.029 28.304 ( -1.151 -2.907 0.758) 3.217 28.304 ( -1.151 2.907 0.758) 3.217 28.716 ( 0.267 -2.492 -2.647) 3.645 28.716 ( 0.267 2.492 -2.647) 3.645 29.185 ( -4.798 -7.323 2.749) 9.177 29.185 ( -4.798 7.323 2.749) 9.177 29.489 ( 2.861 -5.125 -0.373) 5.881 29.489 ( 2.861 5.125 -0.373) 5.881 31.964 ( -0.685 -0.213 -0.053) 0.720 31.964 ( -0.685 0.213 -0.053) 0.720 32.142 ( -0.795 -0.257 0.057) 0.838 32.142 ( -0.795 0.257 0.057) 0.838 35.300 ( -0.192 -4.190 -0.002) 4.194 35.300 ( -0.192 4.190 -0.002) 4.194 35.344 ( -0.031 -1.011 -0.053) 1.012 35.344 ( -0.031 1.011 -0.053) 1.012 39.302 ( 0.343 -2.107 0.014) 2.134 39.302 ( 0.343 2.107 0.014) 2.134 39.398 ( 0.906 -1.751 -0.037) 1.972 39.398 ( 0.906 1.751 -0.037) 1.972 47.072 ( 0.132 -5.677 0.008) 5.679 47.072 ( 0.132 5.677 0.008) 5.679 47.183 ( -0.323 -6.369 -0.025) 6.377 47.183 ( -0.323 6.369 -0.025) 6.377 65.368 ( -0.490 -18.063 -1.549) 18.136 65.368 ( -0.490 18.063 -1.549) 18.136 66.430 ( -3.247 -10.462 1.764) 11.096 66.430 ( -3.247 10.462 1.764) 11.096 85.231 ( 2.479 -2.661 -0.114) 3.638 85.231 ( 2.479 2.661 -0.114) 3.638 85.333 ( 2.928 -2.115 -0.031) 3.612 85.333 ( 2.928 2.115 -0.031) 3.612 87.298 ( 1.689 -0.704 1.345) 2.271 87.298 ( 1.689 0.704 1.345) 2.271 87.626 ( -0.270 -8.151 -1.940) 8.383 87.626 ( -0.270 8.151 -1.940) 8.383 ======================= Grid point 32 (19/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -13.220 -14.176 3.345) 19.670 2.379 ( -13.220 14.176 3.345) 19.670 2.582 ( -4.560 -16.921 -2.172) 17.658 2.582 ( -4.560 16.921 -2.172) 17.658 2.827 ( -9.787 -3.545 -6.464) 12.253 2.827 ( -9.787 3.545 -6.464) 12.253 3.158 ( -11.976 -9.288 5.422) 16.096 3.158 ( -11.976 9.288 5.422) 16.096 3.225 ( -5.010 -11.547 -3.187) 12.985 3.225 ( -5.010 11.547 -3.187) 12.985 3.272 ( -3.122 -5.313 -5.863) 8.506 3.272 ( -3.122 5.313 -5.863) 8.506 3.703 ( -2.329 -4.418 0.345) 5.006 3.703 ( -2.329 4.418 0.345) 5.006 3.910 ( 1.106 -5.063 6.509) 8.320 3.910 ( 1.106 5.063 6.509) 8.320 4.108 ( 5.458 -3.659 4.223) 7.811 4.108 ( 5.458 3.659 4.223) 7.811 4.398 ( 0.663 -4.921 3.843) 6.279 4.398 ( 0.663 4.921 3.843) 6.279 4.588 ( 5.784 -3.709 -3.406) 7.669 4.588 ( 5.784 3.709 -3.406) 7.669 4.914 ( 4.695 -4.426 0.734) 6.494 4.914 ( 4.695 4.426 0.734) 6.494 5.137 ( 3.655 -5.485 -0.976) 6.663 5.137 ( 3.655 5.485 -0.976) 6.663 5.367 ( 4.393 -1.408 2.469) 5.232 5.367 ( 4.393 1.408 2.469) 5.232 5.539 ( 9.506 -6.175 -2.543) 11.617 5.539 ( 9.506 6.175 -2.543) 11.617 5.577 ( 0.946 -3.712 -0.089) 3.831 5.577 ( 0.946 3.712 -0.089) 3.831 5.665 ( -1.888 -1.856 1.712) 3.153 5.665 ( -1.888 1.856 1.712) 3.153 5.880 ( 2.525 -5.565 1.464) 6.284 5.880 ( 2.525 5.565 1.464) 6.284 5.976 ( -1.259 -3.721 -1.706) 4.283 5.976 ( -1.259 3.721 -1.706) 4.283 6.123 ( -0.624 -5.166 3.187) 6.102 6.123 ( -0.624 5.166 3.187) 6.102 6.202 ( -0.457 -0.630 -0.007) 0.778 6.202 ( -0.457 0.630 -0.007) 0.778 6.384 ( 5.300 -4.670 -1.621) 7.247 6.384 ( 5.300 4.670 -1.621) 7.247 6.548 ( -1.084 -1.663 -2.214) 2.974 6.548 ( -1.084 1.663 -2.214) 2.974 6.661 ( 2.635 -2.244 -2.331) 4.173 6.661 ( 2.635 2.244 -2.331) 4.173 6.758 ( -3.754 -2.167 0.446) 4.357 6.758 ( -3.754 2.167 0.446) 4.357 7.027 ( 6.876 -2.484 0.527) 7.329 7.027 ( 6.876 2.484 0.527) 7.329 7.123 ( 1.569 -3.763 -3.613) 5.447 7.123 ( 1.569 3.763 -3.613) 5.447 7.306 ( 0.559 -1.477 -0.595) 1.687 7.306 ( 0.559 1.477 -0.595) 1.687 7.518 ( -6.735 -3.734 -3.607) 8.504 7.518 ( -6.735 3.734 -3.607) 8.504 7.791 ( 4.616 -4.823 2.904) 7.280 7.791 ( 4.616 4.823 2.904) 7.280 8.034 ( -4.992 -4.009 0.563) 6.427 8.034 ( -4.992 4.009 0.563) 6.427 8.191 ( -14.207 -9.239 -0.997) 16.976 8.191 ( -14.207 9.239 -0.997) 16.976 8.386 ( 0.064 -1.501 -1.619) 2.208 8.386 ( 0.064 1.501 -1.619) 2.208 8.495 ( 0.182 -2.823 5.304) 6.011 8.495 ( 0.182 2.823 5.304) 6.011 9.150 ( 4.205 -3.170 -5.457) 7.584 9.150 ( 4.205 3.170 -5.457) 7.584 9.415 ( 9.643 -5.551 6.326) 12.799 9.415 ( 9.643 5.551 6.326) 12.799 10.999 ( -0.168 -1.524 0.072) 1.535 10.999 ( -0.168 1.524 0.072) 1.535 11.094 ( 0.904 -1.987 -1.708) 2.771 11.094 ( 0.904 1.987 -1.708) 2.771 11.259 ( -6.799 -4.158 -3.695) 8.785 11.259 ( -6.799 4.158 -3.695) 8.785 11.725 ( 1.850 -9.521 4.983) 10.904 11.725 ( 1.850 9.521 4.983) 10.904 13.604 ( -3.129 -3.170 1.896) 4.841 13.604 ( -3.129 3.170 1.896) 4.841 13.838 ( -3.234 -5.901 -4.044) 7.850 13.838 ( -3.234 5.901 -4.044) 7.850 14.283 ( 1.503 -2.286 1.640) 3.190 14.283 ( 1.503 2.286 1.640) 3.190 14.523 ( 0.910 -5.380 -0.816) 5.517 14.523 ( 0.910 5.380 -0.816) 5.517 14.853 ( 1.208 -6.580 0.251) 6.695 14.853 ( 1.208 6.580 0.251) 6.695 14.997 ( -1.816 -6.771 0.462) 7.026 14.997 ( -1.816 6.771 0.462) 7.026 22.890 ( 0.440 -4.311 -0.220) 4.339 22.890 ( 0.440 4.311 -0.220) 4.339 23.041 ( 3.231 -3.895 0.107) 5.062 23.041 ( 3.231 3.895 0.107) 5.062 24.723 ( -1.650 -16.058 -0.266) 16.145 24.723 ( -1.650 16.058 -0.266) 16.145 24.872 ( -1.877 -13.504 0.839) 13.660 24.872 ( -1.877 13.504 0.839) 13.660 25.890 ( 3.745 -2.924 -2.432) 5.338 25.890 ( 3.745 2.924 -2.432) 5.338 26.194 ( 4.000 -5.863 1.225) 7.202 26.194 ( 4.000 5.863 1.225) 7.202 27.128 ( -0.642 -2.608 -1.520) 3.087 27.128 ( -0.642 2.608 -1.520) 3.087 27.333 ( 2.174 -3.818 1.481) 4.636 27.333 ( 2.174 3.818 1.481) 4.636 28.278 ( -1.857 -2.511 0.276) 3.135 28.278 ( -1.857 2.511 0.276) 3.135 28.729 ( 2.492 -2.327 -1.288) 3.645 28.729 ( 2.492 2.327 -1.288) 3.645 29.087 ( -6.654 -6.837 1.117) 9.605 29.087 ( -6.654 6.837 1.117) 9.605 29.543 ( 2.552 -4.237 0.523) 4.974 29.543 ( 2.552 4.237 0.523) 4.974 31.950 ( -0.758 -0.124 -0.074) 0.772 31.950 ( -0.758 0.124 -0.074) 0.772 32.124 ( -1.017 -0.075 0.078) 1.022 32.124 ( -1.017 0.075 0.078) 1.022 35.297 ( -0.154 -4.269 0.002) 4.272 35.297 ( -0.154 4.269 0.002) 4.272 35.342 ( -0.099 -1.597 -0.062) 1.601 35.342 ( -0.099 1.597 -0.062) 1.601 39.310 ( 0.427 -2.685 0.019) 2.719 39.310 ( 0.427 2.685 0.019) 2.719 39.417 ( 1.064 -2.574 -0.048) 2.786 39.417 ( 1.064 2.574 -0.048) 2.786 47.075 ( 0.172 -5.657 0.002) 5.660 47.075 ( 0.172 5.657 0.002) 5.660 47.176 ( -0.386 -6.060 -0.019) 6.072 47.176 ( -0.386 6.060 -0.019) 6.072 65.346 ( -0.878 -21.280 -2.040) 21.396 65.346 ( -0.878 21.280 -2.040) 21.396 66.372 ( -3.621 -17.893 2.278) 18.398 66.372 ( -3.621 17.893 2.278) 18.398 85.279 ( 2.403 -3.911 0.064) 4.591 85.279 ( 2.403 3.911 0.064) 4.591 85.401 ( 3.968 -3.127 -0.230) 5.057 85.401 ( 3.968 3.127 -0.230) 5.057 87.346 ( 2.343 -0.499 2.111) 3.193 87.346 ( 2.343 0.499 2.111) 3.193 87.606 ( -0.515 -7.048 -2.831) 7.612 87.606 ( -0.515 7.048 -2.831) 7.612 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -3.587 -7.204 3.445) 8.754 2.237 ( -3.587 7.204 3.445) 8.754 2.480 ( -4.055 -5.769 0.370) 7.061 2.480 ( -4.055 5.769 0.370) 7.061 2.544 ( -10.809 -3.165 -6.165) 12.840 2.544 ( -10.809 3.165 -6.165) 12.840 3.060 ( -1.994 -14.565 0.958) 14.732 3.060 ( -1.994 14.565 0.958) 14.732 3.212 ( 1.011 -6.931 -0.098) 7.005 3.212 ( 1.011 6.931 -0.098) 7.005 3.246 ( 0.678 -6.386 -1.505) 6.596 3.246 ( 0.678 6.386 -1.505) 6.596 3.655 ( -2.187 -1.767 0.210) 2.819 3.655 ( -2.187 1.767 0.210) 2.819 3.959 ( 1.667 -6.103 2.163) 6.686 3.959 ( 1.667 6.103 2.163) 6.686 4.142 ( -1.604 -3.077 0.901) 3.585 4.142 ( -1.604 3.077 0.901) 3.585 4.445 ( 1.334 -3.838 3.344) 5.263 4.445 ( 1.334 3.838 3.344) 5.263 4.693 ( 6.033 -5.502 -2.450) 8.525 4.693 ( 6.033 5.502 -2.450) 8.525 4.985 ( 2.643 -5.434 -0.357) 6.053 4.985 ( 2.643 5.434 -0.357) 6.053 5.134 ( -3.102 -3.810 0.686) 4.961 5.134 ( -3.102 3.810 0.686) 4.961 5.398 ( -1.116 -1.356 0.951) 1.997 5.398 ( -1.116 1.356 0.951) 1.997 5.582 ( 3.721 -1.167 -3.392) 5.169 5.582 ( 3.721 1.167 -3.392) 5.169 5.639 ( -0.005 -7.415 4.595) 8.724 5.639 ( -0.005 7.415 4.595) 8.724 5.706 ( 1.405 -2.535 -1.918) 3.475 5.706 ( 1.405 2.535 -1.918) 3.475 5.868 ( 1.606 -2.695 0.418) 3.164 5.868 ( 1.606 2.695 0.418) 3.164 5.998 ( 0.020 -4.735 -2.583) 5.394 5.998 ( 0.020 4.735 -2.583) 5.394 6.149 ( 0.505 -3.510 0.535) 3.586 6.149 ( 0.505 3.510 0.535) 3.586 6.233 ( 3.494 -3.402 3.143) 5.802 6.233 ( 3.494 3.402 3.143) 5.802 6.458 ( 2.401 -7.392 2.732) 8.238 6.458 ( 2.401 7.392 2.732) 8.238 6.511 ( -1.722 -5.681 -2.931) 6.620 6.511 ( -1.722 5.681 -2.931) 6.620 6.627 ( -3.931 -1.258 -2.612) 4.885 6.627 ( -3.931 1.258 -2.612) 4.885 6.784 ( 6.000 -2.388 -0.147) 6.460 6.784 ( 6.000 2.388 -0.147) 6.460 6.983 ( -6.137 -3.122 -1.116) 6.975 6.983 ( -6.137 3.122 -1.116) 6.975 7.227 ( 4.013 -2.001 -1.355) 4.684 7.227 ( 4.013 2.001 -1.355) 4.684 7.342 ( 3.267 -10.361 2.105) 11.066 7.342 ( 3.267 10.361 2.105) 11.066 7.448 ( -0.079 -11.974 -1.414) 12.057 7.448 ( -0.079 11.974 -1.414) 12.057 7.820 ( -1.433 -4.747 -1.542) 5.193 7.820 ( -1.433 4.747 -1.542) 5.193 7.919 ( -6.730 -4.765 -0.373) 8.255 7.919 ( -6.730 4.765 -0.373) 8.255 8.034 ( -1.897 -9.602 3.065) 10.257 8.034 ( -1.897 9.603 3.065) 10.257 8.352 ( -1.744 -3.065 -1.252) 3.742 8.352 ( -1.744 3.065 -1.252) 3.742 8.515 ( 0.120 -3.649 1.641) 4.003 8.515 ( 0.120 3.649 1.641) 4.003 9.194 ( 2.060 -1.380 -2.122) 3.263 9.194 ( 2.060 1.380 -2.122) 3.263 9.584 ( 4.867 -3.560 2.757) 6.631 9.584 ( 4.867 3.560 2.757) 6.631 11.003 ( 0.345 -1.506 0.631) 1.669 11.003 ( 0.345 1.506 0.631) 1.669 11.087 ( -0.710 -1.392 -3.131) 3.500 11.087 ( -0.710 1.392 -3.131) 3.500 11.149 ( -2.772 -2.432 -0.042) 3.688 11.149 ( -2.772 2.432 -0.042) 3.688 11.768 ( 0.672 -9.111 2.202) 9.398 11.768 ( 0.672 9.111 2.202) 9.398 13.572 ( -1.105 -1.983 1.024) 2.490 13.572 ( -1.105 1.983 1.024) 2.490 13.775 ( -1.520 -8.693 -1.915) 9.030 13.775 ( -1.520 8.693 -1.915) 9.030 14.310 ( 0.687 -0.924 0.612) 1.304 14.310 ( 0.687 0.924 0.612) 1.304 14.531 ( 0.334 -3.994 -0.341) 4.022 14.531 ( 0.334 3.994 -0.341) 4.022 14.870 ( 0.450 -6.422 0.147) 6.440 14.870 ( 0.450 6.422 0.147) 6.440 14.974 ( -0.706 -6.807 0.141) 6.845 14.974 ( -0.706 6.807 0.141) 6.845 22.897 ( 0.266 -4.308 -0.092) 4.317 22.897 ( 0.266 4.308 -0.092) 4.317 23.085 ( 1.306 -3.485 0.042) 3.722 23.085 ( 1.306 3.485 0.042) 3.722 24.696 ( -0.874 -16.490 -0.187) 16.515 24.696 ( -0.874 16.490 -0.187) 16.515 24.853 ( -0.592 -15.118 0.433) 15.136 24.853 ( -0.592 15.118 0.433) 15.136 25.934 ( 1.658 -3.089 -0.978) 3.640 25.934 ( 1.658 3.089 -0.978) 3.640 26.254 ( 1.723 -7.469 0.461) 7.679 26.254 ( 1.723 7.469 0.461) 7.679 27.114 ( -0.282 -2.613 -0.585) 2.693 27.114 ( -0.282 2.613 -0.585) 2.693 27.367 ( 0.852 -3.617 0.547) 3.756 27.367 ( 0.852 3.617 0.547) 3.756 28.249 ( -0.936 -1.757 -0.085) 1.993 28.249 ( -0.936 1.757 -0.085) 1.993 28.790 ( 3.581 -1.886 0.510) 4.080 28.790 ( 3.581 1.886 0.510) 4.080 28.972 ( -5.092 -5.373 -0.506) 7.420 28.972 ( -5.092 5.373 -0.506) 7.420 29.578 ( 0.927 -1.539 0.368) 1.833 29.578 ( 0.927 1.539 0.368) 1.833 31.939 ( -0.303 -0.377 -0.036) 0.485 31.939 ( -0.303 0.377 -0.036) 0.485 32.110 ( -0.462 -0.199 0.037) 0.505 32.110 ( -0.462 0.199 0.037) 0.505 35.295 ( -0.042 -4.438 0.003) 4.438 35.295 ( -0.042 4.438 0.003) 4.438 35.340 ( -0.063 -2.109 -0.028) 2.110 35.340 ( -0.063 2.109 -0.028) 2.110 39.316 ( 0.189 -3.124 0.009) 3.130 39.316 ( 0.189 3.124 0.009) 3.130 39.431 ( 0.453 -3.132 -0.022) 3.164 39.431 ( 0.453 3.132 -0.022) 3.164 47.077 ( 0.080 -5.665 -0.002) 5.665 47.077 ( 0.080 5.665 -0.002) 5.665 47.170 ( -0.167 -5.874 -0.004) 5.876 47.170 ( -0.167 5.874 -0.004) 5.876 65.324 ( -0.485 -23.279 -0.938) 23.303 65.324 ( -0.485 23.279 -0.938) 23.303 66.332 ( -1.464 -21.511 1.034) 21.585 66.332 ( -1.464 21.511 1.034) 21.585 85.311 ( 0.939 -4.513 0.071) 4.611 85.311 ( 0.939 4.513 0.071) 4.611 85.456 ( 1.773 -3.668 -0.139) 4.077 85.456 ( 1.773 3.668 -0.139) 4.077 87.391 ( 1.216 -0.435 1.265) 1.807 87.391 ( 1.216 0.435 1.265) 1.807 87.585 ( -0.382 -5.404 -1.578) 5.643 87.585 ( -0.382 5.404 -1.578) 5.643 ======================= Grid point 63 (21/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 8.940 0.000 31.450) 32.696 0.626 ( 1.317 0.000 33.340) 33.366 0.994 ( 0.668 0.000 52.479) 52.483 2.132 ( -3.789 0.000 -18.225) 18.615 2.345 ( -4.112 0.000 -20.597) 21.003 2.588 ( 6.574 0.000 2.739) 7.121 3.071 ( -15.198 0.000 -16.463) 22.406 3.114 ( -5.423 0.000 -4.507) 7.051 3.219 ( 5.797 0.000 -5.627) 8.079 3.234 ( 14.309 0.000 4.974) 15.148 3.554 ( -6.819 0.000 3.012) 7.455 3.702 ( -5.074 0.000 -1.465) 5.282 3.852 ( -1.826 0.000 5.970) 6.243 3.938 ( 3.253 0.000 11.874) 12.311 4.078 ( 0.803 0.000 -1.321) 1.546 4.133 ( -1.729 0.000 -1.301) 2.164 4.186 ( 0.773 0.000 -5.421) 5.476 4.232 ( -5.491 0.000 -5.185) 7.552 4.274 ( -0.057 0.000 -3.127) 3.128 4.287 ( 17.455 0.000 -2.100) 17.581 4.521 ( 0.340 0.000 7.792) 7.800 4.612 ( -3.698 0.000 2.628) 4.536 4.800 ( 0.162 0.000 -2.818) 2.823 4.842 ( -2.880 0.000 1.713) 3.351 4.969 ( -4.419 0.000 2.151) 4.915 5.021 ( 10.826 0.000 -5.605) 12.191 5.070 ( 4.412 0.000 9.672) 10.631 5.242 ( 0.354 0.000 -0.361) 0.505 5.327 ( -7.712 0.000 0.864) 7.760 5.369 ( -1.310 0.000 -1.492) 1.986 5.385 ( -2.391 0.000 -0.092) 2.393 5.448 ( 4.532 0.000 -3.591) 5.782 5.587 ( -3.550 0.000 -0.878) 3.657 5.635 ( 5.971 0.000 -2.940) 6.655 5.711 ( -1.429 0.000 -1.136) 1.826 5.751 ( 0.695 0.000 -1.737) 1.870 5.843 ( -9.387 0.000 6.517) 11.427 5.937 ( -6.957 0.000 5.393) 8.802 5.998 ( -2.135 0.000 -0.897) 2.315 6.058 ( 3.523 0.000 -1.875) 3.990 6.226 ( -3.713 0.000 6.317) 7.327 6.301 ( 5.104 0.000 1.746) 5.394 6.318 ( 2.722 0.000 4.436) 5.204 6.373 ( -5.054 0.000 -3.697) 6.262 6.409 ( -3.344 0.000 -0.650) 3.407 6.451 ( 8.097 0.000 -1.619) 8.258 6.553 ( -0.634 0.000 2.822) 2.893 6.590 ( -2.098 0.000 -3.386) 3.984 6.671 ( 4.609 0.000 1.986) 5.019 6.755 ( -0.504 0.000 2.058) 2.119 6.950 ( -3.997 0.000 -9.308) 10.130 6.995 ( 2.010 0.000 2.851) 3.488 7.199 ( -3.496 0.000 -9.621) 10.236 7.241 ( -0.976 0.000 -1.826) 2.070 7.423 ( 1.938 0.000 -0.541) 2.013 7.467 ( -2.426 0.000 2.589) 3.548 7.552 ( -10.456 0.000 -0.725) 10.481 7.604 ( 1.850 0.000 -1.284) 2.252 7.692 ( 12.323 0.000 -0.207) 12.325 7.741 ( -2.035 0.000 -1.114) 2.320 7.896 ( 3.968 0.000 8.915) 9.758 8.347 ( -2.917 0.000 -4.702) 5.534 8.391 ( -0.922 0.000 -0.374) 0.995 8.406 ( -19.716 0.000 -0.345) 19.719 8.491 ( -2.107 0.000 3.627) 4.195 8.620 ( -8.130 0.000 4.273) 9.184 8.766 ( 2.911 0.000 -3.092) 4.247 8.869 ( 36.363 0.000 -2.237) 36.432 9.081 ( -5.390 0.000 5.753) 7.883 9.206 ( 1.264 0.000 1.894) 2.278 9.468 ( 9.435 0.000 -2.149) 9.677 9.506 ( 0.439 0.000 -2.923) 2.955 10.753 ( 0.360 0.000 0.440) 0.569 10.835 ( 1.232 0.000 -2.708) 2.975 10.954 ( 2.754 0.000 3.646) 4.570 11.227 ( -8.349 0.000 -5.344) 9.912 11.420 ( 4.061 0.000 2.188) 4.613 11.467 ( 7.523 0.000 3.086) 8.131 11.527 ( -4.041 0.000 -0.476) 4.069 11.609 ( -3.749 0.000 -1.690) 4.112 13.641 ( 4.639 0.000 1.546) 4.889 13.726 ( -1.136 0.000 0.736) 1.354 13.793 ( -3.811 0.000 -2.209) 4.405 13.887 ( 0.892 0.000 -3.221) 3.342 14.035 ( 0.422 0.000 3.081) 3.110 14.314 ( 0.185 0.000 -6.569) 6.571 14.443 ( -0.176 0.000 0.743) 0.763 14.469 ( -0.147 0.000 0.022) 0.149 14.620 ( 4.990 0.000 9.102) 10.381 14.972 ( -2.272 0.000 -2.458) 3.347 15.269 ( -13.341 0.000 2.033) 13.495 15.437 ( 1.752 0.000 -2.069) 2.711 22.526 ( 0.298 0.000 -0.009) 0.298 22.529 ( -4.853 0.000 -0.092) 4.854 23.422 ( 0.158 0.000 0.268) 0.311 23.435 ( 0.097 0.000 -0.008) 0.097 23.722 ( -0.599 0.000 0.412) 0.727 23.766 ( 0.291 0.000 -0.621) 0.686 25.634 ( -24.303 0.000 1.182) 24.332 25.710 ( 2.487 0.000 -0.472) 2.531 25.953 ( 12.073 0.000 -0.584) 12.088 25.970 ( -6.993 0.000 -2.493) 7.424 26.168 ( 5.288 0.000 5.526) 7.649 26.449 ( -1.356 0.000 -2.599) 2.931 27.096 ( 0.063 0.000 -0.088) 0.108 27.107 ( 0.096 0.000 -0.264) 0.281 27.287 ( 27.656 0.000 1.905) 27.721 27.452 ( -3.768 0.000 -2.182) 4.354 28.238 ( -1.020 0.000 0.731) 1.255 28.283 ( 2.057 0.000 -0.069) 2.058 28.498 ( -2.962 0.000 1.117) 3.165 28.646 ( 1.674 0.000 -2.182) 2.750 29.025 ( -2.775 0.000 1.046) 2.965 29.093 ( 2.850 0.000 -0.669) 2.928 29.642 ( -4.006 0.000 1.083) 4.150 29.724 ( 34.800 0.000 -0.962) 34.813 31.989 ( -0.480 0.000 1.184) 1.277 32.054 ( -0.129 0.000 0.440) 0.458 32.079 ( 0.117 0.000 -0.907) 0.915 32.099 ( 2.506 0.000 -0.801) 2.631 35.011 ( -0.085 0.000 0.473) 0.480 35.051 ( 0.086 0.000 -0.494) 0.501 35.499 ( 0.914 0.000 0.179) 0.931 35.512 ( -8.152 0.000 -0.143) 8.154 39.236 ( -0.142 0.000 0.324) 0.353 39.265 ( 0.194 0.000 -0.407) 0.451 39.425 ( 0.337 0.000 0.441) 0.555 39.456 ( -7.403 0.000 -0.340) 7.410 46.818 ( 0.015 0.000 0.599) 0.599 46.873 ( -1.666 0.000 -0.780) 1.840 47.424 ( -0.039 0.000 1.017) 1.018 47.498 ( 0.018 0.000 -0.820) 0.820 63.996 ( 1.000 0.000 0.539) 1.136 64.047 ( -1.042 0.000 -0.722) 1.267 66.422 ( -10.921 0.000 4.398) 11.773 66.776 ( 122.013 0.000 -4.312) 122.090 85.165 ( -0.258 0.000 0.326) 0.416 85.210 ( 0.510 0.000 -0.941) 1.070 85.496 ( 3.386 0.000 2.405) 4.153 85.679 ( -47.444 0.000 -2.272) 47.499 87.225 ( -3.228 0.000 -0.363) 3.249 87.270 ( 2.138 0.000 -2.370) 3.192 87.377 ( -0.125 0.000 2.807) 2.809 87.424 ( -53.070 0.000 0.785) 53.076 ======================= Grid point 64 (22/90) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 1.366 0.000 31.872) 31.901 1.005 ( 19.241 0.000 27.412) 33.490 1.707 ( 41.150 0.000 34.761) 53.867 1.888 ( -9.859 0.000 -21.986) 24.095 2.215 ( 0.054 0.000 -18.186) 18.186 2.612 ( -21.696 0.000 -16.268) 27.118 2.719 ( 3.000 0.000 8.483) 8.998 2.975 ( -5.686 0.000 -3.710) 6.789 3.306 ( 6.915 0.000 -14.560) 16.119 3.447 ( 5.886 0.000 7.023) 9.163 3.483 ( -1.143 0.000 -0.858) 1.429 3.484 ( -12.670 0.000 4.747) 13.530 3.853 ( -13.052 0.000 4.826) 13.916 3.935 ( -2.723 0.000 -2.128) 3.456 4.001 ( -7.637 0.000 -1.455) 7.774 4.087 ( -10.114 0.000 -6.097) 11.810 4.109 ( -6.950 0.000 -1.281) 7.067 4.141 ( -3.457 0.000 -4.314) 5.529 4.162 ( -2.992 0.000 1.284) 3.255 4.438 ( 2.367 0.000 6.779) 7.180 4.600 ( 1.017 0.000 3.560) 3.703 4.668 ( 9.152 0.000 -3.596) 9.833 4.710 ( -0.781 0.000 -2.077) 2.219 4.833 ( 3.528 0.000 -0.843) 3.628 4.945 ( -0.107 0.000 1.439) 1.443 5.158 ( -4.508 0.000 4.466) 6.345 5.188 ( 4.939 0.000 4.391) 6.609 5.262 ( 4.406 0.000 4.196) 6.085 5.301 ( -4.802 0.000 -1.438) 5.012 5.324 ( 8.214 0.000 -7.407) 11.060 5.420 ( 6.824 0.000 1.040) 6.903 5.505 ( 2.373 0.000 -3.623) 4.331 5.517 ( -3.846 0.000 -2.538) 4.608 5.605 ( -7.036 0.000 -1.641) 7.224 5.758 ( -4.011 0.000 -0.324) 4.024 5.759 ( 4.902 0.000 -4.309) 6.526 5.829 ( 5.345 0.000 3.485) 6.381 5.942 ( 5.075 0.000 2.468) 5.643 6.024 ( 5.135 0.000 7.132) 8.789 6.139 ( -2.724 0.000 1.747) 3.236 6.201 ( -6.603 0.000 2.242) 6.973 6.224 ( 6.974 0.000 -0.636) 7.003 6.330 ( -4.811 0.000 2.564) 5.452 6.380 ( 1.080 0.000 4.321) 4.454 6.382 ( 1.237 0.000 -1.913) 2.278 6.516 ( -2.488 0.000 -2.127) 3.273 6.562 ( 2.445 0.000 1.306) 2.772 6.592 ( 5.545 0.000 -1.322) 5.701 6.723 ( -3.289 0.000 -0.123) 3.292 6.761 ( 2.067 0.000 4.449) 4.906 6.922 ( 2.755 0.000 -4.430) 5.217 7.040 ( 0.663 0.000 4.724) 4.770 7.106 ( -11.122 0.000 -5.593) 12.449 7.108 ( 1.968 0.000 -9.717) 9.914 7.329 ( -4.133 0.000 1.042) 4.262 7.391 ( -2.741 0.000 0.466) 2.780 7.429 ( -3.777 0.000 1.432) 4.039 7.726 ( 6.816 0.000 0.302) 6.823 7.777 ( 2.652 0.000 -2.525) 3.661 7.884 ( 6.950 0.000 0.497) 6.968 8.067 ( 8.067 0.000 7.452) 10.982 8.101 ( -11.176 0.000 6.016) 12.692 8.358 ( 0.842 0.000 -3.444) 3.546 8.369 ( -10.271 0.000 0.721) 10.296 8.438 ( -2.071 0.000 1.122) 2.355 8.488 ( 4.876 0.000 -1.027) 4.983 8.756 ( -3.404 0.000 -0.928) 3.529 8.980 ( -6.562 0.000 5.713) 8.700 9.204 ( -3.131 0.000 3.320) 4.564 9.280 ( 12.603 0.000 -2.675) 12.884 9.460 ( -3.290 0.000 -3.894) 5.098 9.564 ( 0.480 0.000 -7.500) 7.515 10.840 ( 0.155 0.000 1.165) 1.175 10.853 ( 9.085 0.000 0.793) 9.120 11.049 ( -6.651 0.000 -4.148) 7.838 11.072 ( 6.576 0.000 5.077) 8.308 11.424 ( -3.911 0.000 -5.199) 6.506 11.448 ( -1.285 0.000 3.373) 3.609 11.507 ( -5.430 0.000 -3.769) 6.610 11.632 ( 5.785 0.000 2.218) 6.196 13.704 ( -0.578 0.000 -2.276) 2.349 13.773 ( 2.908 0.000 -0.422) 2.938 13.892 ( 5.121 0.000 -3.774) 6.361 13.995 ( 9.800 0.000 -4.694) 10.866 14.066 ( 1.190 0.000 4.217) 4.382 14.399 ( 7.463 0.000 -10.201) 12.639 14.456 ( 1.081 0.000 0.311) 1.124 14.499 ( 5.414 0.000 -2.375) 5.912 14.757 ( 4.276 0.000 1.972) 4.708 14.853 ( -7.463 0.000 -4.208) 8.567 15.237 ( 3.697 0.000 0.483) 3.729 15.509 ( 5.569 0.000 -0.804) 5.627 22.562 ( 3.242 0.000 0.627) 3.302 22.580 ( 6.182 0.000 -2.729) 6.757 23.389 ( -3.695 0.000 0.363) 3.713 23.413 ( -2.137 0.000 -0.465) 2.187 23.702 ( -1.304 0.000 0.100) 1.308 23.748 ( -1.786 0.000 -0.450) 1.842 25.542 ( 4.909 0.000 4.351) 6.559 25.779 ( -3.003 0.000 -2.691) 4.032 25.899 ( 7.586 0.000 2.715) 8.058 26.157 ( 4.547 0.000 -5.715) 7.303 26.315 ( 7.927 0.000 5.067) 9.408 26.454 ( 5.884 0.000 -5.852) 8.299 27.095 ( -0.080 0.000 -0.039) 0.089 27.106 ( -0.029 0.000 -0.202) 0.205 27.378 ( -2.343 0.000 -6.026) 6.465 27.662 ( 14.955 0.000 -9.502) 17.718 28.193 ( -3.238 0.000 0.544) 3.283 28.321 ( 1.575 0.000 0.630) 1.696 28.445 ( -3.352 0.000 1.040) 3.509 28.697 ( 4.166 0.000 -1.559) 4.448 28.958 ( -3.662 0.000 -1.717) 4.045 29.076 ( -4.963 0.000 0.591) 4.998 29.579 ( -1.455 0.000 -2.901) 3.245 29.771 ( -16.131 0.000 9.784) 18.866 31.986 ( -0.389 0.000 1.146) 1.210 32.037 ( -1.864 0.000 0.406) 1.908 32.075 ( -0.285 0.000 -0.906) 0.950 32.131 ( 1.395 0.000 -2.277) 2.670 35.011 ( -0.288 0.000 0.626) 0.689 35.053 ( 0.448 0.000 -0.540) 0.702 35.411 ( -2.227 0.000 2.314) 3.212 35.515 ( 0.393 0.000 0.887) 0.970 39.222 ( -1.257 0.000 0.296) 1.292 39.261 ( -0.330 0.000 -0.350) 0.481 39.456 ( 2.264 0.000 1.183) 2.554 39.486 ( 6.071 0.000 -2.836) 6.701 46.823 ( 0.102 0.000 0.786) 0.793 46.858 ( -0.002 0.000 -0.582) 0.582 47.429 ( 0.081 0.000 1.030) 1.033 47.490 ( -0.309 0.000 -0.958) 1.007 63.963 ( -6.584 0.000 -1.646) 6.786 63.991 ( -0.478 0.000 0.185) 0.512 66.312 ( -0.289 0.000 -4.010) 4.020 68.039 ( 21.994 0.000 -31.976) 38.810 85.167 ( 0.347 0.000 0.249) 0.427 85.230 ( 2.092 0.000 -1.115) 2.371 85.470 ( 13.176 0.000 -7.152) 14.992 85.595 ( 3.757 0.000 6.598) 7.592 87.253 ( 5.082 0.000 -2.672) 5.742 87.297 ( 2.071 0.000 -2.619) 3.339 87.487 ( 8.432 0.000 8.727) 12.135 87.565 ( 33.742 0.000 -17.653) 38.081 ======================= Grid point 65 (23/90) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 8.991 0.000 25.859) 27.378 1.450 ( 10.301 0.000 12.253) 16.008 1.706 ( 6.944 0.000 -7.220) 10.017 1.987 ( -23.973 0.000 -0.700) 23.984 2.297 ( 11.260 0.000 -24.603) 27.057 2.654 ( 35.034 0.000 22.428) 41.598 2.727 ( -5.202 0.000 5.029) 7.235 2.885 ( -3.823 0.000 -0.929) 3.934 3.237 ( -6.303 0.000 -9.940) 11.770 3.368 ( -8.989 0.000 6.061) 10.842 3.416 ( -24.867 0.000 1.577) 24.917 3.454 ( 2.235 0.000 -11.416) 11.633 3.578 ( 3.986 0.000 8.452) 9.344 3.849 ( -2.462 0.000 -7.924) 8.298 3.915 ( -14.785 0.000 0.705) 14.802 3.932 ( 0.911 0.000 -1.402) 1.672 3.964 ( -11.220 0.000 1.890) 11.378 4.042 ( 2.860 0.000 -4.562) 5.384 4.133 ( 4.257 0.000 -0.805) 4.332 4.403 ( -13.483 0.000 7.158) 15.265 4.566 ( 3.717 0.000 3.009) 4.782 4.754 ( -1.786 0.000 -5.982) 6.243 4.872 ( 8.929 0.000 -8.950) 12.642 4.878 ( 6.247 0.000 1.034) 6.332 4.987 ( 1.366 0.000 3.778) 4.017 5.071 ( -5.886 0.000 -0.621) 5.919 5.199 ( -4.274 0.000 -2.135) 4.778 5.215 ( -5.273 0.000 1.334) 5.439 5.339 ( 7.763 0.000 -4.836) 9.146 5.372 ( -4.127 0.000 -10.132) 10.940 5.502 ( 1.401 0.000 4.700) 4.904 5.516 ( 2.411 0.000 -0.134) 2.415 5.598 ( 8.530 0.000 7.195) 11.159 5.599 ( 11.180 0.000 4.025) 11.882 5.671 ( -1.170 0.000 -6.745) 6.846 5.735 ( -4.425 0.000 -3.998) 5.964 5.868 ( -0.953 0.000 5.707) 5.786 6.062 ( -2.719 0.000 0.183) 2.725 6.114 ( 3.506 0.000 0.912) 3.623 6.180 ( -0.711 0.000 5.724) 5.768 6.204 ( 6.047 0.000 1.038) 6.136 6.239 ( -1.006 0.000 1.299) 1.642 6.337 ( 5.328 0.000 0.173) 5.330 6.375 ( -1.458 0.000 4.287) 4.528 6.388 ( -0.159 0.000 -0.102) 0.189 6.452 ( -3.471 0.000 -5.333) 6.363 6.557 ( -6.964 0.000 0.710) 7.000 6.667 ( 0.859 0.000 -0.141) 0.871 6.700 ( 6.886 0.000 -2.773) 7.424 6.849 ( 4.547 0.000 8.048) 9.243 6.941 ( -2.177 0.000 -4.033) 4.583 6.979 ( 1.392 0.000 1.233) 1.859 7.076 ( 0.542 0.000 8.998) 9.014 7.171 ( 6.567 0.000 -6.784) 9.442 7.294 ( -2.047 0.000 1.807) 2.730 7.328 ( -3.422 0.000 -3.835) 5.140 7.389 ( -0.990 0.000 1.330) 1.658 7.777 ( -0.946 0.000 -1.996) 2.209 7.807 ( 0.568 0.000 3.890) 3.931 7.929 ( -1.490 0.000 -3.662) 3.953 8.049 ( 4.211 0.000 1.380) 4.432 8.100 ( -6.328 0.000 -5.080) 8.115 8.208 ( -1.337 0.000 2.659) 2.976 8.278 ( -4.086 0.000 -3.864) 5.624 8.487 ( 3.314 0.000 2.108) 3.928 8.645 ( -7.741 0.000 1.095) 7.818 8.727 ( 14.357 0.000 5.038) 15.216 8.878 ( -8.162 0.000 4.757) 9.447 9.122 ( -6.751 0.000 1.098) 6.840 9.383 ( -2.586 0.000 -2.022) 3.283 9.435 ( 5.966 0.000 -1.696) 6.202 9.497 ( -2.235 0.000 -5.526) 5.961 10.885 ( 3.134 0.000 4.249) 5.280 10.915 ( -3.089 0.000 -1.548) 3.455 11.071 ( 8.988 0.000 -0.387) 8.996 11.188 ( 2.229 0.000 3.240) 3.933 11.293 ( -6.543 0.000 -3.600) 7.468 11.428 ( -0.437 0.000 -5.347) 5.365 11.433 ( -0.965 0.000 2.897) 3.054 11.666 ( -2.022 0.000 -1.412) 2.466 13.716 ( 2.415 0.000 -0.137) 2.419 13.856 ( 4.572 0.000 1.621) 4.851 13.958 ( 4.168 0.000 -2.625) 4.926 14.072 ( 2.201 0.000 -1.791) 2.838 14.123 ( 2.371 0.000 5.287) 5.795 14.421 ( 0.566 0.000 -5.223) 5.254 14.469 ( -0.174 0.000 -0.372) 0.411 14.624 ( 8.540 0.000 -5.886) 10.372 14.708 ( -5.090 0.000 -3.294) 6.063 14.795 ( 0.140 0.000 -0.032) 0.143 15.297 ( 2.037 0.000 2.302) 3.074 15.598 ( 3.879 0.000 0.038) 3.879 22.637 ( 3.996 0.000 1.218) 4.177 22.673 ( 5.117 0.000 -2.210) 5.574 23.305 ( -5.162 0.000 0.406) 5.177 23.361 ( -2.791 0.000 -1.082) 2.994 23.681 ( -0.948 0.000 0.007) 0.948 23.709 ( -1.945 0.000 -0.361) 1.978 25.680 ( -3.656 0.000 -2.233) 4.284 25.707 ( 9.500 0.000 4.356) 10.451 26.101 ( 7.815 0.000 4.848) 9.197 26.108 ( -4.776 0.000 -4.034) 6.251 26.522 ( 11.224 0.000 5.540) 12.517 26.579 ( 9.429 0.000 -7.168) 11.844 27.094 ( -0.083 0.000 0.034) 0.090 27.105 ( 0.027 0.000 -0.110) 0.114 27.301 ( -2.231 0.000 -6.869) 7.222 27.807 ( 6.493 0.000 -5.718) 8.652 28.156 ( -0.808 0.000 1.027) 1.307 28.333 ( -0.237 0.000 -2.178) 2.191 28.390 ( -3.604 0.000 3.422) 4.969 28.747 ( 0.575 0.000 -1.334) 1.453 28.885 ( -2.338 0.000 -4.750) 5.295 28.950 ( -6.101 0.000 -2.181) 6.479 29.530 ( -15.402 0.000 15.637) 21.948 29.570 ( 1.848 0.000 -3.551) 4.003 31.985 ( -0.503 0.000 1.162) 1.267 32.000 ( -2.010 0.000 0.611) 2.101 32.062 ( -0.397 0.000 -1.218) 1.281 32.137 ( 0.516 0.000 -1.864) 1.934 35.008 ( -0.388 0.000 0.767) 0.859 35.060 ( 0.539 0.000 -0.598) 0.805 35.409 ( 0.447 0.000 0.871) 0.979 35.519 ( -0.394 0.000 0.681) 0.787 39.202 ( -1.010 0.000 0.296) 1.053 39.253 ( -0.348 0.000 -0.379) 0.514 39.504 ( 1.909 0.000 1.721) 2.571 39.573 ( 4.688 0.000 -2.733) 5.426 46.828 ( -0.043 0.000 0.826) 0.827 46.857 ( 0.160 0.000 -0.634) 0.653 47.436 ( 0.144 0.000 0.811) 0.824 47.480 ( -0.210 0.000 -0.920) 0.943 63.840 ( -4.925 0.000 -1.144) 5.056 63.988 ( 0.363 0.000 -1.201) 1.254 66.368 ( 7.473 0.000 -3.342) 8.186 67.973 ( -8.182 0.000 -13.116) 15.459 85.177 ( 0.507 0.000 0.476) 0.695 85.270 ( 2.867 0.000 -1.951) 3.468 85.641 ( 8.536 0.000 -6.921) 10.989 85.662 ( -0.551 0.000 7.264) 7.285 87.319 ( 3.402 0.000 -1.777) 3.838 87.326 ( 2.526 0.000 -3.208) 4.083 87.704 ( 6.475 0.000 15.920) 17.186 88.070 ( 30.210 0.000 -22.008) 37.376 ======================= Grid point 66 (24/90) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 16.302 0.000 20.615) 26.282 1.532 ( -24.881 0.000 6.009) 25.596 1.533 ( 5.019 0.000 0.763) 5.077 1.989 ( 7.827 0.000 12.234) 14.524 2.454 ( 16.443 0.000 -19.991) 25.885 2.684 ( 1.925 0.000 -4.791) 5.163 2.753 ( -9.559 0.000 -2.369) 9.848 2.921 ( -16.361 0.000 -2.920) 16.619 3.135 ( -3.484 0.000 5.628) 6.619 3.139 ( 6.587 0.000 -1.043) 6.669 3.344 ( -0.801 0.000 3.143) 3.243 3.524 ( 4.679 0.000 -2.835) 5.470 3.607 ( -7.174 0.000 -5.665) 9.141 3.667 ( 0.165 0.000 1.339) 1.349 3.768 ( -14.176 0.000 7.803) 16.182 3.819 ( 1.248 0.000 -0.201) 1.264 3.981 ( 1.787 0.000 1.751) 2.502 4.109 ( 3.620 0.000 -0.253) 3.629 4.212 ( -7.839 0.000 3.790) 8.707 4.280 ( 12.893 0.000 -4.651) 13.706 4.617 ( 0.421 0.000 -1.016) 1.100 4.622 ( -7.661 0.000 -4.321) 8.796 4.862 ( 0.880 0.000 -7.822) 7.872 4.957 ( -0.390 0.000 -1.490) 1.540 4.966 ( -3.876 0.000 -0.143) 3.879 5.020 ( 0.792 0.000 4.192) 4.266 5.180 ( -0.557 0.000 2.685) 2.742 5.195 ( 6.665 0.000 -2.460) 7.105 5.358 ( 7.698 0.000 -4.605) 8.970 5.411 ( 3.119 0.000 1.012) 3.279 5.475 ( -2.732 0.000 0.264) 2.744 5.555 ( -9.653 0.000 -1.530) 9.774 5.654 ( 8.913 0.000 -5.917) 10.699 5.684 ( 2.378 0.000 -4.463) 5.057 5.779 ( 3.056 0.000 3.450) 4.609 5.839 ( 6.355 0.000 2.519) 6.836 5.902 ( 3.498 0.000 4.408) 5.627 5.978 ( -11.240 0.000 8.522) 14.105 6.025 ( -0.974 0.000 -3.080) 3.230 6.157 ( -5.338 0.000 3.509) 6.388 6.241 ( 1.420 0.000 1.983) 2.439 6.318 ( 1.807 0.000 1.365) 2.264 6.334 ( -0.679 0.000 -0.655) 0.944 6.350 ( -0.755 0.000 0.931) 1.199 6.401 ( -6.256 0.000 1.673) 6.476 6.446 ( 5.653 0.000 -0.770) 5.705 6.514 ( 2.486 0.000 4.924) 5.516 6.712 ( -1.429 0.000 -6.653) 6.805 6.774 ( 8.001 0.000 -0.714) 8.032 6.885 ( -2.140 0.000 -1.804) 2.799 6.926 ( 0.466 0.000 4.540) 4.564 7.007 ( -13.052 0.000 -0.758) 13.074 7.022 ( 0.901 0.000 4.630) 4.717 7.247 ( 3.009 0.000 -4.122) 5.104 7.254 ( -2.730 0.000 0.278) 2.744 7.319 ( 4.715 0.000 -4.074) 6.231 7.395 ( 0.798 0.000 3.712) 3.796 7.778 ( 4.045 0.000 5.017) 6.445 7.786 ( -3.578 0.000 1.366) 3.830 7.919 ( 0.746 0.000 -3.579) 3.656 8.070 ( 5.389 0.000 -5.814) 7.927 8.083 ( -0.047 0.000 -0.453) 0.456 8.183 ( -2.875 0.000 2.579) 3.862 8.281 ( 5.675 0.000 -2.403) 6.162 8.524 ( -5.956 0.000 2.768) 6.568 8.530 ( -0.471 0.000 2.404) 2.450 8.729 ( -8.128 0.000 0.591) 8.149 8.901 ( -1.591 0.000 -0.946) 1.851 9.041 ( 1.609 0.000 1.020) 1.905 9.354 ( -0.654 0.000 2.668) 2.747 9.458 ( -0.279 0.000 -4.038) 4.048 9.494 ( 2.409 0.000 -1.977) 3.117 10.868 ( -0.657 0.000 -1.675) 1.799 10.947 ( -1.846 0.000 2.917) 3.452 11.128 ( -0.771 0.000 -2.997) 3.095 11.174 ( 2.002 0.000 0.725) 2.129 11.273 ( -0.005 0.000 3.701) 3.701 11.427 ( 2.309 0.000 -3.048) 3.824 11.476 ( 3.484 0.000 1.267) 3.707 11.569 ( -5.571 0.000 -4.863) 7.395 13.776 ( 2.898 0.000 3.122) 4.260 13.915 ( 0.703 0.000 1.759) 1.894 14.013 ( 2.832 0.000 -1.686) 3.296 14.088 ( 0.649 0.000 -1.032) 1.219 14.164 ( -1.736 0.000 1.724) 2.447 14.388 ( -0.752 0.000 -6.879) 6.920 14.469 ( 1.255 0.000 3.108) 3.351 14.658 ( 0.212 0.000 -0.928) 0.952 14.702 ( 2.243 0.000 -7.955) 8.265 14.792 ( 0.558 0.000 0.885) 1.046 15.367 ( 3.670 0.000 8.024) 8.824 15.641 ( 0.776 0.000 -0.041) 0.777 22.698 ( 1.475 0.000 1.006) 1.785 22.740 ( 2.914 0.000 -1.042) 3.094 23.230 ( -2.593 0.000 0.637) 2.670 23.315 ( -1.178 0.000 -1.374) 1.810 23.669 ( -0.350 0.000 -0.084) 0.360 23.682 ( -0.709 0.000 -0.277) 0.761 25.647 ( 0.621 0.000 0.744) 0.969 25.884 ( 3.592 0.000 4.064) 5.424 26.002 ( -1.136 0.000 -2.538) 2.781 26.193 ( 0.460 0.000 2.533) 2.574 26.673 ( 0.273 0.000 0.241) 0.364 26.698 ( 6.651 0.000 -5.663) 8.735 27.093 ( -0.073 0.000 0.042) 0.084 27.105 ( -0.052 0.000 -0.268) 0.273 27.295 ( 5.129 0.000 1.954) 5.489 27.878 ( 4.029 0.000 -2.274) 4.627 28.165 ( 0.401 0.000 1.001) 1.079 28.296 ( -1.332 0.000 -4.223) 4.428 28.342 ( -3.623 0.000 2.563) 4.438 28.679 ( -4.221 0.000 -3.366) 5.399 28.826 ( -1.262 0.000 -6.439) 6.561 28.901 ( 0.960 0.000 -3.407) 3.540 29.366 ( -10.520 0.000 13.426) 17.057 29.599 ( 2.572 0.000 -1.956) 3.232 31.967 ( -0.995 0.000 0.567) 1.146 31.990 ( -0.319 0.000 1.567) 1.599 32.051 ( 0.010 0.000 -1.551) 1.551 32.135 ( 0.232 0.000 -1.779) 1.794 35.006 ( -0.258 0.000 0.830) 0.869 35.065 ( 0.340 0.000 -0.659) 0.741 35.425 ( 0.660 0.000 0.954) 1.160 35.509 ( -0.712 0.000 -0.099) 0.719 39.191 ( -0.305 0.000 0.481) 0.569 39.245 ( -0.199 0.000 -0.585) 0.618 39.533 ( 0.217 0.000 1.649) 1.663 39.629 ( 2.669 0.000 -1.673) 3.150 46.828 ( -0.281 0.000 0.643) 0.701 46.859 ( 0.310 0.000 -0.417) 0.519 47.440 ( -0.123 0.000 0.552) 0.565 47.476 ( 0.211 0.000 -0.661) 0.693 63.789 ( -0.561 0.000 0.967) 1.118 63.989 ( 0.626 0.000 -2.257) 2.342 66.514 ( 7.564 0.000 3.467) 8.321 67.728 ( -10.273 0.000 -15.192) 18.339 85.187 ( 0.189 0.000 0.704) 0.729 85.306 ( 2.065 0.000 -2.930) 3.585 85.649 ( -3.837 0.000 5.328) 6.566 85.738 ( 5.189 0.000 -2.440) 5.734 87.350 ( 1.731 0.000 -3.547) 3.947 87.352 ( 1.065 0.000 -2.293) 2.529 87.823 ( -2.945 0.000 16.551) 16.811 88.470 ( 23.003 0.000 -10.488) 25.281 ======================= Grid point 67 (25/90) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -22.932 0.000 17.141) 28.630 1.550 ( -11.565 0.000 4.675) 12.474 1.836 ( 20.754 0.000 12.603) 24.281 2.057 ( 0.977 0.000 9.111) 9.163 2.500 ( -4.226 0.000 -10.079) 10.929 2.558 ( -3.908 0.000 -12.638) 13.229 2.676 ( -3.205 0.000 -9.195) 9.738 3.000 ( 18.835 0.000 7.324) 20.209 3.070 ( -7.212 0.000 -6.991) 10.044 3.247 ( 10.350 0.000 7.813) 12.967 3.351 ( -3.817 0.000 -8.838) 9.627 3.373 ( 0.478 0.000 6.743) 6.760 3.537 ( -8.254 0.000 4.730) 9.513 3.608 ( -2.113 0.000 -9.263) 9.501 3.662 ( -0.265 0.000 -2.225) 2.241 3.869 ( 3.198 0.000 2.514) 4.068 4.027 ( 2.622 0.000 3.956) 4.746 4.165 ( 2.316 0.000 2.483) 3.395 4.232 ( 6.251 0.000 2.621) 6.779 4.351 ( -6.396 0.000 -3.602) 7.340 4.569 ( -2.854 0.000 -2.219) 3.615 4.641 ( 15.093 0.000 -3.855) 15.577 4.915 ( -2.852 0.000 -1.220) 3.102 4.926 ( 3.306 0.000 -3.676) 4.944 4.972 ( 4.008 0.000 2.305) 4.624 5.060 ( 2.339 0.000 2.254) 3.248 5.196 ( 0.919 0.000 -0.080) 0.922 5.289 ( -2.318 0.000 -4.793) 5.324 5.336 ( -6.038 0.000 1.166) 6.149 5.383 ( -3.251 0.000 -4.929) 5.904 5.498 ( 3.687 0.000 -1.292) 3.907 5.557 ( -0.269 0.000 -1.448) 1.473 5.628 ( 1.347 0.000 0.772) 1.553 5.636 ( -12.189 0.000 -1.708) 12.309 5.795 ( 0.522 0.000 6.864) 6.884 5.803 ( 6.717 0.000 -2.236) 7.079 5.877 ( -4.383 0.000 1.164) 4.534 6.063 ( 3.546 0.000 -2.105) 4.124 6.082 ( 6.005 0.000 6.325) 8.722 6.109 ( -1.371 0.000 4.063) 4.289 6.240 ( -6.677 0.000 1.955) 6.958 6.283 ( -5.042 0.000 3.528) 6.154 6.346 ( 0.916 0.000 1.429) 1.697 6.366 ( 0.633 0.000 2.607) 2.683 6.371 ( -3.337 0.000 -3.413) 4.773 6.447 ( 1.244 0.000 1.305) 1.803 6.575 ( 5.414 0.000 5.184) 7.496 6.698 ( -4.126 0.000 -5.842) 7.152 6.764 ( -2.987 0.000 -6.135) 6.823 6.805 ( -5.245 0.000 2.027) 5.623 6.907 ( -4.410 0.000 0.805) 4.482 6.920 ( 6.459 0.000 -1.142) 6.559 7.076 ( 2.894 0.000 7.842) 8.359 7.225 ( 0.789 0.000 -0.971) 1.251 7.249 ( 0.503 0.000 -3.525) 3.560 7.362 ( 2.429 0.000 -4.266) 4.909 7.429 ( 0.312 0.000 5.021) 5.031 7.717 ( -3.479 0.000 -2.451) 4.256 7.849 ( -3.831 0.000 -8.867) 9.660 7.955 ( 2.415 0.000 11.263) 11.519 8.099 ( -2.227 0.000 1.873) 2.909 8.105 ( 6.414 0.000 -2.970) 7.068 8.224 ( 2.483 0.000 0.971) 2.666 8.357 ( 2.035 0.000 0.053) 2.036 8.468 ( 0.548 0.000 2.734) 2.789 8.505 ( -0.489 0.000 0.991) 1.105 8.671 ( 2.651 0.000 -0.458) 2.691 8.780 ( -6.895 0.000 -5.707) 8.950 9.078 ( -0.362 0.000 3.876) 3.892 9.387 ( 2.241 0.000 2.260) 3.183 9.401 ( -3.432 0.000 -6.141) 7.035 9.535 ( 2.429 0.000 -0.513) 2.482 10.850 ( -5.259 0.000 -2.075) 5.653 10.884 ( 2.730 0.000 -0.166) 2.735 11.157 ( -1.222 0.000 2.137) 2.462 11.194 ( 0.289 0.000 1.505) 1.532 11.311 ( 4.402 0.000 2.396) 5.012 11.376 ( -9.121 0.000 -4.361) 10.110 11.473 ( 3.540 0.000 -0.698) 3.609 11.578 ( 3.924 0.000 -3.547) 5.290 13.836 ( 0.435 0.000 5.584) 5.601 13.913 ( -0.838 0.000 1.707) 1.902 14.036 ( 0.113 0.000 -0.905) 0.912 14.084 ( -5.334 0.000 -1.168) 5.461 14.085 ( -0.531 0.000 -1.897) 1.970 14.343 ( 0.527 0.000 -7.507) 7.525 14.524 ( 0.601 0.000 3.773) 3.821 14.649 ( -3.611 0.000 -3.098) 4.758 14.697 ( 4.305 0.000 1.620) 4.599 14.810 ( 1.093 0.000 -3.848) 4.000 15.510 ( 6.539 0.000 9.735) 11.728 15.628 ( -1.810 0.000 -1.081) 2.109 22.688 ( -2.783 0.000 0.429) 2.815 22.765 ( 0.134 0.000 -0.136) 0.191 23.231 ( 2.288 0.000 0.746) 2.406 23.313 ( 1.714 0.000 -1.524) 2.294 23.670 ( 0.527 0.000 -0.119) 0.541 23.682 ( 0.883 0.000 -0.256) 0.920 25.706 ( 4.252 0.000 3.809) 5.709 25.792 ( -7.710 0.000 -1.859) 7.931 26.129 ( 8.099 0.000 4.875) 9.453 26.148 ( -5.994 0.000 -0.501) 6.015 26.550 ( -9.741 0.000 -4.066) 10.555 26.759 ( 2.323 0.000 -2.801) 3.639 27.092 ( 0.018 0.000 -0.016) 0.024 27.103 ( 0.032 0.000 -0.222) 0.224 27.463 ( 7.259 0.000 8.686) 11.320 27.930 ( 3.005 0.000 -7.368) 7.957 28.155 ( -1.708 0.000 0.474) 1.772 28.262 ( -0.037 0.000 -3.010) 3.011 28.281 ( -3.213 0.000 0.365) 3.234 28.643 ( 2.810 0.000 -4.843) 5.599 28.769 ( -1.728 0.000 -6.495) 6.721 28.901 ( 0.687 0.000 -3.110) 3.185 29.266 ( -7.298 0.000 10.930) 13.142 29.640 ( 2.275 0.000 0.252) 2.289 31.968 ( 0.760 0.000 0.575) 0.953 31.993 ( -0.322 0.000 1.740) 1.769 32.049 ( 0.603 0.000 -1.652) 1.759 32.129 ( 0.112 0.000 -1.971) 1.974 35.007 ( -0.095 0.000 0.854) 0.860 35.065 ( 0.045 0.000 -0.655) 0.657 35.443 ( 0.603 0.000 1.776) 1.876 35.495 ( -0.529 0.000 -0.821) 0.977 39.196 ( 0.469 0.000 0.675) 0.822 39.241 ( 0.174 0.000 -0.766) 0.785 39.527 ( -1.660 0.000 1.195) 2.045 39.655 ( 0.968 0.000 -0.823) 1.271 46.825 ( -0.386 0.000 0.431) 0.579 46.865 ( 0.545 0.000 -0.132) 0.561 47.437 ( -0.459 0.000 0.337) 0.569 47.481 ( 0.552 0.000 -0.434) 0.702 63.821 ( 2.867 0.000 2.317) 3.686 63.986 ( 0.419 0.000 -3.021) 3.050 66.649 ( 2.553 0.000 11.072) 11.363 67.444 ( -10.419 0.000 -26.251) 28.244 85.189 ( -0.381 0.000 0.798) 0.884 85.309 ( -0.260 0.000 -3.132) 3.143 85.589 ( -4.527 0.000 2.627) 5.234 85.821 ( 4.567 0.000 0.858) 4.647 87.336 ( -1.444 0.000 -2.326) 2.738 87.349 ( -0.039 0.000 -3.630) 3.631 87.761 ( -10.654 0.000 11.907) 15.977 88.831 ( 19.697 0.000 -0.260) 19.699 ======================= Grid point 68 (26/90) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -19.691 0.000 23.226) 30.450 1.184 ( -27.256 0.000 7.582) 28.291 1.899 ( -33.479 0.000 -4.141) 33.734 2.114 ( 4.655 0.000 -7.837) 9.115 2.420 ( 11.474 0.000 12.061) 16.647 2.470 ( -1.061 0.000 3.861) 4.004 2.775 ( 18.908 0.000 -8.254) 20.631 2.901 ( -5.830 0.000 -13.313) 14.534 3.297 ( -6.080 0.000 3.379) 6.955 3.309 ( -1.475 0.000 8.100) 8.233 3.401 ( 17.348 0.000 5.824) 18.299 3.515 ( -3.749 0.000 -5.439) 6.606 3.600 ( 17.105 0.000 13.277) 21.653 3.658 ( 20.249 0.000 -11.692) 23.382 3.704 ( 8.882 0.000 -4.959) 10.172 3.951 ( 3.960 0.000 0.699) 4.021 4.112 ( 4.839 0.000 -0.131) 4.841 4.213 ( -0.357 0.000 1.236) 1.287 4.228 ( -1.562 0.000 -3.163) 3.528 4.333 ( -0.971 0.000 4.770) 4.868 4.527 ( -0.007 0.000 -0.870) 0.870 4.835 ( -4.561 0.000 -2.448) 5.176 4.838 ( -7.236 0.000 -9.666) 12.074 4.871 ( 4.282 0.000 -0.035) 4.282 5.022 ( -8.385 0.000 -1.643) 8.544 5.074 ( 0.586 0.000 3.867) 3.911 5.187 ( -1.702 0.000 -0.616) 1.810 5.193 ( 7.707 0.000 -7.869) 11.014 5.293 ( 4.314 0.000 -1.022) 4.433 5.329 ( -2.558 0.000 1.797) 3.127 5.424 ( -10.208 0.000 4.033) 10.975 5.498 ( -4.642 0.000 -4.153) 6.229 5.538 ( 3.074 0.000 -0.754) 3.165 5.605 ( -2.711 0.000 0.974) 2.881 5.842 ( 0.130 0.000 -0.302) 0.329 5.877 ( -3.683 0.000 -1.612) 4.020 5.947 ( -5.705 0.000 -1.101) 5.810 5.999 ( 8.861 0.000 8.128) 12.024 6.058 ( -5.953 0.000 5.158) 7.877 6.173 ( 1.394 0.000 -0.438) 1.461 6.187 ( 1.785 0.000 3.183) 3.650 6.267 ( -0.152 0.000 1.864) 1.870 6.305 ( -0.199 0.000 -1.445) 1.458 6.347 ( -2.422 0.000 4.303) 4.938 6.402 ( 2.917 0.000 0.615) 2.981 6.464 ( -11.269 0.000 -6.297) 12.909 6.570 ( 4.940 0.000 -0.809) 5.006 6.650 ( -2.538 0.000 5.552) 6.105 6.717 ( -2.474 0.000 2.907) 3.817 6.744 ( -4.474 0.000 -4.627) 6.436 6.859 ( 2.930 0.000 -0.901) 3.066 7.028 ( 4.658 0.000 1.768) 4.982 7.190 ( 4.364 0.000 3.435) 5.554 7.231 ( -0.499 0.000 -2.859) 2.903 7.325 ( 9.564 0.000 8.872) 13.045 7.387 ( 2.014 0.000 -2.180) 2.968 7.466 ( 0.712 0.000 5.934) 5.977 7.633 ( -4.131 0.000 -3.816) 5.624 7.728 ( -3.424 0.000 -12.282) 12.751 7.909 ( -5.850 0.000 3.620) 6.879 7.991 ( -5.898 0.000 -3.006) 6.620 8.125 ( -10.423 0.000 -2.139) 10.640 8.345 ( 14.343 0.000 1.253) 14.398 8.382 ( 0.847 0.000 -0.203) 0.871 8.521 ( -0.375 0.000 4.238) 4.255 8.587 ( -1.178 0.000 2.963) 3.189 8.632 ( 0.327 0.000 2.038) 2.064 8.802 ( 9.500 0.000 3.329) 10.066 9.105 ( 2.065 0.000 2.158) 2.986 9.275 ( -6.126 0.000 -10.026) 11.750 9.434 ( 2.524 0.000 -0.708) 2.622 9.556 ( 0.215 0.000 -2.104) 2.115 10.791 ( -0.273 0.000 0.427) 0.507 10.938 ( 0.494 0.000 0.926) 1.049 11.079 ( -6.730 0.000 0.354) 6.740 11.138 ( -5.782 0.000 1.145) 5.894 11.288 ( 3.369 0.000 -3.170) 4.626 11.425 ( 5.437 0.000 0.705) 5.482 11.545 ( 4.136 0.000 1.135) 4.288 11.581 ( -1.625 0.000 -5.067) 5.321 13.818 ( -3.680 0.000 2.668) 4.545 13.920 ( -2.019 0.000 5.548) 5.904 13.995 ( -3.489 0.000 -3.347) 4.835 14.008 ( -1.432 0.000 -0.499) 1.516 14.054 ( -0.980 0.000 -3.362) 3.502 14.357 ( 3.767 0.000 -3.244) 4.971 14.509 ( -2.764 0.000 1.291) 3.050 14.566 ( -4.234 0.000 -0.271) 4.243 14.781 ( -1.344 0.000 -7.983) 8.096 14.816 ( 6.749 0.000 2.199) 7.098 15.568 ( -3.753 0.000 -2.236) 4.369 15.667 ( 5.474 0.000 4.428) 7.041 22.619 ( -4.282 0.000 0.128) 4.284 22.752 ( -1.203 0.000 -0.215) 1.222 23.302 ( 4.566 0.000 0.379) 4.582 23.354 ( 3.234 0.000 -1.356) 3.507 23.686 ( 1.215 0.000 -0.043) 1.215 23.709 ( 2.047 0.000 -0.380) 2.082 25.657 ( -5.810 0.000 0.222) 5.814 25.824 ( 5.380 0.000 5.218) 7.495 25.983 ( -9.768 0.000 -2.666) 10.125 26.292 ( 6.973 0.000 4.636) 8.374 26.349 ( -9.774 0.000 -2.317) 10.044 26.767 ( -0.513 0.000 1.898) 1.966 27.093 ( 0.129 0.000 -0.140) 0.191 27.103 ( 0.135 0.000 -0.181) 0.226 27.571 ( -0.319 0.000 6.570) 6.577 27.795 ( -9.913 0.000 -37.888) 39.163 28.148 ( 1.499 0.000 0.918) 1.758 28.244 ( 0.064 0.000 -1.316) 1.318 28.330 ( 5.556 0.000 13.797) 14.874 28.685 ( 2.247 0.000 -4.428) 4.965 28.701 ( -2.316 0.000 -3.506) 4.202 28.917 ( 3.640 0.000 -2.942) 4.681 29.198 ( -5.671 0.000 9.438) 11.010 29.678 ( 0.924 0.000 2.429) 2.598 31.990 ( 0.191 0.000 1.082) 1.099 32.001 ( 1.338 0.000 1.102) 1.734 32.057 ( 1.049 0.000 -1.414) 1.761 32.118 ( -0.108 0.000 -2.354) 2.356 35.010 ( -0.036 0.000 0.778) 0.779 35.061 ( -0.186 0.000 -0.566) 0.596 35.469 ( 1.154 0.000 3.268) 3.466 35.485 ( -0.021 0.000 -1.119) 1.119 39.213 ( 0.905 0.000 0.708) 1.149 39.245 ( 0.656 0.000 -0.743) 0.991 39.489 ( -2.768 0.000 0.656) 2.845 39.660 ( 0.041 0.000 -0.749) 0.751 46.820 ( -0.329 0.000 0.362) 0.489 46.877 ( 0.753 0.000 0.108) 0.761 47.428 ( -0.580 0.000 0.276) 0.643 47.490 ( 0.622 0.000 -0.442) 0.763 63.908 ( 5.125 0.000 1.948) 5.483 63.974 ( 0.120 0.000 -3.790) 3.792 66.695 ( -5.199 0.000 15.673) 16.513 67.034 ( -17.968 0.000 -43.641) 47.196 85.182 ( -0.744 0.000 0.712) 1.030 85.270 ( -2.139 0.000 -2.292) 3.135 85.519 ( -3.575 0.000 0.009) 3.575 85.916 ( 4.831 0.000 2.594) 5.484 87.286 ( -2.535 0.000 -1.582) 2.988 87.316 ( -1.480 0.000 -3.611) 3.902 87.590 ( -11.814 0.000 6.719) 13.591 89.177 ( 17.095 0.000 -2.555) 17.285 ======================= Grid point 69 (27/90) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -19.349 0.000 18.388) 26.692 0.741 ( -25.170 0.000 19.657) 31.936 1.179 ( -39.666 0.000 28.439) 48.808 2.175 ( 6.917 0.000 -15.440) 16.919 2.495 ( 2.358 0.000 1.712) 2.914 2.535 ( -5.553 0.000 -10.262) 11.668 2.908 ( 13.992 0.000 -3.276) 14.370 3.084 ( 12.891 0.000 -3.397) 13.331 3.202 ( -3.309 0.000 1.065) 3.476 3.326 ( -2.147 0.000 -10.103) 10.329 3.506 ( 4.547 0.000 13.428) 14.177 3.618 ( 6.083 0.000 4.601) 7.627 3.900 ( 9.411 0.000 -1.622) 9.550 3.952 ( -1.066 0.000 5.625) 5.725 3.965 ( 14.616 0.000 -6.590) 16.033 4.031 ( 14.281 0.000 6.503) 15.692 4.112 ( -5.501 0.000 -0.583) 5.532 4.180 ( -2.983 0.000 -6.747) 7.377 4.221 ( 4.514 0.000 -6.238) 7.700 4.292 ( 1.216 0.000 2.521) 2.799 4.508 ( -3.577 0.000 -0.347) 3.594 4.708 ( -6.526 0.000 -0.695) 6.563 4.750 ( 5.615 0.000 -7.929) 9.715 4.810 ( -1.600 0.000 -2.788) 3.215 4.992 ( -1.340 0.000 6.484) 6.621 5.001 ( -4.384 0.000 2.521) 5.057 5.127 ( -11.702 0.000 2.111) 11.891 5.246 ( 3.000 0.000 0.681) 3.077 5.353 ( 4.317 0.000 0.386) 4.334 5.382 ( -2.206 0.000 -6.277) 6.653 5.390 ( 2.846 0.000 -0.487) 2.888 5.471 ( 11.708 0.000 0.006) 11.708 5.528 ( -7.434 0.000 1.621) 7.609 5.636 ( 0.309 0.000 -1.223) 1.261 5.687 ( -2.032 0.000 -1.967) 2.829 5.802 ( -3.916 0.000 0.110) 3.917 5.992 ( 2.736 0.000 -0.084) 2.737 5.993 ( -5.171 0.000 4.731) 7.009 6.124 ( -7.148 0.000 4.570) 8.484 6.158 ( 3.601 0.000 4.347) 5.645 6.162 ( -7.147 0.000 -1.184) 7.244 6.220 ( -2.052 0.000 -2.755) 3.436 6.285 ( -1.465 0.000 8.022) 8.154 6.350 ( 3.232 0.000 -1.605) 3.608 6.351 ( 4.318 0.000 -6.554) 7.849 6.450 ( 0.276 0.000 1.403) 1.430 6.569 ( -6.044 0.000 5.077) 7.894 6.616 ( 1.249 0.000 -1.427) 1.896 6.650 ( -2.786 0.000 -2.289) 3.606 6.732 ( 0.834 0.000 2.686) 2.812 6.932 ( 4.019 0.000 0.424) 4.041 7.075 ( -0.602 0.000 -2.943) 3.004 7.231 ( 2.674 0.000 -5.092) 5.751 7.258 ( 0.580 0.000 0.347) 0.676 7.393 ( -0.187 0.000 -1.144) 1.159 7.500 ( 1.701 0.000 -4.040) 4.384 7.501 ( -0.700 0.000 3.829) 3.893 7.587 ( -1.147 0.000 -0.488) 1.247 7.663 ( 5.044 0.000 3.309) 6.032 7.835 ( -3.385 0.000 3.053) 4.559 7.904 ( -10.944 0.000 0.308) 10.948 7.998 ( 12.144 0.000 8.049) 14.569 8.382 ( -0.161 0.000 -2.568) 2.573 8.455 ( -5.836 0.000 0.289) 5.843 8.526 ( -1.606 0.000 5.135) 5.381 8.585 ( 9.446 0.000 0.701) 9.472 8.734 ( 1.165 0.000 5.267) 5.394 8.988 ( 3.849 0.000 4.269) 5.748 9.065 ( -8.949 0.000 -12.250) 15.171 9.160 ( 2.631 0.000 1.054) 2.834 9.480 ( 3.241 0.000 -2.576) 4.140 9.506 ( -3.801 0.000 -7.431) 8.347 10.833 ( -7.984 0.000 -0.251) 7.988 10.837 ( 2.959 0.000 3.907) 4.901 10.945 ( -6.327 0.000 -1.100) 6.422 11.196 ( 8.246 0.000 2.494) 8.615 11.364 ( 4.446 0.000 -0.152) 4.449 11.471 ( -6.727 0.000 -5.452) 8.659 11.501 ( 3.186 0.000 0.248) 3.195 11.618 ( 2.429 0.000 1.017) 2.634 13.760 ( -3.205 0.000 1.404) 3.499 13.874 ( -4.365 0.000 2.189) 4.883 13.905 ( -3.441 0.000 -6.658) 7.494 13.990 ( -5.660 0.000 -7.536) 9.425 14.015 ( 0.439 0.000 2.307) 2.349 14.423 ( 2.981 0.000 -1.856) 3.511 14.462 ( -2.330 0.000 0.678) 2.427 14.496 ( -3.517 0.000 -0.302) 3.530 14.652 ( -8.028 0.000 -12.116) 14.535 14.940 ( 5.362 0.000 0.313) 5.371 15.479 ( -3.973 0.000 -2.824) 4.875 15.651 ( -9.992 0.000 -13.506) 16.800 22.551 ( -2.836 0.000 -0.080) 2.837 22.705 ( -4.293 0.000 -5.019) 6.604 23.383 ( 3.644 0.000 0.159) 3.647 23.406 ( 2.690 0.000 -0.460) 2.729 23.709 ( 1.186 0.000 0.337) 1.233 23.746 ( 2.013 0.000 -0.617) 2.106 25.626 ( 2.771 0.000 5.472) 6.133 25.770 ( -7.376 0.000 -2.332) 7.736 25.984 ( 5.330 0.000 4.648) 7.072 26.176 ( -7.866 0.000 -0.796) 7.906 26.409 ( 3.081 0.000 -3.045) 4.332 26.781 ( -6.382 0.000 -10.167) 12.004 27.053 ( -25.959 0.000 -27.024) 37.472 27.105 ( 0.163 0.000 -0.232) 0.284 27.115 ( -11.937 0.000 -11.229) 16.389 27.535 ( -4.751 0.000 2.033) 5.168 28.208 ( 3.196 0.000 1.553) 3.553 28.253 ( 1.536 0.000 -1.422) 2.094 28.521 ( 1.193 0.000 6.987) 7.088 28.664 ( -1.387 0.000 -3.368) 3.643 28.803 ( 19.899 0.000 18.458) 27.141 29.007 ( 6.520 0.000 -2.454) 6.967 29.160 ( -1.989 0.000 11.752) 11.919 29.687 ( -1.789 0.000 3.278) 3.735 31.991 ( -0.471 0.000 1.358) 1.437 32.037 ( 1.582 0.000 0.526) 1.667 32.071 ( 1.093 0.000 -0.806) 1.358 32.099 ( -0.717 0.000 -2.402) 2.507 35.012 ( -0.148 0.000 0.548) 0.567 35.054 ( -0.201 0.000 -0.487) 0.526 35.485 ( 0.630 0.000 -0.753) 0.982 35.526 ( 3.083 0.000 3.553) 4.704 39.230 ( 0.565 0.000 0.448) 0.721 39.256 ( 0.865 0.000 -0.547) 1.023 39.442 ( -2.205 0.000 0.264) 2.221 39.635 ( -2.990 0.000 -4.958) 5.790 46.817 ( -0.173 0.000 0.435) 0.468 46.891 ( 0.602 0.000 -0.446) 0.749 47.421 ( -0.289 0.000 0.582) 0.649 47.497 ( 0.417 0.000 -0.622) 0.749 63.958 ( 0.689 0.000 -3.452) 3.520 64.009 ( 4.519 0.000 0.514) 4.548 66.287 ( -36.772 0.000 -37.517) 52.533 66.605 ( -12.176 0.000 13.730) 18.351 85.172 ( -0.659 0.000 0.517) 0.838 85.224 ( -1.436 0.000 -1.424) 2.023 85.471 ( -0.997 0.000 -0.581) 1.154 86.008 ( 3.162 0.000 -1.033) 3.326 87.241 ( -1.496 0.000 -0.425) 1.556 87.272 ( -0.881 0.000 -3.343) 3.457 87.434 ( -7.129 0.000 3.296) 7.854 89.147 ( -26.085 0.000 -57.049) 62.730 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.011 23.298 20.638) 31.124 0.988 ( 0.932 30.108 17.078) 34.627 1.683 ( 3.703 49.404 28.586) 57.198 2.249 ( -2.118 11.238 -15.993) 19.661 2.390 ( -2.616 3.812 -18.350) 18.923 2.714 ( 7.282 9.277 -3.798) 12.390 3.023 ( -12.300 -0.471 -10.898) 16.440 3.135 ( -3.301 2.283 3.202) 5.134 3.254 ( 3.393 5.170 -8.342) 10.384 3.359 ( 3.120 5.626 7.591) 9.951 3.529 ( -2.075 -0.313 -0.321) 2.123 3.675 ( -3.445 -2.515 1.178) 4.426 3.835 ( 1.408 -1.016 2.670) 3.184 3.924 ( 3.614 -2.659 10.765) 11.663 4.001 ( 1.018 -4.948 -1.150) 5.181 4.136 ( 4.449 -1.138 1.008) 4.702 4.149 ( 2.278 -1.567 -1.865) 3.335 4.188 ( -1.757 -5.838 -2.684) 6.661 4.265 ( -5.098 4.239 -4.477) 8.000 4.354 ( 6.019 3.527 -1.030) 7.052 4.536 ( -4.246 2.448 -0.604) 4.938 4.639 ( -1.363 1.358 -1.601) 2.503 4.690 ( -0.188 -5.468 4.892) 7.340 4.796 ( 9.572 -6.483 -3.034) 11.953 4.908 ( -8.679 -4.271 2.509) 9.993 5.007 ( 5.128 -6.153 6.255) 10.163 5.050 ( 4.129 0.426 -4.539) 6.150 5.255 ( -9.241 -3.217 1.427) 9.889 5.298 ( -0.057 -4.181 -2.808) 5.037 5.385 ( 0.007 0.952 -2.509) 2.684 5.438 ( 3.427 1.592 1.343) 4.010 5.510 ( -1.423 6.368 -1.840) 6.780 5.523 ( 2.537 1.503 0.037) 2.949 5.710 ( 2.287 1.712 -4.121) 5.014 5.761 ( -4.892 3.120 3.161) 6.608 5.813 ( -3.307 1.601 5.140) 6.318 5.847 ( 4.376 3.387 0.769) 5.587 5.960 ( 1.170 -0.632 -2.620) 2.938 6.014 ( -5.022 5.710 2.117) 7.893 6.101 ( 0.905 -6.518 1.148) 6.680 6.199 ( -3.335 6.722 -1.569) 7.666 6.244 ( -0.534 -0.729 1.422) 1.685 6.294 ( -0.653 0.560 1.516) 1.743 6.368 ( 3.149 -2.244 -0.231) 3.873 6.441 ( -5.511 0.465 -0.857) 5.597 6.518 ( -1.431 5.888 1.349) 6.208 6.583 ( 2.726 -1.960 2.528) 4.203 6.649 ( 5.494 1.641 -1.513) 5.930 6.684 ( 0.003 6.877 -0.901) 6.936 6.791 ( -1.791 4.169 -2.576) 5.218 6.928 ( -2.535 -2.129 -6.640) 7.419 7.013 ( 0.896 -0.966 -1.741) 2.183 7.143 ( -3.743 -4.090 -8.335) 10.011 7.195 ( -2.214 -1.746 -3.937) 4.843 7.403 ( -4.473 -6.279 3.994) 8.682 7.472 ( 3.631 0.600 2.111) 4.243 7.532 ( -6.711 -1.094 -1.582) 6.982 7.610 ( 3.633 -0.318 -3.071) 4.768 7.664 ( 6.186 1.766 2.808) 7.019 7.750 ( 1.373 0.206 1.176) 1.820 7.871 ( 5.606 3.122 6.533) 9.157 8.267 ( -2.597 -6.005 -4.386) 7.877 8.363 ( -1.493 -2.984 0.050) 3.337 8.434 ( -5.339 -0.565 -0.217) 5.373 8.461 ( -1.612 -1.518 3.165) 3.863 8.625 ( -4.096 -0.055 5.590) 6.931 8.740 ( 3.640 -2.568 -2.447) 5.083 8.809 ( 14.038 -1.790 -1.113) 14.195 9.077 ( -4.226 -0.749 5.157) 6.709 9.189 ( 1.652 -3.063 4.603) 5.770 9.292 ( 2.401 -3.566 6.582) 7.862 9.509 ( 1.861 -2.216 -2.736) 3.983 10.776 ( 0.937 2.283 0.387) 2.498 10.853 ( -2.742 3.051 -2.070) 4.595 10.959 ( 4.064 2.231 3.594) 5.866 11.221 ( -4.134 -1.372 -4.610) 6.342 11.401 ( 1.836 -4.418 2.332) 5.323 11.564 ( -2.655 3.048 1.009) 4.167 11.574 ( -1.819 -2.460 -1.818) 3.559 11.958 ( 1.306 13.714 -20.453) 24.659 13.659 ( 6.505 1.528 1.311) 6.809 13.750 ( -1.190 0.581 -1.955) 2.361 13.810 ( -5.234 1.333 -1.793) 5.691 13.863 ( 1.097 -0.563 -3.641) 3.844 14.059 ( 0.615 2.612 2.747) 3.841 14.229 ( -0.807 -3.058 2.967) 4.337 14.471 ( -1.136 1.243 1.165) 2.048 14.486 ( 2.725 1.075 0.396) 2.956 14.606 ( 3.301 -0.303 2.852) 4.373 14.989 ( -4.365 -1.131 -4.555) 6.409 15.220 ( -5.385 -2.857 4.091) 7.341 15.411 ( 2.668 -3.067 -1.227) 4.246 22.546 ( -0.975 2.312 0.175) 2.515 22.557 ( -0.202 2.780 -0.111) 2.790 23.350 ( 0.213 -5.306 0.630) 5.348 23.405 ( -0.307 -4.170 -0.829) 4.263 23.825 ( -0.232 9.341 1.133) 9.412 24.087 ( -0.655 16.998 -13.027) 21.426 25.529 ( -12.217 -8.844 7.759) 16.960 25.661 ( 5.636 -6.458 1.213) 8.657 25.754 ( 6.211 -2.658 2.445) 7.185 25.993 ( -9.116 -2.527 -6.864) 11.688 26.236 ( 2.704 -1.118 1.356) 3.225 26.417 ( 0.641 -2.902 -2.873) 4.133 27.002 ( 2.675 -1.838 5.176) 6.110 27.123 ( 0.409 1.986 -0.798) 2.179 27.383 ( -1.675 -3.389 -0.871) 3.879 27.439 ( 7.243 2.457 -4.159) 8.706 28.212 ( 1.309 -1.612 3.453) 4.029 28.310 ( 0.835 2.179 0.711) 2.439 28.459 ( -2.196 2.406 3.562) 4.828 28.655 ( 1.024 1.287 -6.638) 6.839 28.995 ( -1.627 -1.622 3.705) 4.360 29.141 ( 0.078 2.719 -0.685) 2.805 29.622 ( -3.884 -1.764 0.898) 4.359 29.684 ( 16.279 -2.836 -0.293) 16.526 31.986 ( -0.426 -0.305 1.148) 1.262 32.040 ( -0.470 -1.304 -0.245) 1.407 32.099 ( 0.737 0.538 -0.568) 1.074 32.106 ( 0.922 1.394 -1.043) 1.970 35.043 ( -0.119 2.886 0.670) 2.965 35.173 ( 1.768 5.736 -6.148) 8.593 35.462 ( -4.584 -2.884 2.612) 6.013 35.486 ( 0.784 -1.278 0.149) 1.506 39.236 ( -0.324 0.171 0.432) 0.566 39.282 ( 0.632 1.205 -0.882) 1.622 39.414 ( -0.146 -0.973 0.613) 1.159 39.440 ( -2.549 -0.710 0.236) 2.657 46.834 ( -0.018 1.574 0.621) 1.693 46.886 ( -0.500 1.744 -0.447) 1.869 47.396 ( -0.033 -2.581 1.073) 2.795 47.505 ( -0.079 -1.531 -2.588) 3.008 64.175 ( -0.128 15.928 2.634) 16.145 65.059 ( -18.841 42.492 -48.686) 67.312 66.413 ( -14.639 -0.823 4.159) 15.240 66.681 ( 75.095 -6.180 2.528) 75.391 85.167 ( -0.234 0.146 0.357) 0.451 85.231 ( 2.223 0.999 -2.518) 3.504 85.470 ( -0.659 -2.793 2.237) 3.639 85.499 ( -17.190 -7.358 5.349) 19.448 87.226 ( -2.466 1.216 -0.184) 2.756 87.294 ( 3.549 1.274 -0.220) 3.777 87.332 ( 2.559 -0.162 3.669) 4.476 87.806 ( -24.115 11.388 -19.608) 33.101 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 1.634 19.811 23.116) 30.488 1.130 ( 10.181 17.056 22.839) 30.269 2.023 ( -7.161 12.801 -20.143) 24.918 2.222 ( 27.301 36.345 21.505) 50.287 2.302 ( 3.861 7.775 -14.888) 17.234 2.618 ( -21.892 2.612 -12.388) 25.289 2.826 ( 2.564 8.479 4.769) 10.060 3.003 ( -5.621 3.309 -1.876) 6.787 3.320 ( 3.867 1.240 -4.427) 6.008 3.401 ( -3.748 -2.328 7.344) 8.568 3.505 ( -0.570 2.099 -0.852) 2.336 3.603 ( -1.304 7.598 0.417) 7.720 3.858 ( -12.859 -4.450 -3.647) 14.088 3.878 ( -2.891 -1.828 1.571) 3.764 3.991 ( -10.701 -1.675 -0.335) 10.836 4.025 ( -6.499 -1.287 -5.957) 8.910 4.086 ( -3.146 -0.998 -1.842) 3.780 4.168 ( -5.032 4.103 4.119) 7.689 4.207 ( 1.996 0.895 1.003) 2.406 4.384 ( -4.472 -5.893 2.574) 7.832 4.523 ( 6.154 -4.656 -3.439) 8.448 4.651 ( -0.569 0.770 1.293) 1.609 4.728 ( 5.304 1.214 0.128) 5.443 4.850 ( 4.208 -2.839 1.634) 5.333 4.912 ( 0.887 -0.126 0.981) 1.329 5.077 ( 3.533 -6.748 0.744) 7.654 5.116 ( -1.779 -3.143 0.696) 3.678 5.188 ( 3.580 -3.918 -0.741) 5.358 5.305 ( -1.024 -4.250 -2.895) 5.244 5.353 ( 5.112 3.980 1.209) 6.591 5.453 ( 2.118 -1.446 -5.658) 6.212 5.557 ( 3.285 7.021 -0.182) 7.753 5.627 ( -3.365 6.553 0.381) 7.376 5.688 ( 5.097 -0.869 -1.694) 5.441 5.714 ( -1.223 0.950 -3.449) 3.781 5.781 ( -4.974 4.152 3.116) 7.190 5.885 ( -0.454 2.431 2.448) 3.480 5.997 ( 6.922 -1.303 4.805) 8.526 6.013 ( 1.450 5.311 -1.256) 5.647 6.109 ( -1.538 -7.595 3.635) 8.559 6.171 ( -2.305 2.030 0.123) 3.074 6.213 ( -1.288 2.032 2.618) 3.556 6.268 ( 2.728 1.018 -1.096) 3.111 6.351 ( -2.031 1.595 -1.001) 2.769 6.441 ( 3.705 0.918 1.130) 3.980 6.520 ( -0.829 0.933 -0.690) 1.426 6.597 ( -4.207 -3.625 0.224) 5.558 6.686 ( -0.232 1.009 2.523) 2.727 6.750 ( 4.001 1.076 2.863) 5.036 6.787 ( 2.758 10.508 -1.295) 10.941 6.891 ( 2.098 -1.058 -5.210) 5.716 6.992 ( -2.449 -6.004 -6.636) 9.278 7.079 ( 1.434 1.943 3.271) 4.065 7.128 ( -1.519 -2.234 -6.061) 6.636 7.295 ( -7.360 -1.821 0.289) 7.587 7.403 ( -4.333 0.869 1.603) 4.702 7.450 ( -2.197 0.988 -0.041) 2.409 7.701 ( 4.947 -0.064 -2.409) 5.503 7.823 ( 5.756 0.092 -0.226) 5.762 7.862 ( 6.708 -3.271 1.640) 7.641 7.948 ( -0.247 1.411 2.645) 3.008 8.198 ( -2.516 -2.719 -1.200) 3.894 8.309 ( -7.399 0.079 2.523) 7.818 8.388 ( 0.883 -2.279 -0.670) 2.534 8.455 ( 4.393 1.500 2.715) 5.378 8.504 ( -5.291 1.886 -0.865) 5.683 8.748 ( -2.647 -0.881 -0.771) 2.894 8.956 ( -6.480 -3.048 4.417) 8.414 9.112 ( 3.602 -5.213 1.242) 6.457 9.221 ( 5.248 -5.458 -1.725) 7.765 9.424 ( 4.241 -3.366 4.151) 6.822 9.530 ( 2.077 -2.077 -3.253) 4.383 10.829 ( 0.728 1.922 -0.227) 2.068 10.880 ( 8.945 2.370 1.061) 9.314 11.070 ( 5.280 0.285 4.380) 6.866 11.095 ( -6.013 0.650 -7.108) 9.333 11.367 ( -8.109 -1.350 2.670) 8.644 11.472 ( -2.958 0.226 0.441) 2.999 11.482 ( -5.602 -1.551 -2.346) 6.269 11.845 ( -1.190 11.454 -4.813) 12.481 13.668 ( -0.977 -2.910 -0.925) 3.206 13.737 ( -0.192 -1.792 -1.531) 2.364 13.874 ( 1.562 -3.497 -1.908) 4.279 13.992 ( 11.954 1.376 -4.360) 12.799 14.106 ( 2.888 3.400 3.013) 5.383 14.302 ( 7.310 -4.910 -3.397) 9.438 14.467 ( 0.199 1.624 0.043) 1.637 14.554 ( 4.924 2.088 0.053) 5.349 14.695 ( 1.739 -4.299 1.740) 4.953 14.857 ( -4.916 -0.320 -3.332) 5.948 15.195 ( -0.158 -2.939 2.299) 3.735 15.484 ( 4.612 -3.343 -1.155) 5.812 22.575 ( 3.109 1.779 0.077) 3.583 22.615 ( 5.739 2.952 -1.168) 6.559 23.329 ( -2.890 -5.177 0.733) 5.974 23.362 ( -3.242 -3.810 -0.725) 5.055 23.814 ( -1.361 10.043 1.329) 10.221 23.971 ( -4.411 15.849 -6.049) 17.528 25.484 ( 2.306 -5.226 4.398) 7.209 25.788 ( -3.720 -0.394 -2.539) 4.521 25.815 ( 8.953 -7.747 2.157) 12.034 26.000 ( 10.393 -10.944 -0.139) 15.093 26.244 ( -3.111 -2.468 -0.565) 4.011 26.487 ( 8.890 -1.475 -3.083) 9.525 27.062 ( 1.499 -2.562 1.665) 3.404 27.133 ( 0.997 2.584 -0.376) 2.795 27.336 ( -1.480 -3.093 -3.714) 5.055 27.609 ( 10.164 -4.137 -4.333) 11.798 28.217 ( -1.678 0.849 1.097) 2.177 28.331 ( 0.503 1.018 1.006) 1.517 28.438 ( -1.720 2.110 3.122) 4.142 28.666 ( 3.396 -1.236 -4.694) 5.924 28.939 ( -4.779 -0.484 1.266) 4.968 29.130 ( -2.863 4.003 -0.041) 4.922 29.547 ( -2.403 -2.895 -2.524) 4.531 29.751 ( -7.608 -1.759 6.074) 9.893 31.982 ( -0.451 -0.319 1.067) 1.201 32.019 ( -1.636 -1.167 0.282) 2.029 32.094 ( -0.615 1.156 -0.882) 1.579 32.123 ( 0.976 -0.331 -1.338) 1.689 35.042 ( -0.401 2.790 0.717) 2.909 35.146 ( -1.216 5.817 -3.554) 6.924 35.405 ( -1.776 -0.530 2.066) 2.776 35.500 ( 0.393 -1.406 0.739) 1.636 39.223 ( -1.117 0.237 0.316) 1.185 39.277 ( -0.400 1.362 -0.542) 1.519 39.439 ( 2.189 -1.412 0.928) 2.765 39.476 ( 4.755 -0.789 -1.417) 5.024 46.839 ( 0.081 1.531 0.771) 1.716 46.880 ( 0.061 2.059 -0.678) 2.168 47.401 ( 0.036 -2.580 1.139) 2.820 47.480 ( -0.972 -1.593 -1.687) 2.516 64.103 ( -7.879 15.398 3.081) 17.569 64.596 ( -11.846 40.576 -17.601) 45.788 66.256 ( -2.185 -4.924 -1.454) 5.580 67.624 ( 24.877 -29.192 -11.392) 40.010 85.168 ( 0.321 0.208 0.327) 0.503 85.252 ( 1.174 1.197 -1.710) 2.394 85.440 ( 10.297 -2.493 -4.034) 11.336 85.566 ( 4.001 -2.672 5.224) 7.102 87.228 ( 2.793 0.607 -1.482) 3.220 87.389 ( 2.549 1.960 2.897) 4.328 87.471 ( 7.468 -1.266 8.446) 11.345 87.664 ( 17.101 7.017 -23.583) 29.964 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 7.971 16.732 19.442) 26.860 1.520 ( 16.035 7.095 18.754) 25.675 1.795 ( -3.304 10.777 -11.824) 16.336 2.102 ( -23.735 9.990 -0.717) 25.762 2.342 ( 8.614 3.287 -21.398) 23.300 2.751 ( -2.795 6.065 6.280) 9.167 2.865 ( 4.518 3.663 6.049) 8.392 2.995 ( 8.157 13.198 5.550) 16.478 3.290 ( -5.009 6.692 -1.500) 8.493 3.353 ( -2.397 1.073 0.621) 2.699 3.402 ( -20.971 -0.079 -0.808) 20.986 3.502 ( 3.861 1.796 -5.238) 6.751 3.667 ( 1.106 6.767 4.804) 8.372 3.815 ( -5.029 -3.177 -5.200) 7.901 3.849 ( -3.402 -2.454 -3.458) 5.436 3.908 ( -6.591 -3.246 2.024) 7.620 3.965 ( -12.639 2.203 -0.712) 12.849 4.124 ( 3.619 1.018 -0.162) 3.763 4.158 ( 3.695 8.626 0.130) 9.385 4.434 ( -2.907 -0.798 7.304) 7.902 4.552 ( 0.761 -1.609 1.779) 2.517 4.675 ( 1.555 -4.398 -2.938) 5.513 4.766 ( 1.592 0.180 -7.239) 7.414 4.908 ( 0.886 -4.314 1.863) 4.781 4.958 ( 2.618 -0.357 -2.806) 3.854 5.111 ( 1.625 -0.154 1.089) 1.962 5.183 ( 0.282 -0.602 -2.998) 3.071 5.215 ( 1.799 -0.901 2.493) 3.204 5.297 ( 5.580 -2.599 -5.208) 8.063 5.403 ( -0.703 2.088 -5.208) 5.655 5.522 ( -1.806 -0.132 2.436) 3.036 5.540 ( -4.376 3.402 -2.134) 5.939 5.603 ( 8.396 0.963 3.308) 9.075 5.688 ( -0.811 1.605 -3.899) 4.294 5.704 ( 3.312 4.016 1.434) 5.399 5.747 ( -0.093 4.831 0.577) 4.867 5.897 ( 0.738 2.336 4.193) 4.856 6.034 ( -0.407 -6.015 -0.114) 6.030 6.114 ( -1.831 -2.071 0.512) 2.812 6.143 ( 1.379 2.489 3.737) 4.697 6.174 ( 8.140 -0.080 0.018) 8.140 6.223 ( -0.912 0.358 6.849) 6.919 6.291 ( 1.948 -0.560 -0.082) 2.029 6.390 ( 0.126 2.511 -1.066) 2.731 6.456 ( -5.666 -0.734 -1.882) 6.015 6.486 ( -3.092 -1.957 1.016) 3.798 6.544 ( 6.111 2.824 -2.831) 7.304 6.646 ( -2.847 1.257 0.397) 3.138 6.810 ( -0.359 -1.124 1.505) 1.913 6.841 ( 3.178 4.779 1.242) 5.872 6.909 ( 1.377 -1.937 0.640) 2.461 6.954 ( -0.278 1.196 -1.385) 1.851 7.096 ( -3.335 -1.702 2.851) 4.706 7.142 ( 5.511 -1.455 -1.346) 5.856 7.245 ( 1.933 -2.309 0.294) 3.025 7.328 ( -4.038 -0.223 -1.989) 4.506 7.445 ( 0.259 3.245 1.719) 3.681 7.738 ( -0.441 -0.322 -1.184) 1.304 7.852 ( -1.732 0.334 0.640) 1.877 7.871 ( -0.579 -3.662 -4.211) 5.611 8.036 ( 8.127 0.475 -2.963) 8.664 8.142 ( -6.587 1.471 -2.332) 7.141 8.195 ( -0.033 -1.179 3.582) 3.771 8.338 ( -5.662 3.656 -3.894) 7.784 8.448 ( 2.220 -2.855 1.882) 4.077 8.618 ( -2.668 -3.754 2.670) 5.324 8.694 ( 2.075 -2.940 3.001) 4.685 8.875 ( -2.095 0.020 4.586) 5.042 9.091 ( -4.009 -2.680 0.935) 4.912 9.282 ( 1.160 -4.320 -1.276) 4.651 9.470 ( 0.155 -1.346 -0.728) 1.538 9.550 ( 2.643 3.645 -3.911) 5.964 10.867 ( 1.900 0.222 2.209) 2.922 10.971 ( -1.565 2.006 -2.964) 3.906 11.069 ( 8.373 -0.278 -0.537) 8.395 11.157 ( 0.126 -0.681 1.701) 1.837 11.254 ( -4.026 -1.648 2.703) 5.122 11.369 ( -4.001 -1.759 -1.666) 4.677 11.452 ( -1.010 -1.702 2.012) 2.822 11.789 ( -3.525 8.282 -4.676) 10.143 13.687 ( 2.815 -2.715 0.969) 4.029 13.772 ( 3.852 -5.707 -0.487) 6.902 13.879 ( -0.106 -6.269 -0.658) 6.304 14.094 ( 2.664 1.805 -1.105) 3.403 14.186 ( 3.712 4.263 2.549) 6.200 14.392 ( 3.716 -3.479 -3.562) 6.213 14.467 ( -0.443 1.631 -1.699) 2.396 14.647 ( -2.359 -3.504 -4.760) 6.363 14.661 ( 6.407 1.550 -0.943) 6.659 14.813 ( -1.662 0.013 0.909) 1.895 15.217 ( 0.774 -5.966 3.525) 6.972 15.544 ( 2.419 -5.310 -0.797) 5.890 22.645 ( 3.909 1.225 0.711) 4.158 22.715 ( 5.422 3.470 -1.492) 6.608 23.261 ( -4.438 -4.042 0.622) 6.035 23.299 ( -2.958 -3.851 -0.775) 4.917 23.794 ( -1.482 10.178 1.311) 10.368 23.886 ( -2.548 13.677 -2.836) 14.198 25.544 ( 0.681 -8.506 1.071) 8.600 25.758 ( 3.488 -0.485 0.903) 3.635 25.965 ( 3.464 -7.458 -0.902) 8.272 26.178 ( -2.375 -1.709 0.086) 2.927 26.199 ( 10.085 -13.842 3.015) 17.390 26.658 ( 10.259 -2.117 -2.622) 10.798 27.082 ( 0.233 -1.271 0.857) 1.550 27.161 ( 2.246 3.853 0.958) 4.561 27.286 ( -1.592 -0.721 -5.493) 5.764 27.729 ( 5.185 -6.147 -3.246) 8.673 28.194 ( -0.575 1.905 0.362) 2.022 28.316 ( -1.671 -1.083 -1.890) 2.746 28.432 ( -0.969 4.678 3.721) 6.055 28.713 ( 2.241 -1.846 -1.912) 3.476 28.856 ( -3.690 -0.957 -1.446) 4.077 29.029 ( -5.566 5.575 -4.077) 8.870 29.521 ( -1.833 -2.511 1.643) 3.516 29.603 ( -8.639 3.425 6.185) 11.164 31.981 ( -0.467 -0.389 1.056) 1.219 31.987 ( -1.742 -0.923 0.625) 2.068 32.076 ( -0.677 0.991 -1.138) 1.654 32.128 ( 0.426 -0.658 -1.490) 1.684 35.037 ( -0.453 2.677 0.822) 2.837 35.117 ( -0.555 4.495 -1.438) 4.752 35.404 ( 0.373 -0.478 0.866) 1.057 35.504 ( -0.292 -1.380 0.570) 1.522 39.205 ( -0.903 0.438 0.349) 1.062 39.268 ( -0.317 1.371 -0.549) 1.510 39.485 ( 1.872 -1.712 1.511) 2.953 39.555 ( 4.289 -1.563 -1.950) 4.964 46.843 ( -0.029 1.512 0.801) 1.712 46.879 ( 0.188 2.078 -0.687) 2.197 47.407 ( 0.014 -2.686 0.938) 2.845 47.460 ( -0.463 -2.011 -1.100) 2.338 63.978 ( -6.383 14.507 3.184) 16.166 64.399 ( -3.830 32.356 -9.046) 33.815 66.298 ( 6.274 -6.404 -1.238) 9.051 67.719 ( -3.178 -20.980 -7.917) 22.648 85.180 ( 0.566 0.287 0.506) 0.811 85.281 ( 2.618 0.844 -2.106) 3.464 85.601 ( 7.549 -3.451 -3.354) 8.952 85.640 ( 1.326 -2.195 4.258) 4.971 87.281 ( 3.456 -0.390 -2.061) 4.042 87.415 ( 1.154 4.230 -1.799) 4.739 87.654 ( 5.045 -4.196 14.496) 15.912 87.977 ( 23.921 -7.817 -18.472) 31.218 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 14.115 11.603 13.051) 22.454 1.648 ( -18.336 11.378 6.950) 22.671 1.683 ( 0.731 13.562 2.412) 13.795 1.998 ( 7.997 2.040 12.643) 15.099 2.389 ( 3.025 -3.988 -18.184) 18.861 2.680 ( 1.932 -0.725 2.256) 3.057 2.783 ( -6.908 3.053 -3.259) 8.226 2.974 ( -6.795 -3.878 0.358) 7.832 3.082 ( -4.932 7.857 -4.627) 10.367 3.332 ( -3.246 5.716 -3.584) 7.487 3.352 ( 1.474 1.246 -1.541) 2.470 3.593 ( -2.463 -2.622 -0.577) 3.644 3.610 ( -5.350 4.550 -1.437) 7.169 3.705 ( 3.261 6.968 3.512) 8.458 3.786 ( -4.601 -0.795 1.642) 4.949 3.883 ( 0.929 9.379 2.934) 9.871 3.914 ( 1.960 -2.293 1.617) 3.423 4.187 ( 3.510 2.856 2.256) 5.056 4.288 ( 4.626 5.942 -5.429) 9.283 4.315 ( -4.043 7.119 1.181) 8.272 4.572 ( -8.454 -4.366 0.335) 9.521 4.643 ( 1.928 3.038 -3.662) 5.134 4.811 ( 9.460 -4.126 -3.949) 11.051 4.908 ( 0.545 -1.279 -1.990) 2.428 4.982 ( 2.799 0.400 0.924) 2.975 5.089 ( -5.171 2.666 2.513) 6.337 5.157 ( -4.691 -1.366 0.777) 4.947 5.221 ( 4.103 2.495 -0.781) 4.865 5.364 ( 5.042 0.918 -2.949) 5.913 5.426 ( -1.295 -0.096 -2.794) 3.081 5.453 ( -4.232 -3.150 2.130) 5.690 5.486 ( 3.663 -0.120 -5.168) 6.335 5.706 ( 4.553 0.895 -0.598) 4.679 5.757 ( 3.840 5.684 -0.124) 6.861 5.781 ( 2.743 -0.212 0.681) 2.834 5.853 ( 5.962 1.759 4.180) 7.491 5.928 ( 0.340 2.628 4.184) 4.953 5.959 ( -9.370 0.643 2.752) 9.787 6.087 ( -0.820 3.395 0.428) 3.519 6.140 ( -2.517 0.219 3.584) 4.385 6.198 ( 2.621 -3.573 0.813) 4.505 6.335 ( 1.463 0.918 0.795) 1.902 6.342 ( 2.611 -0.949 -0.138) 2.781 6.354 ( 0.210 0.630 1.774) 1.894 6.407 ( 0.917 -1.574 -0.251) 1.839 6.433 ( -5.496 0.905 1.647) 5.808 6.503 ( -0.589 0.230 1.728) 1.840 6.679 ( -0.794 -1.683 -6.683) 6.938 6.818 ( 3.953 0.368 0.622) 4.018 6.859 ( -2.540 0.278 2.856) 3.832 6.911 ( -1.793 -1.807 -1.709) 3.067 6.959 ( -3.916 -1.451 0.402) 4.195 7.044 ( 0.884 0.183 0.880) 1.260 7.199 ( -2.479 -2.303 -0.545) 3.427 7.261 ( 2.347 -0.321 -0.879) 2.527 7.316 ( 2.733 -0.939 -1.461) 3.239 7.441 ( -1.573 3.682 0.584) 4.046 7.725 ( 2.621 -3.309 0.004) 4.221 7.800 ( -3.472 0.387 0.830) 3.591 7.908 ( 4.076 -0.577 0.216) 4.122 8.096 ( 3.094 0.090 -6.379) 7.091 8.113 ( 0.339 2.556 -1.055) 2.786 8.207 ( 0.106 1.525 3.396) 3.724 8.293 ( 3.652 0.106 -2.284) 4.309 8.484 ( -0.589 -2.675 3.029) 4.083 8.521 ( -5.220 -0.556 1.571) 5.480 8.663 ( -4.584 -5.542 1.235) 7.297 8.870 ( -6.001 -3.997 -0.789) 7.254 9.087 ( 4.421 3.604 2.031) 6.055 9.281 ( -0.351 -3.788 2.079) 4.336 9.454 ( -0.511 -0.372 -3.439) 3.497 9.572 ( 1.129 4.480 -2.804) 5.404 10.867 ( -0.922 0.938 -0.367) 1.366 11.030 ( 5.579 2.074 3.183) 6.749 11.072 ( -5.251 0.240 -2.185) 5.693 11.157 ( 1.137 -1.294 0.351) 1.758 11.239 ( -1.179 -2.649 1.282) 3.170 11.352 ( 1.642 -3.168 1.458) 3.855 11.453 ( -1.092 -3.480 1.154) 3.826 11.692 ( -2.112 7.901 -7.250) 10.929 13.755 ( 2.933 -1.780 3.327) 4.779 13.830 ( 0.405 -6.603 1.113) 6.708 13.879 ( 1.522 -9.679 -0.500) 9.810 14.118 ( 0.859 2.423 -0.344) 2.593 14.220 ( -1.292 2.636 -1.544) 3.317 14.420 ( -0.832 2.633 -6.066) 6.664 14.442 ( 2.297 -1.963 3.381) 4.535 14.638 ( 2.441 -1.113 -1.743) 3.199 14.736 ( 0.287 2.050 -5.428) 5.810 14.779 ( -0.178 -1.981 1.793) 2.678 15.268 ( 2.208 -7.983 7.460) 11.147 15.566 ( 0.427 -6.918 -0.835) 6.981 22.707 ( 1.788 1.131 1.042) 2.358 22.787 ( 2.775 3.835 -1.073) 4.854 23.195 ( -2.426 -3.087 0.616) 3.974 23.255 ( -1.173 -3.798 -0.931) 4.082 23.775 ( -1.061 9.922 0.913) 10.020 23.850 ( -0.188 13.007 -1.666) 13.115 25.549 ( 0.564 -8.329 1.282) 8.446 25.836 ( -0.159 -6.912 -0.785) 6.958 25.977 ( 3.199 -1.528 0.322) 3.560 26.157 ( -1.265 -4.935 -0.350) 5.107 26.350 ( 3.204 -12.817 4.428) 13.933 26.789 ( 4.445 -3.288 -3.669) 6.636 27.085 ( -0.281 -0.627 0.724) 0.998 27.200 ( -0.744 6.273 -2.296) 6.721 27.277 ( 5.166 -1.151 3.290) 6.232 27.781 ( 2.021 -7.204 -1.949) 7.732 28.195 ( -0.126 0.565 0.227) 0.621 28.279 ( -0.415 -0.961 -3.258) 3.422 28.423 ( -1.897 7.526 2.881) 8.279 28.690 ( -2.469 1.283 -2.501) 3.741 28.805 ( -1.419 -1.132 -2.603) 3.173 28.952 ( 1.019 3.718 -7.666) 8.581 29.421 ( -9.570 4.256 10.707) 14.978 29.584 ( 2.210 -1.098 -1.278) 2.779 31.961 ( -0.966 -0.533 0.709) 1.312 31.983 ( -0.192 -0.544 1.262) 1.388 32.061 ( -0.137 0.791 -1.369) 1.587 32.126 ( 0.225 -0.711 -1.589) 1.755 35.034 ( -0.339 2.599 0.923) 2.779 35.108 ( 0.131 3.656 -1.021) 3.798 35.418 ( 0.582 -0.612 0.929) 1.255 35.497 ( -0.613 -1.235 -0.107) 1.383 39.196 ( -0.275 0.577 0.544) 0.840 39.260 ( -0.162 1.388 -0.779) 1.600 39.514 ( 0.304 -1.760 1.588) 2.390 39.607 ( 2.342 -1.938 -1.426) 3.358 46.844 ( -0.248 1.547 0.654) 1.698 46.881 ( 0.312 2.079 -0.499) 2.161 47.410 ( -0.208 -2.811 0.656) 2.894 47.453 ( 0.158 -2.206 -0.727) 2.328 63.915 ( -2.398 13.584 3.986) 14.358 64.341 ( 1.321 28.504 -6.926) 29.363 66.431 ( 6.357 -7.686 4.773) 11.057 67.550 ( -8.436 -15.441 -12.400) 21.525 85.190 ( 0.210 0.364 0.715) 0.829 85.313 ( 1.946 0.601 -3.037) 3.657 85.629 ( -3.169 -1.913 4.969) 6.197 85.713 ( 5.136 -2.348 -2.165) 6.048 87.322 ( 1.963 -0.384 -2.400) 3.124 87.416 ( 0.255 3.277 -3.609) 4.882 87.752 ( -2.853 -6.007 14.863) 16.283 88.309 ( 19.331 -13.825 -8.495) 25.239 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -19.052 14.380 12.799) 27.085 1.591 ( -18.397 4.640 1.237) 19.014 1.941 ( 17.637 10.155 11.827) 23.539 2.092 ( 4.464 4.188 10.980) 12.571 2.378 ( 6.699 -2.335 -10.566) 12.726 2.696 ( 0.559 4.304 -8.790) 9.803 2.855 ( 1.558 12.076 -8.764) 15.002 2.930 ( 9.048 -4.619 8.817) 13.452 3.092 ( 2.726 0.438 -3.616) 4.550 3.274 ( 6.255 -1.243 -5.207) 8.233 3.366 ( -1.757 0.758 -0.254) 1.931 3.508 ( -1.088 8.838 -1.649) 9.056 3.527 ( -7.259 3.224 6.099) 10.014 3.693 ( -3.300 7.583 -4.619) 9.472 3.711 ( -1.165 5.154 -3.742) 6.475 3.900 ( -1.004 3.124 2.624) 4.201 3.974 ( 2.183 -2.969 5.496) 6.617 4.153 ( -2.887 3.954 0.258) 4.903 4.292 ( 3.326 -0.067 -0.807) 3.423 4.383 ( -3.498 4.335 0.307) 5.579 4.481 ( 3.799 -6.246 0.294) 7.317 4.610 ( 2.782 -1.696 -7.054) 7.771 4.919 ( -0.499 -0.328 -3.616) 3.665 4.983 ( -4.048 -0.330 -0.042) 4.062 5.017 ( 3.903 1.158 2.967) 5.037 5.060 ( 6.158 1.795 -1.242) 6.533 5.170 ( 1.676 -3.937 2.202) 4.812 5.250 ( -0.012 5.260 1.483) 5.465 5.346 ( -0.720 1.312 1.295) 1.979 5.422 ( -2.762 -1.116 -4.022) 5.005 5.452 ( -0.160 -1.053 -1.055) 1.500 5.552 ( 5.395 0.987 -0.030) 5.485 5.620 ( -7.719 1.291 -4.590) 9.073 5.716 ( -7.926 4.436 1.129) 9.152 5.794 ( 1.746 2.837 -4.810) 5.851 5.882 ( -4.490 0.486 1.758) 4.846 5.924 ( 3.365 2.723 8.463) 9.506 6.001 ( 3.795 -0.603 3.540) 5.224 6.115 ( 0.835 1.991 3.874) 4.435 6.129 ( -0.674 1.538 2.552) 3.055 6.235 ( -1.886 -2.441 -2.486) 3.962 6.282 ( -3.713 2.577 3.550) 5.747 6.317 ( -0.310 -1.817 0.633) 1.949 6.360 ( 0.048 -0.432 0.806) 0.916 6.427 ( -1.734 1.027 -0.742) 2.148 6.458 ( 0.441 1.564 1.622) 2.296 6.565 ( 7.725 -0.072 4.456) 8.918 6.650 ( 2.727 -4.271 -3.672) 6.258 6.725 ( -7.500 -1.588 -4.191) 8.737 6.810 ( -3.297 0.190 -0.937) 3.433 6.909 ( 0.891 1.367 0.905) 1.866 6.950 ( 1.258 1.260 -1.902) 2.606 7.088 ( 1.869 0.372 4.577) 4.958 7.169 ( -0.013 -2.256 0.149) 2.261 7.268 ( -0.229 0.466 -1.525) 1.611 7.352 ( 2.410 -2.344 -1.441) 3.658 7.407 ( -1.196 0.663 0.233) 1.387 7.727 ( -0.720 0.595 -3.905) 4.015 7.813 ( -0.289 -2.706 -3.571) 4.490 7.966 ( 1.046 0.400 5.255) 5.373 8.075 ( -0.074 -3.153 -4.889) 5.818 8.144 ( -0.333 2.500 2.536) 3.576 8.260 ( 1.537 3.463 2.184) 4.373 8.394 ( 8.120 -2.137 1.863) 8.601 8.432 ( -2.654 -0.577 1.659) 3.182 8.491 ( 0.334 -0.231 0.900) 0.988 8.629 ( -0.518 -3.855 0.571) 3.932 8.745 ( -2.866 -4.028 -5.104) 7.106 9.107 ( -3.742 2.926 3.431) 5.860 9.334 ( 3.583 -2.845 3.336) 5.663 9.396 ( -3.834 -0.725 -5.478) 6.726 9.569 ( 0.211 1.593 -3.348) 3.714 10.864 ( -0.345 3.282 1.141) 3.492 10.979 ( -0.708 6.311 -1.600) 6.549 11.146 ( -0.880 -0.732 1.681) 2.034 11.173 ( 2.501 -1.958 3.024) 4.386 11.229 ( 0.759 -4.989 0.830) 5.114 11.351 ( -4.490 -2.726 -1.755) 5.538 11.415 ( 1.257 -3.352 0.771) 3.662 11.683 ( 3.558 6.277 -6.708) 9.852 13.781 ( -2.804 -6.308 3.120) 7.576 13.839 ( 1.093 -5.353 1.851) 5.769 13.907 ( 0.885 -6.290 1.527) 6.533 14.122 ( -0.371 3.136 -1.785) 3.628 14.161 ( -2.715 2.351 -1.847) 4.039 14.366 ( -0.608 1.939 -7.306) 7.583 14.508 ( 0.580 -1.058 4.179) 4.350 14.646 ( -4.749 -0.771 -1.747) 5.119 14.708 ( 4.728 0.664 1.835) 5.114 14.795 ( 0.626 -1.278 -4.312) 4.541 15.363 ( 2.994 -11.330 8.794) 14.652 15.555 ( -0.773 -7.014 -1.661) 7.249 22.707 ( -2.290 1.818 0.976) 3.083 22.798 ( -0.946 2.860 -0.740) 3.102 23.194 ( 1.900 -3.063 0.579) 3.651 23.254 ( 1.685 -3.741 -0.934) 4.209 23.768 ( -0.041 9.702 0.566) 9.718 23.864 ( 2.474 13.476 -1.219) 13.755 25.582 ( 0.840 -9.504 3.122) 10.039 25.759 ( -3.326 -6.012 -3.525) 7.722 26.063 ( -2.660 -6.871 1.174) 7.461 26.122 ( 2.898 -1.508 -0.296) 3.280 26.359 ( -4.005 -9.393 5.512) 11.604 26.781 ( -2.287 -3.393 -4.459) 6.052 27.080 ( -0.578 -0.503 0.600) 0.973 27.169 ( -0.808 4.516 -1.469) 4.817 27.427 ( 5.556 -3.163 7.602) 9.933 27.777 ( -1.147 -9.298 -4.815) 10.534 28.182 ( -1.171 -0.251 -1.596) 1.995 28.267 ( 0.754 0.376 -3.001) 3.117 28.394 ( -2.270 9.061 2.557) 9.685 28.678 ( 3.629 2.850 -2.706) 5.349 28.768 ( -0.320 0.146 -4.101) 4.116 28.961 ( 3.260 4.366 -8.085) 9.750 29.317 ( -7.080 4.701 9.261) 12.569 29.624 ( 2.064 -1.351 0.782) 2.588 31.961 ( 0.610 -0.555 0.724) 1.097 31.986 ( -0.239 -0.521 1.403) 1.515 32.059 ( 0.684 0.804 -1.455) 1.797 32.121 ( 0.141 -0.615 -1.741) 1.852 35.034 ( -0.185 2.540 0.896) 2.700 35.110 ( 0.602 3.728 -0.966) 3.897 35.434 ( 0.468 -0.797 1.650) 1.891 35.484 ( -0.496 -1.107 -0.751) 1.426 39.201 ( 0.392 0.567 0.743) 1.014 39.256 ( 0.154 1.320 -0.979) 1.651 39.510 ( -1.487 -1.548 1.270) 2.494 39.626 ( 0.307 -2.541 -0.815) 2.686 46.841 ( -0.375 1.596 0.479) 1.708 46.886 ( 0.462 1.987 -0.268) 2.058 47.406 ( -0.469 -2.830 0.443) 2.903 47.458 ( 0.698 -2.196 -0.496) 2.357 63.922 ( 0.756 13.054 4.114) 13.708 64.376 ( 6.369 29.877 -6.221) 31.176 66.543 ( 0.497 -9.541 11.114) 14.656 67.310 ( -8.555 -11.713 -21.593) 26.012 85.192 ( -0.420 0.348 0.807) 0.974 85.315 ( -0.239 0.478 -3.240) 3.283 85.575 ( -4.369 -1.325 2.541) 5.225 85.790 ( 3.568 -3.071 0.839) 4.782 87.326 ( -0.355 0.008 -2.168) 2.197 87.386 ( -1.374 2.181 -4.074) 4.821 87.696 ( -9.603 -5.557 10.839) 15.511 88.596 ( 13.922 -19.648 -0.174) 24.081 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -16.542 14.101 18.174) 28.334 1.154 ( -23.619 10.121 3.584) 25.945 2.147 ( 5.089 9.249 -7.847) 13.154 2.292 ( -1.480 19.138 5.736) 20.034 2.545 ( 12.698 9.309 3.778) 16.192 2.661 ( -11.219 18.359 3.608) 21.816 2.729 ( 6.102 -0.051 -7.770) 9.880 2.948 ( -2.107 2.520 -5.478) 6.387 3.239 ( 4.105 -4.542 -3.255) 6.934 3.343 ( 12.244 0.435 0.633) 12.268 3.460 ( 4.612 -5.607 -4.131) 8.353 3.466 ( -4.066 7.741 7.959) 11.824 3.641 ( 12.183 0.920 3.484) 12.704 3.665 ( 9.519 4.325 -3.540) 11.038 3.767 ( 10.194 4.626 -3.885) 11.849 3.918 ( 3.070 -2.151 1.929) 4.215 4.059 ( 3.243 -3.510 4.713) 6.712 4.160 ( 0.073 -2.727 -1.923) 3.338 4.214 ( -2.653 0.408 -1.777) 3.220 4.384 ( -6.309 -1.946 4.610) 8.053 4.543 ( 6.078 4.659 1.659) 7.836 4.661 ( 0.572 -9.373 -6.421) 11.375 4.854 ( -5.714 -0.247 -4.669) 7.383 4.886 ( -2.421 -4.624 1.133) 5.341 5.032 ( -8.024 0.101 -1.437) 8.152 5.056 ( -3.496 -2.056 -1.044) 4.188 5.161 ( -4.249 -2.117 -1.071) 4.866 5.245 ( -0.335 4.795 -4.125) 6.334 5.312 ( 6.039 7.247 -1.789) 9.601 5.388 ( 0.453 2.364 2.205) 3.264 5.448 ( 0.813 0.195 0.899) 1.228 5.532 ( -3.730 5.877 1.145) 7.054 5.600 ( -1.692 1.604 0.361) 2.359 5.652 ( -0.194 4.452 -1.813) 4.811 5.785 ( 1.111 -3.854 -2.224) 4.587 5.835 ( -4.857 -1.361 -0.368) 5.058 5.939 ( -1.257 -0.943 -0.833) 1.778 6.007 ( -4.274 -0.922 4.973) 6.622 6.057 ( 0.230 0.908 2.227) 2.416 6.153 ( -2.670 -0.671 4.483) 5.261 6.243 ( 1.021 1.432 2.010) 2.671 6.288 ( -2.691 2.475 5.590) 6.679 6.306 ( -2.396 -0.685 3.241) 4.089 6.356 ( 2.855 2.798 -2.913) 4.946 6.423 ( 2.547 -0.363 -2.469) 3.565 6.502 ( -4.120 3.266 -2.281) 5.731 6.565 ( 2.756 0.064 2.463) 3.696 6.648 ( -1.128 -1.448 1.135) 2.158 6.733 ( 0.190 3.682 0.436) 3.713 6.783 ( 0.071 2.998 -3.880) 4.904 6.895 ( 1.606 3.007 0.412) 3.434 6.982 ( 2.863 -3.576 0.247) 4.588 7.134 ( 2.103 -2.966 0.253) 3.645 7.210 ( 0.172 -4.878 2.318) 5.404 7.302 ( 6.230 2.252 4.927) 8.256 7.374 ( -0.068 -2.926 0.906) 3.064 7.444 ( 4.427 1.532 1.599) 4.950 7.703 ( -0.998 2.839 -3.055) 4.288 7.715 ( -4.414 -1.265 -11.054) 11.970 7.889 ( -7.915 -0.966 -0.243) 7.978 8.061 ( -2.701 3.393 0.293) 4.347 8.122 ( -3.148 -1.922 -2.157) 4.273 8.265 ( 2.898 -1.977 -0.492) 3.542 8.439 ( 0.690 -1.964 1.976) 2.870 8.511 ( 0.886 -1.092 -2.389) 2.772 8.558 ( 0.202 -0.363 3.802) 3.825 8.624 ( 4.189 -0.559 6.127) 7.443 8.795 ( 8.485 -1.605 3.472) 9.307 9.060 ( -1.172 -1.706 -0.502) 2.130 9.256 ( -7.413 -3.497 -8.092) 11.518 9.395 ( 0.703 -2.537 2.624) 3.717 9.534 ( -2.224 -1.089 -3.835) 4.565 10.854 ( -0.191 5.548 0.671) 5.591 11.004 ( -2.875 3.918 0.146) 4.862 11.071 ( -6.619 -0.281 -0.181) 6.627 11.169 ( 1.858 2.246 3.024) 4.200 11.246 ( 3.525 -3.256 -0.580) 4.833 11.388 ( 5.295 -1.282 1.323) 5.606 11.469 ( 3.685 -3.601 1.751) 5.441 11.707 ( 2.767 6.033 -7.643) 10.123 13.733 ( -3.167 -7.624 1.498) 8.391 13.837 ( -1.688 -5.160 1.851) 5.736 13.945 ( 1.171 -2.423 3.547) 4.453 14.082 ( -2.224 3.217 -5.215) 6.519 14.100 ( -3.420 3.523 -1.429) 5.114 14.351 ( 1.911 -0.820 -3.061) 3.701 14.481 ( -4.574 -2.680 1.558) 5.526 14.561 ( -3.832 0.057 0.450) 3.858 14.747 ( -2.856 -1.933 -7.558) 8.308 14.837 ( 7.161 0.800 2.840) 7.745 15.426 ( -0.961 -13.723 6.203) 15.091 15.521 ( -2.201 -7.859 -2.630) 8.575 22.647 ( -4.155 2.548 0.633) 4.914 22.751 ( -3.775 0.513 -0.787) 3.890 23.253 ( 3.754 -3.813 0.288) 5.358 23.302 ( 3.698 -3.579 -0.526) 5.173 23.780 ( 1.052 9.530 0.618) 9.608 23.929 ( 5.514 15.262 -1.871) 16.335 25.554 ( -4.051 -8.574 1.620) 9.621 25.765 ( 3.392 -8.559 0.759) 9.238 25.917 ( -9.171 -3.600 -2.103) 10.074 26.180 ( -1.109 -6.458 -0.595) 6.580 26.325 ( -0.925 -3.410 8.881) 9.558 26.682 ( -6.542 -7.158 -3.779) 10.408 27.065 ( -1.673 -0.885 0.519) 1.963 27.152 ( -0.874 3.048 -0.466) 3.205 27.500 ( -1.648 -5.802 5.372) 8.077 27.658 ( -7.318 -7.772 -15.294) 18.651 28.139 ( -0.943 0.359 -2.285) 2.498 28.281 ( 1.280 1.474 -1.490) 2.456 28.401 ( 1.345 6.970 5.838) 9.191 28.712 ( -0.782 1.372 -1.612) 2.256 28.833 ( 9.644 2.121 -2.234) 10.124 28.994 ( 6.499 10.112 -9.401) 15.260 29.247 ( -5.193 4.298 7.377) 9.993 29.661 ( 0.828 -1.421 2.727) 3.185 31.985 ( 0.707 -0.507 0.860) 1.223 31.990 ( 0.653 -0.788 1.156) 1.544 32.072 ( 1.371 1.089 -1.268) 2.162 32.113 ( -0.044 -0.347 -1.888) 1.921 35.036 ( -0.034 2.586 0.743) 2.690 35.122 ( 1.357 4.548 -1.311) 4.924 35.454 ( 0.616 -1.290 2.866) 3.203 35.474 ( -0.055 -1.063 -1.018) 1.473 39.216 ( 0.743 0.401 0.791) 1.157 39.258 ( 0.618 1.156 -0.986) 1.640 39.476 ( -2.577 -1.182 0.809) 2.948 39.610 ( -1.844 -3.820 -0.516) 4.273 46.837 ( -0.344 1.617 0.419) 1.705 46.894 ( 0.422 1.701 -0.118) 1.757 47.398 ( -0.532 -2.733 0.424) 2.817 47.473 ( 1.227 -1.886 -0.575) 2.322 63.980 ( 3.725 14.131 2.984) 14.915 64.539 ( 16.315 37.306 -6.911) 41.300 66.503 ( -11.578 -13.995 6.285) 19.220 67.026 ( -9.758 -3.403 -24.761) 26.831 85.184 ( -0.814 0.250 0.738) 1.127 85.277 ( -1.982 0.552 -2.459) 3.206 85.506 ( -3.669 -1.285 0.085) 3.888 85.846 ( 1.051 -6.315 2.838) 7.003 87.293 ( -1.954 0.688 -1.246) 2.417 87.333 ( -2.042 1.286 -3.877) 4.567 87.540 ( -11.046 -4.080 6.208) 13.312 88.773 ( 3.104 -29.645 -0.267) 29.809 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -7.823 20.979 14.340) 26.588 0.978 ( -8.502 26.161 17.477) 32.590 1.873 ( -28.530 47.106 13.449) 56.691 2.262 ( 7.116 8.606 -13.000) 17.138 2.546 ( -5.345 3.177 -7.934) 10.080 2.661 ( 0.958 9.472 -9.539) 13.477 2.933 ( 17.044 6.370 5.970) 19.150 3.080 ( 8.083 -0.970 0.230) 8.144 3.264 ( 3.430 1.582 -4.178) 5.633 3.365 ( -5.184 4.246 -4.023) 7.816 3.510 ( 3.246 0.751 9.550) 10.115 3.583 ( 7.431 -1.989 1.770) 7.894 3.823 ( 8.515 -2.763 -2.814) 9.384 3.867 ( 1.987 -4.761 0.431) 5.177 3.996 ( 5.028 -1.438 -3.923) 6.538 4.059 ( 10.661 -0.945 7.137) 12.864 4.099 ( 0.701 -4.250 2.352) 4.908 4.128 ( -4.660 -1.986 3.150) 5.965 4.177 ( 8.728 0.328 -4.273) 9.724 4.322 ( 0.068 2.828 -1.959) 3.441 4.573 ( -0.197 1.227 -3.822) 4.019 4.664 ( 0.024 -3.880 -0.894) 3.981 4.697 ( -3.090 -1.148 -5.372) 6.302 4.804 ( -7.369 0.836 0.733) 7.452 4.922 ( -2.422 -6.339 3.055) 7.442 5.008 ( 1.730 -1.527 0.127) 2.311 5.083 ( -7.721 -3.942 0.334) 8.676 5.266 ( 3.491 -3.727 -3.864) 6.404 5.356 ( 1.309 3.175 0.649) 3.495 5.381 ( -3.749 2.654 3.092) 5.537 5.440 ( 0.536 6.129 -0.144) 6.154 5.541 ( -6.549 -1.119 -1.881) 6.905 5.570 ( 0.575 5.348 -0.284) 5.386 5.666 ( 4.050 0.121 -1.598) 4.355 5.714 ( 1.939 7.070 -2.114) 7.630 5.837 ( 0.981 0.771 1.556) 1.995 5.903 ( -6.299 -2.424 3.788) 7.740 5.973 ( -2.746 -3.203 0.492) 4.248 6.060 ( 0.029 -2.902 1.241) 3.156 6.119 ( -4.763 1.589 3.229) 5.970 6.187 ( 1.154 1.254 -0.586) 1.803 6.245 ( -1.441 -0.944 2.629) 3.143 6.312 ( -2.499 -2.817 0.329) 3.780 6.385 ( -1.443 4.012 -0.181) 4.268 6.464 ( 6.508 4.028 -1.245) 7.754 6.516 ( 1.790 5.750 1.864) 6.304 6.558 ( -4.585 1.855 1.163) 5.081 6.600 ( -0.728 -0.491 -1.444) 1.690 6.717 ( -1.202 4.784 -1.109) 5.056 6.795 ( 1.788 7.002 -1.691) 7.422 6.956 ( 4.634 1.421 -1.902) 5.207 7.016 ( -0.833 -5.122 -1.347) 5.361 7.192 ( 2.632 -3.481 -2.537) 5.048 7.212 ( 0.789 -4.873 0.710) 4.987 7.371 ( 1.082 -2.254 0.770) 2.616 7.419 ( 0.911 -3.206 4.345) 5.476 7.569 ( -2.140 -2.144 -2.297) 3.801 7.574 ( 3.362 3.828 -1.929) 5.448 7.695 ( 3.369 1.876 2.718) 4.717 7.738 ( -7.039 -0.775 -3.228) 7.782 7.920 ( -11.845 1.625 -2.595) 12.235 8.179 ( 13.156 7.138 3.206) 15.307 8.323 ( 1.061 -4.868 -1.632) 5.242 8.404 ( -4.692 -4.471 2.302) 6.878 8.486 ( -0.974 -3.476 2.100) 4.176 8.620 ( 4.365 2.451 1.026) 5.110 8.715 ( 1.393 -1.745 4.296) 4.841 8.957 ( -12.466 -6.511 -12.836) 19.041 9.009 ( 8.805 -0.676 9.033) 12.632 9.113 ( -1.352 -4.799 1.819) 5.308 9.358 ( -6.525 -2.666 2.578) 7.505 9.492 ( 1.072 -1.466 -4.005) 4.398 10.840 ( -5.610 1.406 -0.788) 5.837 10.897 ( -0.323 3.135 2.228) 3.860 10.948 ( -5.914 2.523 -1.891) 6.701 11.275 ( 0.988 -0.733 0.006) 1.230 11.327 ( 5.101 -3.327 0.717) 6.132 11.521 ( 6.472 3.541 4.092) 8.436 11.554 ( 4.563 -1.107 0.164) 4.698 11.767 ( 13.204 12.948 -9.596) 20.835 13.680 ( -3.234 -6.384 -0.060) 7.156 13.824 ( -0.151 -2.991 0.626) 3.059 13.933 ( -5.319 -3.125 -3.389) 7.038 13.964 ( -6.769 3.608 -4.810) 9.054 14.057 ( -0.853 2.761 -1.315) 3.175 14.331 ( -9.086 -7.859 3.883) 12.625 14.428 ( 2.361 0.010 -0.209) 2.371 14.503 ( -2.825 0.911 0.972) 3.124 14.627 ( -4.427 0.263 -6.835) 8.148 14.973 ( 5.827 0.753 0.699) 5.917 15.373 ( -9.047 -13.728 3.441) 16.797 15.430 ( -3.704 -4.947 -3.684) 7.195 22.580 ( -2.995 2.720 0.212) 4.052 22.650 ( -6.627 -0.972 -1.171) 6.800 23.318 ( 2.882 -4.769 0.283) 5.579 23.372 ( 3.638 -3.700 -0.291) 5.197 23.808 ( 1.295 9.253 0.958) 9.393 24.044 ( 8.567 17.218 -6.666) 20.354 25.529 ( 0.735 -8.486 6.141) 10.501 25.720 ( -6.900 -8.499 -1.663) 11.073 25.825 ( -4.222 -5.588 0.652) 7.034 26.118 ( -2.785 -3.385 1.409) 4.604 26.372 ( -3.810 -10.429 4.273) 11.897 26.456 ( -12.245 -5.273 -10.301) 16.848 26.999 ( -5.303 1.006 1.816) 5.695 27.129 ( -0.793 2.037 -0.843) 2.343 27.403 ( -3.800 4.185 -10.929) 12.305 27.476 ( -4.867 -4.271 -0.724) 6.516 28.157 ( 2.247 -1.078 2.491) 3.524 28.294 ( 0.924 2.157 -0.707) 2.451 28.460 ( 0.327 3.693 5.908) 6.975 28.681 ( -0.511 2.077 -4.799) 5.254 28.955 ( 3.826 -3.352 0.534) 5.115 29.157 ( 2.529 7.720 -1.485) 8.258 29.270 ( 17.290 10.562 2.002) 20.359 29.670 ( -1.699 -1.372 3.155) 3.838 31.987 ( -0.368 -0.371 1.217) 1.324 32.024 ( 1.767 -1.103 0.484) 2.139 32.092 ( 1.303 1.386 -0.959) 2.130 32.100 ( -0.298 0.283 -1.694) 1.743 35.040 ( 0.080 2.800 0.643) 2.874 35.148 ( 2.688 5.523 -3.291) 6.968 35.474 ( 0.532 -1.138 -0.674) 1.425 35.483 ( 0.379 -2.909 3.520) 4.582 39.232 ( 0.478 0.232 0.613) 0.811 39.268 ( 1.010 1.045 -0.857) 1.687 39.433 ( -2.130 -0.854 0.445) 2.338 39.543 ( -5.461 -4.898 -0.793) 7.379 46.834 ( -0.201 1.606 0.483) 1.689 46.897 ( -0.156 1.283 -0.242) 1.315 47.393 ( -0.253 -2.591 0.717) 2.701 47.496 ( 1.717 -1.487 -1.419) 2.678 64.090 ( 6.367 16.123 2.222) 17.477 64.999 ( 43.439 50.157 -23.164) 70.280 66.144 ( -21.689 -7.965 -10.008) 25.179 66.718 ( -16.394 4.285 -3.305) 17.264 85.173 ( -0.691 0.159 0.557) 0.902 85.234 ( -1.138 0.691 -1.749) 2.198 85.455 ( -1.196 -1.461 -0.592) 1.979 85.810 ( -9.140 -14.109 3.437) 17.159 87.257 ( -1.380 1.226 -0.093) 1.848 87.286 ( -0.690 1.286 -3.068) 3.398 87.383 ( -8.090 -3.242 3.406) 9.357 88.544 ( -28.424 -31.245 -16.738) 45.435 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 1.317 27.783 9.012) 29.238 1.667 ( -1.155 32.644 7.451) 33.503 2.468 ( 0.048 8.288 -13.329) 15.696 2.500 ( 0.138 16.041 -16.832) 23.252 2.765 ( -3.071 32.392 7.755) 33.449 2.948 ( 10.857 19.240 -0.143) 22.092 3.065 ( -8.793 4.362 -3.261) 10.343 3.219 ( -5.187 3.216 -0.114) 6.104 3.317 ( -5.892 -1.327 3.211) 6.840 3.417 ( -6.517 -4.532 1.129) 8.018 3.522 ( 11.121 6.913 -0.595) 13.108 3.668 ( 6.963 1.072 2.741) 7.559 3.794 ( -4.517 -2.288 3.630) 6.230 3.813 ( 7.394 -6.233 6.600) 11.708 3.954 ( -4.682 -0.431 4.350) 6.406 4.041 ( -0.290 -2.599 -0.011) 2.615 4.129 ( 1.913 -1.067 4.513) 5.016 4.184 ( 5.496 1.739 5.423) 7.915 4.337 ( 5.587 -5.129 -1.879) 7.813 4.416 ( -10.828 7.121 -6.550) 14.521 4.557 ( -8.042 -1.800 -1.320) 8.346 4.614 ( 8.527 -5.345 -1.962) 10.254 4.642 ( 0.301 -1.277 1.374) 1.900 4.670 ( 6.094 -2.535 -3.347) 7.400 4.817 ( -8.319 -3.393 4.969) 10.267 4.887 ( 5.274 0.253 4.199) 6.746 5.033 ( 4.372 -1.897 -3.939) 6.183 5.205 ( 0.925 -2.714 -1.179) 3.100 5.249 ( -8.035 2.665 -4.464) 9.570 5.378 ( -2.054 -1.217 -3.356) 4.118 5.413 ( 1.842 -0.943 -0.301) 2.092 5.544 ( 0.498 -0.498 3.457) 3.528 5.604 ( -1.310 -5.500 -2.735) 6.281 5.710 ( -2.969 2.764 -2.216) 4.622 5.775 ( 4.423 0.628 -2.195) 4.978 5.866 ( 3.073 1.610 -0.887) 3.581 5.889 ( -3.631 4.435 3.487) 6.709 6.021 ( 0.149 -0.150 -0.954) 0.978 6.075 ( 3.708 6.524 1.232) 7.605 6.126 ( -3.311 3.970 1.480) 5.377 6.255 ( -0.960 0.437 -0.202) 1.074 6.284 ( 2.167 3.455 1.216) 4.256 6.298 ( 5.492 0.451 2.206) 5.936 6.399 ( -2.761 1.862 3.263) 4.662 6.429 ( -4.259 0.174 -4.248) 6.018 6.563 ( -3.008 0.243 -1.659) 3.444 6.612 ( 0.470 0.496 -0.744) 1.011 6.713 ( -2.250 3.678 -4.201) 6.020 6.777 ( -0.067 0.326 0.500) 0.601 6.850 ( -2.203 -3.090 -0.618) 3.845 6.887 ( 0.561 4.045 -1.774) 4.452 6.982 ( -3.235 -0.740 -4.320) 5.447 7.083 ( 0.809 -2.733 -4.837) 5.615 7.153 ( -1.607 -3.499 -3.019) 4.893 7.257 ( -0.444 -4.476 7.474) 8.723 7.429 ( 3.792 -3.715 -0.154) 5.311 7.514 ( 0.244 0.419 2.168) 2.222 7.638 ( 1.213 1.649 -2.870) 3.525 7.722 ( -1.493 0.637 -2.413) 2.908 7.788 ( 3.673 5.308 -0.071) 6.456 7.963 ( 4.355 4.175 2.451) 6.512 8.157 ( -4.196 -3.002 -3.387) 6.172 8.260 ( 1.124 -5.361 2.782) 6.143 8.345 ( -1.533 -6.241 1.635) 6.631 8.479 ( -0.076 1.336 -0.943) 1.637 8.596 ( -0.885 -2.418 6.928) 7.391 8.694 ( -0.633 -2.102 -2.941) 3.670 8.771 ( 6.591 -2.661 -0.402) 7.120 9.039 ( -0.570 -2.608 1.877) 3.263 9.147 ( -2.752 -0.587 6.730) 7.294 9.218 ( 0.183 -4.497 1.501) 4.744 9.430 ( 2.484 -5.126 -2.097) 6.070 10.846 ( 1.528 4.230 0.421) 4.517 10.901 ( -0.491 1.676 -0.697) 1.881 11.056 ( 0.290 5.521 0.778) 5.583 11.209 ( -2.795 0.484 -3.285) 4.340 11.289 ( 0.887 -5.054 3.033) 5.961 11.508 ( -1.209 -3.081 -2.619) 4.221 11.625 ( -2.710 1.818 3.443) 4.744 11.988 ( 2.081 -6.107 -6.866) 9.422 13.692 ( 3.583 1.371 1.007) 3.966 13.731 ( -0.558 -1.561 -0.489) 1.729 13.838 ( -2.249 0.843 -1.153) 2.664 13.884 ( -1.193 2.199 -6.043) 6.541 14.134 ( 0.351 3.208 3.054) 4.443 14.213 ( 0.671 2.114 1.128) 2.488 14.468 ( 2.368 -2.926 4.456) 5.833 14.534 ( -0.534 4.856 1.670) 5.163 14.619 ( 0.964 1.099 -2.803) 3.161 14.924 ( -3.429 -3.984 -5.148) 7.357 15.155 ( -2.012 -3.710 4.615) 6.254 15.315 ( 2.536 -5.722 -0.081) 6.260 22.623 ( -0.727 4.909 0.160) 4.965 22.642 ( 0.576 5.239 -0.301) 5.279 23.220 ( -0.301 -6.955 0.663) 6.993 23.276 ( 0.167 -7.469 -0.739) 7.507 24.086 ( 0.017 14.832 1.981) 14.964 24.387 ( -0.127 12.710 -7.815) 14.921 25.318 ( -1.746 -10.730 6.464) 12.648 25.485 ( 2.144 -10.649 0.213) 10.865 25.735 ( 0.411 -0.137 0.293) 0.524 25.922 ( -6.664 -3.572 -7.237) 10.466 26.156 ( 3.145 -4.814 3.915) 6.957 26.319 ( 0.322 -6.170 -2.229) 6.568 27.023 ( -0.469 2.855 2.074) 3.560 27.152 ( 0.793 0.373 -2.470) 2.621 27.298 ( -2.178 -3.100 2.857) 4.745 27.437 ( 3.182 -2.428 -2.072) 4.507 28.218 ( 0.784 1.962 3.978) 4.504 28.356 ( 0.710 1.799 1.604) 2.512 28.550 ( -1.368 4.469 -1.800) 5.008 28.686 ( -0.843 1.197 -9.496) 9.608 29.005 ( 1.211 3.311 6.675) 7.549 29.194 ( -0.994 2.521 -0.353) 2.733 29.573 ( -3.300 -2.827 0.538) 4.378 29.611 ( 7.598 -4.121 -0.274) 8.648 31.979 ( -0.344 -0.277 0.981) 1.076 32.011 ( -0.257 -1.276 0.210) 1.319 32.114 ( 0.388 0.813 -0.635) 1.102 32.131 ( 0.423 0.855 -0.996) 1.379 35.122 ( -0.216 4.291 0.840) 4.378 35.255 ( 1.290 2.687 -4.047) 5.027 35.413 ( -2.044 -1.944 2.175) 3.562 35.447 ( 0.576 -2.427 0.094) 2.496 39.246 ( -0.406 0.778 0.555) 1.038 39.309 ( 0.958 1.240 -1.287) 2.028 39.389 ( -0.602 -1.258 1.002) 1.717 39.427 ( -0.447 -0.673 -0.122) 0.817 46.884 ( -0.083 3.188 0.690) 3.262 46.946 ( -0.001 3.852 -0.814) 3.937 47.319 ( -0.093 -4.636 1.272) 4.809 47.433 ( 0.024 -4.900 -1.758) 5.206 64.589 ( -1.651 21.593 5.103) 22.249 65.539 ( -4.573 8.894 -27.188) 28.970 66.398 ( -17.578 -0.300 2.448) 17.750 66.574 ( 33.538 -3.970 3.222) 33.926 85.171 ( -0.220 0.309 0.386) 0.541 85.241 ( 1.872 0.005 -2.338) 2.995 85.373 ( -7.594 -4.176 3.337) 9.287 85.418 ( 2.211 -3.138 0.856) 3.933 87.252 ( -0.695 1.046 0.371) 1.309 87.328 ( 1.285 0.899 3.145) 3.514 87.352 ( 2.796 3.040 0.530) 4.164 87.864 ( -8.016 -2.922 -11.550) 14.359 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 2.981 25.386 10.400) 27.595 1.650 ( -3.248 28.247 12.679) 31.132 2.369 ( -7.210 17.870 -16.628) 25.452 2.435 ( 4.279 7.708 -17.414) 19.519 2.744 ( -19.566 8.479 -5.831) 22.107 2.823 ( 4.685 11.546 2.729) 12.756 3.045 ( -6.935 8.461 5.886) 12.423 3.204 ( -6.976 -2.190 6.860) 10.026 3.275 ( 10.541 13.878 2.569) 17.615 3.433 ( 4.440 5.008 3.980) 7.787 3.589 ( -3.129 3.908 -0.526) 5.034 3.669 ( -12.085 -0.502 0.280) 12.099 3.756 ( 1.209 -5.058 -0.689) 5.246 3.833 ( -2.845 3.768 0.343) 4.734 3.951 ( -9.171 -2.258 3.316) 10.011 4.019 ( 0.928 -2.568 4.976) 5.676 4.132 ( -4.017 2.306 -6.194) 7.734 4.158 ( 2.609 -3.078 6.369) 7.540 4.274 ( -14.411 -1.995 -3.590) 14.984 4.310 ( 1.740 8.507 4.062) 9.586 4.443 ( 4.420 -2.646 -1.152) 5.279 4.684 ( 3.849 -3.663 2.069) 5.702 4.726 ( 1.874 3.241 1.002) 3.876 4.786 ( 4.836 -3.315 3.187) 6.673 4.871 ( 4.003 -3.156 -1.782) 5.400 4.964 ( 8.581 -2.877 1.223) 9.133 5.130 ( -0.810 1.815 -0.841) 2.158 5.141 ( 5.121 0.587 -0.699) 5.202 5.238 ( -1.809 3.324 -7.246) 8.175 5.365 ( 7.934 -3.311 -2.758) 9.029 5.437 ( 2.517 -0.232 -4.407) 5.081 5.595 ( 1.614 -4.340 -1.011) 4.739 5.649 ( 7.436 -1.043 -2.055) 7.785 5.678 ( -0.454 -0.359 -2.602) 2.665 5.777 ( -7.641 4.325 2.603) 9.158 5.846 ( 3.522 2.865 -3.211) 5.561 5.969 ( -4.259 0.199 7.098) 8.280 5.972 ( 2.369 1.242 2.194) 3.459 6.038 ( -2.009 4.335 3.999) 6.231 6.153 ( -0.358 5.473 -2.032) 5.849 6.199 ( -0.694 -0.312 0.033) 0.762 6.304 ( -1.399 3.270 0.899) 3.668 6.343 ( -1.260 7.482 -0.452) 7.600 6.382 ( 0.570 -1.062 1.520) 1.940 6.444 ( 5.248 -2.429 -1.228) 5.911 6.490 ( -2.281 0.763 -2.525) 3.487 6.566 ( -4.287 0.794 1.037) 4.481 6.705 ( 1.370 1.315 -1.146) 2.218 6.779 ( -3.952 -3.695 0.057) 5.411 6.835 ( 3.518 -0.170 1.490) 3.825 6.905 ( 1.284 -0.829 -6.010) 6.201 6.931 ( 4.730 -0.399 -1.455) 4.965 7.086 ( -1.634 0.284 -2.374) 2.896 7.132 ( 1.832 2.358 0.326) 3.004 7.231 ( -3.758 -3.227 1.020) 5.057 7.425 ( -6.852 0.113 -2.293) 7.226 7.487 ( 0.017 1.479 1.410) 2.043 7.668 ( 6.435 -1.447 -2.862) 7.190 7.823 ( 3.948 -1.668 0.390) 4.304 7.844 ( 3.173 1.963 0.620) 3.782 7.962 ( -3.630 -1.308 -1.285) 4.067 8.135 ( 2.782 -0.117 -0.725) 2.877 8.262 ( -5.143 -4.026 -0.007) 6.532 8.344 ( 2.234 -2.173 2.261) 3.850 8.448 ( 0.936 -1.556 2.386) 2.998 8.536 ( -7.752 -0.145 -0.425) 7.765 8.689 ( -2.064 -4.906 -0.735) 5.373 8.870 ( 0.095 -4.189 1.692) 4.519 9.052 ( -3.512 -3.533 1.747) 5.280 9.109 ( 8.041 -1.324 2.577) 8.547 9.302 ( 3.546 -7.216 2.532) 8.430 9.500 ( 5.423 -1.736 -0.575) 5.723 10.893 ( 0.376 3.011 -1.886) 3.573 10.935 ( 6.861 2.394 0.654) 7.296 11.080 ( -0.476 1.124 -0.653) 1.384 11.134 ( -1.326 3.418 -1.658) 4.024 11.287 ( -3.560 -5.033 4.507) 7.637 11.440 ( -4.036 -1.096 -2.750) 5.005 11.514 ( -8.415 1.404 1.283) 8.627 11.968 ( -0.349 0.432 -2.267) 2.334 13.621 ( -3.680 -0.740 0.558) 3.794 13.716 ( -3.435 -0.460 -1.464) 3.762 13.812 ( -0.648 -1.802 -2.194) 2.913 13.995 ( 9.444 -1.434 -1.735) 9.708 14.180 ( 3.793 1.616 -0.246) 4.131 14.258 ( 3.378 2.148 0.761) 4.075 14.509 ( 0.526 -1.224 0.796) 1.552 14.568 ( 1.500 2.508 6.932) 7.523 14.636 ( 1.777 -1.044 -4.027) 4.524 14.831 ( -2.642 -1.534 -4.535) 5.468 15.130 ( -2.485 -3.287 3.266) 5.258 15.366 ( 2.265 -7.350 -0.187) 7.693 22.639 ( 2.211 4.231 -0.144) 4.776 22.701 ( 5.358 5.161 -0.239) 7.443 23.199 ( -2.200 -6.915 0.406) 7.268 23.259 ( -1.491 -5.827 -0.481) 6.034 24.085 ( -1.302 14.990 2.333) 15.227 24.300 ( -4.214 14.887 -6.259) 16.690 25.328 ( 0.049 -9.569 4.000) 10.372 25.539 ( 1.934 -15.446 1.141) 15.608 25.786 ( 3.242 -1.095 0.035) 3.422 25.861 ( 4.178 -2.783 -3.282) 5.997 26.185 ( -1.040 -3.402 0.500) 3.593 26.388 ( 7.785 -6.844 -1.599) 10.488 27.040 ( 0.884 0.619 1.450) 1.807 27.165 ( 1.740 0.041 -1.878) 2.561 27.287 ( -0.248 -1.193 0.911) 1.522 27.511 ( 5.060 -5.058 -1.236) 7.261 28.231 ( -1.335 1.327 3.357) 3.849 28.364 ( -1.348 1.510 1.264) 2.387 28.525 ( 0.186 4.739 -0.800) 4.810 28.656 ( 2.555 0.020 -7.176) 7.617 28.970 ( -5.949 3.571 3.003) 7.561 29.229 ( 1.321 5.407 0.421) 5.582 29.464 ( -4.736 -4.856 -2.054) 7.087 29.699 ( -0.247 -3.217 3.097) 4.473 31.975 ( -0.529 -0.327 0.898) 1.092 31.995 ( -1.426 -0.983 0.428) 1.785 32.113 ( -0.287 0.661 -0.836) 1.104 32.126 ( -0.242 0.488 -0.926) 1.074 35.118 ( -0.534 4.258 0.846) 4.374 35.241 ( -0.665 3.298 -3.272) 4.693 35.390 ( -1.015 -0.927 1.453) 2.000 35.457 ( 0.344 -2.630 0.487) 2.697 39.236 ( -0.851 0.965 0.388) 1.344 39.311 ( -0.008 1.672 -0.973) 1.935 39.403 ( 1.433 -1.879 1.059) 2.589 39.455 ( 3.150 -1.122 -0.586) 3.395 46.888 ( 0.028 3.145 0.778) 3.239 46.943 ( 0.149 3.905 -0.912) 4.013 47.324 ( -0.099 -4.678 1.356) 4.872 47.415 ( -0.825 -4.460 -1.635) 4.821 64.513 ( -8.130 21.869 5.101) 23.883 65.326 ( -6.068 25.248 -21.583) 33.766 66.144 ( -8.592 -4.047 4.040) 10.322 67.084 ( 17.775 -21.014 0.066) 27.523 85.176 ( 0.524 0.500 0.336) 0.799 85.268 ( 1.823 0.427 -2.077) 2.796 85.376 ( 6.387 -3.347 -0.704) 7.245 85.492 ( 4.167 -4.113 2.950) 6.556 87.261 ( 1.558 2.121 -0.329) 2.652 87.398 ( 4.645 -0.026 2.175) 5.129 87.445 ( 4.316 -0.933 7.208) 8.453 87.738 ( 2.197 -0.346 -15.919) 16.073 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 4.336 21.539 7.220) 23.127 1.769 ( 9.387 16.212 15.793) 24.502 2.143 ( -8.537 20.050 -7.307) 22.984 2.360 ( -16.828 13.607 -2.712) 21.810 2.444 ( 2.342 6.341 -14.446) 15.949 2.852 ( -15.962 -1.033 4.685) 16.667 2.889 ( 0.226 4.627 0.094) 4.634 3.074 ( -11.368 -2.325 2.855) 11.949 3.287 ( -13.548 -9.156 -4.109) 16.860 3.375 ( 0.302 1.923 0.564) 2.027 3.508 ( -3.526 2.154 -1.054) 4.264 3.626 ( -4.859 -6.214 0.399) 7.898 3.677 ( 1.294 5.872 -1.759) 6.265 3.771 ( -5.459 -1.913 8.299) 10.115 3.862 ( -8.617 0.192 -2.053) 8.860 3.986 ( 0.328 17.427 -3.704) 17.819 4.088 ( 5.942 6.690 -0.792) 8.983 4.210 ( -0.112 2.846 0.578) 2.906 4.288 ( 12.087 -0.493 4.213) 12.809 4.379 ( 3.397 5.548 6.324) 9.073 4.548 ( 4.434 5.923 -0.154) 7.400 4.749 ( 1.610 -0.332 -8.500) 8.657 4.774 ( 2.524 3.886 7.435) 8.760 4.791 ( -2.248 -5.342 1.866) 6.089 4.905 ( 3.219 -2.919 -0.025) 4.346 5.096 ( 1.470 0.821 -4.319) 4.636 5.164 ( 2.083 -1.168 -1.213) 2.678 5.199 ( 0.832 2.256 -1.204) 2.689 5.272 ( 15.217 2.917 -2.376) 15.675 5.451 ( 1.200 -0.823 -4.847) 5.060 5.521 ( -4.600 -2.466 -2.504) 5.788 5.574 ( 2.524 0.215 -3.055) 3.968 5.634 ( -0.452 2.516 2.334) 3.462 5.694 ( 3.597 0.354 -0.158) 3.618 5.732 ( 0.349 0.778 -1.263) 1.524 5.887 ( 2.343 2.827 1.136) 3.843 5.938 ( 0.240 2.099 5.440) 5.836 5.983 ( -1.440 3.434 5.510) 6.650 6.058 ( 0.396 0.657 -0.196) 0.792 6.203 ( 3.781 1.498 1.170) 4.231 6.226 ( -0.363 -2.671 0.926) 2.850 6.294 ( 2.378 6.702 1.066) 7.191 6.308 ( -2.432 3.675 0.875) 4.493 6.382 ( 0.742 0.656 -1.584) 1.868 6.419 ( -3.806 -1.886 -0.635) 4.295 6.499 ( -2.966 1.859 2.033) 4.048 6.581 ( 7.215 1.053 -2.962) 7.870 6.671 ( -5.597 0.198 -0.701) 5.644 6.732 ( -0.791 -3.134 3.617) 4.851 6.873 ( 0.312 -3.882 1.240) 4.087 6.925 ( 4.468 1.241 -4.780) 6.660 7.015 ( -4.956 4.506 0.877) 6.755 7.047 ( 1.160 -0.907 -0.183) 1.484 7.133 ( 0.184 0.068 0.121) 0.231 7.206 ( 0.883 -1.009 -2.865) 3.163 7.314 ( -1.689 -1.277 -0.975) 2.331 7.514 ( 1.450 2.567 2.797) 4.064 7.746 ( -2.569 -0.216 -4.530) 5.213 7.794 ( 2.870 -1.471 -3.516) 4.771 7.850 ( -1.229 -1.648 0.872) 2.233 8.011 ( 5.924 -2.978 -2.532) 7.097 8.138 ( -2.716 -3.102 -1.920) 4.548 8.169 ( -2.861 -0.497 1.715) 3.372 8.372 ( -3.034 -1.714 -3.232) 4.753 8.387 ( -1.473 -2.107 1.335) 2.897 8.511 ( 0.682 -5.247 4.921) 7.226 8.606 ( -5.661 -4.088 0.823) 7.031 8.861 ( -3.261 -3.068 4.971) 6.690 9.033 ( 1.912 -1.949 -1.069) 2.932 9.219 ( 2.643 -2.230 -0.306) 3.471 9.404 ( 5.707 -3.379 0.474) 6.650 9.593 ( 4.534 0.454 -1.003) 4.665 10.899 ( 1.001 2.567 -0.355) 2.779 10.973 ( -3.077 0.016 -4.322) 5.305 11.088 ( 5.023 1.230 0.420) 5.188 11.170 ( 1.692 -0.286 1.404) 2.217 11.221 ( -4.229 -2.483 5.650) 7.482 11.371 ( -2.512 3.307 -0.282) 4.162 11.402 ( -4.638 -1.956 1.179) 5.170 11.922 ( -3.558 3.529 -3.523) 6.126 13.615 ( 2.497 -3.464 1.782) 4.627 13.676 ( -0.325 -2.505 -0.846) 2.664 13.766 ( -3.121 -4.187 -1.428) 5.414 14.109 ( 3.537 -1.520 0.906) 3.955 14.243 ( 2.997 -0.565 -3.293) 4.489 14.335 ( 4.267 0.874 1.364) 4.564 14.495 ( -1.489 -1.608 -3.289) 3.952 14.603 ( 0.686 1.663 0.877) 2.002 14.670 ( 2.711 -1.383 2.138) 3.720 14.792 ( -0.755 -0.448 -2.126) 2.300 15.108 ( -1.441 -4.039 3.182) 5.340 15.385 ( 0.205 -9.331 -1.018) 9.389 22.693 ( 3.267 3.262 0.297) 4.627 22.807 ( 5.769 5.076 -0.626) 7.709 23.150 ( -3.016 -5.943 0.240) 6.669 23.225 ( -1.816 -3.536 -0.273) 3.985 24.064 ( -1.978 14.767 2.041) 15.038 24.207 ( -2.787 15.945 -3.763) 16.619 25.336 ( -0.761 -11.319 1.178) 11.405 25.561 ( 0.673 -16.869 0.354) 16.886 25.866 ( 4.570 -1.812 0.515) 4.943 25.962 ( 5.929 -4.963 -0.427) 7.743 26.178 ( 0.431 -1.638 2.095) 2.694 26.534 ( 8.208 -8.297 -2.134) 11.865 27.061 ( 0.568 -0.338 1.260) 1.423 27.196 ( 2.125 -0.489 0.051) 2.181 27.290 ( 0.507 0.667 -1.269) 1.521 27.586 ( 3.488 -7.023 -1.523) 7.988 28.214 ( -1.519 0.787 1.617) 2.354 28.316 ( -3.038 0.650 -1.004) 3.265 28.558 ( 2.441 6.128 1.592) 6.785 28.699 ( 3.969 0.443 -2.611) 4.771 28.866 ( -5.329 2.135 -0.412) 5.756 29.148 ( -7.202 4.844 -4.759) 9.899 29.455 ( 2.673 -2.736 1.059) 3.968 29.655 ( -5.444 1.009 3.844) 6.740 31.969 ( -1.444 -0.696 0.757) 1.773 31.971 ( -0.528 -0.482 0.875) 1.130 32.096 ( -0.826 0.815 -1.095) 1.596 32.118 ( -0.112 -0.219 -1.053) 1.081 35.112 ( -0.558 4.238 0.909) 4.370 35.212 ( -0.872 4.048 -1.893) 4.553 35.390 ( 0.230 -0.896 0.724) 1.175 35.462 ( -0.119 -2.650 0.391) 2.682 39.223 ( -0.631 1.310 0.428) 1.516 39.305 ( -0.051 2.012 -0.982) 2.239 39.439 ( 1.527 -2.505 1.395) 3.248 39.514 ( 3.244 -2.185 -1.004) 4.038 46.892 ( -0.024 3.114 0.788) 3.213 46.943 ( 0.246 3.888 -0.872) 3.993 47.327 ( -0.211 -4.779 1.172) 4.925 47.394 ( -0.547 -4.190 -1.201) 4.393 64.392 ( -7.031 23.072 5.480) 24.734 65.122 ( -5.164 32.331 -15.133) 36.069 66.121 ( 2.249 -9.491 4.058) 10.565 67.235 ( 1.082 -22.945 -2.474) 23.103 85.191 ( 0.800 0.836 0.454) 1.243 85.299 ( 2.569 0.813 -2.372) 3.590 85.508 ( 6.614 -5.118 -0.488) 8.377 85.573 ( 3.013 -3.929 2.309) 5.463 87.297 ( 2.510 1.661 -1.367) 3.306 87.471 ( 1.813 0.938 -0.089) 2.043 87.557 ( 2.363 -4.369 11.060) 12.125 87.796 ( 11.346 -8.366 -12.980) 19.163 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 4.695 11.970 -1.263) 12.920 1.974 ( -4.770 17.401 11.423) 21.355 2.060 ( 5.083 18.972 6.092) 20.564 2.142 ( -3.956 13.611 8.801) 16.684 2.322 ( -8.706 -2.347 -14.083) 16.722 2.658 ( 0.439 -1.766 2.276) 2.914 2.818 ( -5.858 -0.565 -1.510) 6.076 2.944 ( -2.596 3.983 1.543) 4.998 3.095 ( -3.074 -10.552 -5.102) 12.117 3.372 ( -2.219 0.821 1.738) 2.936 3.422 ( -6.127 7.240 -6.946) 11.757 3.514 ( -4.988 -1.542 1.737) 5.502 3.670 ( 4.999 -3.156 -6.083) 8.482 3.743 ( -3.675 1.330 6.399) 7.498 3.803 ( 2.512 -6.896 1.155) 7.430 4.028 ( 2.252 17.109 0.068) 17.257 4.174 ( 0.510 -2.766 -1.373) 3.130 4.191 ( -4.648 12.396 -0.310) 13.242 4.328 ( 2.802 -3.594 -1.620) 4.837 4.513 ( -1.401 7.825 0.525) 7.967 4.565 ( -4.091 4.236 2.770) 6.508 4.740 ( 3.502 5.362 -8.490) 10.634 4.767 ( 2.079 -5.329 -2.565) 6.269 4.909 ( 7.200 5.769 1.597) 9.363 5.034 ( 6.189 6.046 4.726) 9.859 5.087 ( -0.468 2.064 -0.537) 2.184 5.162 ( -4.287 0.269 0.943) 4.397 5.211 ( 4.338 -1.052 -4.148) 6.093 5.399 ( -3.548 0.220 0.508) 3.591 5.453 ( 1.245 -0.532 -5.413) 5.580 5.460 ( -3.813 5.353 2.201) 6.931 5.513 ( 8.698 4.353 0.151) 9.728 5.699 ( -1.061 0.354 1.462) 1.841 5.762 ( 3.274 -0.690 3.079) 4.547 5.828 ( 7.686 1.665 3.667) 8.677 5.938 ( -3.681 0.922 3.020) 4.850 5.995 ( 0.274 7.173 3.475) 7.975 6.018 ( 4.779 -4.485 -3.228) 7.306 6.036 ( 2.350 3.061 1.509) 4.144 6.195 ( -1.936 2.161 3.703) 4.705 6.234 ( -5.965 4.179 -0.642) 7.312 6.287 ( -6.074 -1.752 -1.499) 6.497 6.290 ( 5.778 -2.926 3.132) 7.194 6.383 ( 0.619 1.162 1.963) 2.363 6.408 ( 1.790 1.415 -4.366) 4.926 6.479 ( -0.002 3.806 2.710) 4.673 6.542 ( -2.503 2.890 -0.554) 3.864 6.622 ( -3.611 -2.929 -3.665) 5.920 6.781 ( 2.564 -2.551 3.465) 5.009 6.850 ( -3.331 -2.546 -1.853) 4.584 6.928 ( -2.283 4.488 1.140) 5.162 6.984 ( -1.063 1.943 -3.094) 3.805 7.024 ( 2.276 -1.548 -1.292) 3.041 7.146 ( 0.987 -2.178 4.375) 4.986 7.235 ( 3.518 -2.110 -1.969) 4.550 7.318 ( -0.435 1.115 -0.241) 1.220 7.524 ( -2.377 4.482 -0.668) 5.117 7.674 ( 1.736 -1.469 -4.631) 5.159 7.796 ( -3.184 -0.944 -1.548) 3.664 7.889 ( 4.487 -1.985 1.796) 5.224 8.035 ( 0.313 -5.002 -3.832) 6.309 8.122 ( -1.041 -5.934 0.579) 6.053 8.175 ( 5.130 -0.907 -3.569) 6.315 8.328 ( 0.628 2.718 1.777) 3.307 8.417 ( 1.231 -5.472 2.566) 6.168 8.495 ( -5.208 -2.962 -1.729) 6.236 8.525 ( -1.414 -6.113 2.938) 6.928 8.735 ( -10.107 -7.618 1.472) 12.741 9.148 ( 8.289 1.725 1.321) 8.569 9.238 ( -1.017 -0.603 2.311) 2.596 9.458 ( 0.473 1.254 -2.161) 2.543 9.632 ( 0.385 1.132 -3.967) 4.143 10.911 ( 0.583 2.847 1.516) 3.278 10.965 ( 3.016 -1.499 2.468) 4.175 11.111 ( -0.469 -1.536 0.303) 1.634 11.178 ( -1.031 -2.909 -0.501) 3.127 11.247 ( 1.443 4.127 0.675) 4.424 11.306 ( -2.677 2.098 2.826) 4.422 11.358 ( -2.707 -3.861 0.567) 4.749 11.829 ( -2.440 4.421 -7.373) 8.936 13.679 ( -2.062 -7.509 -0.216) 7.790 13.685 ( 1.796 -5.918 -1.419) 6.345 13.723 ( 2.611 -2.289 5.125) 6.191 14.152 ( 0.706 -1.270 1.936) 2.421 14.238 ( -0.659 -0.082 -5.589) 5.628 14.414 ( 2.213 0.101 1.643) 2.758 14.460 ( 0.842 -0.872 -3.812) 4.000 14.633 ( 2.005 1.425 0.058) 2.461 14.690 ( -3.210 -4.776 4.036) 7.029 14.781 ( 1.717 2.137 -3.579) 4.508 15.113 ( -0.089 -5.717 4.579) 7.325 15.374 ( -0.337 -10.553 -1.586) 10.677 22.747 ( 1.900 2.655 1.067) 3.435 22.883 ( 2.413 5.007 -1.305) 5.709 23.107 ( -1.347 -4.798 0.833) 5.053 23.195 ( -1.053 -2.151 -0.584) 2.465 24.040 ( -1.411 14.513 1.492) 14.658 24.165 ( -0.125 16.114 -2.407) 16.293 25.330 ( -0.032 -12.185 1.079) 12.233 25.553 ( -1.431 -17.892 -2.393) 18.108 25.938 ( 2.398 -2.277 2.018) 3.874 26.044 ( 3.591 -2.669 -1.449) 4.703 26.211 ( -0.100 -3.805 6.123) 7.209 26.638 ( 3.802 -9.643 -3.011) 10.794 27.073 ( 0.038 -0.245 1.472) 1.492 27.238 ( 1.338 -1.547 1.353) 2.453 27.295 ( 1.370 1.490 -0.570) 2.102 27.619 ( 0.940 -7.860 -2.039) 8.174 28.196 ( -0.982 0.451 0.626) 1.249 28.274 ( -0.756 0.349 -0.774) 1.137 28.601 ( 0.520 8.145 1.664) 8.330 28.736 ( 0.592 2.670 -1.766) 3.256 28.797 ( -1.554 0.751 -0.899) 1.946 29.018 ( -1.455 1.816 -8.416) 8.732 29.498 ( -1.504 2.369 4.990) 5.725 29.579 ( -2.331 1.214 1.095) 2.848 31.950 ( -0.859 -0.426 0.931) 1.337 31.971 ( -0.140 -0.627 0.960) 1.155 32.079 ( -0.279 0.758 -1.234) 1.474 32.111 ( 0.077 -0.539 -1.269) 1.381 35.108 ( -0.410 4.217 0.987) 4.351 35.195 ( 0.003 4.204 -1.360) 4.418 35.400 ( 0.402 -1.124 0.764) 1.417 35.457 ( -0.410 -2.492 -0.064) 2.527 39.218 ( -0.189 1.537 0.621) 1.668 39.299 ( -0.022 2.163 -1.237) 2.492 39.465 ( 0.372 -2.722 1.610) 3.185 39.555 ( 1.646 -2.873 -0.998) 3.458 46.894 ( -0.202 3.132 0.697) 3.215 46.944 ( 0.333 3.869 -0.727) 3.951 47.327 ( -0.358 -4.873 0.892) 4.967 47.385 ( 0.105 -4.165 -0.833) 4.248 64.326 ( -3.204 23.784 6.254) 24.800 65.016 ( 1.312 32.433 -12.481) 34.776 66.212 ( 3.382 -12.361 8.260) 15.247 67.159 ( -5.214 -20.198 -8.062) 22.363 85.205 ( 0.313 1.065 0.617) 1.270 85.328 ( 1.767 0.714 -3.219) 3.741 85.567 ( -1.207 -3.942 4.062) 5.787 85.641 ( 4.212 -4.318 -1.188) 6.148 87.329 ( 1.687 0.922 -2.004) 2.777 87.469 ( -0.686 1.405 -3.540) 3.870 87.614 ( -2.482 -6.094 10.912) 12.743 87.978 ( 11.989 -15.645 -4.952) 20.323 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -14.679 14.565 0.131) 20.679 1.805 ( -16.075 16.777 3.852) 23.552 2.240 ( 9.452 15.274 10.483) 20.797 2.262 ( 11.317 13.072 9.005) 19.494 2.372 ( 18.063 0.520 -7.386) 19.521 2.711 ( 2.483 -4.617 -3.662) 6.395 2.868 ( 5.565 0.826 3.403) 6.575 2.991 ( 11.273 0.795 2.230) 11.519 3.109 ( 5.619 -7.156 -3.931) 9.911 3.211 ( -6.551 7.503 -8.897) 13.356 3.365 ( -0.763 0.614 -1.661) 1.928 3.543 ( 3.444 0.850 2.824) 4.534 3.673 ( -1.556 0.990 -3.857) 4.275 3.745 ( 0.141 -3.937 4.458) 5.949 3.868 ( 4.150 -0.824 -0.619) 4.276 3.983 ( -7.708 7.945 0.283) 11.073 4.095 ( -2.136 14.247 -0.701) 14.424 4.207 ( 3.187 -5.291 -1.147) 6.283 4.358 ( -3.109 -1.184 -0.400) 3.351 4.404 ( -9.399 14.143 -0.789) 17.000 4.495 ( -0.651 -1.424 -1.838) 2.414 4.627 ( -6.581 8.858 -6.395) 12.754 4.812 ( -1.726 -6.200 2.234) 6.813 4.955 ( 1.760 0.668 -1.253) 2.262 5.024 ( -7.876 1.160 -2.965) 8.495 5.118 ( -0.983 0.149 0.462) 1.096 5.147 ( 7.850 1.665 -0.879) 8.073 5.300 ( 4.380 -6.832 -1.882) 8.331 5.431 ( -1.471 5.507 1.468) 5.886 5.438 ( 3.568 9.327 7.284) 12.360 5.467 ( 0.207 1.909 -1.251) 2.292 5.630 ( 1.597 4.444 0.126) 4.724 5.651 ( -2.225 2.204 -0.507) 3.173 5.787 ( -4.462 2.207 4.221) 6.527 5.854 ( 0.510 -0.164 0.098) 0.545 5.914 ( -6.059 5.544 -0.516) 8.229 5.934 ( -5.668 0.689 3.857) 6.891 6.027 ( -0.561 2.257 1.873) 2.986 6.107 ( -3.160 -4.634 -1.984) 5.949 6.148 ( 0.819 -4.229 0.820) 4.385 6.187 ( 3.997 -0.959 1.713) 4.453 6.314 ( 2.573 4.509 2.166) 5.625 6.321 ( -1.097 0.647 0.531) 1.379 6.400 ( 2.088 1.230 1.514) 2.858 6.410 ( -0.525 2.880 0.132) 2.930 6.481 ( -2.361 -0.502 -0.645) 2.499 6.591 ( 7.116 2.628 0.346) 7.594 6.609 ( 4.681 2.232 1.785) 5.484 6.736 ( -4.262 0.755 -2.237) 4.872 6.791 ( -1.385 -0.851 -1.880) 2.485 6.930 ( 0.512 -0.530 1.519) 1.688 6.963 ( -0.008 0.129 -4.396) 4.398 7.081 ( 3.649 0.899 4.838) 6.126 7.205 ( 0.258 4.557 1.847) 4.924 7.271 ( -1.185 -0.220 -0.079) 1.208 7.301 ( 3.554 -1.699 -1.220) 4.124 7.453 ( -1.979 2.935 -2.419) 4.287 7.725 ( 2.352 -0.895 -6.293) 6.778 7.763 ( 0.239 -1.922 -1.182) 2.269 7.926 ( 1.787 -5.380 -0.891) 5.739 7.983 ( -5.199 -4.123 -2.714) 7.169 8.184 ( -2.274 -4.498 -1.922) 5.394 8.231 ( 8.432 -1.645 7.912) 11.679 8.333 ( -4.945 -2.966 -0.281) 5.773 8.383 ( -0.120 -5.048 -1.043) 5.156 8.478 ( 3.732 -1.570 1.896) 4.471 8.563 ( 3.181 -2.771 0.194) 4.223 8.604 ( -1.830 -7.620 -1.524) 7.983 9.184 ( -5.146 3.577 3.661) 7.258 9.299 ( 4.624 -0.606 4.237) 6.301 9.388 ( -7.163 0.408 -5.014) 8.753 9.576 ( -2.583 -0.770 -5.934) 6.518 10.977 ( 2.940 6.320 5.385) 8.808 11.049 ( 3.724 -0.421 3.689) 5.258 11.092 ( -1.166 -3.238 -0.232) 3.449 11.160 ( -0.251 -2.144 -0.120) 2.162 11.234 ( -3.519 7.664 -0.725) 8.465 11.272 ( -0.101 -3.239 -1.058) 3.409 11.347 ( 1.940 -3.095 2.692) 4.537 11.784 ( 1.506 2.849 -8.857) 9.425 13.610 ( -3.408 -7.570 -0.124) 8.303 13.713 ( 1.431 -6.156 -0.259) 6.326 13.824 ( 3.567 -2.389 6.349) 7.665 14.152 ( -1.188 -3.155 -0.309) 3.386 14.203 ( -0.156 3.851 -4.010) 5.563 14.394 ( -1.433 -0.161 -6.614) 6.769 14.473 ( -2.514 -3.442 3.814) 5.719 14.627 ( -2.977 1.389 2.575) 4.174 14.694 ( 3.653 -2.458 0.695) 4.457 14.792 ( 1.013 1.702 -3.357) 3.898 15.145 ( 0.457 -8.160 5.732) 9.983 15.361 ( -0.191 -10.607 -2.390) 10.875 22.761 ( -1.308 3.143 1.696) 3.803 22.869 ( -2.699 3.509 -1.920) 4.825 23.121 ( 1.884 -3.468 1.343) 4.169 23.188 ( 0.855 -2.644 -0.961) 2.940 24.031 ( -0.171 14.628 1.079) 14.669 24.180 ( 2.981 15.806 -1.868) 16.192 25.346 ( 0.308 -12.712 2.079) 12.884 25.500 ( -1.637 -16.519 -3.919) 17.056 25.949 ( -2.483 -2.880 1.626) 4.136 26.091 ( 2.208 -0.963 -1.927) 3.085 26.217 ( -2.893 -5.569 8.820) 10.825 26.629 ( -2.907 -9.733 -3.862) 10.867 27.077 ( -0.506 0.328 1.796) 1.895 27.236 ( -0.992 1.489 -0.966) 2.033 27.345 ( 1.799 -4.208 3.786) 5.940 27.598 ( -1.764 -7.868 -3.611) 8.835 28.183 ( -0.902 0.927 0.014) 1.294 28.279 ( 1.616 0.692 -0.621) 1.865 28.579 ( -2.642 7.834 1.096) 8.339 28.746 ( 1.405 3.322 -0.694) 3.674 28.783 ( 1.320 1.429 -2.261) 2.983 29.031 ( 6.455 1.621 -8.800) 11.033 29.437 ( -5.856 5.789 4.654) 9.459 29.597 ( 1.725 -0.870 1.537) 2.469 31.950 ( 0.367 -0.429 0.931) 1.089 31.974 ( -0.114 -0.636 1.089) 1.267 32.077 ( 0.796 0.779 -1.311) 1.720 32.109 ( 0.317 -0.460 -1.355) 1.466 35.107 ( -0.176 4.222 0.944) 4.330 35.198 ( 0.917 4.188 -1.287) 4.477 35.411 ( 0.234 -1.380 1.259) 1.883 35.448 ( -0.409 -2.301 -0.524) 2.395 39.222 ( 0.220 1.505 0.815) 1.726 39.293 ( 0.085 2.081 -1.445) 2.535 39.466 ( -1.102 -2.476 1.519) 3.107 39.562 ( -0.438 -3.309 -0.776) 3.427 46.892 ( -0.352 3.179 0.584) 3.251 46.947 ( 0.376 3.801 -0.583) 3.864 47.323 ( -0.465 -4.866 0.702) 4.938 47.390 ( 0.772 -4.222 -0.629) 4.338 64.334 ( 0.643 24.277 6.408) 25.117 65.053 ( 9.477 31.201 -11.905) 34.714 66.287 ( -2.056 -13.654 12.688) 18.752 67.004 ( -4.841 -16.364 -14.025) 22.089 85.206 ( -0.517 1.040 0.700) 1.356 85.326 ( -0.249 0.564 -3.402) 3.457 85.532 ( -3.857 -2.729 2.492) 5.342 85.694 ( 1.239 -5.818 0.825) 6.006 87.334 ( -0.099 0.629 -1.902) 2.005 87.420 ( -2.448 0.729 -3.786) 4.567 87.573 ( -6.662 -4.891 7.768) 11.342 88.150 ( 7.249 -20.118 0.161) 21.384 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -8.469 20.943 0.418) 22.595 1.629 ( -7.195 26.433 9.387) 28.958 2.392 ( 9.332 14.226 -4.177) 17.519 2.605 ( 16.206 10.502 8.956) 21.287 2.711 ( 2.021 5.434 -3.650) 6.851 2.785 ( 19.997 4.439 3.289) 20.746 2.919 ( -0.253 1.787 -2.667) 3.220 3.086 ( 0.556 2.851 -1.473) 3.257 3.225 ( 7.313 5.246 -6.904) 11.343 3.284 ( 6.480 -0.968 -4.212) 7.789 3.383 ( 9.597 -3.162 -0.119) 10.106 3.580 ( -0.204 2.372 2.875) 3.733 3.721 ( 7.019 0.763 0.058) 7.061 3.756 ( -2.762 3.327 2.065) 4.792 3.819 ( -0.354 1.642 -0.968) 1.939 3.980 ( -2.919 8.811 -0.210) 9.285 3.998 ( -0.542 -2.166 5.636) 6.062 4.130 ( -9.614 2.414 -3.411) 10.483 4.226 ( -3.223 0.171 1.563) 3.586 4.362 ( -0.818 2.413 4.167) 4.884 4.514 ( -1.364 -2.010 -4.383) 5.011 4.582 ( 7.988 -2.807 -2.841) 8.931 4.783 ( -3.554 -4.719 3.191) 6.714 4.872 ( -6.158 3.849 -3.678) 8.140 4.951 ( -1.944 -2.047 -2.536) 3.795 5.005 ( -7.302 -4.557 1.478) 8.733 5.220 ( -11.472 5.026 -0.093) 12.525 5.303 ( 0.366 1.319 -1.075) 1.741 5.389 ( 0.761 -2.432 -3.286) 4.158 5.472 ( 4.812 5.790 -3.175) 8.171 5.530 ( -0.596 5.171 4.005) 6.568 5.614 ( -3.680 4.145 3.054) 6.329 5.651 ( 3.341 -2.381 -4.243) 5.902 5.719 ( -1.751 4.978 -0.154) 5.279 5.759 ( -4.883 2.225 -0.207) 5.370 5.828 ( -6.521 -1.137 1.444) 6.775 5.922 ( 1.860 1.377 2.640) 3.511 6.008 ( -4.910 -1.965 -1.337) 5.455 6.039 ( 1.129 1.469 2.421) 3.048 6.136 ( -1.162 -0.067 2.477) 2.736 6.251 ( -4.263 -2.270 -0.601) 4.867 6.312 ( 2.599 1.279 3.822) 4.795 6.336 ( -3.077 1.981 -0.841) 3.755 6.393 ( 0.234 -1.239 -0.481) 1.349 6.437 ( 2.663 3.439 0.112) 4.351 6.523 ( 3.553 1.287 4.785) 6.098 6.643 ( 2.875 6.664 -0.313) 7.265 6.683 ( -2.159 2.290 1.752) 3.602 6.766 ( 7.119 -0.530 0.522) 7.158 6.806 ( 2.120 0.005 -0.502) 2.179 6.913 ( -1.990 -3.356 -2.892) 4.856 6.966 ( 2.444 1.889 -0.393) 3.113 7.125 ( -0.012 4.101 -1.107) 4.247 7.150 ( -3.611 -0.518 1.959) 4.141 7.292 ( -0.474 -1.594 1.172) 2.034 7.405 ( 6.694 1.749 1.629) 7.108 7.478 ( 4.466 2.814 2.362) 5.784 7.654 ( -5.440 -4.020 -10.097) 12.153 7.712 ( -1.785 -2.265 -3.733) 4.717 7.878 ( -4.951 -0.014 -1.749) 5.251 8.022 ( 2.431 -6.471 1.397) 7.052 8.107 ( 4.484 1.417 -0.647) 4.747 8.217 ( -6.103 -4.258 -4.129) 8.510 8.374 ( -1.352 -1.694 0.625) 2.256 8.421 ( 1.360 -5.476 1.582) 5.860 8.564 ( 6.640 -1.860 -1.319) 7.021 8.610 ( 3.995 -1.850 8.742) 9.788 8.694 ( 7.310 -7.905 0.819) 10.798 9.081 ( -7.010 3.079 -2.521) 8.061 9.173 ( -10.951 -2.035 -2.490) 11.414 9.360 ( -0.342 -1.252 4.867) 5.037 9.499 ( -3.136 -2.762 -4.888) 6.431 10.961 ( -3.275 2.773 -0.603) 4.333 11.047 ( -7.327 0.195 -1.402) 7.462 11.101 ( -1.629 3.200 0.062) 3.592 11.181 ( 1.379 -2.052 1.145) 2.725 11.203 ( 5.607 1.684 4.912) 7.642 11.377 ( 6.395 -1.924 1.128) 6.773 11.435 ( 7.974 1.995 5.379) 9.824 11.779 ( 3.148 0.456 -9.670) 10.179 13.569 ( -0.927 -6.139 0.037) 6.209 13.736 ( 1.147 -4.303 0.623) 4.497 13.897 ( 0.948 -2.192 4.333) 4.948 14.125 ( -0.219 -0.884 -3.610) 3.723 14.166 ( -3.328 3.585 -2.150) 5.343 14.312 ( -4.619 -2.783 -2.273) 5.852 14.422 ( -2.734 -1.862 1.293) 3.551 14.592 ( -2.467 3.403 1.864) 4.598 14.716 ( -1.610 -1.598 -3.966) 4.569 14.843 ( 5.607 0.285 1.563) 5.828 15.174 ( -0.642 -9.258 5.725) 10.904 15.337 ( -0.955 -9.460 -3.372) 10.088 22.721 ( -3.555 4.309 1.522) 5.790 22.786 ( -4.992 2.768 -1.710) 5.959 23.167 ( 2.221 -4.188 0.816) 4.810 23.216 ( 2.414 -4.559 -0.666) 5.201 24.043 ( 0.825 14.782 0.965) 14.836 24.254 ( 6.006 15.057 -2.277) 16.370 25.335 ( -2.231 -11.835 1.610) 12.150 25.484 ( 0.944 -15.567 -1.617) 15.679 25.880 ( -4.988 -0.726 0.723) 5.092 26.084 ( -2.083 -2.621 -0.435) 3.376 26.211 ( -2.413 -6.846 7.307) 10.300 26.508 ( -7.444 -8.950 -4.476) 12.472 27.070 ( -1.330 1.324 2.162) 2.863 27.204 ( -1.682 1.688 -1.804) 2.988 27.365 ( -1.880 -6.281 4.461) 7.929 27.521 ( -3.748 -5.922 -5.933) 9.183 28.165 ( -0.427 2.150 -0.268) 2.208 28.314 ( 1.874 1.243 -0.590) 2.325 28.560 ( -0.028 7.037 2.149) 7.358 28.765 ( 1.140 4.144 -2.410) 4.928 28.822 ( 3.120 -1.306 -0.014) 3.382 29.153 ( 11.870 3.444 -8.648) 15.084 29.351 ( -5.688 4.979 3.370) 8.277 29.632 ( 0.741 -1.106 2.626) 2.945 31.970 ( 1.298 -0.696 0.807) 1.679 31.976 ( -0.157 -0.537 1.083) 1.219 32.094 ( 1.610 0.891 -1.199) 2.196 32.109 ( 0.414 -0.007 -1.280) 1.346 35.111 ( 0.098 4.280 0.834) 4.362 35.215 ( 1.699 3.965 -1.740) 4.651 35.421 ( 0.007 -1.766 1.983) 2.656 35.439 ( -0.119 -2.197 -0.722) 2.316 39.233 ( 0.412 1.239 0.880) 1.575 39.290 ( 0.428 1.769 -1.465) 2.337 39.442 ( -2.079 -1.906 1.218) 3.073 39.531 ( -2.515 -3.388 -0.504) 4.250 46.887 ( -0.368 3.210 0.544) 3.277 46.951 ( 0.254 3.691 -0.545) 3.740 47.318 ( -0.437 -4.753 0.717) 4.826 47.406 ( 1.339 -4.366 -0.703) 4.620 64.408 ( 4.061 24.448 5.695) 25.428 65.263 ( 20.773 28.212 -13.638) 37.595 66.220 ( -11.345 -11.669 9.131) 18.662 66.866 ( -3.696 -11.122 -11.808) 16.637 85.195 ( -1.026 0.790 0.661) 1.453 85.289 ( -1.849 0.541 -2.676) 3.298 85.466 ( -3.809 -2.431 0.453) 4.541 85.680 ( -4.202 -8.650 2.607) 9.964 87.311 ( -1.450 0.773 -0.977) 1.911 87.353 ( -2.958 0.185 -2.297) 3.750 87.467 ( -7.282 -1.495 3.731) 8.318 88.213 ( -1.337 -21.646 0.334) 21.690 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 3.297 28.627 4.549) 29.173 1.611 ( -0.082 31.696 9.391) 33.058 2.530 ( 6.413 16.112 -8.890) 19.487 2.583 ( -3.451 1.723 -13.491) 14.032 2.823 ( -3.543 30.482 4.963) 31.086 2.881 ( -3.387 14.847 -4.741) 15.950 3.089 ( 6.886 5.748 5.565) 10.556 3.189 ( 7.987 11.510 11.321) 18.013 3.239 ( 10.108 -0.392 -5.339) 11.438 3.347 ( 2.320 -3.602 -1.881) 4.679 3.549 ( 3.983 -1.497 -5.755) 7.157 3.584 ( -1.825 2.701 2.610) 4.176 3.720 ( -0.220 -5.581 -2.197) 6.002 3.885 ( -3.771 3.562 8.905) 10.305 3.905 ( 9.766 -5.304 0.793) 11.141 3.979 ( 4.870 -5.599 2.344) 7.782 4.030 ( 3.097 0.127 2.783) 4.166 4.060 ( 3.132 -5.114 3.612) 7.000 4.221 ( 3.539 1.747 0.922) 4.054 4.377 ( 5.012 -2.891 -2.445) 6.282 4.493 ( 2.945 3.212 -4.710) 6.417 4.710 ( 0.501 -0.986 -0.895) 1.422 4.729 ( -6.018 3.581 2.643) 7.485 4.734 ( -3.730 -5.987 2.463) 7.472 4.830 ( -10.581 0.968 -2.489) 10.913 4.948 ( 2.415 -3.932 1.290) 4.791 5.030 ( -8.221 1.088 -2.559) 8.679 5.204 ( -3.027 -1.034 -4.013) 5.131 5.392 ( -1.293 -1.188 -0.039) 1.756 5.450 ( -7.375 2.474 -0.088) 7.779 5.488 ( -1.822 -0.264 -4.291) 4.670 5.543 ( -6.666 0.967 2.800) 7.294 5.666 ( 0.632 -1.382 -3.955) 4.237 5.679 ( 0.504 0.680 -2.785) 2.910 5.803 ( 3.226 -0.576 -0.079) 3.278 5.815 ( 1.287 2.578 3.863) 4.819 5.910 ( -0.424 2.977 1.139) 3.216 5.944 ( -0.753 1.115 0.566) 1.459 6.070 ( -0.137 3.116 1.107) 3.309 6.156 ( 0.497 3.181 0.591) 3.273 6.201 ( 2.054 -1.193 0.353) 2.401 6.263 ( -2.572 4.136 0.010) 4.871 6.301 ( -2.972 1.515 0.710) 3.411 6.419 ( 0.485 -0.302 -0.324) 0.657 6.498 ( 0.717 1.358 0.864) 1.762 6.567 ( 2.018 0.298 -0.330) 2.067 6.626 ( -3.440 2.192 0.223) 4.085 6.723 ( 2.622 6.826 0.574) 7.335 6.805 ( -0.979 1.603 0.534) 1.953 6.859 ( 1.873 -2.251 1.341) 3.220 6.886 ( -0.373 -3.194 -1.234) 3.444 7.011 ( 2.889 1.479 -2.614) 4.167 7.112 ( -0.804 -0.990 -1.589) 2.037 7.157 ( 2.416 0.298 -0.733) 2.542 7.234 ( -4.415 -7.756 4.808) 10.137 7.437 ( -0.982 0.786 -4.403) 4.579 7.490 ( -2.963 -4.029 -1.969) 5.376 7.660 ( 7.602 4.950 -0.141) 9.073 7.689 ( -2.662 -1.086 -1.104) 3.079 7.805 ( 1.373 3.828 -0.007) 4.067 7.950 ( -7.579 1.106 -4.673) 8.972 8.177 ( 2.557 -6.843 1.851) 7.536 8.274 ( 6.187 0.943 -0.542) 6.282 8.323 ( -1.339 -2.369 1.348) 3.037 8.395 ( -0.589 -3.552 -0.864) 3.703 8.652 ( -0.617 -4.312 4.429) 6.212 8.672 ( 2.239 1.422 1.043) 2.850 8.790 ( -5.064 -8.013 -4.182) 10.360 8.978 ( 5.720 -2.811 3.727) 7.383 9.077 ( -1.523 1.260 2.538) 3.217 9.327 ( -6.300 -1.677 3.984) 7.640 9.429 ( -0.936 -4.807 -4.097) 6.385 10.884 ( -4.613 2.892 -1.555) 5.662 10.929 ( -2.920 1.232 -0.171) 3.174 11.072 ( -1.763 6.687 0.054) 6.916 11.231 ( 2.454 -5.023 0.350) 5.601 11.258 ( -0.067 0.366 1.654) 1.695 11.485 ( 4.359 -3.129 0.189) 5.369 11.604 ( 3.213 2.468 4.280) 5.893 11.869 ( 11.880 -2.819 -6.034) 13.619 13.583 ( 3.115 -1.779 -0.421) 3.612 13.762 ( 1.010 -2.881 0.215) 3.061 13.883 ( -2.993 -1.495 -1.228) 3.564 14.033 ( -7.659 2.207 -6.061) 10.014 14.123 ( -0.235 2.841 1.895) 3.423 14.233 ( -3.928 -0.877 3.267) 5.183 14.414 ( 1.303 -1.452 1.158) 2.269 14.555 ( -2.262 4.107 1.410) 4.896 14.650 ( -2.258 1.167 -4.297) 4.992 14.943 ( 3.410 -3.006 -0.205) 4.550 15.169 ( -2.415 -6.991 4.798) 8.816 15.303 ( -0.581 -6.860 -2.242) 7.241 22.662 ( -3.153 4.952 0.826) 5.929 22.685 ( -4.572 3.753 -1.082) 6.013 23.205 ( 1.422 -5.843 0.625) 6.046 23.257 ( 2.077 -6.747 -0.597) 7.085 24.067 ( 1.002 14.753 1.365) 14.850 24.357 ( 6.133 13.300 -4.950) 15.460 25.314 ( -1.224 -11.269 4.456) 12.179 25.482 ( -0.720 -12.459 -0.817) 12.507 25.790 ( -4.964 -0.337 0.142) 4.978 26.051 ( -1.160 -2.571 -1.091) 3.024 26.151 ( -6.775 -9.151 2.038) 11.567 26.364 ( -4.362 -5.944 -2.688) 7.847 27.044 ( -2.534 3.103 2.235) 4.588 27.165 ( -0.994 0.990 -2.505) 2.871 27.335 ( -3.290 -5.053 4.019) 7.246 27.436 ( -1.409 -2.519 -5.026) 5.795 28.178 ( 1.355 2.538 1.938) 3.469 28.336 ( 0.964 1.614 0.072) 1.881 28.572 ( -0.291 5.174 0.598) 5.216 28.748 ( -0.548 3.580 -7.435) 8.271 28.903 ( 4.832 -0.422 4.144) 6.380 29.261 ( -5.320 4.054 2.115) 7.015 29.376 ( 14.921 0.168 -4.611) 15.618 29.638 ( -1.748 -1.706 2.230) 3.308 31.978 ( -0.187 -0.367 1.009) 1.089 31.999 ( 1.235 -1.119 0.545) 1.753 32.110 ( 0.359 0.643 -0.965) 1.214 32.118 ( 1.447 0.912 -1.076) 2.021 35.118 ( 0.141 4.319 0.813) 4.397 35.239 ( 2.075 3.289 -2.984) 4.902 35.427 ( -0.697 -2.326 2.379) 3.400 35.438 ( 0.346 -2.243 -0.433) 2.310 39.244 ( 0.249 0.933 0.772) 1.236 39.295 ( 0.972 1.380 -1.365) 2.170 39.409 ( -1.916 -1.328 0.935) 2.512 39.471 ( -3.501 -2.350 -0.217) 4.222 46.884 ( -0.253 3.212 0.594) 3.276 46.950 ( 0.014 3.694 -0.655) 3.752 47.316 ( -0.237 -4.651 0.975) 4.758 47.427 ( 1.268 -4.744 -1.206) 5.057 64.524 ( 4.834 23.267 5.042) 24.293 65.626 ( 20.972 10.880 -27.306) 36.109 66.074 ( 0.880 3.429 10.711) 11.281 66.702 ( -11.544 -5.113 -3.750) 13.170 85.179 ( -0.863 0.478 0.533) 1.121 85.246 ( -1.157 0.413 -1.948) 2.303 85.412 ( -1.598 -2.514 -0.392) 3.005 85.552 ( -11.101 -9.664 3.704) 15.177 87.278 ( -1.824 0.532 -0.289) 1.922 87.307 ( -0.998 0.265 1.355) 1.703 87.368 ( -3.886 2.681 -0.016) 4.721 88.091 ( -10.034 -14.958 -5.012) 18.697 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.136 27.175 2.305) 27.357 2.306 ( -1.727 26.706 2.819) 26.910 2.584 ( 1.311 5.489 -9.906) 11.401 2.836 ( 0.630 10.388 -11.260) 15.333 2.986 ( 1.860 -1.278 -3.128) 3.857 3.095 ( -5.340 -3.822 -4.477) 7.948 3.183 ( -3.790 -6.037 0.930) 7.188 3.221 ( -7.791 0.782 -5.660) 9.661 3.327 ( -3.287 6.666 0.618) 7.458 3.609 ( 6.075 2.526 5.447) 8.541 3.626 ( -1.298 5.549 1.669) 5.938 3.706 ( 9.419 4.714 1.216) 10.603 3.745 ( 6.855 4.162 8.310) 11.548 3.795 ( -1.015 1.060 5.404) 5.600 4.013 ( -7.017 0.998 4.414) 8.350 4.022 ( -1.749 3.593 0.844) 4.084 4.103 ( 3.297 0.262 3.444) 4.774 4.186 ( 9.021 -3.223 9.358) 13.392 4.215 ( -2.183 -4.339 4.759) 6.800 4.327 ( -3.668 -9.150 5.685) 11.379 4.417 ( -3.910 -8.788 -1.214) 9.695 4.517 ( 4.573 -4.585 -2.512) 6.946 4.701 ( -5.033 4.528 2.565) 7.240 4.741 ( 1.539 10.336 -1.898) 10.621 4.829 ( 5.420 5.235 2.557) 7.958 4.958 ( -2.541 -1.020 -1.909) 3.338 5.022 ( -1.937 3.327 -5.576) 6.776 5.228 ( 2.781 2.120 2.363) 4.221 5.288 ( 1.247 -2.007 -5.856) 6.315 5.327 ( -2.921 2.791 -5.494) 6.819 5.435 ( 1.367 0.668 -4.157) 4.427 5.497 ( 0.273 -0.396 3.056) 3.094 5.574 ( 2.134 2.521 0.061) 3.303 5.784 ( 0.247 1.609 -4.547) 4.830 5.794 ( -0.174 5.926 2.374) 6.386 5.875 ( 0.599 -2.834 0.837) 3.015 5.971 ( 1.831 -3.837 -2.813) 5.098 6.011 ( -0.218 5.008 1.136) 5.140 6.142 ( 2.307 0.625 0.280) 2.407 6.197 ( -0.477 -1.380 -2.077) 2.539 6.248 ( -2.614 3.094 1.550) 4.337 6.295 ( -0.784 -1.979 -2.881) 3.582 6.339 ( -0.284 -1.886 2.630) 3.249 6.427 ( -2.909 0.246 1.248) 3.175 6.455 ( 0.946 -0.126 -1.232) 1.558 6.525 ( -0.284 -1.532 -1.921) 2.474 6.552 ( -0.523 -2.896 1.775) 3.437 6.739 ( 1.105 -0.489 2.253) 2.556 6.751 ( -4.042 -1.887 -2.021) 4.898 6.837 ( -4.524 2.330 1.007) 5.187 6.883 ( 2.761 -3.440 -3.456) 5.604 6.994 ( -3.357 -3.651 -1.241) 5.112 7.046 ( -4.544 3.679 -4.221) 7.211 7.101 ( 4.253 -0.024 -3.183) 5.313 7.240 ( 0.764 1.040 0.820) 1.529 7.361 ( -0.504 -2.943 -0.973) 3.140 7.535 ( 2.996 1.251 2.014) 3.820 7.632 ( 5.564 -1.884 2.790) 6.503 7.755 ( -5.959 2.858 -5.543) 8.626 7.867 ( -3.440 0.461 -4.812) 5.933 8.029 ( 5.109 1.934 5.389) 7.674 8.144 ( 4.688 2.024 -0.185) 5.109 8.198 ( 1.324 -6.018 0.725) 6.204 8.263 ( -4.473 5.812 -0.857) 7.384 8.467 ( -2.016 -3.513 -1.238) 4.235 8.547 ( -1.484 -2.647 7.074) 7.697 8.631 ( 1.942 -3.051 -2.603) 4.456 8.695 ( 1.290 -4.206 0.624) 4.443 8.993 ( 1.211 -0.816 -1.337) 1.980 9.113 ( 1.889 -4.158 -1.413) 4.781 9.163 ( -5.199 1.030 5.510) 7.646 9.308 ( 3.561 -5.844 1.172) 6.943 10.937 ( 0.572 3.251 -0.040) 3.301 10.953 ( -0.089 4.443 -0.403) 4.462 11.102 ( -0.539 -2.531 0.446) 2.626 11.161 ( -0.637 -3.272 -0.232) 3.342 11.316 ( -1.865 6.037 1.293) 6.449 11.494 ( 0.510 2.843 -2.356) 3.728 11.612 ( -4.278 -3.317 3.701) 6.558 11.810 ( 5.116 -9.371 -1.267) 10.751 13.705 ( -2.020 -0.495 0.888) 2.261 13.709 ( 4.333 -0.128 1.229) 4.506 13.858 ( -1.158 1.441 -2.914) 3.451 13.917 ( -2.721 0.241 -4.958) 5.661 14.185 ( -0.191 2.938 3.642) 4.684 14.317 ( 2.240 5.900 -1.399) 6.464 14.383 ( 0.366 -4.116 3.719) 5.559 14.599 ( -0.230 -3.770 -2.968) 4.804 14.668 ( -0.003 7.204 1.452) 7.349 14.871 ( -0.947 -0.657 -5.002) 5.133 15.066 ( -0.948 -3.938 4.933) 6.383 15.183 ( 1.307 -6.494 0.554) 6.647 22.747 ( -0.975 6.728 0.243) 6.802 22.773 ( 1.040 7.049 -0.401) 7.137 23.064 ( -0.986 -7.727 0.519) 7.807 23.108 ( 0.789 -8.321 -0.558) 8.377 24.424 ( 0.001 16.834 2.048) 16.958 24.647 ( 0.126 12.190 -4.091) 12.859 25.078 ( 0.042 -12.257 3.740) 12.814 25.216 ( 0.442 -14.205 -0.434) 14.218 25.746 ( -0.643 1.254 -0.411) 1.468 25.853 ( -3.593 -3.153 -4.939) 6.873 26.076 ( 2.498 -2.089 3.110) 4.503 26.183 ( 0.173 -6.102 -1.089) 6.201 27.097 ( -1.495 3.740 0.118) 4.030 27.152 ( -0.003 0.243 -2.074) 2.088 27.255 ( -0.122 -1.286 3.048) 3.311 27.358 ( 1.682 -4.659 -0.575) 4.986 28.277 ( 0.288 3.266 3.601) 4.870 28.373 ( 0.554 -0.367 2.353) 2.445 28.625 ( -0.933 2.777 -3.850) 4.838 28.693 ( -2.094 -0.494 -7.476) 7.779 29.123 ( 3.645 6.895 4.601) 9.055 29.249 ( -1.048 2.324 0.275) 2.564 29.507 ( 1.482 -3.313 0.159) 3.633 29.517 ( -0.421 -4.316 0.185) 4.340 31.975 ( -0.278 -0.033 0.810) 0.857 31.989 ( -0.206 -0.782 0.494) 0.948 32.130 ( 0.252 0.700 -0.676) 1.006 32.142 ( 0.323 0.239 -0.903) 0.988 35.215 ( -0.184 4.467 0.669) 4.521 35.301 ( 0.576 1.891 -2.054) 2.851 35.375 ( -0.799 -1.695 0.936) 2.094 35.385 ( 0.299 -3.336 0.204) 3.356 39.269 ( -0.333 1.323 0.474) 1.444 39.323 ( 0.910 -0.327 -1.200) 1.541 39.372 ( -0.718 0.076 1.008) 1.240 39.410 ( 0.032 -0.929 -0.242) 0.960 46.967 ( -0.125 4.635 0.735) 4.695 47.043 ( 0.183 5.132 -1.321) 5.303 47.209 ( -0.189 -5.439 1.569) 5.664 47.313 ( 0.100 -6.233 -1.205) 6.349 65.025 ( -2.239 19.068 3.980) 19.607 65.565 ( 0.675 -4.979 -10.247) 11.412 66.409 ( -9.789 1.401 -0.213) 9.891 66.505 ( 13.888 -2.843 0.909) 14.205 85.182 ( -0.233 0.748 0.328) 0.849 85.233 ( 0.891 -0.855 -1.492) 1.937 85.309 ( -2.697 -1.659 1.838) 3.660 85.354 ( 1.112 -2.749 0.155) 2.969 87.275 ( 0.224 1.288 1.522) 2.006 87.328 ( 1.149 -0.629 3.909) 4.123 87.453 ( 0.356 6.077 -1.805) 6.350 87.752 ( -2.923 -6.923 -6.530) 9.956 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 1.064 25.386 1.963) 25.484 2.227 ( -7.606 25.189 6.248) 27.044 2.572 ( 1.929 7.649 -11.671) 14.087 2.736 ( -6.166 7.928 -11.402) 15.195 2.886 ( -10.716 6.031 -5.613) 13.517 2.994 ( -4.770 5.004 0.872) 6.967 3.018 ( -4.125 -8.436 1.881) 9.576 3.151 ( -7.476 2.026 0.911) 7.799 3.316 ( 1.459 -1.903 -0.118) 2.401 3.437 ( -13.273 -4.760 -3.614) 14.557 3.630 ( -7.848 0.475 3.666) 8.675 3.717 ( -13.179 -0.444 2.208) 13.370 3.792 ( -9.249 -1.436 10.620) 14.156 3.830 ( -10.174 -2.258 -0.098) 10.421 3.925 ( 6.814 -3.479 0.699) 7.682 4.004 ( 5.301 2.864 6.323) 8.734 4.116 ( 2.077 -5.835 2.470) 6.668 4.192 ( -0.659 3.489 0.824) 3.645 4.286 ( 0.093 -0.555 3.616) 3.660 4.332 ( 3.909 5.110 1.617) 6.633 4.493 ( 9.114 -3.859 4.633) 10.928 4.669 ( 5.886 0.581 0.121) 5.916 4.685 ( 2.877 1.206 1.903) 3.654 4.825 ( 0.521 9.954 4.603) 10.979 4.875 ( 4.780 2.796 -1.099) 5.646 4.979 ( 5.732 5.468 -0.229) 7.925 5.087 ( 9.206 -3.665 -4.678) 10.958 5.251 ( 2.476 5.171 1.266) 5.872 5.322 ( 6.914 1.507 -4.511) 8.392 5.383 ( 6.929 -0.403 -3.445) 7.749 5.452 ( 2.117 5.715 -4.523) 7.590 5.560 ( 3.796 1.335 -3.204) 5.144 5.616 ( -1.191 2.327 -6.670) 7.164 5.693 ( 0.353 2.648 -1.034) 2.865 5.832 ( -2.151 1.502 2.832) 3.860 5.917 ( -2.716 -1.509 5.386) 6.218 5.937 ( 1.773 3.278 -1.135) 3.896 6.017 ( 1.071 0.650 1.929) 2.300 6.132 ( -2.234 1.680 1.836) 3.344 6.190 ( -2.018 0.543 -0.136) 2.094 6.217 ( -0.576 0.531 -1.084) 1.338 6.276 ( 1.491 -2.968 -1.100) 3.499 6.364 ( 0.503 -4.422 3.449) 5.631 6.391 ( -0.756 -3.206 -0.921) 3.420 6.449 ( -0.503 -0.621 -1.587) 1.777 6.524 ( 2.544 3.753 -2.447) 5.152 6.590 ( 1.497 2.021 2.388) 3.468 6.654 ( -3.876 -4.106 -2.222) 6.068 6.759 ( -1.474 3.327 -1.956) 4.131 6.843 ( 7.785 -1.974 3.382) 8.714 6.877 ( -5.718 0.806 -0.503) 5.797 6.924 ( 1.839 -0.644 -1.837) 2.678 7.065 ( 6.584 -3.186 -3.351) 8.046 7.132 ( -0.238 0.078 -2.163) 2.177 7.228 ( -1.563 1.472 -0.021) 2.147 7.365 ( -0.566 -5.089 -1.075) 5.232 7.533 ( -5.124 3.419 -3.162) 6.924 7.636 ( -0.645 -2.624 -2.266) 3.527 7.770 ( 2.239 -2.179 2.340) 3.904 7.820 ( 4.745 -3.905 -1.025) 6.230 8.030 ( -5.802 6.368 1.954) 8.833 8.165 ( -5.021 -1.608 -3.713) 6.449 8.201 ( 0.916 2.949 0.149) 3.092 8.306 ( 5.639 -0.653 3.006) 6.424 8.411 ( -2.340 -1.964 -0.908) 3.187 8.478 ( -8.577 -4.352 -0.892) 9.659 8.603 ( -2.305 -2.446 2.534) 4.209 8.741 ( 1.055 -8.251 3.862) 9.171 8.986 ( 0.151 -0.648 -2.529) 2.615 9.124 ( 0.252 -3.920 -1.612) 4.246 9.206 ( 7.825 2.982 3.926) 9.248 9.436 ( 7.733 -4.366 2.347) 9.185 10.948 ( 0.464 2.518 -0.858) 2.701 10.982 ( 3.215 2.304 -0.259) 3.964 11.093 ( -0.803 -1.212 0.235) 1.472 11.141 ( -1.329 -3.803 -0.488) 4.058 11.259 ( -4.825 3.768 1.302) 6.259 11.452 ( -6.374 -0.922 0.036) 6.441 11.537 ( -1.279 4.615 0.427) 4.808 11.896 ( 3.473 -6.623 0.920) 7.535 13.641 ( -4.821 2.228 1.267) 5.460 13.708 ( -2.930 -0.444 -0.041) 2.964 13.798 ( -3.595 0.457 -3.353) 4.937 13.931 ( 4.176 -4.356 -1.938) 6.338 14.210 ( 1.572 2.734 1.357) 3.433 14.355 ( 2.555 5.506 -0.467) 6.088 14.412 ( 0.130 -5.660 3.778) 6.806 14.584 ( 0.265 -4.317 -3.805) 5.761 14.693 ( 1.578 7.092 2.260) 7.609 14.834 ( -0.126 1.838 -4.518) 4.879 15.055 ( -2.331 -3.447 3.923) 5.719 15.198 ( -0.254 -8.164 0.407) 8.178 22.749 ( 1.088 6.046 -0.268) 6.149 22.826 ( 4.454 6.593 0.283) 7.962 23.046 ( -1.090 -7.450 -0.166) 7.531 23.124 ( 1.079 -6.869 -0.077) 6.953 24.421 ( -1.539 16.586 2.223) 16.805 24.599 ( -2.552 13.708 -3.811) 14.454 25.090 ( -0.936 -12.913 2.755) 13.237 25.209 ( -0.802 -15.443 -0.019) 15.464 25.772 ( 3.160 0.280 -0.319) 3.188 25.829 ( 3.166 -1.202 -2.901) 4.459 26.120 ( 1.160 -1.956 1.001) 2.485 26.238 ( 5.847 -6.736 -0.636) 8.942 27.078 ( -0.633 2.586 0.174) 2.668 27.153 ( 0.868 -0.690 -1.148) 1.596 27.275 ( 0.921 -0.004 1.637) 1.878 27.400 ( 2.858 -5.298 -0.351) 6.030 28.278 ( -2.056 2.871 3.285) 4.823 28.375 ( -2.143 -0.685 1.967) 2.988 28.607 ( 1.362 2.861 -2.654) 4.133 28.658 ( 2.503 -0.011 -5.921) 6.429 29.078 ( -6.799 6.231 1.505) 9.344 29.334 ( 3.920 -1.631 1.085) 4.383 29.372 ( -6.064 2.312 -1.313) 6.621 29.615 ( 3.081 -4.802 1.893) 6.012 31.970 ( -0.663 -0.119 0.768) 1.022 31.979 ( -1.128 -0.586 0.605) 1.408 32.125 ( -0.407 0.537 -0.779) 1.030 32.134 ( -0.613 0.221 -0.870) 1.087 35.212 ( -0.439 4.540 0.700) 4.615 35.295 ( -0.125 2.035 -1.853) 2.755 35.367 ( -0.423 -1.250 0.599) 1.449 35.392 ( 0.200 -3.519 0.385) 3.545 39.264 ( -0.372 1.656 0.347) 1.732 39.335 ( 1.014 -0.226 -1.420) 1.760 39.373 ( 0.203 -0.126 1.397) 1.417 39.429 ( 1.916 -1.411 -0.334) 2.403 46.970 ( -0.020 4.607 0.786) 4.674 47.040 ( 0.205 5.059 -1.339) 5.237 47.213 ( -0.238 -5.468 1.606) 5.704 47.303 ( -0.414 -5.907 -1.234) 6.049 64.966 ( -5.536 20.379 3.712) 21.441 65.558 ( 3.651 -2.951 -10.805) 11.780 66.195 ( -12.143 9.569 1.839) 15.569 66.720 ( 7.727 -14.492 0.574) 16.433 85.191 ( 1.104 1.083 0.179) 1.557 85.268 ( 3.303 -1.112 -2.544) 4.315 85.319 ( 2.960 -1.064 1.564) 3.513 85.406 ( 3.778 -3.777 1.220) 5.480 87.305 ( 1.881 1.989 1.731) 3.239 87.386 ( 2.581 -1.486 4.682) 5.549 87.464 ( 1.435 3.218 -0.201) 3.529 87.676 ( -0.866 -4.811 -8.954) 10.201 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -4.510 19.838 -1.462) 20.396 2.153 ( 2.240 18.642 8.907) 20.782 2.491 ( -6.016 9.552 -6.546) 13.049 2.556 ( -9.075 3.235 -5.373) 11.031 2.649 ( -12.599 9.093 -1.105) 15.577 2.837 ( -11.196 2.573 -2.240) 11.704 2.930 ( -11.868 -6.980 1.132) 13.815 3.023 ( -1.059 4.492 -2.808) 5.402 3.157 ( -13.068 2.026 1.948) 13.367 3.369 ( 3.247 -6.215 0.472) 7.028 3.434 ( -6.888 -6.548 1.161) 9.575 3.536 ( -10.331 -2.011 8.368) 13.446 3.660 ( -1.070 -1.118 0.656) 1.681 3.757 ( -4.349 -1.494 3.780) 5.952 3.924 ( -11.553 1.965 -4.694) 12.625 4.065 ( 4.950 -3.121 -0.819) 5.908 4.169 ( 3.484 -1.132 -2.202) 4.274 4.224 ( 2.431 -2.379 4.023) 5.268 4.348 ( 2.428 4.811 4.018) 6.723 4.468 ( 10.086 1.786 -0.929) 10.285 4.602 ( 0.204 -5.598 -2.459) 6.118 4.680 ( 0.806 -7.316 3.134) 8.000 4.789 ( 1.696 8.754 1.053) 8.978 4.913 ( 3.389 3.353 -2.193) 5.248 5.002 ( 14.089 10.174 7.111) 18.777 5.150 ( 5.962 4.193 2.351) 7.659 5.238 ( 7.819 7.952 -2.891) 11.521 5.267 ( 0.504 5.069 -5.947) 7.830 5.416 ( -0.322 -1.230 -7.219) 7.330 5.424 ( 3.633 1.878 -1.997) 4.551 5.495 ( 3.385 12.044 -2.875) 12.837 5.554 ( 4.662 -0.598 -5.201) 7.010 5.677 ( 7.478 -0.281 2.619) 7.928 5.699 ( -0.504 -0.752 1.645) 1.878 5.747 ( -3.072 1.543 1.601) 3.793 5.930 ( -1.881 2.721 4.477) 5.567 5.979 ( 1.928 3.540 1.646) 4.354 6.049 ( 2.276 -3.853 -0.835) 4.552 6.139 ( -0.001 2.696 6.165) 6.728 6.164 ( -0.590 3.428 0.291) 3.490 6.220 ( 2.452 0.459 -0.005) 2.495 6.285 ( -3.131 -6.059 2.665) 7.322 6.332 ( -1.294 -0.956 -0.124) 1.614 6.427 ( 3.375 2.449 2.145) 4.689 6.464 ( 1.849 2.728 -5.003) 5.991 6.568 ( 0.216 -4.960 -4.053) 6.409 6.585 ( 0.732 3.414 -1.168) 3.682 6.630 ( 0.806 -0.066 3.722) 3.809 6.733 ( -2.400 1.831 1.378) 3.318 6.783 ( -3.229 -1.277 0.742) 3.551 6.971 ( 3.470 2.284 -2.104) 4.657 7.012 ( 5.649 -0.810 -1.026) 5.799 7.087 ( -0.988 0.452 0.213) 1.107 7.150 ( 0.272 0.673 -1.987) 2.116 7.220 ( 0.896 1.940 -3.272) 3.908 7.275 ( -4.105 -0.292 0.705) 4.176 7.497 ( 2.956 -4.297 -0.395) 5.230 7.645 ( 2.840 -8.361 -1.044) 8.892 7.796 ( 0.679 -0.586 -0.354) 0.964 7.893 ( -7.430 6.404 -0.067) 9.809 7.928 ( 3.790 -4.411 -2.096) 6.182 8.045 ( -5.360 -3.990 -4.244) 7.916 8.131 ( -7.653 -2.831 -0.222) 8.162 8.325 ( -2.914 -0.590 -0.259) 2.984 8.353 ( -2.148 -2.642 0.212) 3.412 8.419 ( 1.106 -3.112 2.463) 4.120 8.550 ( -5.155 -1.299 1.030) 5.415 8.720 ( -6.513 -8.652 4.739) 11.821 9.029 ( 6.787 1.327 -2.224) 7.264 9.157 ( 3.964 -3.767 -1.372) 5.638 9.403 ( 9.760 3.343 2.271) 10.564 9.572 ( 5.707 -2.366 0.742) 6.222 10.956 ( 1.057 2.592 -0.330) 2.818 11.004 ( -2.247 2.677 -2.502) 4.298 11.093 ( 2.228 -1.568 2.613) 3.775 11.123 ( -0.401 -3.964 -0.545) 4.021 11.175 ( -4.758 0.647 2.905) 5.612 11.324 ( -6.148 -4.077 0.468) 7.392 11.549 ( 0.824 10.529 0.362) 10.567 11.918 ( -1.108 -3.965 -1.437) 4.360 13.577 ( -1.796 0.207 -0.820) 1.986 13.668 ( -1.469 -0.273 2.630) 3.025 13.701 ( -4.780 -0.120 -2.995) 5.642 13.987 ( 1.918 -8.850 0.832) 9.094 14.247 ( 1.966 2.085 -0.740) 2.960 14.401 ( 1.214 1.829 2.558) 3.371 14.417 ( 0.261 -2.495 -0.971) 2.690 14.577 ( 0.888 -4.028 -2.733) 4.948 14.731 ( 0.759 6.378 2.482) 6.886 14.826 ( 1.141 3.032 -3.256) 4.593 15.031 ( -1.978 -3.516 3.002) 5.029 15.179 ( -1.462 -9.592 -0.513) 9.716 22.779 ( 2.045 4.805 0.040) 5.222 22.920 ( 5.063 5.408 0.444) 7.421 23.022 ( -1.354 -6.014 -0.541) 6.188 23.142 ( 0.778 -4.431 -0.029) 4.499 24.393 ( -2.358 16.162 1.773) 16.429 24.539 ( -1.936 15.440 -2.732) 15.799 25.067 ( -2.115 -14.295 0.869) 14.477 25.197 ( -0.626 -16.567 0.132) 16.579 25.844 ( 4.118 0.017 0.706) 4.178 25.912 ( 5.780 -1.498 -0.191) 5.975 26.147 ( 1.271 -0.268 0.697) 1.474 26.349 ( 6.083 -8.566 -1.448) 10.605 27.075 ( -0.039 1.654 0.901) 1.884 27.168 ( 0.846 -1.840 0.599) 2.112 27.300 ( 1.277 0.681 -0.397) 1.500 27.446 ( 2.176 -6.113 -1.013) 6.567 28.247 ( -2.271 2.218 1.866) 3.682 28.321 ( -3.364 -0.452 0.270) 3.405 28.658 ( 4.275 3.311 0.197) 5.411 28.713 ( 4.966 0.384 -2.214) 5.451 28.949 ( -6.818 5.435 -1.075) 8.785 29.174 ( -9.410 -2.850 -4.162) 10.676 29.464 ( 5.042 3.877 1.840) 6.621 29.641 ( -1.079 -2.248 2.138) 3.285 31.959 ( -1.219 -0.274 0.839) 1.505 31.962 ( -0.642 -0.343 0.802) 1.083 32.109 ( -0.806 0.449 -1.038) 1.389 32.117 ( -0.676 0.022 -0.905) 1.130 35.207 ( -0.473 4.651 0.777) 4.740 35.282 ( -0.296 2.712 -1.388) 3.061 35.366 ( 0.049 -1.392 0.326) 1.431 35.395 ( -0.030 -3.560 0.323) 3.574 39.260 ( -0.185 2.146 0.394) 2.190 39.343 ( 0.633 0.765 -1.710) 1.977 39.391 ( 0.761 -1.207 1.821) 2.314 39.466 ( 2.074 -2.374 -0.530) 3.197 46.973 ( -0.042 4.574 0.778) 4.640 47.038 ( 0.301 4.990 -1.238) 5.150 47.215 ( -0.379 -5.547 1.432) 5.741 47.290 ( -0.339 -5.544 -1.046) 5.652 64.887 ( -4.692 23.076 4.527) 23.980 65.564 ( 2.794 2.313 -12.474) 12.991 66.032 ( -6.790 8.347 5.878) 12.260 66.786 ( 0.111 -19.924 -1.461) 19.977 85.217 ( 1.439 1.787 0.146) 2.299 85.312 ( 2.900 -0.144 -2.983) 4.163 85.409 ( 4.828 -3.256 1.860) 6.113 85.485 ( 3.759 -4.160 1.163) 5.726 87.344 ( 1.495 2.640 0.199) 3.041 87.454 ( 1.848 -2.498 3.995) 5.061 87.501 ( 1.649 -0.147 2.599) 3.081 87.645 ( 2.620 -6.038 -8.103) 10.439 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 1.210 12.470 -3.288) 12.952 2.252 ( -7.706 2.747 -2.500) 8.554 2.310 ( -5.844 7.826 -0.063) 9.767 2.354 ( -1.791 6.555 4.638) 8.227 2.478 ( -4.756 8.226 1.591) 9.635 2.701 ( -1.263 7.787 -6.082) 9.961 2.737 ( -5.652 -5.744 7.048) 10.706 2.948 ( -2.933 6.437 -0.928) 7.135 3.107 ( 1.509 7.280 3.410) 8.180 3.376 ( -3.869 -2.612 3.124) 5.617 3.435 ( 1.641 -7.803 2.584) 8.382 3.465 ( -0.414 0.193 4.901) 4.923 3.652 ( -3.186 -4.594 -4.145) 6.959 3.705 ( -1.855 -1.165 -0.250) 2.205 3.747 ( -0.253 3.730 -3.936) 5.428 4.056 ( -2.031 -5.914 -3.976) 7.410 4.173 ( -4.122 -6.941 -2.585) 8.476 4.266 ( 3.164 0.742 -1.178) 3.457 4.389 ( -0.579 6.653 3.597) 7.585 4.518 ( -5.688 -6.090 2.078) 8.588 4.642 ( 5.254 0.051 -2.788) 5.948 4.749 ( -1.886 7.376 1.569) 7.773 4.826 ( 8.976 2.680 -0.106) 9.368 5.000 ( 8.552 1.362 -4.488) 9.753 5.128 ( -1.700 -0.752 0.765) 2.010 5.167 ( -3.945 0.879 -1.908) 4.469 5.208 ( -2.538 7.618 -7.112) 10.726 5.307 ( -1.327 8.208 -0.990) 8.373 5.426 ( 2.358 1.095 -3.221) 4.139 5.484 ( 5.890 4.884 0.205) 7.654 5.576 ( 2.861 7.096 2.223) 7.968 5.627 ( 5.140 2.201 4.793) 7.364 5.711 ( 2.163 -0.311 3.187) 3.864 5.774 ( 1.858 4.030 0.210) 4.442 5.860 ( 5.773 0.871 3.572) 6.844 5.905 ( 0.137 -3.319 1.570) 3.674 5.990 ( 0.380 3.862 -0.138) 3.883 6.063 ( -2.578 -7.784 -5.135) 9.675 6.115 ( -0.727 1.492 1.167) 2.029 6.189 ( -4.067 6.456 2.180) 7.936 6.250 ( 1.823 0.302 6.492) 6.750 6.273 ( 0.210 4.302 3.661) 5.652 6.371 ( -0.975 -2.851 -2.597) 3.978 6.395 ( 2.884 2.939 -1.543) 4.397 6.467 ( -1.911 6.638 0.966) 6.975 6.536 ( -0.015 1.829 -1.364) 2.282 6.589 ( -2.685 -1.605 -1.618) 3.522 6.672 ( 3.539 7.142 0.231) 7.974 6.717 ( -0.880 -4.678 3.912) 6.162 6.791 ( 2.742 0.309 1.530) 3.155 6.960 ( -0.053 -3.446 -2.048) 4.009 6.987 ( -4.711 -0.045 -4.033) 6.201 7.091 ( -2.089 8.031 2.597) 8.695 7.165 ( 2.163 3.778 2.887) 5.224 7.218 ( 6.273 2.769 -0.754) 6.898 7.316 ( 1.375 -1.664 0.396) 2.194 7.592 ( 6.479 -5.798 -2.645) 9.088 7.637 ( -3.937 -0.491 -4.709) 6.158 7.753 ( -3.142 -1.470 -1.916) 3.963 7.830 ( 0.492 -1.332 2.125) 2.556 7.923 ( -3.965 -4.190 -6.370) 8.594 7.995 ( 1.665 -5.388 2.339) 6.105 8.046 ( 1.482 -11.358 -2.464) 11.716 8.270 ( -2.715 -9.235 -1.500) 9.742 8.343 ( -0.889 -0.787 5.183) 5.317 8.410 ( -5.725 -0.916 0.412) 5.812 8.460 ( -0.554 -0.626 -1.265) 1.517 8.609 ( -5.141 -4.584 0.575) 6.912 9.171 ( 7.397 0.929 1.656) 7.637 9.223 ( 2.181 -1.141 2.227) 3.319 9.514 ( 1.220 3.650 -1.408) 4.098 9.631 ( 0.452 -1.074 -3.515) 3.703 10.966 ( 0.357 2.645 1.670) 3.149 10.998 ( 3.031 3.577 3.671) 5.955 11.080 ( -2.511 -1.772 0.008) 3.074 11.129 ( -0.674 -1.045 -0.946) 1.562 11.189 ( 3.499 -4.377 5.719) 8.007 11.236 ( -3.866 -4.855 -0.058) 6.206 11.537 ( -2.220 11.499 -1.893) 11.863 11.858 ( -2.528 -1.906 -6.073) 6.849 13.559 ( -0.510 -3.096 -1.994) 3.718 13.600 ( -2.799 -2.905 -2.964) 5.005 13.705 ( 2.137 1.371 6.644) 7.113 14.011 ( 0.224 -10.159 1.618) 10.290 14.268 ( 1.110 2.207 -1.951) 3.148 14.389 ( -1.775 -3.902 0.105) 4.288 14.447 ( 1.362 2.563 0.372) 2.926 14.586 ( 1.289 -3.714 -1.411) 4.177 14.740 ( -0.738 6.222 1.708) 6.494 14.837 ( 1.397 3.235 -2.474) 4.306 15.015 ( -1.206 -4.096 2.575) 4.986 15.152 ( -0.782 -10.000 -1.103) 10.091 22.815 ( 1.425 3.703 0.863) 4.061 22.976 ( -0.685 1.369 -2.652) 3.062 23.015 ( 2.229 -1.507 2.438) 3.631 23.148 ( -0.087 -2.590 -0.500) 2.639 24.364 ( -1.359 16.053 1.511) 16.181 24.506 ( -0.254 16.069 -2.246) 16.227 25.042 ( -0.705 -15.088 0.880) 15.130 25.179 ( -1.115 -16.854 -1.352) 16.945 25.911 ( 2.070 0.223 2.033) 2.910 26.013 ( 4.404 -2.004 1.383) 5.032 26.161 ( -0.673 0.292 1.398) 1.579 26.424 ( 2.704 -10.005 -2.528) 10.667 27.083 ( 0.193 1.360 1.783) 2.251 27.191 ( 0.772 -2.850 2.610) 3.941 27.311 ( 0.381 0.807 -2.061) 2.246 27.464 ( 0.522 -6.567 -1.951) 6.871 28.223 ( -1.025 1.901 1.371) 2.559 28.279 ( -1.136 -0.130 0.595) 1.289 28.736 ( 2.640 4.347 0.589) 5.120 28.779 ( 1.508 1.364 -1.979) 2.837 28.850 ( -1.713 3.963 -0.638) 4.365 29.011 ( -4.092 -2.320 -5.579) 7.298 29.543 ( 2.682 2.497 1.629) 4.011 29.608 ( -3.262 0.599 1.574) 3.671 31.945 ( -0.698 -0.021 1.022) 1.237 31.958 ( -0.258 -0.545 0.910) 1.092 32.092 ( -0.299 0.477 -1.177) 1.305 32.104 ( -0.139 -0.237 -1.098) 1.132 35.204 ( -0.358 4.711 0.820) 4.795 35.274 ( 0.154 3.226 -1.124) 3.420 35.370 ( 0.128 -1.854 0.418) 1.905 35.394 ( -0.191 -3.362 0.059) 3.368 39.261 ( -0.037 2.433 0.550) 2.495 39.342 ( 0.245 1.269 -1.860) 2.265 39.411 ( 0.253 -1.703 1.964) 2.612 39.492 ( 0.987 -3.036 -0.642) 3.256 46.975 ( -0.179 4.567 0.712) 4.626 47.039 ( 0.407 4.980 -1.093) 5.115 47.214 ( -0.483 -5.618 1.195) 5.764 47.283 ( 0.101 -5.405 -0.822) 5.468 64.851 ( -1.968 24.993 5.914) 25.759 65.544 ( 2.713 9.898 -13.908) 17.285 66.005 ( -1.306 -0.055 10.673) 10.752 66.734 ( -3.092 -20.071 -5.572) 21.059 85.239 ( 0.614 2.240 0.223) 2.333 85.339 ( 1.629 -0.082 -3.436) 3.803 85.479 ( 0.809 -3.462 3.459) 4.960 85.546 ( 2.451 -4.419 0.022) 5.053 87.359 ( 0.390 1.912 -1.146) 2.262 87.463 ( -1.796 -2.109 -0.174) 2.776 87.534 ( -0.063 -0.907 3.803) 3.910 87.705 ( 5.993 -9.808 -2.256) 11.714 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -7.785 13.316 -4.077) 15.954 2.175 ( -1.082 14.337 -1.052) 14.417 2.337 ( 13.026 -3.680 1.364) 13.605 2.486 ( 7.972 7.285 4.473) 11.689 2.526 ( 11.305 2.666 -0.361) 11.620 2.711 ( 5.116 9.253 -4.782) 11.605 2.819 ( 6.294 0.563 10.099) 11.913 3.004 ( 9.305 3.938 1.509) 10.216 3.133 ( -0.749 4.244 2.471) 4.968 3.273 ( -5.948 0.699 -0.914) 6.059 3.463 ( 1.752 -5.092 1.300) 5.540 3.510 ( 0.095 5.278 -4.025) 6.638 3.594 ( -1.478 -9.341 11.447) 14.848 3.661 ( 0.213 1.562 -6.607) 6.792 3.806 ( 4.654 -4.245 -0.599) 6.328 4.008 ( -5.064 -7.727 -5.615) 10.811 4.076 ( 1.215 -0.357 -5.066) 5.222 4.283 ( -3.271 -1.466 0.354) 3.602 4.379 ( -3.505 -3.631 4.147) 6.532 4.426 ( -0.069 0.901 -2.428) 2.590 4.601 ( -6.113 4.686 -1.505) 7.849 4.723 ( -1.354 7.487 -0.525) 7.627 4.974 ( -6.127 0.152 -2.256) 6.531 5.002 ( -0.745 6.750 -0.613) 6.818 5.051 ( -6.404 -2.172 -1.240) 6.875 5.126 ( 0.382 5.502 -2.924) 6.243 5.191 ( 2.370 5.876 -2.393) 6.773 5.258 ( 4.615 4.702 -2.151) 6.931 5.434 ( 0.047 -0.120 -3.132) 3.134 5.547 ( 0.367 2.631 -3.112) 4.092 5.640 ( 1.032 6.770 7.659) 10.274 5.689 ( -3.164 1.659 0.597) 3.622 5.720 ( -3.627 1.858 5.823) 7.107 5.789 ( -0.293 -5.287 2.876) 6.026 5.834 ( -2.168 2.132 1.006) 3.203 5.920 ( -6.888 -0.831 -0.917) 6.998 6.009 ( 3.676 -5.761 -1.971) 7.112 6.046 ( -0.431 5.452 2.734) 6.114 6.094 ( -3.208 1.796 -0.383) 3.697 6.125 ( 1.614 6.985 -0.121) 7.170 6.177 ( -5.813 0.066 0.320) 5.822 6.268 ( -5.340 -3.039 0.299) 6.152 6.331 ( 1.414 0.054 3.474) 3.751 6.457 ( 0.312 2.356 -2.499) 3.448 6.528 ( 1.810 3.947 0.807) 4.417 6.562 ( 5.621 6.397 3.242) 9.113 6.602 ( 2.331 -3.127 0.770) 3.976 6.685 ( -0.052 2.633 0.543) 2.689 6.743 ( 2.146 4.214 2.509) 5.354 6.807 ( -1.264 -0.474 1.192) 1.801 6.906 ( -0.631 0.728 -5.240) 5.328 6.993 ( 1.000 2.069 -1.390) 2.686 7.148 ( 7.898 5.841 5.712) 11.363 7.238 ( 1.903 -0.771 3.255) 3.849 7.266 ( -2.609 0.134 0.677) 2.699 7.339 ( 1.604 4.014 1.290) 4.511 7.493 ( -4.479 -2.338 -4.775) 6.952 7.674 ( -1.349 -6.248 -0.641) 6.424 7.719 ( -0.710 0.331 -9.017) 9.051 7.820 ( 4.295 -1.600 -2.647) 5.293 7.893 ( -2.660 -3.418 -2.276) 4.893 7.984 ( 7.225 -8.708 3.958) 11.987 8.128 ( -3.281 -11.886 -0.292) 12.334 8.255 ( 7.462 -11.005 -1.977) 13.442 8.315 ( -1.647 2.858 -0.264) 3.309 8.389 ( 1.686 -1.661 3.326) 4.082 8.477 ( 1.763 -1.350 -0.855) 2.379 8.546 ( -1.811 -2.698 -0.621) 3.309 9.237 ( -2.289 1.635 5.058) 5.787 9.289 ( 2.810 -0.761 4.613) 5.455 9.427 ( -9.103 3.192 -5.060) 10.893 9.549 ( -5.185 -1.687 -6.336) 8.360 11.017 ( 1.510 -0.821 3.856) 4.222 11.039 ( -2.031 -1.864 -0.339) 2.777 11.103 ( 3.099 2.833 4.626) 6.247 11.136 ( 3.634 1.093 1.897) 4.242 11.180 ( -1.571 -3.139 0.705) 3.580 11.285 ( 4.275 -2.909 5.816) 7.783 11.464 ( -2.681 11.172 -5.091) 12.567 11.789 ( -0.963 -2.603 -9.062) 9.477 13.512 ( -1.586 -1.578 -1.802) 2.873 13.603 ( 2.616 -4.201 -1.697) 5.232 13.793 ( 3.100 -0.115 6.992) 7.649 14.019 ( 0.270 -8.743 0.873) 8.791 14.270 ( 0.051 2.132 -2.418) 3.224 14.341 ( -3.413 -2.982 -0.179) 4.536 14.449 ( -1.209 1.902 0.130) 2.257 14.616 ( 2.345 -4.228 -0.616) 4.874 14.727 ( -1.282 6.356 1.029) 6.565 14.849 ( 1.316 3.381 -2.058) 4.171 15.011 ( -0.753 -5.176 2.817) 5.941 15.143 ( 0.371 -9.551 -1.475) 9.671 22.833 ( -0.321 3.541 1.753) 3.964 22.927 ( -2.749 1.282 -2.396) 3.865 23.064 ( 1.224 -1.373 2.087) 2.782 23.135 ( -0.753 -2.570 -1.210) 2.939 24.361 ( 0.200 16.421 1.377) 16.479 24.510 ( 1.996 15.447 -2.088) 15.714 25.051 ( 0.776 -15.332 1.478) 15.422 25.150 ( -0.593 -15.940 -2.301) 16.116 25.929 ( -1.477 0.766 2.479) 2.985 26.074 ( 1.144 -3.471 2.095) 4.212 26.130 ( -3.334 0.604 1.669) 3.777 26.412 ( -2.446 -10.130 -3.212) 10.905 27.098 ( 0.210 1.757 2.565) 3.116 27.220 ( 0.478 -3.169 3.716) 4.907 27.292 ( -1.084 0.189 -2.747) 2.959 27.445 ( -1.186 -6.503 -2.976) 7.249 28.220 ( -0.303 2.273 1.251) 2.613 28.286 ( 1.330 -0.251 0.801) 1.573 28.706 ( -2.803 4.255 -0.543) 5.124 28.790 ( -0.245 0.487 -1.214) 1.331 28.851 ( 1.913 4.962 -1.026) 5.416 29.023 ( 6.727 -2.099 -5.200) 8.758 29.536 ( -4.435 3.449 1.701) 5.870 29.591 ( 1.091 0.111 1.190) 1.618 31.945 ( 0.177 0.006 1.022) 1.037 31.960 ( -0.029 -0.597 1.008) 1.172 32.090 ( 0.829 0.500 -1.233) 1.568 32.102 ( 0.559 -0.201 -1.149) 1.294 35.203 ( -0.135 4.698 0.775) 4.764 35.277 ( 0.655 3.280 -1.050) 3.506 35.374 ( 0.049 -2.367 0.616) 2.447 35.390 ( -0.220 -2.925 -0.131) 2.936 39.264 ( 0.007 2.354 0.702) 2.456 39.334 ( -0.075 1.301 -1.867) 2.277 39.417 ( -0.682 -1.605 1.847) 2.540 39.493 ( -0.547 -3.184 -0.634) 3.292 46.974 ( -0.322 4.593 0.639) 4.649 47.042 ( 0.451 5.011 -0.999) 5.129 47.210 ( -0.498 -5.632 1.055) 5.752 47.286 ( 0.612 -5.494 -0.686) 5.570 64.872 ( 0.735 25.589 6.716) 26.465 65.550 ( 5.895 10.100 -14.210) 18.403 66.054 ( -0.825 -2.990 13.427) 13.780 66.647 ( -1.718 -17.345 -9.075) 19.651 85.239 ( -0.651 2.202 0.288) 2.314 85.334 ( -0.319 -0.162 -3.459) 3.477 85.471 ( -3.018 -2.369 2.845) 4.776 85.566 ( -0.882 -5.745 0.756) 5.861 87.348 ( -0.837 0.810 -1.178) 1.657 87.408 ( -3.447 -1.591 -0.858) 3.892 87.531 ( -1.825 1.098 2.465) 3.258 87.804 ( 4.472 -12.642 0.463) 13.418 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 4.505 23.635 -3.913) 24.376 2.166 ( -0.281 23.260 6.021) 24.028 2.620 ( 11.914 -9.772 0.018) 15.409 2.691 ( 12.681 11.364 -0.461) 17.034 2.757 ( 9.524 2.724 -3.054) 10.366 2.909 ( 14.447 2.900 -2.248) 14.906 2.988 ( 11.355 6.075 5.958) 14.190 3.092 ( 0.210 -0.654 -1.765) 1.894 3.212 ( 10.412 2.858 -0.929) 10.837 3.319 ( 12.341 -1.642 2.266) 12.654 3.443 ( -1.278 3.443 -3.890) 5.349 3.532 ( 3.217 -5.465 2.998) 7.014 3.643 ( 3.775 -2.198 3.469) 5.578 3.703 ( 1.216 -2.480 4.444) 5.232 3.860 ( -4.170 -1.572 0.027) 4.457 3.868 ( -1.027 -7.564 -2.630) 8.074 4.059 ( -2.808 0.961 -2.656) 3.983 4.185 ( -5.906 -4.149 0.604) 7.243 4.311 ( -3.340 -0.194 1.191) 3.551 4.426 ( -6.297 -0.310 0.507) 6.325 4.554 ( 4.221 2.022 -0.498) 4.707 4.647 ( -7.631 10.565 -3.177) 13.414 4.788 ( -1.067 7.678 -1.861) 7.972 4.874 ( -9.664 -3.069 1.048) 10.194 4.998 ( -7.097 10.228 2.287) 12.657 5.050 ( -4.432 6.681 -3.394) 8.706 5.199 ( -1.374 -3.828 -1.978) 4.523 5.368 ( -0.028 0.268 -2.328) 2.344 5.401 ( -1.789 4.622 -0.159) 4.959 5.506 ( -1.425 0.275 -4.751) 4.968 5.577 ( -8.623 0.184 1.558) 8.764 5.613 ( 0.696 -0.743 -5.470) 5.564 5.679 ( -6.539 0.385 2.528) 7.021 5.753 ( -1.462 -0.827 1.814) 2.473 5.832 ( 0.305 2.638 1.744) 3.177 5.842 ( -5.340 4.035 4.869) 8.277 5.947 ( -3.312 -1.088 -0.237) 3.494 5.997 ( -3.060 1.743 -0.557) 3.566 6.101 ( 5.381 1.836 2.085) 6.056 6.161 ( 2.688 3.437 0.890) 4.453 6.185 ( -2.945 -4.009 -0.324) 4.985 6.282 ( 7.216 -5.831 -0.105) 9.278 6.358 ( 0.905 2.549 2.941) 3.996 6.405 ( -5.120 2.303 -0.935) 5.691 6.517 ( -0.687 3.331 0.128) 3.403 6.578 ( -1.767 2.696 -2.761) 4.245 6.676 ( 1.494 -0.602 2.620) 3.075 6.722 ( -0.687 -1.222 3.799) 4.050 6.741 ( -2.223 -3.305 -0.917) 4.088 6.813 ( 3.877 -0.457 1.401) 4.148 6.923 ( 1.258 6.637 2.118) 7.079 7.005 ( -0.114 2.566 -2.966) 3.923 7.140 ( -3.753 0.801 1.410) 4.089 7.242 ( -7.825 -1.974 -1.343) 8.181 7.275 ( 1.598 5.061 2.078) 5.699 7.360 ( 2.575 -4.950 0.809) 5.638 7.527 ( 4.134 1.129 -2.712) 5.071 7.618 ( 1.000 0.622 -5.000) 5.137 7.652 ( 1.816 -1.597 0.610) 2.494 7.855 ( -4.967 -6.057 -4.861) 9.219 7.913 ( 4.570 1.119 2.644) 5.397 8.107 ( 5.743 -2.486 -2.972) 6.928 8.158 ( 5.620 0.171 -0.169) 5.625 8.313 ( 2.016 -3.920 -2.895) 5.274 8.361 ( 2.156 -1.270 -0.489) 2.550 8.465 ( 6.507 -7.896 5.009) 11.392 8.494 ( 1.903 -5.236 -2.348) 6.046 8.560 ( 1.800 -4.333 3.605) 5.917 9.161 ( -11.914 4.796 -6.627) 14.452 9.197 ( -6.242 3.214 5.085) 8.668 9.327 ( -1.994 -2.089 6.322) 6.950 9.413 ( -6.213 -5.337 -6.084) 10.203 10.987 ( -2.557 0.750 -0.288) 2.681 11.038 ( -1.384 -0.798 0.409) 1.649 11.096 ( -1.529 -1.459 0.082) 2.115 11.170 ( 0.635 -1.929 1.187) 2.352 11.275 ( 3.290 4.498 6.467) 8.537 11.411 ( 4.527 4.668 -2.129) 6.842 11.460 ( 6.273 0.916 6.324) 8.954 11.732 ( 0.199 -4.548 -9.957) 10.949 13.512 ( 2.557 0.624 -1.126) 2.863 13.654 ( 3.245 -3.788 -0.695) 5.036 13.865 ( 1.367 -0.264 3.638) 3.895 14.036 ( 1.053 -6.587 0.410) 6.684 14.224 ( -3.812 1.932 -1.643) 4.579 14.292 ( -1.295 0.226 0.227) 1.334 14.417 ( -1.904 2.129 -0.553) 2.909 14.644 ( 0.543 -5.146 -1.195) 5.311 14.703 ( -1.775 6.404 0.839) 6.699 14.874 ( 2.374 2.471 -1.667) 3.811 15.017 ( -0.285 -6.011 3.774) 7.103 15.147 ( 0.832 -8.246 -1.648) 8.450 22.819 ( -2.135 4.728 1.983) 5.554 22.857 ( -3.514 3.632 -2.064) 5.458 23.079 ( -0.274 -3.966 1.415) 4.220 23.115 ( -0.542 -4.819 -1.237) 5.005 24.380 ( 0.998 16.873 1.179) 16.943 24.559 ( 4.173 13.995 -2.035) 14.745 25.064 ( -0.361 -14.069 1.142) 14.120 25.154 ( 2.067 -15.404 -1.058) 15.578 25.884 ( -4.346 1.348 1.708) 4.860 26.061 ( -4.913 -5.680 6.131) 9.695 26.077 ( -1.613 0.782 -3.291) 3.748 26.318 ( -5.406 -8.724 -2.894) 10.664 27.114 ( 0.004 2.641 2.870) 3.900 27.227 ( -1.484 0.337 -0.702) 1.676 27.257 ( -1.317 -3.257 1.577) 3.851 27.397 ( -2.047 -5.784 -3.502) 7.064 28.223 ( 0.299 3.154 1.018) 3.328 28.321 ( 1.693 -0.688 0.433) 1.878 28.674 ( -0.847 4.069 0.716) 4.218 28.791 ( 0.387 -1.727 0.159) 1.777 28.890 ( 3.590 7.165 -2.773) 8.481 29.146 ( 9.010 -3.427 -5.377) 11.038 29.456 ( -4.867 5.048 1.821) 7.244 29.607 ( -0.275 -1.647 1.576) 2.296 31.960 ( 0.857 -0.253 0.870) 1.247 31.966 ( 0.114 -0.428 0.958) 1.055 32.108 ( 1.584 0.451 -1.132) 1.998 32.111 ( 0.952 0.154 -1.014) 1.399 35.206 ( 0.104 4.621 0.705) 4.675 35.286 ( 0.926 2.901 -1.243) 3.289 35.378 ( 0.010 -2.905 0.495) 2.947 35.386 ( -0.213 -2.353 0.182) 2.369 39.267 ( -0.015 1.961 0.753) 2.101 39.323 ( -0.078 0.964 -1.685) 1.943 39.405 ( -1.368 -1.114 1.514) 2.325 39.468 ( -1.779 -2.725 -0.525) 3.296 46.970 ( -0.361 4.625 0.616) 4.680 47.045 ( 0.391 5.067 -1.031) 5.186 47.207 ( -0.427 -5.570 1.104) 5.695 47.297 ( 0.949 -5.784 -0.714) 5.905 64.934 ( 2.302 24.313 6.153) 25.185 65.611 ( 6.972 1.213 -13.286) 15.053 66.097 ( 0.275 3.703 10.052) 10.716 66.598 ( 0.369 -13.603 -7.125) 15.361 85.220 ( -1.449 1.753 0.319) 2.296 85.297 ( -1.848 -0.083 -2.797) 3.353 85.413 ( -3.982 -2.002 1.443) 4.685 85.514 ( -5.369 -6.568 1.659) 8.644 87.320 ( -1.704 0.258 -0.294) 1.749 87.342 ( -3.243 -0.723 0.278) 3.334 87.500 ( -2.092 4.189 0.340) 4.695 87.855 ( 0.766 -13.237 -0.108) 13.260 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 5.244 27.951 -1.562) 28.482 2.242 ( 4.609 26.983 5.867) 27.995 2.636 ( -1.719 2.405 -8.212) 8.728 2.866 ( 4.745 10.571 -5.428) 12.795 2.919 ( 2.681 -0.051 -3.749) 4.609 3.060 ( 15.305 -4.108 3.425) 16.213 3.123 ( 3.017 -8.481 -1.037) 9.061 3.332 ( 1.086 1.947 -6.861) 7.214 3.360 ( 12.180 11.799 1.703) 17.043 3.451 ( 3.695 5.252 3.732) 7.428 3.574 ( -0.093 -1.430 -2.744) 3.096 3.596 ( 2.154 3.160 2.299) 4.462 3.650 ( 6.446 -0.429 1.223) 6.575 3.797 ( 6.112 -4.153 4.443) 8.622 3.855 ( 4.046 -4.423 2.637) 6.549 3.911 ( 11.242 -5.795 3.932) 13.245 4.034 ( -6.948 3.081 7.951) 10.999 4.060 ( 0.896 1.147 1.016) 1.775 4.283 ( -5.958 6.374 1.353) 8.829 4.320 ( 0.797 -1.473 2.773) 3.239 4.514 ( -3.886 -1.141 -0.420) 4.072 4.573 ( -5.763 -9.088 0.181) 10.763 4.744 ( -3.451 3.400 1.105) 4.969 4.839 ( -9.425 8.451 0.675) 12.677 4.886 ( 3.724 -0.807 0.063) 3.811 4.923 ( -4.717 8.519 -1.648) 9.876 5.151 ( 1.066 3.371 -1.506) 3.843 5.206 ( -12.790 4.318 -2.427) 13.716 5.357 ( -3.690 -4.007 -3.683) 6.575 5.426 ( -1.864 -2.055 -5.996) 6.607 5.463 ( -3.474 2.062 -3.174) 5.138 5.531 ( -6.442 -2.415 2.883) 7.459 5.638 ( -4.511 -1.700 -3.067) 5.713 5.721 ( 0.502 5.906 1.164) 6.041 5.830 ( 2.952 1.529 1.128) 3.510 5.857 ( -0.058 -0.419 2.113) 2.155 5.932 ( 0.889 -3.534 -0.810) 3.733 5.984 ( 1.393 4.723 -0.317) 4.934 6.130 ( -0.952 -0.047 0.027) 0.954 6.190 ( 1.896 0.922 -0.664) 2.210 6.241 ( 3.768 2.535 2.380) 5.127 6.322 ( -2.291 0.356 0.796) 2.452 6.337 ( -0.538 0.133 -0.793) 0.967 6.421 ( 3.363 -2.457 -0.930) 4.267 6.482 ( -2.455 -2.617 -0.518) 3.625 6.544 ( -0.787 0.824 -2.991) 3.201 6.613 ( -5.639 -1.450 2.474) 6.327 6.702 ( 1.061 -0.455 -0.025) 1.155 6.814 ( 1.917 -0.529 5.237) 5.602 6.846 ( -1.613 -3.865 -2.507) 4.881 6.904 ( -3.190 1.934 3.826) 5.344 6.983 ( 2.121 -1.179 0.959) 2.610 7.108 ( -3.705 0.108 -3.532) 5.120 7.183 ( 2.136 3.363 1.765) 4.357 7.213 ( -6.276 2.160 -6.161) 9.056 7.373 ( 0.817 -1.845 0.206) 2.029 7.501 ( 0.951 2.055 -2.842) 3.634 7.624 ( -5.526 -5.054 -2.390) 7.861 7.777 ( 6.205 4.137 0.150) 7.459 7.839 ( 8.368 -0.467 5.052) 9.786 7.961 ( -2.322 -0.134 -4.525) 5.088 8.113 ( 1.556 3.291 -0.409) 3.663 8.204 ( -1.725 -6.220 -5.578) 8.531 8.340 ( -2.775 4.715 0.834) 5.534 8.402 ( 7.368 2.211 2.488) 8.085 8.532 ( 1.645 -7.037 -0.782) 7.269 8.599 ( 0.829 -7.307 2.422) 7.742 8.646 ( 6.039 -6.915 4.143) 10.072 8.966 ( -2.390 3.437 -3.859) 5.694 9.132 ( -3.595 3.195 2.911) 5.622 9.268 ( -6.928 -5.156 -0.177) 8.638 9.304 ( -2.537 -5.228 1.617) 6.031 10.948 ( -1.422 2.612 -0.435) 3.005 10.982 ( -2.906 4.425 -0.659) 5.335 11.099 ( 0.610 -4.373 0.575) 4.453 11.173 ( -0.754 -1.256 0.868) 1.703 11.321 ( 0.197 5.608 2.201) 6.027 11.470 ( 3.366 2.978 -1.853) 4.861 11.607 ( 2.230 -2.779 6.753) 7.635 11.731 ( 4.759 -8.359 -5.644) 11.153 13.592 ( 6.318 1.923 -0.262) 6.609 13.702 ( 1.857 -2.826 -0.151) 3.384 13.879 ( -0.129 1.233 -1.073) 1.640 14.016 ( -3.780 -3.432 -2.698) 5.774 14.176 ( -1.192 3.185 3.907) 5.180 14.287 ( 1.020 2.456 -0.685) 2.746 14.383 ( -1.401 0.701 0.421) 1.623 14.625 ( -1.063 -3.740 -2.325) 4.530 14.677 ( -1.428 6.461 0.984) 6.690 14.898 ( 0.832 -0.838 -3.373) 3.574 15.041 ( 0.479 -4.902 5.173) 7.143 15.159 ( 1.192 -6.587 -0.703) 6.731 22.780 ( -2.714 6.169 1.228) 6.851 22.790 ( -2.308 5.932 -1.300) 6.497 23.076 ( -0.653 -6.364 0.931) 6.465 23.104 ( -0.040 -7.527 -0.951) 7.587 24.405 ( 0.957 16.954 1.449) 17.042 24.625 ( 3.800 12.514 -2.954) 13.408 25.063 ( -0.258 -12.728 2.340) 12.944 25.194 ( 2.105 -14.568 -0.431) 14.726 25.800 ( -4.639 1.517 0.289) 4.889 25.974 ( -6.251 -6.489 -2.229) 9.282 26.039 ( -0.575 0.482 1.950) 2.089 26.221 ( -3.502 -6.936 -1.178) 7.858 27.120 ( -0.969 3.732 1.844) 4.274 27.179 ( -1.694 0.961 -2.838) 3.442 27.252 ( -1.109 -2.949 3.434) 4.660 27.354 ( -0.636 -4.862 -2.186) 5.368 28.245 ( 1.195 3.487 2.046) 4.216 28.349 ( 1.097 -0.600 0.889) 1.534 28.660 ( -1.005 3.446 -1.382) 3.847 28.768 ( -2.059 -1.364 -4.269) 4.931 28.986 ( 7.149 7.124 1.186) 10.162 29.270 ( 3.682 -4.315 -1.223) 5.802 29.404 ( 0.998 4.376 0.207) 4.493 29.589 ( -2.731 -3.091 1.419) 4.362 31.973 ( 0.079 -0.166 0.855) 0.875 31.981 ( 0.779 -0.629 0.651) 1.195 32.124 ( 0.799 0.563 -0.816) 1.274 32.131 ( 1.333 0.328 -0.976) 1.684 35.212 ( 0.112 4.510 0.673) 4.561 35.296 ( 0.904 2.319 -1.705) 3.017 35.380 ( 0.169 -3.191 0.113) 3.198 35.383 ( -0.469 -2.049 0.854) 2.269 39.270 ( -0.107 1.495 0.666) 1.640 39.317 ( 0.338 0.346 -1.397) 1.478 39.386 ( -1.318 -0.462 1.138) 1.802 39.430 ( -1.808 -1.699 -0.352) 2.506 46.968 ( -0.273 4.641 0.661) 4.696 47.045 ( 0.261 5.129 -1.183) 5.270 47.206 ( -0.280 -5.484 1.338) 5.652 47.310 ( 0.775 -6.150 -0.946) 6.271 65.003 ( 1.778 21.265 4.872) 21.889 65.621 ( 0.286 -7.117 -10.768) 12.910 66.231 ( 11.502 8.346 3.243) 14.576 66.554 ( -3.698 -7.923 -2.700) 9.151 85.195 ( -1.320 1.132 0.361) 1.776 85.251 ( -1.590 -0.165 -1.852) 2.447 85.357 ( -2.457 -2.410 0.715) 3.515 85.402 ( -6.731 -4.760 1.624) 8.403 87.285 ( -1.820 0.472 0.704) 2.007 87.310 ( -0.838 -0.128 2.094) 2.259 87.467 ( -1.026 6.283 -1.336) 6.505 87.830 ( -2.468 -10.782 -2.969) 11.453 ======================= Grid point 91 (49/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 2.716 -17.432 -3.737) 18.034 2.566 ( 2.716 17.432 -3.737) 18.034 2.692 ( -1.791 -9.374 0.070) 9.544 2.692 ( -1.791 9.374 0.070) 9.544 2.979 ( -1.377 -9.666 -3.074) 10.236 2.979 ( -1.377 9.666 -3.074) 10.236 3.228 ( -2.225 -5.002 -6.868) 8.783 3.228 ( -2.225 5.002 -6.868) 8.783 3.491 ( -4.569 -6.951 0.666) 8.344 3.491 ( -4.569 6.951 0.666) 8.344 3.687 ( 6.517 -3.148 -2.269) 7.585 3.687 ( 6.517 3.148 -2.269) 7.585 3.900 ( 4.309 -6.012 8.435) 11.219 3.900 ( 4.309 6.012 8.435) 11.219 3.952 ( -0.826 -5.020 4.595) 6.855 3.952 ( -0.826 5.020 4.595) 6.855 4.084 ( -8.874 -3.385 5.702) 11.078 4.084 ( -8.874 3.385 5.702) 11.078 4.254 ( 3.326 -3.448 6.665) 8.208 4.254 ( 3.326 3.448 6.665) 8.208 4.383 ( 3.461 -7.877 0.214) 8.607 4.383 ( 3.461 7.877 0.214) 8.607 4.837 ( -3.041 -6.033 -2.187) 7.101 4.837 ( -3.041 6.033 -2.187) 7.101 4.932 ( 2.376 -2.300 -1.856) 3.792 4.932 ( 2.376 2.300 -1.856) 3.792 5.125 ( -0.395 -8.699 1.554) 8.846 5.125 ( -0.395 8.699 1.554) 8.846 5.350 ( 1.106 -5.565 -1.642) 5.907 5.350 ( 1.106 5.565 -1.642) 5.907 5.498 ( 0.073 -3.194 -4.095) 5.194 5.498 ( 0.073 3.194 -4.095) 5.194 5.688 ( 4.202 -11.074 1.687) 11.964 5.688 ( 4.202 11.074 1.687) 11.964 5.833 ( 0.435 -3.821 -2.984) 4.868 5.833 ( 0.435 3.821 -2.984) 4.868 6.015 ( 0.715 -7.666 2.456) 8.082 6.015 ( 0.715 7.666 2.456) 8.082 6.188 ( -0.039 -5.981 0.244) 5.986 6.188 ( -0.039 5.981 0.244) 5.986 6.205 ( -0.821 -2.233 -0.548) 2.441 6.205 ( -0.821 2.233 -0.548) 2.441 6.349 ( -3.960 -4.293 1.126) 5.948 6.349 ( -3.960 4.293 1.126) 5.948 6.487 ( 1.048 -3.083 -0.180) 3.261 6.487 ( 1.048 3.083 -0.180) 3.261 6.649 ( -2.467 -6.919 -3.398) 8.094 6.649 ( -2.467 6.919 -3.398) 8.094 6.780 ( 1.600 -3.706 -0.278) 4.046 6.780 ( 1.600 3.706 -0.278) 4.046 6.920 ( -1.525 -3.669 -0.171) 3.977 6.920 ( -1.525 3.669 -0.171) 3.977 7.104 ( -2.167 -2.517 -3.145) 4.575 7.104 ( -2.167 2.517 -3.145) 4.575 7.288 ( -1.054 -3.505 -2.228) 4.284 7.288 ( -1.054 3.505 -2.228) 4.284 7.578 ( 4.927 -2.832 2.782) 6.327 7.578 ( 4.927 2.832 2.782) 6.327 7.828 ( -7.297 -3.448 -5.235) 9.620 7.828 ( -7.297 3.448 -5.235) 9.620 8.070 ( 7.087 -3.895 3.546) 8.830 8.070 ( 7.087 3.895 3.546) 8.830 8.297 ( -0.910 -7.872 -1.808) 8.128 8.297 ( -0.910 7.872 -1.808) 8.128 8.444 ( -1.636 -6.187 2.406) 6.837 8.444 ( -1.636 6.187 2.406) 6.837 8.623 ( 0.295 -2.056 0.305) 2.099 8.623 ( 0.295 2.056 0.305) 2.099 9.027 ( 0.701 -3.568 -3.258) 4.882 9.027 ( 0.701 3.569 -3.258) 4.882 9.209 ( 0.710 -3.350 4.849) 5.936 9.209 ( 0.710 3.350 4.849) 5.936 11.005 ( -0.288 -3.151 -0.215) 3.171 11.005 ( -0.288 3.151 -0.215) 3.171 11.075 ( -0.467 -4.400 -0.300) 4.435 11.075 ( -0.467 4.400 -0.300) 4.435 11.471 ( -4.087 -7.695 2.600) 9.092 11.471 ( -4.087 7.695 2.600) 9.092 11.630 ( 4.411 -7.428 -0.733) 8.670 11.630 ( 4.411 7.428 -0.733) 8.670 13.703 ( 1.229 -0.292 1.416) 1.897 13.703 ( 1.229 0.292 1.416) 1.897 13.896 ( -2.095 -1.851 -3.928) 4.821 13.896 ( -2.095 1.851 -3.928) 4.821 14.269 ( 0.644 -4.801 3.097) 5.749 14.269 ( 0.644 4.801 3.097) 5.749 14.474 ( -0.033 -7.076 -2.433) 7.483 14.474 ( -0.033 7.076 -2.433) 7.483 14.815 ( 0.163 -5.857 -0.553) 5.885 14.815 ( 0.163 5.857 -0.553) 5.885 15.062 ( -0.007 -4.077 1.880) 4.490 15.062 ( -0.007 4.077 1.880) 4.490 22.899 ( -0.427 -7.006 0.192) 7.021 22.899 ( -0.427 7.006 0.192) 7.021 22.935 ( 0.369 -7.396 -0.280) 7.411 22.935 ( 0.369 7.396 -0.280) 7.411 24.766 ( -0.137 -13.870 1.025) 13.909 24.766 ( -0.137 13.870 1.025) 13.909 24.930 ( 0.425 -11.308 -0.402) 11.323 24.930 ( 0.425 11.308 -0.402) 11.323 25.789 ( -1.512 -2.747 -1.916) 3.674 25.789 ( -1.512 2.747 -1.916) 3.674 26.084 ( 0.944 -2.843 0.558) 3.047 26.084 ( 0.944 2.843 0.558) 3.047 27.154 ( -1.475 -1.074 -0.981) 2.072 27.154 ( -1.475 1.074 -0.981) 2.072 27.266 ( 1.437 -3.117 1.242) 3.650 27.266 ( 1.437 3.117 1.242) 3.650 28.341 ( 0.312 -2.516 3.030) 3.951 28.341 ( 0.312 2.516 3.030) 3.951 28.671 ( -1.515 -1.583 -5.271) 5.709 28.671 ( -1.515 1.583 -5.271) 5.709 29.248 ( 2.826 -3.621 2.004) 5.011 29.248 ( 2.826 3.621 2.004) 5.011 29.461 ( -1.170 -0.489 0.117) 1.273 29.461 ( -1.170 0.489 0.117) 1.273 31.978 ( -0.227 -0.313 0.666) 0.771 31.978 ( -0.227 0.313 0.666) 0.771 32.141 ( 0.262 -0.313 -0.782) 0.882 32.141 ( 0.262 0.313 -0.782) 0.882 35.305 ( -0.066 -3.871 0.252) 3.880 35.305 ( -0.066 3.871 0.252) 3.880 35.341 ( 0.031 -1.514 -0.309) 1.545 35.341 ( 0.031 1.514 -0.309) 1.545 39.299 ( 0.005 -1.494 0.025) 1.494 39.299 ( 0.005 1.494 0.025) 1.494 39.388 ( -0.027 -1.070 -0.017) 1.071 39.388 ( -0.027 1.070 -0.017) 1.071 47.072 ( -0.044 -4.806 0.199) 4.811 47.072 ( -0.044 4.806 0.199) 4.811 47.183 ( 0.042 -5.479 -0.257) 5.485 47.183 ( 0.042 5.479 -0.257) 5.485 65.368 ( -1.092 -13.202 -0.830) 13.273 65.368 ( -1.092 13.202 -0.830) 13.273 66.450 ( 1.694 -2.361 -0.672) 2.982 66.450 ( 1.694 2.361 -0.672) 2.982 85.205 ( -0.160 -1.468 -0.063) 1.478 85.205 ( -0.160 1.468 -0.063) 1.478 85.309 ( -0.038 -1.367 0.309) 1.402 85.309 ( -0.038 1.367 0.309) 1.402 87.305 ( 0.613 -1.432 2.821) 3.222 87.305 ( 0.613 1.432 2.821) 3.222 87.597 ( -0.909 -7.421 -3.683) 8.334 87.597 ( -0.909 7.421 -3.683) 8.334 ======================= Grid point 93 (50/90) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -2.670 -15.260 -5.046) 16.293 2.556 ( -2.670 15.260 -5.046) 16.293 2.638 ( -4.391 -7.275 1.541) 8.636 2.638 ( -4.391 7.275 1.541) 8.636 2.891 ( -6.139 -3.387 -2.508) 7.447 2.891 ( -6.139 3.387 -2.508) 7.447 3.143 ( -3.412 -4.027 -6.531) 8.397 3.143 ( -3.412 4.027 -6.531) 8.397 3.364 ( -6.729 -4.304 1.027) 8.053 3.364 ( -6.729 4.304 1.027) 8.053 3.644 ( -19.833 -2.529 3.581) 20.311 3.644 ( -19.833 2.529 3.581) 20.311 3.800 ( -6.846 -2.602 4.372) 8.530 3.800 ( -6.846 2.602 4.372) 8.530 3.915 ( 3.690 -6.516 0.897) 7.542 3.915 ( 3.690 6.516 0.897) 7.542 4.112 ( 2.567 -4.768 8.254) 9.872 4.112 ( 2.567 4.768 8.254) 9.872 4.353 ( 5.384 -6.013 0.575) 8.091 4.353 ( 5.384 6.013 0.575) 8.091 4.529 ( 3.983 -8.604 3.689) 10.174 4.529 ( 3.983 8.604 3.689) 10.174 4.830 ( 4.521 -5.368 -2.066) 7.316 4.830 ( 4.521 5.368 -2.066) 7.316 4.990 ( 4.532 -4.779 -3.700) 7.554 4.990 ( 4.532 4.779 -3.700) 7.554 5.219 ( 8.940 -8.610 0.932) 12.447 5.219 ( 8.940 8.610 0.932) 12.447 5.406 ( 6.396 -4.942 0.475) 8.097 5.406 ( 6.396 4.942 0.475) 8.097 5.507 ( 1.444 -3.366 -3.044) 4.762 5.507 ( 1.444 3.366 -3.044) 4.762 5.762 ( -1.575 -4.815 0.403) 5.082 5.762 ( -1.575 4.815 0.403) 5.082 5.828 ( 3.081 -4.788 -1.210) 5.821 5.828 ( 3.081 4.788 -1.210) 5.821 6.022 ( 0.148 -2.424 0.691) 2.525 6.022 ( 0.148 2.424 0.691) 2.525 6.178 ( -1.302 -3.780 0.553) 4.036 6.178 ( -1.302 3.780 0.553) 4.036 6.214 ( -0.613 -0.570 3.243) 3.349 6.214 ( -0.613 0.570 3.243) 3.349 6.278 ( 0.368 -2.255 -1.765) 2.887 6.278 ( 0.368 2.255 -1.765) 2.887 6.498 ( 0.226 -4.039 -3.002) 5.038 6.498 ( 0.226 4.039 -3.002) 5.038 6.630 ( 0.657 -0.656 0.308) 0.978 6.630 ( 0.657 0.656 0.308) 0.978 6.841 ( -1.237 -3.106 -2.133) 3.966 6.841 ( -1.237 3.106 -2.133) 3.966 6.865 ( 4.020 -2.191 1.478) 4.811 6.865 ( 4.020 2.191 1.478) 4.811 7.089 ( 0.634 -3.934 -1.805) 4.375 7.089 ( 0.634 3.934 -1.805) 4.375 7.273 ( 0.629 -3.155 -2.129) 3.858 7.273 ( 0.629 3.155 -2.129) 3.858 7.593 ( -6.233 -1.736 -3.547) 7.379 7.593 ( -6.233 1.736 -3.547) 7.379 7.751 ( 3.120 -1.495 1.740) 3.872 7.751 ( 3.120 1.495 1.740) 3.872 8.115 ( -3.712 -2.277 0.131) 4.357 8.115 ( -3.712 2.277 0.131) 4.357 8.313 ( 1.679 -2.747 -1.524) 3.562 8.313 ( 1.679 2.747 -1.524) 3.562 8.387 ( -5.202 -4.213 0.017) 6.694 8.387 ( -5.202 4.213 0.017) 6.694 8.599 ( -1.687 -3.167 4.140) 5.478 8.599 ( -1.687 3.167 4.140) 5.478 9.024 ( 1.243 -3.793 -3.718) 5.455 9.024 ( 1.243 3.793 -3.718) 5.455 9.323 ( 8.116 -6.098 4.238) 11.001 9.323 ( 8.116 6.098 4.238) 11.001 11.004 ( 0.293 -2.084 0.211) 2.115 11.004 ( 0.293 2.084 0.211) 2.115 11.070 ( -0.094 -1.998 -0.568) 2.080 11.070 ( -0.094 1.998 -0.568) 2.080 11.366 ( -7.444 -5.495 0.519) 9.267 11.366 ( -7.444 5.495 0.519) 9.267 11.715 ( 4.155 -9.802 1.056) 10.699 11.715 ( 4.155 9.802 1.056) 10.699 13.688 ( -3.409 -1.680 1.341) 4.030 13.688 ( -3.409 1.680 1.341) 4.030 13.839 ( -1.812 -3.577 -3.266) 5.172 13.839 ( -1.812 3.577 -3.266) 5.172 14.296 ( 0.546 -5.114 2.916) 5.912 14.296 ( 0.546 5.114 2.916) 5.912 14.474 ( 1.326 -5.653 -2.740) 6.421 14.474 ( 1.326 5.653 -2.740) 6.421 14.826 ( 1.244 -4.334 -0.438) 4.531 14.826 ( 1.244 4.334 -0.438) 4.531 15.052 ( -1.999 -4.518 1.669) 5.215 15.052 ( -1.999 4.518 1.669) 5.215 22.887 ( -0.299 -6.789 0.103) 6.796 22.887 ( -0.299 6.789 0.103) 6.796 22.977 ( 3.387 -6.817 -0.184) 7.615 22.977 ( 3.387 6.817 -0.184) 7.615 24.757 ( -1.394 -12.992 0.840) 13.094 24.757 ( -1.394 12.992 0.840) 13.094 24.912 ( -1.796 -10.856 -0.309) 11.008 24.912 ( -1.796 10.856 -0.309) 11.008 25.796 ( 3.053 -1.718 -1.404) 3.774 25.796 ( 3.053 1.718 -1.404) 3.774 26.130 ( 3.491 -3.052 0.233) 4.643 26.130 ( 3.491 3.052 0.233) 4.643 27.129 ( -0.768 -1.901 -0.387) 2.086 27.129 ( -0.768 1.901 -0.387) 2.086 27.305 ( 2.101 -3.236 0.607) 3.906 27.305 ( 2.101 3.236 0.607) 3.906 28.338 ( -2.343 -2.586 2.708) 4.417 28.338 ( -2.343 2.586 2.708) 4.417 28.648 ( 2.136 -1.131 -4.127) 4.783 28.648 ( 2.136 1.131 -4.127) 4.783 29.214 ( -6.137 -6.473 0.059) 8.920 29.214 ( -6.137 6.473 0.059) 8.920 29.498 ( 3.778 -6.203 1.218) 7.364 29.498 ( 3.778 6.203 1.218) 7.364 31.971 ( -0.866 -0.188 0.697) 1.127 31.971 ( -0.866 0.188 0.697) 1.127 32.134 ( -0.583 -0.250 -0.812) 1.030 32.134 ( -0.583 0.250 -0.812) 1.030 35.303 ( -0.245 -3.607 0.275) 3.626 35.303 ( -0.245 3.607 0.275) 3.626 35.340 ( 0.026 -0.971 -0.316) 1.021 35.340 ( 0.026 0.971 -0.316) 1.021 39.303 ( 0.344 -1.985 0.025) 2.015 39.303 ( 0.344 1.985 0.025) 2.015 39.397 ( 0.885 -1.579 -0.025) 1.811 39.397 ( 0.885 1.579 -0.025) 1.811 47.074 ( 0.071 -4.596 0.188) 4.600 47.074 ( 0.071 4.596 0.188) 4.600 47.180 ( -0.247 -5.075 -0.238) 5.086 47.180 ( -0.247 5.075 -0.238) 5.086 65.344 ( -0.992 -15.070 -0.768) 15.122 65.344 ( -0.992 15.070 -0.768) 15.122 66.442 ( -2.112 -12.522 -0.559) 12.711 66.442 ( -2.112 12.522 -0.559) 12.711 85.225 ( 2.242 -2.094 -0.469) 3.103 85.225 ( 2.242 2.094 -0.469) 3.103 85.340 ( 2.980 -2.361 0.641) 3.856 85.340 ( 2.980 2.361 0.641) 3.856 87.347 ( 1.962 -1.999 3.721) 4.657 87.347 ( 1.962 1.999 3.721) 4.657 87.562 ( -0.561 -5.552 -4.544) 7.197 87.562 ( -0.561 5.552 -4.544) 7.197 ======================= Grid point 95 (51/90) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -7.252 -2.899 -2.927) 8.340 2.441 ( -7.252 2.899 -2.927) 8.340 2.508 ( -9.982 -1.090 1.686) 10.182 2.508 ( -9.982 1.090 1.686) 10.182 2.712 ( -10.710 -2.946 -4.556) 12.006 2.712 ( -10.710 2.946 -4.556) 12.006 3.072 ( -1.197 -3.939 -6.275) 7.505 3.072 ( -1.197 3.939 -6.275) 7.505 3.283 ( -7.980 -6.328 3.391) 10.734 3.283 ( -7.980 6.328 3.391) 10.734 3.361 ( -4.791 -11.906 10.675) 16.693 3.361 ( -4.791 11.906 10.675) 16.693 3.708 ( -4.975 -2.850 0.404) 5.748 3.708 ( -4.975 2.850 0.404) 5.748 3.969 ( -1.884 -4.981 -0.511) 5.350 3.969 ( -1.884 4.981 -0.511) 5.350 4.165 ( 1.523 -1.472 0.838) 2.278 4.165 ( 1.523 1.472 0.838) 2.278 4.481 ( 7.891 -3.918 3.166) 9.361 4.481 ( 7.891 3.918 3.166) 9.361 4.524 ( -0.745 -1.742 -1.319) 2.309 4.524 ( -0.745 1.742 -1.319) 2.309 4.937 ( 3.333 -3.990 1.455) 5.399 4.937 ( 3.333 3.990 1.455) 5.399 5.084 ( 7.662 -5.500 -4.109) 10.288 5.084 ( 7.662 5.500 -4.109) 10.288 5.357 ( 3.620 -4.409 -2.418) 6.196 5.357 ( 3.620 4.409 -2.418) 6.196 5.485 ( 2.373 -2.114 -4.453) 5.471 5.485 ( 2.373 2.114 -4.453) 5.471 5.597 ( 8.352 -5.548 1.820) 10.190 5.597 ( 8.352 5.548 1.820) 10.190 5.697 ( -1.995 -1.210 0.447) 2.376 5.697 ( -1.995 1.210 0.447) 2.376 5.842 ( -0.694 -11.387 -1.021) 11.454 5.842 ( -0.694 11.387 -1.021) 11.454 6.030 ( -2.127 -3.328 4.519) 6.002 6.030 ( -2.127 3.328 4.519) 6.002 6.178 ( 0.199 -4.140 2.192) 4.689 6.178 ( 0.199 4.140 2.192) 4.689 6.240 ( 2.307 -4.457 4.024) 6.433 6.240 ( 2.307 4.457 4.024) 6.433 6.354 ( 7.950 -4.591 -1.917) 9.379 6.354 ( 7.950 4.591 -1.917) 9.379 6.488 ( 0.388 -2.151 -3.864) 4.439 6.488 ( 0.388 2.151 -3.864) 4.439 6.627 ( -0.588 -1.569 -0.879) 1.892 6.627 ( -0.588 1.569 -0.879) 1.892 6.773 ( -3.071 -1.565 1.552) 3.780 6.773 ( -3.071 1.565 1.552) 3.780 7.027 ( 5.416 -0.633 -0.988) 5.542 7.027 ( 5.416 0.633 -0.988) 5.542 7.081 ( 2.223 -2.823 -0.153) 3.596 7.081 ( 2.223 2.823 -0.153) 3.596 7.298 ( 2.833 -3.935 -0.124) 4.851 7.298 ( 2.833 3.935 -0.124) 4.851 7.468 ( -3.989 -6.630 -1.665) 7.915 7.468 ( -3.989 6.630 -1.665) 7.915 7.810 ( 1.278 -3.293 0.174) 3.536 7.810 ( 1.278 3.293 0.174) 3.536 8.005 ( -6.266 -0.841 -4.106) 7.538 8.005 ( -6.266 0.841 -4.106) 7.538 8.187 ( -9.890 -9.249 0.023) 13.541 8.187 ( -9.891 9.249 0.023) 13.541 8.374 ( 0.153 -2.035 1.105) 2.320 8.374 ( 0.153 2.035 1.105) 2.320 8.577 ( -3.597 -4.195 2.256) 5.969 8.577 ( -3.597 4.195 2.256) 5.969 9.079 ( 6.280 -3.279 -1.756) 7.299 9.079 ( 6.280 3.279 -1.756) 7.299 9.497 ( 7.996 -4.565 1.968) 9.415 9.497 ( 7.996 4.565 1.968) 9.415 11.020 ( 0.816 -3.721 1.966) 4.287 11.020 ( 0.816 3.721 1.966) 4.287 11.062 ( -0.276 -2.584 -1.096) 2.820 11.062 ( -0.276 2.584 -1.096) 2.820 11.233 ( -6.477 -4.107 0.510) 7.687 11.233 ( -6.477 4.107 0.510) 7.687 11.770 ( 1.166 -9.555 -0.375) 9.633 11.770 ( 1.166 9.555 -0.375) 9.633 13.614 ( -4.016 -2.849 -1.261) 5.083 13.614 ( -4.016 2.849 -1.261) 5.083 13.803 ( -1.329 -7.647 1.017) 7.828 13.803 ( -1.329 7.647 1.017) 7.828 14.316 ( 0.276 -4.172 1.739) 4.529 14.316 ( 0.276 4.172 1.739) 4.529 14.492 ( 1.808 -4.048 -2.271) 4.981 14.492 ( 1.808 4.048 -2.271) 4.981 14.850 ( 1.345 -3.283 -0.541) 3.589 14.850 ( 1.345 3.283 -0.541) 3.589 15.015 ( -2.450 -4.521 1.171) 5.274 15.015 ( -2.450 4.521 1.171) 5.274 22.891 ( 0.459 -5.724 0.249) 5.748 22.891 ( 0.459 5.724 0.249) 5.748 23.040 ( 3.255 -5.217 -0.251) 6.154 23.040 ( 3.255 5.217 -0.251) 6.154 24.727 ( -1.966 -14.035 0.691) 14.189 24.727 ( -1.966 14.035 0.691) 14.189 24.874 ( -1.834 -13.095 -0.663) 13.239 24.874 ( -1.834 13.095 -0.663) 13.239 25.870 ( 4.636 -2.166 0.527) 5.145 25.870 ( 4.636 2.166 0.527) 5.145 26.199 ( 3.688 -5.214 -0.680) 6.423 26.199 ( 3.688 5.214 -0.680) 6.423 27.121 ( -0.228 -2.481 0.782) 2.612 27.121 ( -0.228 2.481 0.782) 2.612 27.342 ( 1.666 -3.535 -0.619) 3.956 27.342 ( 1.666 3.535 -0.619) 3.956 28.294 ( -2.903 -2.004 1.355) 3.779 28.294 ( -2.903 2.004 1.355) 3.779 28.705 ( 4.913 -1.257 -1.134) 5.197 28.705 ( 4.913 1.257 -1.134) 5.197 29.073 ( -7.834 -5.858 -2.235) 10.034 29.073 ( -7.834 5.858 -2.235) 10.034 29.566 ( 2.322 -4.746 1.506) 5.494 29.566 ( 2.322 4.746 1.506) 5.494 31.957 ( -0.911 -0.087 0.827) 1.234 31.957 ( -0.911 0.087 0.827) 1.234 32.115 ( -0.835 -0.185 -0.947) 1.276 32.115 ( -0.835 0.185 -0.947) 1.276 35.300 ( -0.211 -3.549 0.318) 3.569 35.300 ( -0.211 3.549 0.318) 3.569 35.338 ( -0.015 -1.272 -0.299) 1.307 35.338 ( -0.015 1.272 -0.299) 1.307 39.310 ( 0.421 -2.505 0.016) 2.540 39.310 ( 0.421 2.505 0.016) 2.540 39.416 ( 1.070 -2.270 -0.018) 2.509 39.416 ( 1.070 2.270 -0.018) 2.509 47.076 ( 0.113 -4.494 0.164) 4.498 47.076 ( 0.113 4.494 0.164) 4.498 47.174 ( -0.306 -4.737 -0.190) 4.751 47.174 ( -0.306 4.737 -0.190) 4.751 65.329 ( -0.436 -18.191 0.397) 18.201 65.329 ( -0.436 18.191 0.397) 18.201 66.380 ( -3.628 -19.039 -1.482) 19.438 66.380 ( -3.628 19.039 -1.482) 19.438 85.269 ( 2.551 -2.970 -0.953) 4.029 85.269 ( 2.551 2.970 -0.953) 4.029 85.411 ( 3.768 -2.589 1.080) 4.697 85.411 ( 3.768 2.589 1.080) 4.697 87.399 ( 1.318 -2.543 3.104) 4.223 87.399 ( 1.318 2.543 3.104) 4.223 87.541 ( 0.821 -3.697 -3.508) 5.162 87.541 ( 0.821 3.697 -3.508) 5.162 ======================= Grid point 97 (52/90) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -8.334 -4.202 -0.749) 9.364 2.276 ( -8.334 4.202 -0.749) 9.364 2.338 ( -4.735 -3.665 -7.678) 9.737 2.338 ( -4.735 3.665 -7.678) 9.737 2.592 ( -0.230 -3.469 6.184) 7.094 2.592 ( -0.230 3.469 6.184) 7.094 3.013 ( -0.991 -9.667 -2.004) 9.923 3.013 ( -0.991 9.667 -2.004) 9.923 3.257 ( -0.387 -8.640 3.684) 9.400 3.257 ( -0.387 8.640 3.684) 9.400 3.386 ( -1.008 -8.461 11.035) 13.942 3.386 ( -1.008 8.461 11.035) 13.942 3.619 ( -2.699 -1.232 -3.268) 4.414 3.619 ( -2.699 1.232 -3.268) 4.414 3.911 ( -1.212 -8.104 -6.770) 10.629 3.911 ( -1.212 8.104 -6.770) 10.629 4.146 ( -2.635 -5.964 0.635) 6.551 4.146 ( -2.635 5.965 0.635) 6.551 4.473 ( -2.592 -3.294 -2.364) 4.812 4.473 ( -2.592 3.294 -2.364) 4.812 4.696 ( 8.660 -5.103 3.935) 10.794 4.696 ( 8.660 5.103 3.935) 10.794 4.975 ( 1.740 -5.287 -1.288) 5.713 4.975 ( 1.740 5.287 -1.288) 5.713 5.127 ( -1.246 -3.024 -1.129) 3.460 5.127 ( -1.246 3.024 -1.129) 3.460 5.346 ( -1.151 -3.065 -5.256) 6.193 5.346 ( -1.151 3.065 -5.256) 6.193 5.521 ( 3.864 -2.874 -3.943) 6.224 5.521 ( 3.864 2.874 -3.943) 6.224 5.662 ( 1.276 -5.824 0.024) 5.962 5.662 ( 1.276 5.824 0.024) 5.962 5.741 ( 0.491 -8.725 4.098) 9.652 5.741 ( 0.491 8.725 4.098) 9.652 5.889 ( 3.929 -2.557 1.022) 4.798 5.889 ( 3.929 2.557 1.022) 4.798 5.986 ( -1.888 -3.887 1.776) 4.672 5.986 ( -1.888 3.887 1.776) 4.672 6.167 ( -1.115 -4.960 0.076) 5.084 6.167 ( -1.115 4.960 0.076) 5.084 6.303 ( -0.489 -3.249 3.590) 4.867 6.303 ( -0.489 3.249 3.590) 4.867 6.462 ( -0.369 -6.069 -0.745) 6.126 6.462 ( -0.369 6.069 -0.745) 6.126 6.505 ( 5.634 -5.083 1.746) 7.786 6.505 ( 5.634 5.083 1.746) 7.786 6.602 ( -1.507 -3.755 -0.438) 4.070 6.602 ( -1.507 3.755 -0.438) 4.070 6.799 ( 5.722 -3.692 1.933) 7.079 6.799 ( 5.722 3.692 1.933) 7.079 6.946 ( -5.797 -2.711 -2.079) 6.729 6.946 ( -5.797 2.711 -2.079) 6.729 7.219 ( 5.849 -3.896 0.468) 7.043 7.219 ( 5.849 3.896 0.468) 7.043 7.351 ( 0.944 -12.136 -1.184) 12.231 7.351 ( 0.944 12.136 -1.184) 12.231 7.447 ( 1.597 -14.012 1.362) 14.168 7.447 ( 1.597 14.012 1.362) 14.169 7.792 ( -1.369 -4.649 -2.234) 5.336 7.792 ( -1.369 4.649 -2.234) 5.336 7.886 ( -3.286 -1.286 -2.044) 4.078 7.886 ( -3.286 1.286 -2.044) 4.078 8.042 ( -5.490 -9.698 -1.238) 11.213 8.042 ( -5.490 9.698 -1.238) 11.213 8.375 ( -0.400 -2.608 2.364) 3.543 8.375 ( -0.400 2.608 2.364) 3.543 8.513 ( -2.635 -4.427 -1.641) 5.407 8.513 ( -2.635 4.427 -1.641) 5.407 9.195 ( 5.098 -1.327 2.239) 5.725 9.195 ( 5.098 1.327 2.239) 5.725 9.588 ( 0.974 -2.964 -2.346) 3.903 9.588 ( 0.974 2.964 -2.346) 3.903 11.025 ( -1.187 -2.677 0.940) 3.075 11.025 ( -1.187 2.677 0.940) 3.075 11.089 ( 3.462 -4.367 3.041) 6.348 11.089 ( 3.462 4.367 3.041) 6.348 11.155 ( -2.627 -2.636 1.448) 3.993 11.155 ( -2.627 2.636 1.448) 3.993 11.750 ( -1.960 -8.116 -4.126) 9.313 11.750 ( -1.960 8.116 -4.126) 9.313 13.548 ( -1.789 -1.633 -2.674) 3.608 13.548 ( -1.789 1.633 -2.674) 3.608 13.807 ( 0.287 -8.034 4.253) 9.095 13.807 ( 0.287 8.034 4.253) 9.095 14.319 ( -0.513 -2.779 0.433) 2.859 14.319 ( -0.513 2.779 0.433) 2.859 14.512 ( 1.336 -3.402 -1.618) 3.997 14.512 ( 1.336 3.402 -1.618) 3.997 14.864 ( 0.466 -3.820 -0.694) 3.911 14.864 ( 0.466 3.820 -0.694) 3.911 14.985 ( -1.211 -4.417 0.792) 4.648 14.985 ( -1.211 4.417 0.792) 4.648 22.901 ( 0.306 -4.387 0.418) 4.418 22.901 ( 0.306 4.387 0.418) 4.418 23.082 ( 1.324 -3.663 -0.328) 3.909 23.082 ( 1.324 3.663 -0.328) 3.909 24.704 ( -0.807 -15.678 1.034) 15.732 24.704 ( -0.807 15.678 1.034) 15.732 24.843 ( -0.947 -15.075 -1.475) 15.176 24.843 ( -0.947 15.075 -1.475) 15.176 25.949 ( 2.668 -3.098 2.490) 4.787 25.949 ( 2.668 3.098 2.490) 4.787 26.242 ( 1.346 -6.831 -1.654) 7.156 26.242 ( 1.346 6.831 -1.654) 7.156 27.128 ( 0.228 -2.785 2.085) 3.486 27.128 ( 0.228 2.785 2.085) 3.486 27.355 ( 0.346 -3.642 -1.888) 4.117 27.355 ( 0.346 3.642 -1.888) 4.117 28.262 ( -1.135 -1.503 1.326) 2.303 28.262 ( -1.135 1.503 1.326) 2.303 28.788 ( 3.317 -0.844 -0.961) 3.555 28.788 ( 3.317 0.844 -0.961) 3.555 28.939 ( -3.994 -4.137 -2.353) 6.213 28.939 ( -3.994 4.137 -2.353) 6.213 29.593 ( 0.096 -1.840 1.015) 2.103 29.593 ( 0.096 1.840 1.014) 2.103 31.949 ( -0.478 -0.334 0.983) 1.143 31.949 ( -0.478 0.334 0.983) 1.143 32.099 ( -0.259 -0.258 -1.109) 1.168 32.099 ( -0.259 0.258 -1.109) 1.168 35.298 ( -0.130 -3.889 0.348) 3.907 35.298 ( -0.130 3.889 0.348) 3.907 35.337 ( 0.048 -1.999 -0.277) 2.019 35.337 ( 0.048 1.999 -0.277) 2.019 39.316 ( 0.176 -2.671 0.006) 2.677 39.316 ( 0.176 2.671 0.006) 2.677 39.431 ( 0.481 -2.612 0.001) 2.656 39.431 ( 0.481 2.612 0.001) 2.656 47.079 ( 0.039 -4.633 0.155) 4.636 47.079 ( 0.039 4.633 0.155) 4.636 47.169 ( -0.112 -4.771 -0.165) 4.776 47.169 ( -0.112 4.771 -0.165) 4.776 65.335 ( 0.526 -20.097 2.055) 20.208 65.335 ( 0.526 20.097 2.055) 20.208 66.311 ( -2.277 -20.126 -3.003) 20.476 66.311 ( -2.277 20.126 -3.003) 20.476 85.299 ( 1.146 -3.207 -1.140) 3.592 85.299 ( 1.146 3.207 -1.140) 3.592 85.470 ( 1.607 -2.349 1.289) 3.124 85.470 ( 1.607 2.349 1.289) 3.124 87.408 ( -1.149 -2.667 0.227) 2.913 87.408 ( -1.149 2.667 0.227) 2.913 87.565 ( 2.442 -3.805 -0.171) 4.524 87.565 ( 2.443 3.805 -0.171) 4.524 ======================= Grid point 99 (53/90) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 1.879 -10.028 -2.242) 10.446 2.182 ( 1.879 10.028 -2.242) 10.446 2.384 ( 11.575 -8.177 -6.187) 15.463 2.384 ( 11.575 8.177 -6.187) 15.463 2.712 ( 7.768 -7.030 8.326) 13.382 2.712 ( 7.768 7.030 8.326) 13.382 3.037 ( 3.762 -9.222 1.192) 10.031 3.037 ( 3.762 9.222 1.192) 10.031 3.213 ( -4.541 -6.898 0.335) 8.265 3.213 ( -4.541 6.898 0.335) 8.265 3.401 ( -1.982 -5.184 8.060) 9.786 3.401 ( -1.982 5.184 8.060) 9.786 3.636 ( 4.759 -4.365 0.196) 6.460 3.636 ( 4.759 4.365 0.196) 6.460 3.846 ( -2.027 -7.793 -8.606) 11.786 3.846 ( -2.027 7.793 -8.606) 11.786 4.124 ( -0.359 -7.403 0.537) 7.431 4.124 ( -0.359 7.403 0.537) 7.431 4.395 ( -3.969 -3.285 -2.577) 5.760 4.395 ( -3.969 3.285 -2.577) 5.760 4.742 ( -4.710 -6.432 2.515) 8.360 4.742 ( -4.710 6.432 2.515) 8.360 4.988 ( -1.766 -4.745 -0.548) 5.092 4.988 ( -1.766 4.745 -0.548) 5.092 5.104 ( 0.563 -4.602 -2.145) 5.109 5.104 ( 0.563 4.602 -2.145) 5.109 5.332 ( 2.655 -2.422 -4.739) 5.947 5.332 ( 2.655 2.422 -4.739) 5.947 5.543 ( 0.873 -6.707 -4.987) 8.403 5.543 ( 0.873 6.707 -4.987) 8.403 5.659 ( -3.110 -2.321 3.934) 5.526 5.659 ( -3.110 2.321 3.934) 5.526 5.733 ( -3.604 -2.150 1.318) 4.399 5.733 ( -3.604 2.150 1.318) 4.399 5.888 ( 1.073 -5.237 1.511) 5.555 5.888 ( 1.073 5.237 1.511) 5.555 6.035 ( 0.310 -6.508 0.676) 6.551 6.035 ( 0.310 6.508 0.676) 6.551 6.151 ( -0.609 -3.886 -0.306) 3.945 6.151 ( -0.609 3.886 -0.306) 3.945 6.222 ( -8.379 -3.774 2.789) 9.604 6.222 ( -8.379 3.774 2.789) 9.604 6.442 ( -0.798 -7.652 1.277) 7.799 6.442 ( -0.798 7.652 1.277) 7.799 6.529 ( 1.122 -4.258 -0.589) 4.442 6.529 ( 1.122 4.258 -0.589) 4.442 6.690 ( 4.680 -3.539 2.575) 6.408 6.690 ( 4.680 3.539 2.575) 6.408 6.792 ( -5.756 -1.253 0.632) 5.924 6.792 ( -5.756 1.253 0.632) 5.924 6.979 ( 6.965 -4.344 -0.863) 8.254 6.979 ( 6.965 4.344 -0.863) 8.254 7.260 ( -2.630 -1.659 1.157) 3.318 7.260 ( -2.630 1.659 1.157) 3.318 7.308 ( -1.980 -8.982 -0.471) 9.210 7.308 ( -1.980 8.982 -0.471) 9.210 7.486 ( 1.568 -9.185 2.573) 9.666 7.486 ( 1.568 9.185 2.573) 9.666 7.806 ( -0.139 -4.063 -6.995) 8.091 7.806 ( -0.139 4.063 -6.995) 8.091 7.890 ( 6.910 -4.443 0.927) 8.268 7.890 ( 6.910 4.443 0.927) 8.268 7.995 ( 3.262 -8.631 -0.510) 9.241 7.995 ( 3.262 8.631 -0.510) 9.241 8.385 ( -0.184 -1.115 0.148) 1.139 8.385 ( -0.184 1.115 0.148) 1.139 8.477 ( -0.261 -2.527 -0.912) 2.699 8.477 ( -0.261 2.527 -0.912) 2.699 9.266 ( 0.435 -1.252 5.343) 5.505 9.266 ( 0.435 1.252 5.343) 5.505 9.499 ( -7.829 -3.146 -5.859) 10.272 9.499 ( -7.829 3.146 -5.859) 10.272 11.013 ( -0.740 -0.523 1.384) 1.654 11.013 ( -0.740 0.523 1.384) 1.654 11.122 ( -0.440 -1.269 -0.729) 1.528 11.122 ( -0.440 1.269 -0.729) 1.528 11.218 ( 6.101 -3.569 8.387) 10.968 11.218 ( 6.101 3.569 8.387) 10.968 11.673 ( -2.640 -8.162 -7.610) 11.468 11.673 ( -2.640 8.163 -7.610) 11.468 13.530 ( 1.298 -2.688 -2.451) 3.862 13.530 ( 1.298 2.688 -2.451) 3.862 13.850 ( 1.863 -5.935 4.712) 7.803 13.850 ( 1.863 5.935 4.712) 7.803 14.300 ( -1.567 -1.305 -0.167) 2.046 14.300 ( -1.567 1.305 -0.167) 2.046 14.522 ( 0.509 -4.431 -1.342) 4.658 14.522 ( 0.509 4.431 -1.342) 4.658 14.860 ( -0.457 -5.074 -0.753) 5.149 14.860 ( -0.457 5.074 -0.753) 5.149 14.981 ( 0.352 -5.011 0.685) 5.070 14.981 ( 0.352 5.011 0.685) 5.070 22.903 ( -0.273 -2.902 0.486) 2.955 22.903 ( -0.273 2.902 0.486) 2.955 23.081 ( -1.271 -2.323 -0.365) 2.673 23.081 ( -1.271 2.323 -0.365) 2.673 24.711 ( 0.794 -16.586 1.379) 16.663 24.711 ( 0.794 16.586 1.379) 16.663 24.829 ( 0.540 -14.927 -1.948) 15.063 24.829 ( 0.540 14.927 -1.948) 15.063 25.979 ( -1.114 -3.935 3.510) 5.389 25.979 ( -1.114 3.935 3.510) 5.389 26.226 ( -1.952 -7.164 -2.379) 7.796 26.226 ( -1.952 7.164 -2.379) 7.796 27.149 ( 0.551 -3.032 3.061) 4.344 27.149 ( 0.551 3.032 3.061) 4.344 27.335 ( -1.143 -3.749 -2.835) 4.837 27.335 ( -1.143 3.749 -2.835) 4.837 28.265 ( 0.486 -1.764 1.415) 2.313 28.265 ( 0.486 1.764 1.415) 2.313 28.772 ( -2.217 -2.130 -1.423) 3.387 28.772 ( -2.217 2.130 -1.423) 3.387 28.954 ( 4.708 -4.316 -1.994) 6.692 28.954 ( 4.708 4.316 -1.994) 6.692 29.584 ( -1.511 -1.185 0.844) 2.098 29.584 ( -1.511 1.185 0.844) 2.098 31.950 ( 0.052 -0.392 1.024) 1.098 31.950 ( 0.052 0.392 1.024) 1.098 32.098 ( 0.747 -0.250 -1.151) 1.395 32.098 ( 0.747 0.250 -1.151) 1.395 35.298 ( -0.066 -4.179 0.338) 4.194 35.298 ( -0.066 4.179 0.338) 4.194 35.338 ( 0.177 -2.358 -0.252) 2.378 35.338 ( 0.177 2.358 -0.252) 2.378 39.316 ( -0.202 -2.388 0.001) 2.396 39.316 ( -0.202 2.388 0.001) 2.396 39.432 ( -0.424 -2.463 0.014) 2.499 39.432 ( -0.424 2.463 0.014) 2.499 47.079 ( -0.119 -4.888 0.156) 4.891 47.079 ( -0.119 4.888 0.156) 4.891 47.169 ( 0.215 -5.088 -0.162) 5.095 47.169 ( 0.215 5.088 -0.162) 5.095 65.363 ( 0.970 -19.958 2.855) 20.185 65.363 ( 0.970 19.958 2.855) 20.185 66.281 ( 1.021 -17.193 -3.863) 17.652 66.281 ( 1.022 17.193 -3.863) 17.652 85.297 ( -0.664 -2.976 -1.139) 3.255 85.297 ( -0.664 2.976 -1.139) 3.255 85.473 ( -1.982 -2.676 1.329) 3.585 85.473 ( -1.982 2.676 1.329) 3.585 87.373 ( -2.293 -1.535 -0.450) 2.795 87.373 ( -2.293 1.535 -0.450) 2.795 87.609 ( 1.817 -6.258 0.698) 6.554 87.609 ( 1.817 6.258 0.698) 6.554 ======================= Grid point 101 (54/90) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 13.121 -16.614 -2.966) 21.377 2.327 ( 13.121 16.614 -2.966) 21.377 2.584 ( 9.025 -14.237 0.141) 16.857 2.584 ( 9.025 14.237 0.141) 16.857 2.883 ( 4.963 -4.682 -0.948) 6.889 2.883 ( 4.963 4.682 -0.948) 6.889 3.164 ( 8.174 -9.322 2.369) 12.623 3.164 ( 8.174 9.322 2.369) 12.623 3.208 ( 9.575 -7.676 -0.169) 12.273 3.208 ( 9.575 7.676 -0.169) 12.273 3.443 ( 3.158 -1.576 7.017) 7.855 3.443 ( 3.158 1.576 7.017) 7.855 3.699 ( 0.183 -4.325 -2.725) 5.115 3.699 ( 0.183 4.325 -2.725) 5.115 3.796 ( 1.017 -7.806 -0.675) 7.901 3.796 ( 1.017 7.806 -0.675) 7.901 4.072 ( -5.690 -3.662 1.664) 6.968 4.072 ( -5.690 3.662 1.664) 6.968 4.353 ( 0.208 -3.607 -0.868) 3.716 4.353 ( 0.208 3.607 -0.868) 3.716 4.634 ( -7.405 -5.333 1.528) 9.252 4.634 ( -7.405 5.333 1.528) 9.252 4.895 ( -5.511 -4.113 -1.768) 7.100 4.895 ( -5.511 4.113 -1.768) 7.100 5.109 ( 0.561 -3.844 -3.441) 5.190 5.109 ( 0.561 3.844 -3.441) 5.190 5.309 ( -4.998 -5.825 -2.928) 8.215 5.309 ( -4.998 5.825 -2.928) 8.215 5.528 ( -1.428 -3.783 -4.090) 5.752 5.528 ( -1.428 3.783 -4.090) 5.752 5.601 ( -4.633 -5.099 2.057) 7.190 5.601 ( -4.633 5.099 2.057) 7.190 5.665 ( -2.640 -3.246 1.907) 4.598 5.665 ( -2.640 3.246 1.907) 4.598 5.858 ( -6.850 -2.796 -0.191) 7.402 5.858 ( -6.850 2.796 -0.191) 7.402 6.023 ( -0.523 -6.257 3.304) 7.096 6.023 ( -0.523 6.257 3.304) 7.096 6.086 ( 0.105 -4.029 -0.816) 4.112 6.086 ( 0.105 4.029 -0.816) 4.112 6.213 ( 3.329 -1.160 0.524) 3.564 6.213 ( 3.329 1.160 0.524) 3.564 6.410 ( -4.790 -1.887 0.719) 5.198 6.410 ( -4.790 1.887 0.719) 5.198 6.573 ( 1.865 -3.874 0.368) 4.315 6.573 ( 1.865 3.874 0.368) 4.315 6.684 ( -0.657 -1.841 -1.854) 2.694 6.684 ( -0.657 1.841 -1.854) 2.694 6.757 ( -0.779 -3.977 2.237) 4.629 6.757 ( -0.779 3.977 2.237) 4.629 7.027 ( -3.369 -1.503 0.354) 3.706 7.027 ( -3.369 1.503 0.354) 3.706 7.189 ( -3.066 -3.626 3.060) 5.649 7.189 ( -3.066 3.626 3.060) 5.649 7.304 ( 1.498 -3.134 -1.129) 3.653 7.304 ( 1.498 3.134 -1.129) 3.653 7.600 ( 8.804 -1.966 4.843) 10.239 7.600 ( 8.804 1.966 4.843) 10.239 7.683 ( -7.085 -6.536 -7.627) 12.292 7.683 ( -7.085 6.536 -7.627) 12.292 8.033 ( 5.542 -6.128 -0.099) 8.263 8.033 ( 5.542 6.128 -0.099) 8.263 8.193 ( 15.569 -5.413 -2.061) 16.612 8.193 ( 15.569 5.413 -2.061) 16.612 8.354 ( -1.319 -3.415 -1.895) 4.122 8.354 ( -1.319 3.415 -1.895) 4.122 8.482 ( -0.616 -2.907 2.473) 3.866 8.482 ( -0.616 2.907 2.473) 3.866 9.264 ( -3.832 -1.223 4.807) 6.268 9.264 ( -3.832 1.223 4.807) 6.268 9.290 ( -10.022 -4.383 -4.902) 11.987 9.290 ( -10.022 4.383 -4.902) 11.987 11.010 ( -0.240 -1.483 0.895) 1.748 11.010 ( -0.240 1.483 0.895) 1.748 11.111 ( -0.808 -2.533 0.180) 2.665 11.111 ( -0.808 2.533 0.180) 2.665 11.375 ( 5.615 -4.490 8.025) 10.774 11.375 ( 5.615 4.490 8.025) 10.774 11.599 ( -0.790 -7.831 -7.919) 11.165 11.599 ( -0.790 7.831 -7.919) 11.165 13.569 ( 3.822 -4.017 -1.453) 5.732 13.569 ( 3.822 4.017 -1.453) 5.732 13.909 ( 2.102 -4.547 2.531) 5.613 13.909 ( 2.102 4.547 2.531) 5.613 14.267 ( -1.830 -2.106 0.426) 2.822 14.267 ( -1.830 2.106 0.426) 2.822 14.516 ( -0.385 -6.248 -1.507) 6.439 14.516 ( -0.385 6.248 -1.507) 6.439 14.843 ( -0.936 -6.117 -0.695) 6.227 14.843 ( -0.936 6.117 -0.695) 6.227 15.002 ( 1.492 -5.063 0.924) 5.358 15.002 ( 1.492 5.063 0.924) 5.358 22.897 ( -0.523 -1.474 0.413) 1.618 22.897 ( -0.523 1.474 0.413) 1.618 23.036 ( -3.170 -1.420 -0.344) 3.490 23.036 ( -3.170 1.420 -0.344) 3.490 24.737 ( 1.068 -16.664 1.116) 16.735 24.737 ( 1.068 16.664 1.116) 16.735 24.849 ( 2.561 -13.785 -1.416) 14.092 24.849 ( 2.561 13.785 -1.416) 14.092 25.943 ( -4.326 -4.379 2.672) 6.711 25.943 ( -4.326 4.379 2.672) 6.711 26.159 ( -3.617 -6.054 -2.107) 7.360 26.159 ( -3.617 6.054 -2.107) 7.360 27.174 ( 0.343 -3.010 3.167) 4.382 27.174 ( 0.343 3.010 3.167) 4.382 27.290 ( -1.961 -3.990 -2.974) 5.349 27.290 ( -1.961 3.990 -2.974) 5.349 28.286 ( 1.022 -2.522 1.083) 2.929 28.286 ( 1.022 2.522 1.083) 2.929 28.744 ( -0.661 -2.762 0.106) 2.842 28.744 ( -0.661 2.762 0.106) 2.842 29.038 ( 5.830 -6.447 -3.334) 9.309 29.038 ( 5.830 6.447 -3.334) 9.309 29.551 ( -2.469 -3.725 1.241) 4.638 29.551 ( -2.469 3.725 1.241) 4.638 31.960 ( 0.457 -0.174 0.906) 1.029 31.960 ( 0.457 0.174 0.906) 1.029 32.113 ( 1.352 -0.057 -1.027) 1.699 32.113 ( 1.352 0.057 -1.027) 1.699 35.300 ( 0.052 -4.153 0.302) 4.164 35.300 ( 0.052 4.153 0.302) 4.164 35.340 ( 0.183 -2.249 -0.246) 2.270 35.340 ( 0.183 2.249 -0.246) 2.270 39.310 ( -0.430 -1.855 0.004) 1.904 39.310 ( -0.430 1.855 0.004) 1.904 39.417 ( -1.055 -1.927 0.012) 2.197 39.417 ( -1.055 1.927 0.012) 2.197 47.076 ( -0.214 -5.017 0.162) 5.024 47.076 ( -0.214 5.017 0.162) 5.024 47.174 ( 0.432 -5.426 -0.178) 5.446 47.174 ( 0.432 5.426 -0.178) 5.446 65.388 ( 0.210 -17.963 1.910) 18.066 65.388 ( 0.210 17.963 1.910) 18.066 66.314 ( 4.356 -13.110 -3.145) 14.168 66.314 ( 4.356 13.110 -3.145) 14.168 85.267 ( -1.858 -2.442 -0.932) 3.207 85.267 ( -1.858 2.442 -0.932) 3.207 85.417 ( -4.478 -2.565 1.159) 5.289 85.417 ( -4.478 2.565 1.159) 5.289 87.329 ( -2.297 -0.556 0.304) 2.382 87.329 ( -2.297 0.556 0.304) 2.382 87.632 ( 0.515 -8.334 -0.271) 8.354 87.632 ( 0.515 8.334 -0.271) 8.354 ======================= Grid point 103 (55/90) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 7.008 -18.618 -5.432) 20.621 2.509 ( 7.008 18.618 -5.432) 20.621 2.696 ( 1.690 -14.812 2.757) 15.161 2.696 ( 1.690 14.812 2.757) 15.161 2.932 ( 5.063 -3.192 -0.342) 5.995 2.932 ( 5.063 3.192 -0.342) 5.995 3.267 ( 2.684 -8.114 -5.296) 10.054 3.267 ( 2.684 8.114 -5.296) 10.054 3.480 ( 10.632 -4.498 -5.141) 12.637 3.480 ( 10.632 4.498 -5.141) 12.637 3.575 ( 6.496 -2.476 3.982) 8.012 3.575 ( 6.496 2.476 3.982) 8.012 3.705 ( 4.465 -2.440 4.098) 6.533 3.705 ( 4.465 2.440 4.098) 6.533 3.852 ( 7.463 -3.810 2.198) 8.663 3.852 ( 7.463 3.810 2.198) 8.663 4.046 ( 0.699 -2.008 10.409) 10.624 4.046 ( 0.699 2.008 10.409) 10.624 4.311 ( -6.618 -4.270 1.017) 7.942 4.311 ( -6.618 4.270 1.017) 7.942 4.474 ( -8.676 -3.160 -1.544) 9.362 4.474 ( -8.676 3.160 -1.544) 9.362 4.855 ( 1.384 -3.959 0.615) 4.239 4.855 ( 1.384 3.959 0.615) 4.239 5.028 ( -8.825 -4.543 -2.740) 10.297 5.028 ( -8.825 4.543 -2.740) 10.297 5.192 ( -4.574 -7.658 -2.524) 9.270 5.192 ( -4.574 7.658 -2.524) 9.270 5.383 ( -7.212 -8.752 0.506) 11.351 5.383 ( -7.212 8.752 0.506) 11.351 5.557 ( -2.389 -4.577 -3.105) 6.024 5.557 ( -2.389 4.577 -3.105) 6.024 5.644 ( 0.661 -12.486 -2.418) 12.736 5.644 ( 0.661 12.486 -2.418) 12.736 5.814 ( 0.943 -1.074 2.247) 2.663 5.814 ( 0.943 1.074 2.247) 2.663 6.000 ( -0.821 -6.330 1.000) 6.461 6.000 ( -0.821 6.330 1.000) 6.461 6.144 ( 3.464 -5.611 -0.411) 6.606 6.144 ( 3.464 5.611 -0.411) 6.606 6.266 ( -1.735 -3.178 0.044) 3.621 6.266 ( -1.735 3.178 0.044) 3.621 6.339 ( 0.511 -1.693 2.300) 2.902 6.339 ( 0.511 1.693 2.300) 2.902 6.530 ( -4.238 -3.323 -1.097) 5.496 6.530 ( -4.238 3.323 -1.097) 5.496 6.699 ( 0.397 -7.529 -4.460) 8.760 6.699 ( 0.397 7.529 -4.460) 8.760 6.771 ( 0.569 -4.473 2.942) 5.383 6.771 ( 0.569 4.473 2.942) 5.383 6.932 ( -3.485 -2.399 1.334) 4.436 6.932 ( -3.485 2.399 1.334) 4.436 7.167 ( -1.899 -2.987 -0.684) 3.605 7.167 ( -1.899 2.987 -0.684) 3.605 7.326 ( -0.641 -6.099 0.048) 6.133 7.326 ( -0.641 6.099 0.048) 6.133 7.535 ( -2.540 -1.934 -4.329) 5.379 7.535 ( -2.540 1.934 -4.329) 5.379 7.812 ( 9.703 -1.437 5.077) 11.045 7.812 ( 9.703 1.437 5.077) 11.045 8.039 ( -2.982 -6.655 -6.248) 9.603 8.039 ( -2.982 6.655 -6.248) 9.603 8.307 ( 1.001 -10.655 -1.352) 10.787 8.307 ( 1.001 10.655 -1.352) 10.787 8.458 ( 0.000 -5.948 1.694) 6.184 8.458 ( 0.000 5.948 1.694) 6.184 8.505 ( 9.752 -5.208 3.156) 11.498 8.505 ( 9.752 5.208 3.156) 11.498 9.093 ( -6.307 -7.375 -5.776) 11.293 9.093 ( -6.307 7.375 -5.776) 11.293 9.225 ( -3.966 -3.244 5.866) 7.788 9.225 ( -3.966 3.244 5.866) 7.788 11.010 ( -0.163 -3.608 0.307) 3.625 11.010 ( -0.163 3.608 0.307) 3.625 11.092 ( -1.169 -5.349 -0.018) 5.475 11.092 ( -1.169 5.349 -0.018) 5.475 11.475 ( 1.443 -8.325 5.203) 9.923 11.475 ( 1.443 8.325 5.203) 9.923 11.580 ( 2.083 -6.176 -4.219) 7.764 11.580 ( 2.083 6.176 -4.219) 7.764 13.644 ( 4.269 -2.717 -0.161) 5.063 13.644 ( 4.269 2.717 -0.161) 5.063 13.934 ( -0.122 -3.710 -1.191) 3.899 13.934 ( -0.122 3.710 -1.191) 3.899 14.251 ( -0.381 -3.588 2.094) 4.172 14.251 ( -0.381 3.588 2.094) 4.172 14.495 ( -0.851 -7.254 -1.919) 7.552 14.495 ( -0.851 7.254 -1.919) 7.552 14.824 ( -0.682 -6.547 -0.591) 6.608 14.824 ( -0.682 6.547 -0.591) 6.608 15.038 ( 1.521 -4.292 1.462) 4.783 15.038 ( 1.521 4.292 1.462) 4.783 22.894 ( 0.098 -0.867 0.277) 0.916 22.894 ( 0.098 0.868 0.277) 0.916 22.973 ( -3.258 -1.273 -0.301) 3.511 22.973 ( -3.258 1.273 -0.301) 3.511 24.756 ( 0.575 -15.414 0.872) 15.449 24.756 ( 0.575 15.414 0.872) 15.449 24.899 ( 2.895 -12.652 -0.659) 12.996 24.899 ( 2.895 12.652 -0.659) 12.996 25.859 ( -4.956 -4.171 -0.096) 6.479 25.859 ( -4.956 4.171 -0.096) 6.479 26.096 ( -2.167 -4.602 -0.433) 5.105 26.096 ( -2.167 4.602 -0.433) 5.105 27.182 ( -0.975 -2.132 0.903) 2.512 27.182 ( -0.975 2.132 0.903) 2.512 27.252 ( -0.516 -4.143 -0.691) 4.232 27.252 ( -0.516 4.143 -0.691) 4.232 28.313 ( 1.189 -2.676 1.640) 3.357 28.313 ( 1.189 2.676 1.640) 3.357 28.723 ( -1.556 -2.621 -2.256) 3.792 28.723 ( -1.556 2.621 -2.256) 3.792 29.142 ( 6.736 -7.174 -1.020) 9.893 29.142 ( 6.736 7.174 -1.020) 9.893 29.506 ( -3.087 -4.708 1.192) 5.754 29.506 ( -3.087 4.708 1.192) 5.754 31.972 ( 0.404 -0.163 0.749) 0.866 31.972 ( 0.404 0.163 0.749) 0.866 32.132 ( 1.110 -0.200 -0.866) 1.422 32.132 ( 1.110 0.200 -0.866) 1.422 35.303 ( 0.104 -4.016 0.263) 4.026 35.303 ( 0.104 4.016 0.263) 4.026 35.341 ( 0.077 -1.969 -0.271) 1.989 35.341 ( 0.077 1.969 -0.271) 1.989 39.302 ( -0.338 -1.445 0.016) 1.484 39.302 ( -0.338 1.445 0.016) 1.484 39.398 ( -0.921 -1.298 -0.002) 1.592 39.398 ( -0.921 1.298 -0.002) 1.592 47.073 ( -0.169 -4.972 0.182) 4.979 47.073 ( -0.169 4.972 0.182) 4.979 47.181 ( 0.354 -5.608 -0.221) 5.623 47.181 ( 0.354 5.608 -0.221) 5.623 65.388 ( -0.749 -14.896 0.210) 14.916 65.388 ( -0.749 14.896 0.210) 14.916 66.392 ( 4.806 -7.375 -1.672) 8.960 66.392 ( 4.806 7.375 -1.672) 8.960 85.228 ( -1.884 -1.784 -0.418) 2.628 85.228 ( -1.884 1.784 -0.418) 2.628 85.341 ( -3.596 -1.226 0.678) 3.860 85.341 ( -3.596 1.226 0.678) 3.860 87.300 ( -1.164 -0.760 1.536) 2.072 87.300 ( -1.164 0.760 1.536) 2.072 87.625 ( -0.521 -8.688 -2.002) 8.931 87.625 ( -0.521 8.688 -2.002) 8.931 ======================= Grid point 126 (56/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 6.327 0.000 27.069) 27.799 1.214 ( 2.623 0.000 27.620) 27.744 1.746 ( -6.661 0.000 -20.545) 21.597 1.868 ( 5.317 0.000 -14.680) 15.614 1.937 ( -7.940 0.000 34.674) 35.571 2.637 ( 12.974 0.000 -1.038) 13.015 2.717 ( 0.958 0.000 -28.932) 28.948 2.806 ( -15.430 0.000 -11.522) 19.257 3.247 ( -7.066 0.000 4.907) 8.603 3.301 ( 13.146 0.000 0.498) 13.155 3.601 ( -2.517 0.000 3.626) 4.413 3.679 ( -5.422 0.000 -2.823) 6.113 3.978 ( 3.228 0.000 6.265) 7.048 3.980 ( -4.374 0.000 -1.506) 4.626 4.009 ( 4.135 0.000 -4.651) 6.223 4.113 ( -2.613 0.000 -7.012) 7.483 4.171 ( -7.182 0.000 1.932) 7.437 4.208 ( 0.151 0.000 7.261) 7.263 4.232 ( 16.563 0.000 -1.902) 16.672 4.295 ( -3.275 0.000 0.565) 3.323 4.658 ( -4.421 0.000 4.880) 6.585 4.662 ( -2.669 0.000 3.074) 4.071 4.756 ( -5.047 0.000 -1.388) 5.234 4.808 ( 12.789 0.000 -5.883) 14.077 4.999 ( 4.811 0.000 4.217) 6.398 5.018 ( -4.657 0.000 2.613) 5.340 5.211 ( 3.170 0.000 -1.764) 3.628 5.262 ( 6.689 0.000 9.684) 11.769 5.276 ( -4.749 0.000 -7.269) 8.683 5.341 ( -2.925 0.000 0.694) 3.006 5.391 ( -4.595 0.000 0.664) 4.643 5.427 ( 0.271 0.000 -0.763) 0.810 5.527 ( -8.499 0.000 -4.338) 9.542 5.544 ( 10.377 0.000 -4.886) 11.470 5.708 ( -5.210 0.000 0.127) 5.211 5.711 ( 7.195 0.000 -0.850) 7.245 5.925 ( -10.730 0.000 3.128) 11.176 5.980 ( 5.381 0.000 -2.597) 5.975 6.075 ( -3.986 0.000 5.817) 7.052 6.079 ( 2.322 0.000 3.563) 4.253 6.305 ( -4.483 0.000 -2.482) 5.124 6.309 ( -0.655 0.000 -1.321) 1.474 6.355 ( 5.312 0.000 3.898) 6.588 6.399 ( 4.920 0.000 7.666) 9.109 6.426 ( 2.657 0.000 -2.035) 3.346 6.429 ( -3.578 0.000 2.227) 4.215 6.532 ( 1.665 0.000 -0.678) 1.798 6.617 ( -2.280 0.000 3.458) 4.142 6.683 ( -9.417 0.000 -10.514) 14.115 6.688 ( 7.414 0.000 -1.137) 7.501 6.857 ( 2.514 0.000 1.915) 3.160 6.954 ( -2.968 0.000 -8.000) 8.533 7.114 ( 1.681 0.000 2.939) 3.385 7.185 ( -2.004 0.000 -3.810) 4.305 7.440 ( 4.035 0.000 2.346) 4.668 7.502 ( -11.738 0.000 -3.918) 12.374 7.531 ( -2.369 0.000 3.733) 4.422 7.585 ( 4.801 0.000 -1.589) 5.058 7.693 ( 10.901 0.000 0.661) 10.921 7.717 ( -5.589 0.000 -1.512) 5.790 8.068 ( 4.011 0.000 9.244) 10.077 8.229 ( -2.673 0.000 -7.788) 8.234 8.392 ( 1.542 0.000 0.429) 1.600 8.401 ( -6.836 0.000 -0.379) 6.846 8.574 ( -6.925 0.000 5.219) 8.671 8.669 ( 4.485 0.000 -3.532) 5.709 8.729 ( -15.932 0.000 3.472) 16.306 8.810 ( 25.078 0.000 -4.059) 25.404 9.202 ( -6.495 0.000 5.990) 8.836 9.246 ( 3.130 0.000 1.364) 3.415 9.421 ( 5.047 0.000 -2.121) 5.475 9.436 ( -0.682 0.000 -3.741) 3.802 10.766 ( 0.586 0.000 1.022) 1.178 10.792 ( -0.151 0.000 -1.864) 1.871 11.030 ( 5.298 0.000 4.565) 6.994 11.124 ( -7.649 0.000 -5.497) 9.420 11.467 ( 5.314 0.000 2.696) 5.958 11.509 ( -6.102 0.000 -1.619) 6.313 11.521 ( 7.982 0.000 2.662) 8.414 11.568 ( -5.718 0.000 -2.476) 6.231 13.682 ( 6.980 0.000 2.744) 7.500 13.736 ( -7.080 0.000 -2.330) 7.454 13.760 ( -0.950 0.000 1.615) 1.873 13.817 ( 1.296 0.000 -3.853) 4.065 14.109 ( 0.513 0.000 4.701) 4.729 14.204 ( -0.338 0.000 -5.444) 5.455 14.457 ( -0.316 0.000 0.720) 0.786 14.467 ( 0.240 0.000 -0.275) 0.366 14.780 ( 4.985 0.000 7.800) 9.257 14.902 ( -4.118 0.000 -5.190) 6.625 15.321 ( -6.792 0.000 3.332) 7.565 15.385 ( 3.885 0.000 -3.363) 5.139 22.526 ( 0.807 0.000 0.038) 0.808 22.527 ( -1.876 0.000 -0.100) 1.879 23.428 ( 0.156 0.000 0.342) 0.376 23.433 ( 0.002 0.000 -0.185) 0.185 23.734 ( -0.786 0.000 0.814) 1.131 23.751 ( 0.595 0.000 -0.940) 1.112 25.662 ( -10.606 0.000 1.764) 10.752 25.693 ( 5.601 0.000 -1.370) 5.766 25.940 ( -7.953 0.000 -0.667) 7.981 25.941 ( 8.532 0.000 -0.538) 8.549 26.278 ( 4.418 0.000 5.951) 7.412 26.380 ( -2.888 0.000 -4.799) 5.601 27.096 ( -0.034 0.000 0.118) 0.122 27.101 ( 0.116 0.000 -0.320) 0.340 27.336 ( 13.095 0.000 3.182) 13.476 27.399 ( -7.643 0.000 -3.362) 8.350 28.256 ( -2.073 0.000 1.120) 2.356 28.275 ( 2.769 0.000 -0.808) 2.884 28.534 ( -3.723 0.000 2.751) 4.629 28.593 ( 3.061 0.000 -3.305) 4.505 29.049 ( -4.468 0.000 1.448) 4.697 29.075 ( 4.518 0.000 -1.221) 4.680 29.668 ( -8.642 0.000 1.671) 8.802 29.699 ( 15.854 0.000 -1.599) 15.935 32.018 ( -0.754 0.000 1.891) 2.035 32.054 ( 0.629 0.000 -1.788) 1.895 32.066 ( -0.376 0.000 0.777) 0.863 32.082 ( 0.977 0.000 -0.932) 1.350 35.023 ( -0.137 0.000 0.774) 0.786 35.038 ( 0.138 0.000 -0.787) 0.799 35.503 ( 2.018 0.000 0.270) 2.036 35.508 ( -3.737 0.000 -0.249) 3.746 39.244 ( -0.249 0.000 0.552) 0.605 39.255 ( 0.280 0.000 -0.601) 0.663 39.435 ( 1.086 0.000 0.646) 1.264 39.447 ( -2.768 0.000 -0.587) 2.829 46.834 ( 0.137 0.000 1.041) 1.050 46.854 ( -0.518 0.000 -1.149) 1.261 47.449 ( -0.050 0.000 1.525) 1.526 47.477 ( 0.037 0.000 -1.406) 1.406 64.010 ( 1.635 0.000 0.950) 1.891 64.029 ( -1.660 0.000 -1.062) 1.971 66.532 ( -25.826 0.000 7.059) 26.773 66.667 ( 52.094 0.000 -7.007) 52.563 85.175 ( -0.503 0.000 0.705) 0.866 85.191 ( 0.648 0.000 -1.038) 1.224 85.554 ( 8.850 0.000 3.614) 9.559 85.622 ( -19.338 0.000 -3.575) 19.665 87.222 ( -3.458 0.000 0.199) 3.463 87.236 ( 2.710 0.000 -1.274) 2.995 87.419 ( 4.415 0.000 1.592) 4.693 87.434 ( -16.399 0.000 0.010) 16.399 ======================= Grid point 127 (57/90) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 1.514 0.000 23.095) 23.144 1.434 ( -0.345 0.000 -22.317) 22.320 1.556 ( 7.490 0.000 26.797) 27.824 1.751 ( 3.881 0.000 -23.127) 23.450 2.418 ( 22.813 0.000 26.593) 35.037 2.451 ( -14.646 0.000 5.370) 15.599 2.701 ( 11.565 0.000 -30.192) 32.331 2.895 ( 9.479 0.000 6.480) 11.482 3.042 ( -11.794 0.000 -2.776) 12.116 3.351 ( -4.686 0.000 -8.202) 9.446 3.575 ( -5.203 0.000 2.928) 5.970 3.637 ( 2.800 0.000 9.985) 10.370 3.885 ( -1.368 0.000 -3.562) 3.816 3.890 ( -18.701 0.000 -0.869) 18.721 3.903 ( -13.891 0.000 -3.666) 14.366 4.046 ( -2.996 0.000 -4.210) 5.167 4.074 ( -2.980 0.000 2.084) 3.636 4.171 ( -8.820 0.000 -0.432) 8.830 4.205 ( -7.722 0.000 8.258) 11.306 4.490 ( 11.533 0.000 -4.284) 12.303 4.592 ( 4.785 0.000 -4.548) 6.602 4.609 ( -0.363 0.000 1.111) 1.169 4.757 ( -9.896 0.000 4.074) 10.702 4.819 ( 8.132 0.000 -1.442) 8.259 4.981 ( -0.965 0.000 0.292) 1.008 5.171 ( 0.038 0.000 -1.004) 1.005 5.176 ( 4.871 0.000 -6.248) 7.922 5.235 ( -8.740 0.000 4.035) 9.626 5.287 ( -5.703 0.000 -0.869) 5.769 5.341 ( 7.952 0.000 -1.663) 8.124 5.423 ( 3.098 0.000 -0.871) 3.218 5.463 ( 2.724 0.000 -1.925) 3.336 5.516 ( 11.436 0.000 6.378) 13.094 5.564 ( -7.731 0.000 -2.319) 8.072 5.689 ( 5.690 0.000 -1.874) 5.991 5.714 ( -6.589 0.000 -1.159) 6.690 5.956 ( 10.391 0.000 6.954) 12.503 6.020 ( -4.177 0.000 4.551) 6.177 6.123 ( 3.092 0.000 2.416) 3.924 6.165 ( 3.473 0.000 -0.302) 3.486 6.196 ( -2.380 0.000 -2.807) 3.680 6.202 ( -0.795 0.000 0.124) 0.805 6.348 ( -5.676 0.000 -1.547) 5.883 6.413 ( -0.143 0.000 -3.637) 3.640 6.434 ( -0.403 0.000 3.172) 3.198 6.467 ( -5.335 0.000 1.123) 5.452 6.544 ( 5.067 0.000 -1.245) 5.218 6.623 ( 5.065 0.000 4.750) 6.944 6.667 ( 2.243 0.000 -3.912) 4.509 6.842 ( 3.117 0.000 3.084) 4.384 6.912 ( 8.421 0.000 -7.949) 11.580 6.937 ( 3.263 0.000 5.000) 5.970 7.021 ( -10.209 0.000 -3.630) 10.836 7.138 ( 0.433 0.000 4.468) 4.489 7.352 ( -2.467 0.000 1.185) 2.737 7.430 ( -5.261 0.000 2.832) 5.975 7.470 ( -4.555 0.000 3.202) 5.568 7.681 ( 6.929 0.000 -4.353) 8.183 7.721 ( 2.688 0.000 -3.007) 4.033 7.881 ( 7.683 0.000 -0.545) 7.703 8.107 ( -6.673 0.000 -5.344) 8.549 8.195 ( 2.016 0.000 5.902) 6.237 8.356 ( -17.727 0.000 -4.056) 18.185 8.359 ( -2.690 0.000 4.093) 4.898 8.465 ( -3.056 0.000 1.726) 3.510 8.547 ( 12.476 0.000 8.554) 15.126 8.711 ( -0.567 0.000 -3.670) 3.714 9.069 ( -1.594 0.000 0.391) 1.641 9.206 ( 10.318 0.000 -3.256) 10.820 9.277 ( -5.175 0.000 3.593) 6.300 9.359 ( -0.736 0.000 -6.119) 6.164 9.435 ( -0.860 0.000 -4.926) 5.000 10.840 ( 5.171 0.000 -0.608) 5.207 10.869 ( 8.882 0.000 0.854) 8.923 10.983 ( -4.698 0.000 -2.907) 5.524 11.161 ( 4.488 0.000 4.285) 6.205 11.359 ( -5.715 0.000 -1.385) 5.880 11.441 ( -6.535 0.000 -3.293) 7.317 11.505 ( -1.684 0.000 2.363) 2.901 11.647 ( 2.766 0.000 -0.402) 2.795 13.680 ( 1.937 0.000 0.592) 2.026 13.798 ( 4.129 0.000 2.977) 5.091 13.839 ( 4.444 0.000 -2.302) 5.005 13.923 ( 10.970 0.000 -2.653) 11.287 14.160 ( 2.320 0.000 5.864) 6.306 14.212 ( 4.422 0.000 -8.063) 9.196 14.464 ( 0.485 0.000 0.434) 0.651 14.486 ( 2.268 0.000 -0.330) 2.292 14.760 ( -6.785 0.000 -5.724) 8.877 14.853 ( -0.775 0.000 5.224) 5.281 15.308 ( 2.114 0.000 5.359) 5.761 15.491 ( 7.404 0.000 -0.799) 7.447 22.555 ( 4.145 0.000 -0.527) 4.178 22.580 ( 4.214 0.000 1.432) 4.450 23.396 ( -3.626 0.000 0.319) 3.639 23.402 ( -2.870 0.000 -0.688) 2.951 23.712 ( -1.684 0.000 0.870) 1.896 23.737 ( -1.574 0.000 -0.745) 1.741 25.632 ( 4.439 0.000 4.890) 6.604 25.730 ( -4.933 0.000 -2.332) 5.456 25.983 ( 13.829 0.000 6.440) 15.255 26.086 ( 3.813 0.000 -2.547) 4.585 26.337 ( 3.360 0.000 -6.735) 7.527 26.407 ( 7.738 0.000 4.706) 9.057 27.096 ( -0.054 0.000 0.137) 0.147 27.101 ( 0.084 0.000 -0.297) 0.309 27.257 ( -4.635 0.000 -6.964) 8.365 27.572 ( 11.574 0.000 -1.837) 11.719 28.208 ( -2.920 0.000 1.015) 3.092 28.298 ( 0.064 0.000 -2.540) 2.541 28.497 ( -2.037 0.000 4.333) 4.788 28.653 ( 4.563 0.000 -3.029) 5.477 28.946 ( -6.485 0.000 0.326) 6.494 29.068 ( -6.220 0.000 -1.665) 6.439 29.512 ( -4.586 0.000 -4.666) 6.543 29.806 ( -1.915 0.000 -2.060) 2.813 32.017 ( -0.463 0.000 2.020) 2.072 32.047 ( -1.899 0.000 0.637) 2.003 32.053 ( -0.165 0.000 -1.392) 1.401 32.088 ( 0.779 0.000 -2.252) 2.383 35.026 ( -0.127 0.000 0.867) 0.877 35.040 ( 0.465 0.000 -0.823) 0.945 35.448 ( -2.471 0.000 1.534) 2.908 35.532 ( 0.445 0.000 0.885) 0.991 39.231 ( -1.310 0.000 0.639) 1.458 39.251 ( -0.251 0.000 -0.607) 0.657 39.459 ( 3.565 0.000 -0.680) 3.630 39.487 ( 3.157 0.000 2.255) 3.879 46.843 ( 0.119 0.000 1.311) 1.316 46.845 ( 0.001 0.000 -0.853) 0.853 47.453 ( -0.223 0.000 1.477) 1.493 47.468 ( -0.196 0.000 -1.437) 1.450 63.935 ( -6.746 0.000 -1.217) 6.855 64.000 ( -1.984 0.000 0.656) 2.089 66.240 ( -3.504 0.000 -4.351) 5.586 67.416 ( 31.676 0.000 -30.682) 44.099 85.176 ( 0.401 0.000 0.799) 0.894 85.206 ( 1.591 0.000 -1.302) 2.056 85.449 ( 1.519 0.000 1.214) 1.945 85.740 ( 5.356 0.000 8.776) 10.281 87.210 ( 3.690 0.000 -0.655) 3.748 87.259 ( 1.230 0.000 -1.455) 1.905 87.483 ( 13.487 0.000 0.384) 13.493 87.714 ( 19.602 0.000 16.890) 25.875 ======================= Grid point 128 (58/90) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 7.542 0.000 -10.400) 12.847 1.467 ( 2.411 0.000 19.543) 19.691 1.837 ( 16.750 0.000 -23.309) 28.703 1.971 ( 17.014 0.000 22.648) 28.327 2.125 ( -18.454 0.000 13.551) 22.895 2.669 ( -7.377 0.000 -16.978) 18.511 2.809 ( -1.264 0.000 -6.617) 6.737 2.982 ( 10.758 0.000 5.244) 11.968 3.128 ( 4.913 0.000 3.412) 5.982 3.266 ( 9.072 0.000 -3.153) 9.604 3.392 ( -26.205 0.000 -0.276) 26.206 3.500 ( -8.711 0.000 5.574) 10.341 3.689 ( -0.950 0.000 -6.383) 6.453 3.729 ( 0.967 0.000 8.693) 8.747 3.792 ( -12.737 0.000 -9.171) 15.695 3.928 ( -5.607 0.000 -2.344) 6.078 4.006 ( -2.747 0.000 2.450) 3.681 4.022 ( -1.030 0.000 1.635) 1.932 4.207 ( 0.712 0.000 7.676) 7.709 4.549 ( -7.141 0.000 4.128) 8.248 4.594 ( -2.529 0.000 -4.685) 5.324 4.609 ( -1.654 0.000 -8.321) 8.484 4.673 ( 1.966 0.000 -2.894) 3.499 4.953 ( 4.830 0.000 3.636) 6.046 5.036 ( -6.843 0.000 -1.506) 7.006 5.073 ( 7.571 0.000 3.030) 8.155 5.174 ( -3.820 0.000 -0.261) 3.829 5.202 ( 2.847 0.000 -6.214) 6.835 5.209 ( 0.170 0.000 -1.213) 1.225 5.330 ( -4.275 0.000 2.083) 4.755 5.486 ( 7.991 0.000 -4.271) 9.061 5.487 ( 2.639 0.000 -1.840) 3.218 5.575 ( -4.754 0.000 -0.931) 4.844 5.669 ( -3.175 0.000 -2.926) 4.318 5.728 ( 13.641 0.000 6.267) 15.012 5.747 ( 5.934 0.000 6.486) 8.791 5.946 ( -4.239 0.000 2.095) 4.728 6.056 ( -4.949 0.000 -0.724) 5.002 6.145 ( 2.611 0.000 2.237) 3.438 6.175 ( 3.555 0.000 -2.089) 4.123 6.235 ( -3.654 0.000 -2.451) 4.399 6.269 ( 9.912 0.000 2.832) 10.309 6.339 ( 3.462 0.000 0.446) 3.490 6.413 ( -3.154 0.000 1.450) 3.471 6.424 ( -2.798 0.000 4.804) 5.560 6.432 ( 1.001 0.000 0.452) 1.098 6.531 ( -0.318 0.000 -5.898) 5.907 6.655 ( 0.359 0.000 -1.225) 1.276 6.690 ( -0.281 0.000 3.867) 3.878 6.892 ( -1.497 0.000 -1.679) 2.250 6.916 ( 5.266 0.000 -3.986) 6.604 7.036 ( 3.218 0.000 4.838) 5.810 7.050 ( 4.251 0.000 -2.141) 4.760 7.215 ( 2.671 0.000 0.499) 2.718 7.299 ( -6.531 0.000 5.838) 8.760 7.324 ( -2.676 0.000 1.402) 3.020 7.446 ( -1.153 0.000 3.760) 3.933 7.755 ( 2.244 0.000 -0.861) 2.404 7.773 ( 3.490 0.000 -8.629) 9.308 7.908 ( -1.123 0.000 3.381) 3.563 7.984 ( -9.215 0.000 -6.979) 11.559 8.075 ( 3.645 0.000 0.839) 3.740 8.233 ( -7.379 0.000 -0.045) 7.379 8.278 ( -0.882 0.000 4.253) 4.343 8.531 ( 4.558 0.000 2.354) 5.130 8.639 ( -4.501 0.000 -1.533) 4.755 8.859 ( 12.022 0.000 8.995) 15.015 8.939 ( -11.727 0.000 0.209) 11.729 9.083 ( -10.217 0.000 -5.693) 11.696 9.323 ( 4.891 0.000 -9.519) 10.702 9.396 ( 1.950 0.000 3.711) 4.192 9.418 ( 2.160 0.000 -1.979) 2.930 10.876 ( -3.385 0.000 -2.544) 4.235 10.966 ( 7.485 0.000 3.818) 8.403 11.078 ( 9.586 0.000 0.889) 9.627 11.125 ( -6.697 0.000 -5.356) 8.575 11.315 ( -2.826 0.000 -0.581) 2.885 11.378 ( 2.229 0.000 3.103) 3.820 11.459 ( -2.612 0.000 -0.370) 2.638 11.618 ( -4.138 0.000 -2.998) 5.110 13.760 ( 4.217 0.000 4.718) 6.328 13.910 ( 4.675 0.000 -2.566) 5.333 13.910 ( 4.250 0.000 4.043) 5.866 14.034 ( 3.476 0.000 -2.043) 4.032 14.231 ( 0.344 0.000 5.936) 5.946 14.241 ( 2.673 0.000 -11.045) 11.364 14.483 ( 1.859 0.000 2.455) 3.079 14.551 ( 4.840 0.000 -1.553) 5.083 14.648 ( -2.283 0.000 -3.054) 3.813 14.832 ( -2.606 0.000 1.750) 3.139 15.399 ( 3.927 0.000 6.607) 7.686 15.606 ( 4.215 0.000 1.082) 4.351 22.642 ( 5.243 0.000 -1.183) 5.375 22.669 ( 3.853 0.000 2.261) 4.467 23.315 ( -4.886 0.000 0.657) 4.930 23.337 ( -3.257 0.000 -1.355) 3.527 23.687 ( -1.364 0.000 0.553) 1.471 23.700 ( -1.735 0.000 -0.585) 1.831 25.654 ( -1.361 0.000 -0.559) 1.471 25.805 ( 10.201 0.000 5.654) 11.663 26.032 ( -5.506 0.000 -4.426) 7.065 26.212 ( 4.593 0.000 6.831) 8.232 26.445 ( 9.758 0.000 -6.730) 11.854 26.625 ( 9.597 0.000 5.701) 11.163 27.096 ( -0.085 0.000 0.162) 0.183 27.100 ( -0.009 0.000 -0.473) 0.473 27.201 ( 3.839 0.000 -2.894) 4.807 27.735 ( 7.486 0.000 -2.887) 8.023 28.180 ( -0.635 0.000 1.479) 1.609 28.257 ( -1.928 0.000 -4.681) 5.062 28.480 ( -3.503 0.000 5.606) 6.611 28.697 ( 0.019 0.000 -4.047) 4.047 28.839 ( -4.578 0.000 -0.341) 4.591 28.873 ( -8.256 0.000 -6.105) 10.268 29.489 ( 3.320 0.000 -5.399) 6.338 29.693 ( -9.050 0.000 3.665) 9.764 32.008 ( -1.943 0.000 1.075) 2.220 32.024 ( -0.422 0.000 2.170) 2.210 32.035 ( -0.763 0.000 -1.548) 1.726 32.091 ( 0.861 0.000 -2.846) 2.974 35.026 ( -0.314 0.000 1.095) 1.139 35.045 ( 0.518 0.000 -0.938) 1.071 35.434 ( -0.146 0.000 1.542) 1.548 35.527 ( -1.085 0.000 0.031) 1.085 39.212 ( -1.011 0.000 0.783) 1.279 39.242 ( -0.439 0.000 -0.738) 0.858 39.533 ( 4.460 0.000 -1.675) 4.764 39.549 ( 1.747 0.000 3.072) 3.534 46.844 ( 0.309 0.000 -0.766) 0.826 46.847 ( -0.326 0.000 1.218) 1.261 47.455 ( -0.286 0.000 1.178) 1.212 47.460 ( 0.133 0.000 -1.217) 1.224 63.837 ( -3.016 0.000 1.078) 3.203 63.966 ( -1.458 0.000 -1.233) 1.910 66.349 ( 13.417 0.000 1.745) 13.530 67.551 ( 2.477 0.000 -27.516) 27.628 85.193 ( 0.685 0.000 1.279) 1.451 85.232 ( 1.941 0.000 -1.958) 2.757 85.561 ( 8.338 0.000 -2.288) 8.646 85.800 ( -2.495 0.000 7.065) 7.493 87.277 ( 3.448 0.000 -1.783) 3.882 87.281 ( 1.868 0.000 -1.522) 2.410 87.837 ( 25.003 0.000 -7.052) 25.978 88.112 ( 7.395 0.000 28.447) 29.392 ======================= Grid point 129 (59/90) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 15.044 0.000 3.297) 15.401 1.653 ( 5.801 0.000 14.905) 15.994 1.839 ( -10.866 0.000 9.805) 14.636 2.161 ( 18.854 0.000 -4.105) 19.295 2.174 ( -6.811 0.000 -1.369) 6.948 2.542 ( -0.956 0.000 -0.600) 1.128 2.663 ( -10.884 0.000 -6.583) 12.720 2.935 ( -1.650 0.000 -16.755) 16.836 2.977 ( -4.415 0.000 7.666) 8.846 3.268 ( 0.655 0.000 8.187) 8.213 3.414 ( -15.119 0.000 -10.562) 18.442 3.437 ( 0.779 0.000 6.940) 6.984 3.492 ( 2.657 0.000 -5.990) 6.553 3.690 ( -7.047 0.000 -1.152) 7.141 3.792 ( 9.754 0.000 -3.583) 10.391 3.875 ( -3.805 0.000 1.488) 4.086 4.056 ( 3.770 0.000 8.647) 9.433 4.088 ( 8.602 0.000 -1.937) 8.817 4.272 ( 2.694 0.000 5.136) 5.800 4.301 ( -16.393 0.000 5.015) 17.143 4.472 ( -7.086 0.000 -9.503) 11.854 4.503 ( -0.824 0.000 -11.108) 11.138 4.810 ( 10.383 0.000 5.250) 11.634 4.977 ( -3.272 0.000 1.420) 3.567 4.989 ( -0.083 0.000 2.817) 2.818 5.125 ( -1.571 0.000 5.231) 5.462 5.167 ( 4.890 0.000 -2.653) 5.563 5.204 ( -1.218 0.000 -1.212) 1.719 5.328 ( 2.147 0.000 2.157) 3.043 5.362 ( 11.993 0.000 -3.839) 12.593 5.491 ( -9.167 0.000 -4.546) 10.232 5.542 ( 4.106 0.000 2.544) 4.830 5.583 ( 0.578 0.000 -3.679) 3.724 5.596 ( 5.432 0.000 0.768) 5.486 5.803 ( -2.725 0.000 -3.550) 4.475 5.829 ( -4.191 0.000 1.499) 4.451 5.972 ( -0.274 0.000 -2.303) 2.319 6.000 ( -1.142 0.000 3.640) 3.815 6.139 ( 3.780 0.000 7.251) 8.177 6.231 ( -1.086 0.000 3.404) 3.573 6.268 ( 6.104 0.000 -0.046) 6.105 6.317 ( -4.138 0.000 -0.382) 4.156 6.341 ( -2.567 0.000 2.529) 3.603 6.391 ( 0.123 0.000 -2.613) 2.616 6.399 ( -1.062 0.000 3.687) 3.837 6.488 ( 10.602 0.000 4.970) 11.709 6.532 ( -2.921 0.000 -6.367) 7.005 6.688 ( -1.229 0.000 5.595) 5.728 6.732 ( 7.873 0.000 -3.749) 8.720 6.877 ( -0.559 0.000 0.547) 0.782 6.899 ( -10.902 0.000 -7.081) 12.999 6.973 ( -6.099 0.000 -2.646) 6.648 7.116 ( 3.175 0.000 5.122) 6.027 7.156 ( 2.667 0.000 -1.082) 2.878 7.255 ( -4.795 0.000 0.233) 4.801 7.299 ( -2.333 0.000 -1.204) 2.625 7.480 ( 1.473 0.000 4.631) 4.860 7.695 ( -3.491 0.000 -9.489) 10.110 7.828 ( 9.804 0.000 -2.177) 10.043 7.926 ( -6.234 0.000 4.148) 7.488 8.028 ( 9.948 0.000 3.575) 10.570 8.134 ( 4.513 0.000 5.037) 6.763 8.220 ( 5.402 0.000 -4.058) 6.757 8.248 ( -4.363 0.000 3.892) 5.847 8.559 ( -4.049 0.000 0.900) 4.148 8.586 ( -1.888 0.000 3.232) 3.744 8.700 ( -9.003 0.000 -3.838) 9.787 8.815 ( -8.516 0.000 -7.157) 11.124 9.117 ( 5.814 0.000 6.782) 8.933 9.341 ( 1.278 0.000 -8.040) 8.141 9.428 ( -0.860 0.000 4.598) 4.677 9.455 ( 2.894 0.000 -1.984) 3.509 10.834 ( 0.777 0.000 -1.580) 1.761 10.948 ( -8.381 0.000 -2.872) 8.860 11.145 ( 8.311 0.000 5.256) 9.834 11.201 ( 2.645 0.000 2.105) 3.380 11.282 ( -0.367 0.000 -2.574) 2.600 11.430 ( -0.867 0.000 -6.983) 7.037 11.432 ( 1.350 0.000 3.525) 3.775 11.504 ( -4.542 0.000 -0.749) 4.604 13.869 ( 4.491 0.000 6.565) 7.954 13.960 ( -0.494 0.000 2.863) 2.905 13.976 ( 3.615 0.000 -2.271) 4.269 14.061 ( 0.331 0.000 -2.067) 2.094 14.187 ( -5.636 0.000 1.139) 5.750 14.208 ( 0.810 0.000 -10.212) 10.244 14.568 ( 2.457 0.000 6.631) 7.072 14.616 ( 2.736 0.000 -2.225) 3.527 14.643 ( 2.818 0.000 -0.297) 2.833 14.784 ( -2.717 0.000 -1.664) 3.186 15.512 ( 4.801 0.000 6.346) 7.957 15.641 ( -0.591 0.000 -0.134) 0.606 22.720 ( 3.537 0.000 -1.095) 3.702 22.723 ( 0.579 0.000 1.558) 1.662 23.248 ( -2.328 0.000 1.342) 2.688 23.283 ( -1.355 0.000 -1.844) 2.288 23.670 ( -0.615 0.000 0.218) 0.653 23.675 ( -0.580 0.000 -0.383) 0.695 25.681 ( 3.437 0.000 2.811) 4.440 25.886 ( -7.064 0.000 -4.212) 8.224 26.030 ( 10.293 0.000 5.289) 11.572 26.238 ( -3.264 0.000 1.509) 3.596 26.583 ( 8.356 0.000 -5.845) 10.197 26.659 ( -5.542 0.000 -0.577) 5.572 27.094 ( -0.129 0.000 0.160) 0.205 27.098 ( 0.040 0.000 -0.365) 0.367 27.406 ( 12.809 0.000 9.823) 16.142 27.800 ( 1.016 0.000 -6.917) 6.991 28.189 ( 0.001 0.000 1.591) 1.591 28.212 ( 0.178 0.000 -3.546) 3.550 28.414 ( -5.740 0.000 5.284) 7.802 28.573 ( -5.224 0.000 -8.000) 9.555 28.782 ( -2.233 0.000 1.036) 2.462 28.822 ( 1.975 0.000 -4.585) 4.992 29.545 ( 5.005 0.000 -4.091) 6.464 29.550 ( -8.878 0.000 6.588) 11.056 31.985 ( -1.032 0.000 1.276) 1.641 32.017 ( -0.131 0.000 -1.922) 1.926 32.030 ( -0.341 0.000 2.634) 2.655 32.090 ( 0.526 0.000 -2.869) 2.917 35.026 ( -0.315 0.000 1.232) 1.272 35.048 ( 0.375 0.000 -1.091) 1.154 35.449 ( 0.826 0.000 1.498) 1.711 35.501 ( -1.287 0.000 -0.857) 1.546 39.205 ( -0.255 0.000 0.928) 0.962 39.230 ( -0.314 0.000 -0.965) 1.015 39.574 ( -0.540 0.000 2.634) 2.689 39.594 ( 3.092 0.000 -2.018) 3.692 46.843 ( -0.622 0.000 0.889) 1.085 46.849 ( 0.563 0.000 -0.653) 0.862 47.453 ( -0.490 0.000 0.842) 0.974 47.461 ( 0.557 0.000 -0.879) 1.040 63.830 ( 0.504 0.000 3.399) 3.437 63.936 ( -0.599 0.000 -3.312) 3.366 66.652 ( 14.088 0.000 11.742) 18.339 67.339 ( -10.329 0.000 -23.691) 25.845 85.209 ( 0.130 0.000 1.677) 1.682 85.252 ( 1.309 0.000 -2.636) 2.943 85.695 ( 7.392 0.000 -2.383) 7.766 85.746 ( -5.925 0.000 4.649) 7.531 87.304 ( 1.161 0.000 -1.291) 1.736 87.310 ( 1.060 0.000 -1.590) 1.911 88.207 ( -10.422 0.000 23.758) 25.943 88.269 ( 26.178 0.000 -12.057) 28.821 ======================= Grid point 130 (60/90) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -20.532 0.000 15.421) 25.678 1.709 ( -10.870 0.000 11.673) 15.951 1.971 ( -6.537 0.000 -16.466) 17.716 2.003 ( 12.527 0.000 7.143) 14.421 2.374 ( 2.819 0.000 -13.630) 13.918 2.479 ( 11.474 0.000 5.123) 12.566 2.625 ( -1.655 0.000 12.932) 13.037 2.809 ( -5.489 0.000 -17.023) 17.886 3.157 ( 0.037 0.000 -10.919) 10.919 3.191 ( 17.084 0.000 12.198) 20.992 3.375 ( 2.774 0.000 6.417) 6.991 3.430 ( -2.677 0.000 -9.311) 9.688 3.559 ( 8.446 0.000 11.097) 13.945 3.574 ( -2.243 0.000 -6.240) 6.631 3.692 ( -14.661 0.000 6.751) 16.140 3.896 ( 2.656 0.000 -0.236) 2.666 4.067 ( -1.702 0.000 0.973) 1.960 4.230 ( -5.073 0.000 -8.157) 9.605 4.255 ( 2.492 0.000 6.914) 7.349 4.299 ( 7.690 0.000 5.445) 9.423 4.450 ( 0.158 0.000 -9.525) 9.527 4.488 ( 17.370 0.000 -8.899) 19.517 4.910 ( -4.692 0.000 -1.950) 5.081 4.956 ( 0.998 0.000 4.768) 4.871 5.038 ( 1.418 0.000 6.187) 6.348 5.109 ( -7.511 0.000 -9.846) 12.384 5.143 ( -0.596 0.000 4.175) 4.217 5.178 ( 0.007 0.000 -1.271) 1.271 5.369 ( -0.930 0.000 -0.250) 0.963 5.370 ( -5.585 0.000 0.514) 5.609 5.461 ( -0.190 0.000 -4.426) 4.430 5.491 ( 1.077 0.000 1.585) 1.917 5.622 ( -6.839 0.000 -1.618) 7.028 5.638 ( -1.226 0.000 -1.988) 2.336 5.754 ( 6.681 0.000 -0.187) 6.683 5.837 ( 6.114 0.000 0.262) 6.119 5.933 ( -0.853 0.000 2.514) 2.655 6.039 ( 3.397 0.000 -1.097) 3.570 6.210 ( -2.260 0.000 6.214) 6.612 6.224 ( -9.016 0.000 -1.662) 9.168 6.242 ( 0.417 0.000 8.666) 8.676 6.281 ( -4.411 0.000 -3.977) 5.940 6.356 ( 0.863 0.000 0.076) 0.866 6.380 ( -0.981 0.000 1.213) 1.560 6.428 ( 2.076 0.000 3.883) 4.403 6.466 ( 3.749 0.000 -1.603) 4.078 6.594 ( -12.367 0.000 -5.465) 13.521 6.681 ( -1.524 0.000 -1.009) 1.828 6.691 ( 5.568 0.000 6.429) 8.505 6.832 ( -0.045 0.000 -0.129) 0.137 6.895 ( -3.511 0.000 -1.288) 3.740 6.912 ( 7.780 0.000 1.533) 7.929 7.183 ( -1.767 0.000 -0.830) 1.952 7.193 ( -0.100 0.000 -2.867) 2.869 7.233 ( 8.107 0.000 5.059) 9.556 7.286 ( 3.673 0.000 -3.446) 5.036 7.535 ( 1.777 0.000 6.967) 7.190 7.593 ( -2.618 0.000 -8.374) 8.774 7.777 ( -9.326 0.000 1.093) 9.390 8.018 ( 8.800 0.000 -5.349) 10.298 8.107 ( -9.803 0.000 -2.293) 10.068 8.122 ( -2.604 0.000 6.518) 7.019 8.220 ( -2.217 0.000 -2.580) 3.402 8.317 ( 4.952 0.000 -3.459) 6.040 8.549 ( 1.919 0.000 2.255) 2.961 8.565 ( 7.826 0.000 6.696) 10.299 8.680 ( -3.867 0.000 -4.240) 5.738 8.696 ( 5.759 0.000 4.073) 7.054 9.188 ( -1.664 0.000 7.657) 7.836 9.263 ( -5.242 0.000 -8.230) 9.757 9.423 ( -0.924 0.000 1.671) 1.909 9.502 ( 2.532 0.000 -3.040) 3.957 10.823 ( -3.546 0.000 -0.509) 3.583 10.896 ( 5.311 0.000 1.858) 5.627 11.218 ( -4.820 0.000 2.231) 5.311 11.228 ( 0.426 0.000 1.905) 1.952 11.271 ( -9.377 0.000 -6.395) 11.350 11.326 ( 6.564 0.000 1.809) 6.808 11.483 ( 3.630 0.000 1.463) 3.914 11.505 ( 1.855 0.000 -3.996) 4.406 13.928 ( -3.511 0.000 3.177) 4.735 13.984 ( 3.539 0.000 6.176) 7.118 13.994 ( -3.124 0.000 -5.047) 5.936 14.017 ( 0.159 0.000 -3.979) 3.982 14.087 ( -5.495 0.000 2.109) 5.886 14.226 ( 4.861 0.000 -3.839) 6.194 14.581 ( -2.239 0.000 2.193) 3.134 14.623 ( -1.151 0.000 -0.323) 1.196 14.713 ( -3.023 0.000 -6.324) 7.010 14.739 ( 5.285 0.000 2.749) 5.958 15.594 ( -3.235 0.000 -2.813) 4.287 15.622 ( 4.049 0.000 2.631) 4.829 22.701 ( -3.338 0.000 0.918) 3.462 22.751 ( 0.305 0.000 -1.301) 1.336 23.252 ( 1.832 0.000 1.447) 2.335 23.279 ( 1.955 0.000 -1.901) 2.727 23.670 ( 0.506 0.000 0.162) 0.532 23.676 ( 0.836 0.000 -0.374) 0.915 25.742 ( -6.053 0.000 -3.375) 6.930 25.792 ( 5.997 0.000 5.267) 7.982 26.118 ( -9.007 0.000 -3.281) 9.587 26.219 ( 7.346 0.000 3.727) 8.238 26.514 ( -9.067 0.000 0.895) 9.111 26.689 ( 5.705 0.000 -3.704) 6.802 27.093 ( -0.098 0.000 0.161) 0.188 27.098 ( 0.122 0.000 -0.239) 0.268 27.637 ( 5.430 0.000 9.681) 11.100 27.655 ( -10.937 0.000 -16.662) 19.931 28.171 ( -1.972 0.000 1.323) 2.375 28.222 ( 0.395 0.000 -1.901) 1.941 28.399 ( 2.713 0.000 9.809) 10.177 28.531 ( 4.200 0.000 -6.777) 7.973 28.750 ( -2.463 0.000 2.554) 3.547 28.833 ( 1.502 0.000 -3.789) 4.076 29.439 ( -7.060 0.000 7.508) 10.306 29.626 ( 5.377 0.000 -2.059) 5.758 31.986 ( 0.447 0.000 1.353) 1.425 32.014 ( 0.867 0.000 -1.868) 2.059 32.036 ( -0.529 0.000 2.768) 2.818 32.082 ( 0.230 0.000 -2.830) 2.839 35.027 ( -0.267 0.000 1.193) 1.223 35.048 ( 0.229 0.000 -1.125) 1.148 35.476 ( -0.825 0.000 -1.273) 1.517 35.477 ( 1.343 0.000 1.702) 2.168 39.211 ( 0.435 0.000 0.973) 1.066 39.224 ( 0.215 0.000 -1.046) 1.068 39.557 ( -2.512 0.000 1.935) 3.171 39.624 ( 1.263 0.000 -2.435) 2.743 46.836 ( -0.584 0.000 0.708) 0.917 46.858 ( 0.781 0.000 -0.634) 1.006 47.446 ( -0.651 0.000 0.694) 0.952 47.469 ( 0.673 0.000 -0.800) 1.046 63.873 ( 2.282 0.000 3.253) 3.974 63.909 ( -0.171 0.000 -4.778) 4.781 66.930 ( 7.053 0.000 19.153) 20.411 66.967 ( -17.776 0.000 -22.391) 28.590 85.212 ( -0.706 0.000 1.681) 1.823 85.250 ( -0.053 0.000 -2.806) 2.807 85.645 ( -6.911 0.000 3.003) 7.535 85.810 ( 6.468 0.000 -2.100) 6.801 87.302 ( -1.097 0.000 -0.986) 1.475 87.304 ( -0.660 0.000 -1.038) 1.230 88.017 ( -18.920 0.000 14.589) 23.891 88.634 ( 20.577 0.000 -19.551) 28.384 ======================= Grid point 131 (61/90) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -20.333 0.000 10.390) 22.833 1.440 ( -21.966 0.000 18.663) 28.824 1.819 ( 1.834 0.000 -18.931) 19.020 2.076 ( -13.860 0.000 19.180) 23.664 2.405 ( 5.037 0.000 -13.657) 14.556 2.528 ( -14.140 0.000 -14.852) 20.507 2.665 ( 11.201 0.000 7.724) 13.606 2.828 ( 13.982 0.000 12.762) 18.931 3.268 ( -2.646 0.000 -8.936) 9.319 3.321 ( -9.511 0.000 -1.838) 9.687 3.450 ( 22.825 0.000 -6.738) 23.799 3.569 ( 0.400 0.000 1.093) 1.164 3.576 ( 14.064 0.000 11.873) 18.406 3.629 ( 10.097 0.000 -1.302) 10.181 3.823 ( 14.014 0.000 7.516) 15.902 3.924 ( 2.575 0.000 -4.503) 5.187 4.071 ( 2.212 0.000 -3.037) 3.757 4.083 ( -3.842 0.000 -8.030) 8.902 4.321 ( -2.269 0.000 10.961) 11.193 4.372 ( 0.139 0.000 -7.001) 7.002 4.476 ( 3.603 0.000 3.461) 4.996 4.731 ( -6.117 0.000 -9.522) 11.317 4.754 ( 8.364 0.000 -6.403) 10.534 4.856 ( -13.213 0.000 9.445) 16.242 5.038 ( 6.533 0.000 -1.054) 6.618 5.119 ( -3.605 0.000 -1.259) 3.819 5.153 ( 2.196 0.000 -0.652) 2.291 5.155 ( -0.956 0.000 4.354) 4.458 5.248 ( 4.518 0.000 -4.715) 6.530 5.350 ( 1.210 0.000 0.254) 1.237 5.439 ( -11.255 0.000 -0.197) 11.257 5.461 ( -4.743 0.000 0.366) 4.757 5.577 ( 5.451 0.000 1.636) 5.691 5.626 ( 1.169 0.000 1.582) 1.967 5.810 ( -9.945 0.000 -3.884) 10.676 5.823 ( -2.374 0.000 -1.951) 3.073 5.954 ( 1.540 0.000 0.704) 1.693 6.037 ( 4.669 0.000 1.222) 4.826 6.154 ( -2.852 0.000 0.907) 2.993 6.165 ( 2.320 0.000 0.656) 2.411 6.215 ( -2.050 0.000 -2.778) 3.453 6.314 ( -0.593 0.000 7.121) 7.145 6.337 ( -10.682 0.000 -3.628) 11.282 6.398 ( -7.858 0.000 2.368) 8.207 6.412 ( -0.304 0.000 2.445) 2.464 6.422 ( 6.576 0.000 2.490) 7.032 6.529 ( 3.063 0.000 -4.514) 5.455 6.654 ( -0.454 0.000 -2.815) 2.851 6.748 ( -1.318 0.000 -0.601) 1.449 6.777 ( -4.768 0.000 8.045) 9.352 6.867 ( 1.466 0.000 1.105) 1.836 7.043 ( 2.317 0.000 0.210) 2.326 7.144 ( -1.674 0.000 -6.043) 6.271 7.213 ( 4.383 0.000 -0.129) 4.385 7.350 ( 3.139 0.000 -1.608) 3.527 7.413 ( 3.743 0.000 -3.015) 4.806 7.529 ( 0.640 0.000 -6.507) 6.538 7.601 ( 0.212 0.000 8.726) 8.729 7.680 ( 0.897 0.000 7.414) 7.468 7.927 ( -2.724 0.000 -2.291) 3.559 7.953 ( -6.314 0.000 0.095) 6.315 8.083 ( -8.392 0.000 -1.376) 8.504 8.285 ( 13.734 0.000 -4.727) 14.524 8.348 ( 0.580 0.000 -3.074) 3.128 8.572 ( -6.238 0.000 -2.007) 6.553 8.595 ( 1.312 0.000 3.206) 3.463 8.827 ( 9.957 0.000 11.821) 15.456 8.919 ( 12.792 0.000 7.659) 14.910 9.073 ( -10.506 0.000 -10.515) 14.865 9.175 ( -2.123 0.000 5.552) 5.944 9.412 ( -0.358 0.000 -1.077) 1.135 9.487 ( -2.306 0.000 -5.036) 5.539 10.825 ( 2.732 0.000 2.714) 3.851 10.972 ( -3.900 0.000 2.492) 4.628 11.090 ( -9.157 0.000 0.087) 9.157 11.112 ( 0.570 0.000 -3.084) 3.136 11.277 ( 4.114 0.000 1.696) 4.450 11.433 ( 4.636 0.000 1.239) 4.799 11.478 ( -2.476 0.000 -5.849) 6.351 11.574 ( 4.454 0.000 1.833) 4.817 13.863 ( -4.656 0.000 2.418) 5.247 13.879 ( -4.579 0.000 -7.513) 8.799 13.989 ( -2.432 0.000 -3.960) 4.647 14.001 ( -4.661 0.000 1.697) 4.961 14.064 ( 0.449 0.000 7.743) 7.756 14.314 ( 5.048 0.000 -2.581) 5.669 14.531 ( -3.693 0.000 0.984) 3.822 14.566 ( -5.639 0.000 -2.662) 6.236 14.624 ( -1.561 0.000 -4.482) 4.746 14.843 ( 5.125 0.000 0.559) 5.155 15.506 ( -4.234 0.000 -4.574) 6.232 15.648 ( -2.156 0.000 -3.299) 3.941 22.626 ( -4.749 0.000 0.598) 4.787 22.718 ( -2.792 0.000 -2.785) 3.944 23.315 ( 3.939 0.000 0.949) 4.052 23.330 ( 4.096 0.000 -1.074) 4.234 23.689 ( 1.428 0.000 0.436) 1.493 23.699 ( 1.808 0.000 -0.641) 1.919 25.654 ( -1.854 0.000 -0.343) 1.885 25.892 ( -8.042 0.000 -1.829) 8.247 25.950 ( 3.559 0.000 2.707) 4.472 26.317 ( 2.428 0.000 -2.778) 3.689 26.352 ( -9.574 0.000 2.780) 9.969 26.737 ( -0.617 0.000 -5.420) 5.455 27.091 ( -0.480 0.000 0.107) 0.492 27.099 ( 0.119 0.000 -0.230) 0.259 27.266 ( -19.474 0.000 -13.516) 23.705 27.673 ( -4.665 0.000 4.256) 6.315 28.183 ( 2.284 0.000 3.017) 3.783 28.210 ( 0.362 0.000 -1.788) 1.824 28.580 ( 6.521 0.000 9.796) 11.768 28.588 ( 3.407 0.000 -5.778) 6.708 28.744 ( 3.513 0.000 6.224) 7.147 28.862 ( 4.297 0.000 -2.496) 4.969 29.364 ( -5.079 0.000 8.028) 9.500 29.712 ( 3.818 0.000 0.893) 3.921 32.009 ( 1.160 0.000 1.155) 1.637 32.030 ( 1.655 0.000 -1.332) 2.125 32.039 ( -0.470 0.000 2.621) 2.663 32.071 ( -0.010 0.000 -2.676) 2.676 35.027 ( -0.324 0.000 0.990) 1.042 35.046 ( 0.077 0.000 -0.990) 0.993 35.462 ( 0.114 0.000 -1.371) 1.376 35.515 ( 1.846 0.000 1.468) 2.359 39.227 ( 0.671 0.000 0.811) 1.053 39.229 ( 0.877 0.000 -0.936) 1.283 39.507 ( -3.591 0.000 1.206) 3.788 39.613 ( -0.978 0.000 -3.564) 3.696 46.830 ( -0.386 0.000 0.712) 0.810 46.869 ( 0.707 0.000 -0.949) 1.183 47.439 ( -0.480 0.000 0.918) 1.036 47.476 ( 0.570 0.000 -1.001) 1.152 63.888 ( 0.695 0.000 -4.388) 4.443 63.940 ( 3.586 0.000 1.554) 3.908 66.485 ( -23.117 0.000 -15.617) 27.898 67.062 ( -5.279 0.000 23.753) 24.333 85.201 ( -1.199 0.000 1.357) 1.811 85.226 ( -1.147 0.000 -2.202) 2.482 85.533 ( -6.020 0.000 1.128) 6.125 85.904 ( 4.728 0.000 -3.576) 5.928 87.269 ( -1.899 0.000 -0.178) 1.907 87.270 ( -2.308 0.000 -1.112) 2.562 87.718 ( -17.792 0.000 6.625) 18.986 88.733 ( 0.950 0.000 -35.553) 35.566 ======================= Grid point 132 (62/90) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -7.022 0.000 23.071) 24.116 1.194 ( -14.738 0.000 26.342) 30.185 1.829 ( 6.908 0.000 -20.420) 21.557 1.868 ( -16.383 0.000 28.257) 32.662 2.189 ( -14.372 0.000 -12.076) 18.772 2.462 ( 6.678 0.000 -3.429) 7.507 2.963 ( -8.633 0.000 -19.362) 21.200 2.973 ( 15.918 0.000 4.597) 16.568 3.101 ( -7.355 0.000 -11.756) 13.867 3.201 ( 6.049 0.000 5.948) 8.484 3.605 ( 2.062 0.000 -0.561) 2.137 3.728 ( 0.420 0.000 5.195) 5.212 3.876 ( 18.076 0.000 -1.921) 18.178 3.902 ( 17.694 0.000 -0.168) 17.695 3.925 ( 2.586 0.000 -13.211) 13.461 3.987 ( -1.013 0.000 1.645) 1.932 4.110 ( 3.260 0.000 -0.966) 3.400 4.157 ( 10.114 0.000 0.825) 10.148 4.298 ( -2.938 0.000 13.397) 13.716 4.320 ( -6.032 0.000 -1.806) 6.297 4.526 ( 5.358 0.000 1.375) 5.532 4.663 ( 0.152 0.000 -3.308) 3.312 4.720 ( -3.242 0.000 6.492) 7.257 4.793 ( 1.101 0.000 -0.373) 1.163 4.994 ( -3.953 0.000 -2.476) 4.665 5.120 ( -1.839 0.000 2.120) 2.807 5.178 ( -6.566 0.000 8.521) 10.758 5.246 ( -1.205 0.000 -6.256) 6.371 5.266 ( 4.696 0.000 0.638) 4.739 5.318 ( 7.652 0.000 -4.221) 8.739 5.409 ( 2.215 0.000 2.501) 3.340 5.502 ( 7.023 0.000 2.718) 7.531 5.547 ( -11.161 0.000 -7.241) 13.304 5.562 ( -7.226 0.000 1.619) 7.405 5.694 ( 4.761 0.000 1.337) 4.945 5.742 ( -5.561 0.000 -5.622) 7.908 6.028 ( 1.726 0.000 3.171) 3.610 6.082 ( -11.078 0.000 -5.978) 12.588 6.083 ( -1.407 0.000 4.805) 5.006 6.170 ( -7.862 0.000 -0.685) 7.892 6.199 ( 5.678 0.000 -3.685) 6.769 6.215 ( 1.140 0.000 1.854) 2.177 6.275 ( 6.705 0.000 3.047) 7.365 6.329 ( 0.285 0.000 1.754) 1.777 6.429 ( -1.825 0.000 4.725) 5.065 6.492 ( -2.072 0.000 3.379) 3.963 6.542 ( 0.995 0.000 -5.079) 5.175 6.634 ( -0.265 0.000 -0.109) 0.287 6.662 ( -5.560 0.000 3.270) 6.451 6.779 ( 0.585 0.000 2.784) 2.844 6.963 ( 6.351 0.000 2.532) 6.837 6.970 ( -8.812 0.000 -7.233) 11.401 7.080 ( -0.630 0.000 -9.443) 9.464 7.215 ( -1.350 0.000 -3.949) 4.174 7.372 ( 1.031 0.000 -1.090) 1.500 7.465 ( 7.078 0.000 -0.970) 7.144 7.534 ( 3.408 0.000 -2.731) 4.367 7.587 ( -4.984 0.000 5.282) 7.263 7.691 ( -3.601 0.000 -0.158) 3.604 7.870 ( -7.140 0.000 0.672) 7.172 7.979 ( -0.568 0.000 6.948) 6.971 8.196 ( 23.194 0.000 8.946) 24.859 8.320 ( -1.381 0.000 -3.468) 3.733 8.435 ( -3.789 0.000 -2.578) 4.583 8.519 ( 10.986 0.000 -4.573) 11.899 8.621 ( -1.273 0.000 4.779) 4.945 8.768 ( -14.415 0.000 -13.405) 19.685 8.928 ( -6.808 0.000 11.911) 13.719 9.181 ( 8.581 0.000 9.722) 12.968 9.189 ( 1.913 0.000 1.326) 2.328 9.390 ( -3.636 0.000 -5.501) 6.594 9.421 ( 2.607 0.000 -2.794) 3.821 10.832 ( -7.302 0.000 0.190) 7.304 10.878 ( -4.566 0.000 0.337) 4.579 10.944 ( -0.038 0.000 1.114) 1.114 11.213 ( 4.968 0.000 -0.875) 5.044 11.375 ( -1.362 0.000 -1.755) 2.222 11.392 ( 4.834 0.000 0.540) 4.864 11.521 ( 3.616 0.000 0.831) 3.711 11.632 ( 0.373 0.000 0.774) 0.860 13.748 ( -7.049 0.000 -7.017) 9.946 13.794 ( -3.790 0.000 2.272) 4.419 13.876 ( -5.760 0.000 -5.166) 7.738 13.897 ( -7.924 0.000 0.722) 7.957 14.089 ( -0.770 0.000 5.397) 5.451 14.290 ( -4.673 0.000 -8.475) 9.677 14.473 ( -1.012 0.000 -0.673) 1.215 14.476 ( -2.273 0.000 0.694) 2.376 14.649 ( 3.848 0.000 5.689) 6.868 14.923 ( 3.330 0.000 -2.292) 4.043 15.407 ( -3.281 0.000 -4.849) 5.855 15.501 ( -10.812 0.000 -2.879) 11.189 22.551 ( -3.211 0.000 0.077) 3.212 22.621 ( -5.807 0.000 -3.252) 6.656 23.390 ( 3.412 0.000 0.534) 3.454 23.401 ( 3.380 0.000 -0.225) 3.388 23.722 ( 1.474 0.000 0.817) 1.685 23.730 ( 1.900 0.000 -0.996) 2.146 25.691 ( 5.058 0.000 2.228) 5.527 25.714 ( -5.923 0.000 -3.745) 7.008 26.047 ( 0.096 0.000 2.145) 2.147 26.165 ( -20.291 0.000 -14.527) 24.955 26.219 ( -4.322 0.000 5.230) 6.785 26.492 ( -10.678 0.000 -5.165) 11.861 27.089 ( 1.420 0.000 2.516) 2.889 27.100 ( 0.106 0.000 -0.280) 0.299 27.125 ( 3.618 0.000 5.901) 6.921 27.556 ( -8.316 0.000 0.512) 8.332 28.229 ( 2.386 0.000 -1.214) 2.677 28.247 ( 2.053 0.000 2.635) 3.340 28.586 ( 0.298 0.000 -4.798) 4.807 28.593 ( -3.897 0.000 3.255) 5.077 28.966 ( 7.231 0.000 -1.768) 7.444 29.007 ( 11.634 0.000 5.417) 12.833 29.385 ( 7.073 0.000 9.728) 12.028 29.750 ( -1.554 0.000 3.464) 3.797 32.023 ( -0.563 0.000 1.837) 1.921 32.054 ( 0.873 0.000 1.319) 1.582 32.055 ( 0.799 0.000 -1.620) 1.807 32.061 ( 1.030 0.000 -1.284) 1.646 35.024 ( -0.380 0.000 0.797) 0.883 35.042 ( -0.037 0.000 -0.826) 0.827 35.470 ( 1.491 0.000 -0.938) 1.762 35.545 ( 0.424 0.000 -0.364) 0.559 39.240 ( 0.318 0.000 0.589) 0.669 39.244 ( 1.134 0.000 -0.718) 1.342 39.449 ( -2.621 0.000 0.471) 2.663 39.543 ( -4.635 0.000 -3.969) 6.102 46.829 ( -0.135 0.000 0.819) 0.830 46.869 ( -0.097 0.000 -1.499) 1.502 47.440 ( 0.028 0.000 1.383) 1.383 47.479 ( 0.371 0.000 -1.262) 1.316 63.924 ( 5.160 0.000 -0.286) 5.168 64.010 ( 3.249 0.000 -0.301) 3.263 66.144 ( -2.273 0.000 4.941) 5.439 66.932 ( -21.606 0.000 21.654) 30.589 85.185 ( -1.061 0.000 0.955) 1.427 85.197 ( -0.718 0.000 -1.381) 1.557 85.465 ( -0.321 0.000 -0.403) 0.515 85.904 ( -3.749 0.000 -8.316) 9.122 87.223 ( -1.245 0.000 -1.817) 2.203 87.242 ( -0.945 0.000 0.475) 1.058 87.480 ( -9.473 0.000 1.288) 9.560 88.188 ( -39.310 0.000 -37.114) 54.062 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 4.289 14.850 24.838) 29.255 1.375 ( 0.270 17.826 23.830) 29.761 1.832 ( -6.480 11.363 -19.197) 23.229 1.931 ( 1.391 5.088 -26.700) 27.216 2.366 ( 1.786 33.979 32.228) 46.866 2.703 ( 10.619 5.853 2.263) 12.335 2.819 ( -13.372 6.133 -9.622) 17.579 2.959 ( -0.556 15.363 -22.674) 27.394 3.264 ( -3.216 3.465 8.034) 9.321 3.406 ( 6.040 7.553 -5.811) 11.282 3.568 ( 0.175 -1.748 8.183) 8.370 3.690 ( -6.242 -1.053 -2.537) 6.820 3.858 ( 5.401 -5.385 1.520) 7.777 3.933 ( -3.427 -4.991 -5.812) 8.392 4.004 ( -0.284 -1.104 2.914) 3.129 4.095 ( 6.790 -4.763 -5.375) 9.884 4.154 ( -2.685 -0.301 0.621) 2.772 4.180 ( 1.203 1.197 -2.173) 2.757 4.253 ( -1.490 3.413 7.368) 8.256 4.349 ( 0.998 2.147 -1.875) 3.020 4.583 ( -7.255 -5.350 3.871) 9.810 4.638 ( -0.682 -3.117 1.133) 3.386 4.730 ( 11.090 -3.965 -1.641) 11.891 4.768 ( 1.275 -0.042 0.020) 1.276 4.939 ( -2.237 -5.038 3.679) 6.627 5.010 ( -0.874 -1.679 -1.021) 2.150 5.150 ( 5.669 -3.375 6.452) 9.228 5.211 ( -6.907 -4.816 -4.161) 9.392 5.249 ( 1.949 -3.634 -1.108) 4.270 5.324 ( -3.090 -2.367 -5.188) 6.486 5.452 ( -0.657 -0.293 0.105) 0.728 5.468 ( -1.290 3.717 -0.866) 4.029 5.534 ( 3.895 5.675 1.667) 7.082 5.603 ( 0.697 4.882 -5.227) 7.186 5.803 ( -3.394 5.896 1.685) 7.009 5.831 ( 3.573 7.680 -1.297) 8.570 5.930 ( -4.840 -3.895 4.358) 7.589 5.958 ( 3.317 -6.528 1.099) 7.405 6.064 ( -2.348 1.781 1.525) 3.319 6.099 ( -0.098 5.471 -2.337) 5.950 6.200 ( 0.621 -0.151 3.693) 3.748 6.267 ( -0.692 -1.637 -2.677) 3.213 6.339 ( -3.811 0.089 6.381) 7.433 6.386 ( 4.980 -0.970 2.286) 5.564 6.447 ( -5.832 -1.652 -0.066) 6.062 6.501 ( 1.501 3.391 -4.845) 6.101 6.609 ( 1.841 0.371 2.324) 2.988 6.652 ( 5.211 -3.370 0.258) 6.211 6.678 ( 2.705 8.478 1.501) 9.025 6.754 ( -6.178 4.928 -4.149) 8.925 6.823 ( 0.673 -0.175 -0.275) 0.747 6.934 ( -3.116 -3.621 -10.175) 11.241 7.040 ( 4.003 -1.916 2.909) 5.306 7.116 ( -4.343 -3.154 -4.646) 7.099 7.475 ( -0.575 -1.142 3.563) 3.785 7.501 ( 3.893 0.611 1.073) 4.085 7.518 ( -10.432 -0.538 -0.314) 10.451 7.548 ( 3.443 -2.546 -3.151) 5.317 7.717 ( 6.323 1.523 2.442) 6.947 7.752 ( -0.961 1.760 -1.041) 2.259 8.022 ( 4.643 -2.188 8.476) 9.909 8.165 ( -3.577 -4.922 -6.709) 9.057 8.374 ( 0.365 -1.670 1.095) 2.030 8.401 ( -2.089 -0.130 -1.801) 2.761 8.563 ( -6.010 -2.049 6.081) 8.792 8.665 ( 3.151 -0.966 -3.946) 5.141 8.713 ( -9.248 -1.067 2.727) 9.701 8.771 ( 15.531 -1.914 -2.807) 15.898 9.193 ( -2.116 -1.481 5.983) 6.517 9.240 ( -3.012 -0.820 1.135) 3.322 9.376 ( 4.533 -3.439 2.201) 6.100 9.435 ( 1.565 -2.105 -4.600) 5.296 10.790 ( 1.821 2.430 1.166) 3.253 10.818 ( -2.186 2.725 -1.720) 3.894 11.031 ( 5.616 0.892 4.251) 7.100 11.121 ( -6.599 -0.117 -5.448) 8.558 11.458 ( 3.137 -3.790 3.521) 6.050 11.523 ( -3.218 -2.988 -3.290) 5.487 11.604 ( -3.861 6.566 3.307) 8.304 11.703 ( 3.617 12.478 -8.139) 15.331 13.692 ( 9.239 0.879 2.125) 9.521 13.729 ( -6.303 -0.389 -1.357) 6.459 13.781 ( -4.735 1.575 -0.219) 4.995 13.808 ( 2.196 -0.354 -2.475) 3.328 14.124 ( 1.103 1.496 4.061) 4.466 14.202 ( -1.242 -0.130 -3.893) 4.088 14.477 ( -0.071 1.291 0.041) 1.293 14.479 ( 0.620 2.165 -0.265) 2.268 14.741 ( 5.442 -3.263 8.569) 10.662 14.885 ( -5.679 -2.316 -6.688) 9.074 15.298 ( -4.502 -1.942 4.143) 6.419 15.368 ( 3.538 -1.995 -3.234) 5.192 22.550 ( -0.819 2.390 0.211) 2.535 22.554 ( 0.319 2.578 -0.231) 2.608 23.366 ( 0.330 -4.985 1.031) 5.102 23.387 ( -0.363 -4.528 -1.085) 4.670 23.858 ( -0.291 10.843 2.544) 11.141 23.927 ( 0.021 13.950 -5.320) 14.930 25.618 ( -8.544 -4.851 3.030) 10.282 25.660 ( 4.763 -4.513 -1.425) 6.715 25.820 ( 8.590 -6.595 3.883) 11.505 25.891 ( -8.260 -4.617 -4.196) 10.351 26.281 ( 2.407 -1.177 3.384) 4.316 26.352 ( -1.108 -2.609 -3.949) 4.861 27.072 ( 0.126 -1.490 2.466) 2.884 27.104 ( 0.597 0.378 -1.251) 1.437 27.373 ( 0.357 0.690 0.120) 0.786 27.390 ( 2.020 0.420 -1.602) 2.612 28.274 ( -0.412 1.556 3.084) 3.479 28.314 ( 1.528 3.124 -0.865) 3.583 28.502 ( -1.415 -1.541 1.745) 2.724 28.552 ( 0.537 -2.246 -4.052) 4.664 29.060 ( -0.997 1.304 3.306) 3.691 29.113 ( 0.520 2.640 -2.281) 3.527 29.644 ( -8.347 -2.133 1.374) 8.724 29.669 ( 13.369 -2.581 -1.188) 13.667 32.012 ( -0.514 -0.535 1.542) 1.711 32.034 ( -0.086 -1.071 -0.648) 1.254 32.087 ( 0.851 0.721 -0.530) 1.235 32.088 ( 0.040 1.099 -0.583) 1.244 35.062 ( -0.282 3.349 1.386) 3.635 35.098 ( 0.602 4.456 -2.588) 5.188 35.486 ( -2.325 -1.837 0.451) 2.998 35.488 ( 1.110 -1.460 0.060) 1.835 39.248 ( -0.527 0.391 0.788) 1.025 39.264 ( 0.641 0.764 -0.945) 1.374 39.427 ( 0.534 -0.747 0.696) 1.152 39.438 ( -1.593 -0.717 -0.431) 1.800 46.850 ( 0.047 1.627 1.061) 1.943 46.871 ( -0.255 1.671 -1.083) 2.007 47.424 ( -0.058 -2.355 1.845) 2.992 47.461 ( 0.021 -1.849 -2.169) 2.850 64.262 ( 0.068 21.030 7.177) 22.221 64.479 ( -2.436 32.237 -18.146) 37.074 66.517 ( -24.101 -1.443 6.577) 25.024 66.635 ( 42.526 -2.776 -5.509) 42.971 85.177 ( -0.514 0.228 0.814) 0.989 85.197 ( 0.870 0.457 -1.379) 1.693 85.512 ( 6.307 -3.567 2.271) 7.593 85.541 ( -12.956 -5.931 -0.310) 14.252 87.237 ( -3.997 1.576 1.268) 4.479 87.268 ( 5.540 1.699 -1.871) 6.089 87.424 ( 6.170 1.632 5.668) 8.536 87.552 ( -15.438 6.978 -8.957) 19.164 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -4.243 10.495 6.777) 13.194 1.594 ( 7.861 7.261 23.436) 25.763 1.671 ( 0.492 18.515 -10.578) 21.329 1.903 ( 6.059 9.632 -16.634) 20.154 2.485 ( -14.015 6.276 -2.370) 15.538 2.713 ( 14.488 21.931 21.067) 33.686 2.877 ( 2.809 9.348 -8.116) 12.694 2.971 ( 9.787 9.125 -0.593) 13.394 3.152 ( -4.469 13.822 -2.713) 14.777 3.415 ( -2.317 5.137 -6.357) 8.495 3.544 ( -6.909 -3.159 3.572) 8.395 3.641 ( -1.692 -2.394 4.101) 5.041 3.754 ( -6.070 -2.979 -4.375) 8.054 3.841 ( -11.249 -3.039 -3.653) 12.212 3.956 ( -8.024 -2.799 0.312) 8.504 3.978 ( -8.856 -0.609 -2.902) 9.339 4.131 ( 0.591 0.741 5.579) 5.659 4.181 ( -7.644 -0.117 -0.206) 7.647 4.249 ( -7.328 5.906 1.064) 9.472 4.379 ( 10.393 -7.861 -1.716) 13.143 4.505 ( 0.858 -4.610 -0.979) 4.791 4.696 ( 4.595 2.505 -0.388) 5.248 4.742 ( -3.638 0.629 3.238) 4.911 4.832 ( 4.838 0.236 -3.652) 6.066 4.949 ( -1.804 -2.228 -0.519) 2.913 5.002 ( 2.045 -8.447 -2.532) 9.053 5.113 ( -2.001 -5.572 0.418) 5.935 5.247 ( -0.439 -0.804 -0.118) 0.924 5.286 ( 1.401 -0.943 0.596) 1.791 5.340 ( 1.250 -3.833 0.169) 4.035 5.400 ( 9.557 0.768 3.268) 10.129 5.546 ( -1.208 7.226 -2.995) 7.915 5.589 ( 2.918 4.384 -1.251) 5.413 5.636 ( 4.640 -1.691 -2.798) 5.676 5.674 ( -6.729 5.753 -0.775) 8.886 5.866 ( -4.491 6.027 3.291) 8.206 5.926 ( 3.172 -2.665 1.301) 4.343 6.021 ( 3.145 1.866 1.687) 4.028 6.060 ( 1.827 -1.604 1.851) 3.056 6.141 ( -0.550 0.064 1.249) 1.366 6.177 ( -0.556 -1.639 0.696) 1.866 6.258 ( 3.259 0.049 -0.143) 3.263 6.314 ( -1.408 2.376 1.666) 3.226 6.360 ( -0.579 -0.948 4.635) 4.766 6.440 ( -0.178 1.566 -2.996) 3.386 6.513 ( 0.554 1.575 2.369) 2.898 6.578 ( -4.272 -4.155 -1.278) 6.095 6.672 ( -0.817 7.586 -4.757) 8.991 6.744 ( 3.956 0.747 -1.670) 4.359 6.823 ( 0.241 0.073 -0.947) 0.980 6.873 ( 3.316 -2.980 0.221) 4.464 6.881 ( 9.461 0.291 4.081) 10.308 7.023 ( -2.818 -0.136 -4.396) 5.223 7.149 ( 5.123 0.020 3.888) 6.431 7.313 ( -9.447 -1.534 1.121) 9.636 7.431 ( -5.730 -1.689 1.305) 6.114 7.488 ( -0.439 1.609 3.604) 3.971 7.668 ( 4.940 -0.876 -0.870) 5.092 7.756 ( 3.426 1.800 -6.200) 7.309 7.867 ( 7.140 -3.263 -0.591) 7.872 7.961 ( -7.946 -3.552 -2.630) 9.092 8.201 ( 4.123 -2.559 2.165) 5.313 8.331 ( -13.056 -2.232 -1.272) 13.306 8.383 ( 1.182 -0.060 1.052) 1.583 8.495 ( -8.503 2.464 0.681) 8.879 8.567 ( 9.108 0.545 8.268) 12.313 8.699 ( -0.725 -1.371 -4.284) 4.557 8.978 ( 2.453 -6.974 -3.470) 8.167 9.145 ( -0.967 -1.943 2.670) 3.441 9.260 ( 0.627 -2.995 5.352) 6.165 9.407 ( -0.578 -1.112 -9.547) 9.629 9.435 ( 2.867 1.370 -1.602) 3.559 10.828 ( 3.599 0.205 -0.055) 3.605 10.900 ( 8.596 2.283 0.965) 8.946 10.983 ( -5.136 0.783 -4.183) 6.670 11.160 ( 4.501 0.034 4.799) 6.579 11.411 ( -6.715 -1.427 -2.073) 7.171 11.438 ( -7.884 4.197 3.094) 9.452 11.510 ( -0.949 -1.419 2.379) 2.928 11.751 ( 0.463 8.904 -5.110) 10.276 13.650 ( 1.417 -2.584 -0.222) 2.955 13.739 ( -0.628 -2.198 1.274) 2.617 13.843 ( 3.030 -2.570 -1.141) 4.133 13.947 ( 11.823 2.944 -0.694) 12.204 14.152 ( 1.146 -0.089 -0.444) 1.232 14.238 ( 5.820 1.372 -0.184) 5.982 14.457 ( -0.715 1.048 -0.806) 1.503 14.530 ( 3.595 2.627 -0.900) 4.543 14.703 ( -6.997 -3.553 -4.137) 8.871 14.870 ( 1.105 -0.656 4.895) 5.060 15.266 ( -0.275 -3.324 4.529) 5.625 15.453 ( 5.529 -3.672 -1.980) 6.926 22.580 ( 3.662 2.097 0.364) 4.235 22.604 ( 4.516 2.696 0.060) 5.260 23.341 ( -3.097 -5.019 -0.005) 5.898 23.349 ( -3.096 -3.863 -0.024) 4.951 23.852 ( -1.712 11.718 2.802) 12.169 23.885 ( -1.881 12.390 -3.422) 12.991 25.562 ( -0.021 -5.955 3.338) 6.827 25.742 ( -2.981 -0.840 -1.978) 3.675 25.846 ( 10.164 -8.900 0.892) 13.540 26.035 ( 11.868 -8.853 3.460) 15.205 26.233 ( -3.933 -1.940 -0.805) 4.459 26.442 ( 8.618 -1.448 -1.381) 8.848 27.087 ( 0.493 -1.014 1.106) 1.580 27.123 ( 2.357 1.210 -0.988) 2.828 27.272 ( -4.420 1.683 -2.713) 5.453 27.545 ( 9.086 -2.489 -2.553) 9.761 28.241 ( -2.851 2.706 1.399) 4.172 28.313 ( -1.520 1.159 -2.985) 3.545 28.485 ( -0.189 0.115 2.511) 2.520 28.608 ( 5.087 -2.857 -1.408) 6.002 28.955 ( -7.320 0.954 0.393) 7.392 29.128 ( -4.186 4.849 -0.159) 6.407 29.486 ( -4.754 -2.426 -4.158) 6.765 29.780 ( -0.218 -2.290 -1.513) 2.753 32.008 ( -0.601 -0.640 1.461) 1.705 32.025 ( -0.981 -1.087 0.288) 1.492 32.076 ( -0.879 1.147 -0.866) 1.685 32.092 ( 0.361 0.439 -1.565) 1.665 35.059 ( -0.554 3.140 1.023) 3.349 35.096 ( 0.314 4.234 -1.791) 4.608 35.439 ( -2.070 -0.839 1.429) 2.651 35.513 ( 0.502 -1.742 0.535) 1.890 39.234 ( -1.235 0.351 0.778) 1.501 39.263 ( -0.181 0.960 -0.926) 1.345 39.451 ( 3.035 -0.798 -0.192) 3.144 39.473 ( 2.990 -1.175 1.392) 3.501 46.858 ( 0.064 1.501 1.210) 1.929 46.865 ( 0.106 1.872 -0.927) 2.091 47.429 ( -0.324 -2.322 1.771) 2.938 47.447 ( -0.317 -2.046 -1.818) 2.756 64.185 ( -9.187 20.678 4.554) 23.081 64.360 ( -4.241 29.223 -6.309) 30.196 66.224 ( -4.815 -1.354 -2.393) 5.545 67.271 ( 27.187 -12.283 -21.691) 36.884 85.179 ( 0.370 0.283 0.890) 1.004 85.215 ( 1.699 0.594 -1.808) 2.551 85.431 ( 2.153 -1.612 1.119) 2.913 85.679 ( 6.055 -5.263 6.497) 10.323 87.217 ( 1.368 1.368 0.336) 1.963 87.366 ( -0.263 7.356 -6.604) 9.889 87.453 ( 12.856 -2.312 -0.623) 13.077 87.695 ( 14.740 -1.896 15.717) 21.631 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 7.130 6.936 -4.538) 10.933 1.654 ( 1.606 15.797 6.290) 17.079 1.856 ( 10.740 6.567 -4.849) 13.490 2.080 ( 14.234 6.536 10.281) 18.736 2.214 ( -15.548 8.040 12.310) 21.399 2.780 ( -11.468 9.139 -7.649) 16.540 2.855 ( -1.864 4.030 -6.849) 8.162 3.074 ( 2.437 1.205 4.908) 5.611 3.206 ( -8.926 6.328 -6.144) 12.548 3.323 ( -8.387 1.208 -6.813) 10.873 3.414 ( -0.729 8.837 3.284) 9.456 3.495 ( -1.402 1.746 5.393) 5.839 3.648 ( 2.480 -1.796 -7.647) 8.237 3.743 ( -6.458 -0.453 1.977) 6.769 3.816 ( -0.288 2.944 -0.608) 3.020 3.883 ( -4.989 -0.880 -1.872) 5.401 3.999 ( -5.143 -1.458 4.005) 6.679 4.159 ( -1.632 7.036 1.856) 7.458 4.202 ( 0.163 3.898 4.495) 5.952 4.503 ( 2.428 -4.126 -10.604) 11.634 4.569 ( 3.669 -3.616 -0.208) 5.155 4.598 ( -5.141 -1.440 6.808) 8.652 4.731 ( -5.896 6.119 -1.220) 8.584 4.872 ( 0.597 -2.500 -0.411) 2.603 4.974 ( 4.249 -4.836 1.302) 6.568 5.082 ( 8.638 -1.009 -7.682) 11.604 5.103 ( 2.714 -4.504 -1.364) 5.432 5.241 ( -0.297 2.885 1.677) 3.350 5.287 ( -3.456 2.137 2.773) 4.919 5.347 ( -1.184 1.447 1.120) 2.180 5.467 ( 0.223 0.523 -5.254) 5.285 5.572 ( -3.119 4.184 2.229) 5.674 5.597 ( 3.641 2.510 -2.167) 4.925 5.679 ( 2.726 0.707 -0.601) 2.880 5.701 ( 7.774 -1.155 2.365) 8.207 5.824 ( 1.541 4.757 2.837) 5.749 5.947 ( 1.120 0.699 1.243) 1.813 6.028 ( -1.129 -3.001 -0.219) 3.214 6.110 ( -3.051 1.037 -0.257) 3.233 6.189 ( 2.876 1.506 1.134) 3.439 6.238 ( 7.978 -0.354 5.401) 9.641 6.287 ( 4.265 -0.855 0.436) 4.372 6.345 ( -6.073 -1.534 3.301) 7.080 6.365 ( -0.498 2.400 -0.155) 2.456 6.455 ( 3.385 -3.029 -3.613) 5.804 6.479 ( -3.699 3.476 4.778) 6.971 6.535 ( 1.884 -1.517 1.788) 3.008 6.610 ( -4.254 4.155 -4.262) 7.316 6.763 ( -0.073 2.321 -3.594) 4.279 6.862 ( 3.703 -1.892 -1.932) 4.585 6.938 ( -2.081 1.365 0.720) 2.591 6.952 ( 4.392 -3.675 1.484) 5.916 7.068 ( 1.850 -1.260 -0.495) 2.292 7.189 ( -3.309 -4.649 0.290) 5.713 7.253 ( 3.732 2.480 2.596) 5.179 7.345 ( -4.857 -1.162 4.748) 6.891 7.495 ( -1.171 2.852 2.583) 4.022 7.704 ( -4.811 -4.819 -7.088) 9.829 7.764 ( 5.614 -0.006 -2.183) 6.024 7.860 ( 3.075 -2.391 -1.196) 4.075 7.978 ( 0.238 0.847 -1.037) 1.360 8.120 ( -3.130 1.421 -0.675) 3.503 8.226 ( -2.539 -0.925 -0.420) 2.735 8.332 ( -3.871 3.182 3.600) 6.169 8.485 ( 3.171 -3.380 1.905) 5.011 8.620 ( -4.454 -2.724 -2.079) 5.620 8.781 ( 1.606 -5.530 5.649) 8.066 8.935 ( 0.434 -0.640 1.375) 1.578 9.064 ( -7.183 -1.959 -4.004) 8.454 9.316 ( 1.865 -1.699 4.031) 4.756 9.359 ( 1.618 -0.636 -9.266) 9.428 9.492 ( 3.328 3.663 -2.077) 5.367 10.891 ( -3.037 1.534 -1.574) 3.749 10.940 ( 7.456 -2.187 2.192) 8.073 11.067 ( 8.013 0.424 -0.009) 8.024 11.175 ( -5.143 3.396 0.936) 6.234 11.288 ( -4.466 -1.853 -1.016) 4.941 11.396 ( -0.047 1.247 5.537) 5.675 11.485 ( -2.072 -1.019 1.288) 2.644 11.656 ( -5.632 5.503 -8.745) 11.768 13.746 ( 4.284 -1.235 5.160) 6.820 13.769 ( 4.676 -8.208 -0.172) 9.448 13.877 ( 0.689 -5.289 0.772) 5.390 14.079 ( 3.167 3.268 -0.488) 4.577 14.178 ( 2.516 -0.924 -4.901) 5.586 14.349 ( 2.421 4.805 0.329) 5.391 14.438 ( 1.337 -3.100 0.461) 3.407 14.574 ( 1.367 0.509 -1.507) 2.097 14.631 ( 2.112 0.558 -2.580) 3.381 14.858 ( -3.556 0.714 2.115) 4.198 15.321 ( 2.569 -6.575 6.506) 9.600 15.525 ( 2.894 -6.948 -1.154) 7.615 22.664 ( 4.536 1.554 0.922) 4.882 22.695 ( 4.874 2.992 -0.265) 5.725 23.274 ( -4.306 -4.265 0.610) 6.091 23.282 ( -3.290 -3.133 -0.843) 4.621 23.827 ( -2.213 11.363 2.037) 11.754 23.838 ( -1.473 11.931 -2.077) 12.200 25.561 ( -0.515 -7.779 0.696) 7.827 25.789 ( 5.663 -4.537 1.789) 7.474 25.928 ( 0.305 -5.788 -2.892) 6.478 26.171 ( -0.106 -9.127 -0.352) 9.134 26.311 ( 10.073 -3.616 8.466) 13.646 26.605 ( 9.065 -3.798 -3.211) 10.339 27.099 ( 0.251 -0.055 0.904) 0.940 27.190 ( -0.940 1.128 -4.629) 4.856 27.205 ( 5.124 5.072 4.316) 8.403 27.672 ( 5.957 -5.376 -3.118) 8.608 28.212 ( -0.868 2.486 1.258) 2.919 28.248 ( -2.617 -0.624 -4.681) 5.399 28.498 ( -0.875 2.755 2.921) 4.109 28.684 ( 2.663 -0.995 -0.940) 2.994 28.835 ( -5.087 0.031 -0.574) 5.120 28.948 ( -10.485 5.800 -4.612) 12.839 29.474 ( 3.842 -1.242 -4.149) 5.789 29.699 ( -7.309 0.365 2.293) 7.669 32.001 ( -1.731 -0.619 0.986) 2.086 32.006 ( -0.379 -0.934 1.029) 1.440 32.055 ( -0.840 1.096 -0.573) 1.496 32.090 ( 0.435 -0.030 -2.292) 2.333 35.056 ( -0.304 2.854 0.971) 3.030 35.091 ( -0.072 3.653 -1.138) 3.827 35.428 ( -0.127 -0.631 1.420) 1.559 35.510 ( -0.812 -1.557 -0.103) 1.759 39.217 ( -0.903 0.555 0.905) 1.394 39.253 ( -0.367 0.995 -1.016) 1.469 39.515 ( 3.330 -1.645 0.068) 3.715 39.532 ( 2.510 -1.428 1.044) 3.071 46.862 ( -0.145 1.540 0.778) 1.731 46.865 ( 0.235 1.863 -0.470) 1.936 47.429 ( -0.467 -2.462 1.256) 2.803 47.437 ( 0.041 -2.211 -1.248) 2.539 64.064 ( -5.576 19.511 5.028) 20.906 64.253 ( -3.755 24.866 -4.927) 25.626 66.310 ( 11.584 -3.579 2.676) 12.416 67.410 ( 2.152 -12.565 -21.760) 25.219 85.196 ( 0.694 0.313 1.334) 1.536 85.239 ( 1.904 0.547 -2.196) 2.958 85.542 ( 8.093 -1.756 -1.869) 8.490 85.756 ( -1.013 -4.064 6.119) 7.416 87.260 ( 2.593 0.341 -0.089) 2.617 87.348 ( 1.071 3.815 -4.172) 5.754 87.770 ( 21.844 -5.803 -6.509) 23.521 88.008 ( 5.841 -8.701 23.483) 25.715 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 10.854 4.334 3.902) 12.322 1.780 ( 6.799 12.104 8.030) 16.038 1.935 ( -4.389 8.164 2.853) 9.698 2.069 ( 1.147 0.571 -0.636) 1.430 2.303 ( -4.273 4.318 11.104) 12.657 2.624 ( -2.408 7.042 -6.065) 9.601 2.691 ( -3.414 2.363 -4.849) 6.384 2.977 ( -5.178 3.029 -2.669) 6.566 2.992 ( -2.826 -0.975 -3.767) 4.809 3.183 ( -5.202 -3.930 -3.781) 7.537 3.434 ( 0.240 1.001 6.068) 6.154 3.557 ( -6.568 7.007 -3.089) 10.088 3.577 ( 2.008 4.981 -1.883) 5.692 3.689 ( -2.890 -0.297 -2.028) 3.543 3.841 ( 6.345 7.083 -6.658) 11.609 3.857 ( -3.501 0.483 1.807) 3.969 4.040 ( 1.913 0.848 9.486) 9.714 4.173 ( 8.592 2.771 -4.040) 9.891 4.250 ( 1.696 1.160 5.052) 5.454 4.348 ( -12.977 5.498 -0.913) 14.123 4.473 ( -1.296 0.145 -7.587) 7.698 4.532 ( -9.392 2.963 -5.663) 11.360 4.827 ( 12.432 -0.857 2.519) 12.713 4.908 ( 0.733 -3.343 4.449) 5.613 5.084 ( 1.056 0.883 6.977) 7.111 5.121 ( 0.328 -0.551 -0.892) 1.098 5.163 ( -0.576 1.854 0.403) 1.983 5.199 ( 3.743 -0.424 -1.865) 4.203 5.325 ( 7.062 1.727 -5.616) 9.187 5.356 ( 1.477 2.592 3.108) 4.308 5.441 ( -2.535 -2.415 -1.017) 3.646 5.525 ( -3.500 1.597 3.974) 5.531 5.643 ( 4.063 0.891 -4.272) 5.963 5.702 ( -4.198 5.606 -5.219) 8.734 5.798 ( 5.706 4.179 0.261) 7.077 5.898 ( 2.417 3.214 1.355) 4.244 5.988 ( -4.058 -0.069 1.688) 4.395 6.005 ( -1.950 1.586 1.330) 2.844 6.118 ( 7.793 -2.514 1.934) 8.414 6.220 ( -1.717 1.367 3.419) 4.063 6.239 ( -0.343 -2.748 3.302) 4.310 6.320 ( -0.190 -1.418 0.887) 1.683 6.351 ( -0.134 1.252 -0.439) 1.333 6.397 ( -3.078 0.528 0.777) 3.218 6.437 ( -1.148 1.100 1.435) 2.142 6.490 ( 6.152 1.729 6.169) 8.882 6.548 ( -1.221 -0.577 -6.852) 6.984 6.573 ( 0.500 -4.269 5.511) 6.989 6.744 ( 1.533 -0.960 -6.119) 6.381 6.852 ( -8.289 -2.608 -6.418) 10.803 6.909 ( -1.962 1.486 1.912) 3.117 6.948 ( -1.323 -1.680 -1.268) 2.486 7.073 ( 5.300 -2.103 3.015) 6.450 7.193 ( -0.121 1.468 0.896) 1.724 7.254 ( -2.742 -0.202 0.965) 2.914 7.305 ( -2.190 0.612 -1.169) 2.557 7.472 ( -1.775 -0.028 2.407) 2.991 7.627 ( 0.135 -4.475 -8.566) 9.665 7.837 ( 3.682 -0.497 -0.322) 3.730 7.899 ( -1.880 -2.107 -0.245) 2.834 8.032 ( 7.542 0.571 2.260) 7.894 8.152 ( 1.548 0.645 2.623) 3.113 8.222 ( 6.180 -0.549 -0.737) 6.248 8.318 ( -1.301 4.322 4.521) 6.389 8.516 ( -2.464 -3.290 0.647) 4.161 8.560 ( -0.821 -2.591 2.260) 3.535 8.667 ( -7.500 -2.838 -1.207) 8.109 8.794 ( -10.507 -2.806 -6.893) 12.876 9.149 ( 7.868 2.411 4.671) 9.462 9.346 ( 0.478 0.245 -3.343) 3.386 9.362 ( 0.666 -2.445 1.859) 3.143 9.504 ( -0.271 1.808 -4.177) 4.559 10.866 ( 1.271 3.205 0.650) 3.508 11.021 ( -7.031 5.517 -3.234) 9.504 11.119 ( 7.573 -1.422 5.527) 9.483 11.177 ( 2.950 -1.946 2.085) 4.103 11.232 ( -1.728 -3.406 -1.318) 4.040 11.413 ( -2.279 -1.041 2.786) 3.747 11.464 ( -3.628 -3.313 0.602) 4.950 11.523 ( 0.348 5.974 -9.090) 10.883 13.820 ( 3.344 -6.317 1.803) 7.371 13.869 ( -1.068 -8.763 0.227) 8.830 13.887 ( 3.628 -2.737 5.334) 7.007 14.088 ( -0.911 1.851 -4.329) 4.796 14.181 ( 0.446 1.165 -1.014) 1.607 14.293 ( -2.905 3.670 -5.642) 7.331 14.548 ( 3.779 -1.370 7.002) 8.074 14.615 ( 4.065 -0.059 -0.945) 4.173 14.666 ( 1.953 1.934 -2.368) 3.628 14.783 ( -4.497 -0.656 -1.121) 4.681 15.408 ( 3.131 -8.830 6.647) 11.487 15.541 ( -0.266 -8.572 -1.878) 8.779 22.734 ( 1.807 1.529 1.686) 2.906 22.763 ( 2.642 3.305 -1.300) 4.427 23.211 ( -2.358 -3.085 1.062) 4.026 23.233 ( -1.258 -3.314 -1.307) 3.778 23.798 ( -1.674 10.904 1.548) 11.140 23.816 ( 0.286 11.787 -1.786) 11.925 25.590 ( 2.778 -8.310 3.022) 9.268 25.779 ( -4.867 -10.176 -4.701) 12.220 26.007 ( 7.754 -1.413 2.178) 8.177 26.149 ( -2.923 -7.393 -0.487) 7.965 26.472 ( 2.837 -5.129 8.306) 10.166 26.683 ( 2.288 -2.808 -7.509) 8.336 27.105 ( -0.292 0.663 1.363) 1.543 27.148 ( -0.606 3.511 -2.641) 4.435 27.401 ( 9.760 -0.619 9.357) 13.534 27.716 ( 0.421 -6.815 -5.499) 8.767 28.199 ( -0.438 -0.689 -1.691) 1.877 28.208 ( -0.402 1.615 -1.409) 2.181 28.483 ( -1.303 6.038 3.077) 6.901 28.627 ( -5.765 4.123 -3.878) 8.079 28.784 ( -1.973 0.200 0.945) 2.197 28.830 ( 1.070 1.134 -5.444) 5.663 29.539 ( 3.775 -0.266 -1.688) 4.143 29.573 ( -6.879 1.793 3.765) 8.045 31.981 ( -0.985 -0.335 1.368) 1.719 32.003 ( -0.078 -0.840 -0.135) 0.854 32.043 ( -0.385 0.800 0.561) 1.050 32.086 ( 0.391 -0.300 -2.513) 2.561 35.057 ( -0.322 2.782 1.366) 3.116 35.085 ( 0.198 3.169 -1.361) 3.455 35.441 ( 0.737 -0.747 1.399) 1.748 35.488 ( -1.094 -1.192 -0.814) 1.812 39.212 ( -0.229 0.715 1.066) 1.304 39.241 ( -0.255 1.030 -1.202) 1.603 39.552 ( -0.103 -1.944 2.343) 3.046 39.577 ( 2.506 -1.621 -1.782) 3.476 46.860 ( -0.527 1.604 0.931) 1.928 46.869 ( 0.531 1.895 -0.760) 2.109 47.425 ( -0.568 -2.600 0.974) 2.834 47.436 ( 0.504 -2.349 -0.980) 2.595 64.027 ( -2.493 17.753 7.717) 19.517 64.192 ( 0.936 22.370 -8.168) 23.833 66.585 ( 12.691 -6.142 11.797) 18.384 67.220 ( -9.770 -10.678 -20.645) 25.213 85.212 ( 0.141 0.360 1.707) 1.750 85.257 ( 1.271 0.454 -2.744) 3.058 85.674 ( 7.094 -2.010 -2.119) 7.671 85.720 ( -5.051 -2.419 4.280) 7.049 87.298 ( 1.418 0.328 0.027) 1.455 87.346 ( 0.330 2.196 -3.285) 3.965 88.087 ( -8.595 -10.248 20.075) 24.123 88.143 ( 22.141 -10.945 -10.144) 26.700 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -16.313 10.769 14.660) 24.433 1.660 ( -18.387 -2.261 7.459) 19.971 2.006 ( -2.372 7.125 -9.735) 12.295 2.141 ( 18.391 8.801 1.543) 20.446 2.434 ( 14.845 2.060 10.805) 18.476 2.496 ( 0.141 5.840 -10.310) 11.850 2.756 ( -1.775 9.273 -1.238) 9.522 2.889 ( 0.914 6.589 -10.512) 12.440 3.052 ( 3.261 -7.982 0.743) 8.655 3.164 ( 10.538 -5.754 -2.824) 12.334 3.460 ( -3.958 5.727 5.154) 8.662 3.539 ( 2.883 7.502 0.200) 8.039 3.587 ( 2.351 1.968 3.447) 4.613 3.609 ( 0.179 3.133 -3.860) 4.975 3.707 ( -10.499 5.573 5.633) 13.153 3.911 ( 1.885 2.100 -2.577) 3.821 4.079 ( -3.510 2.339 4.113) 5.891 4.201 ( 3.120 -0.569 6.653) 7.370 4.224 ( -5.986 -1.137 -5.500) 8.208 4.390 ( 3.296 3.621 -3.236) 5.869 4.438 ( 5.186 0.684 -4.797) 7.098 4.489 ( 11.603 1.196 -1.169) 11.723 4.857 ( -6.705 -2.910 -1.056) 7.385 5.007 ( 2.232 -7.310 -2.022) 7.906 5.046 ( -2.551 2.741 3.155) 4.896 5.095 ( -1.147 0.141 4.296) 4.449 5.165 ( -2.246 2.155 -1.798) 3.594 5.239 ( 1.642 4.164 -3.203) 5.504 5.338 ( -13.831 3.206 -4.546) 14.908 5.411 ( 1.772 3.860 0.463) 4.272 5.432 ( 0.922 -0.455 -0.667) 1.226 5.533 ( 9.770 -1.130 1.026) 9.888 5.582 ( -1.251 2.456 1.627) 3.201 5.679 ( 1.346 2.472 -3.885) 4.798 5.776 ( -7.799 4.576 2.134) 9.291 5.903 ( -3.393 1.782 0.549) 3.871 6.003 ( 6.208 3.863 0.822) 7.357 6.020 ( 2.045 -0.606 -0.643) 2.228 6.138 ( -10.011 -4.548 -0.787) 11.024 6.227 ( 2.385 -0.036 3.487) 4.225 6.268 ( -2.471 -1.069 1.525) 3.094 6.305 ( 0.585 4.285 3.535) 5.586 6.348 ( 1.025 -1.472 0.378) 1.833 6.376 ( 0.484 -0.094 1.394) 1.479 6.438 ( -1.071 0.076 2.513) 2.733 6.478 ( 3.623 1.183 -0.843) 3.903 6.587 ( -9.407 -0.334 -3.441) 10.022 6.644 ( 2.810 -3.176 3.168) 5.293 6.688 ( 2.206 1.095 -1.067) 2.684 6.755 ( 3.784 -4.488 -1.684) 6.107 6.909 ( 0.718 0.425 1.566) 1.774 6.939 ( -0.495 1.487 -0.965) 1.840 7.132 ( -3.792 -1.670 -1.566) 4.429 7.207 ( 4.230 -0.952 2.015) 4.781 7.250 ( 2.382 1.408 1.407) 3.104 7.297 ( 4.725 0.883 -2.924) 5.626 7.472 ( -1.030 -3.224 5.845) 6.755 7.579 ( 0.112 -1.153 -8.421) 8.500 7.788 ( -6.221 0.053 1.552) 6.412 7.968 ( 6.321 -4.561 -5.239) 9.392 8.060 ( -6.234 -1.123 2.084) 6.669 8.155 ( -0.964 -1.506 -0.495) 1.855 8.261 ( -5.780 4.776 -2.236) 7.824 8.389 ( 3.968 3.184 -2.520) 5.678 8.516 ( -0.678 -2.707 0.886) 2.928 8.545 ( 7.903 -3.437 7.532) 11.445 8.634 ( -1.482 -2.187 -0.591) 2.707 8.689 ( 6.226 -2.390 1.518) 6.840 9.192 ( -6.836 1.542 4.496) 8.326 9.283 ( -3.588 1.134 -4.554) 5.908 9.407 ( 0.981 -1.105 3.419) 3.725 9.484 ( 1.555 -1.414 -4.918) 5.348 10.884 ( -3.352 5.610 -0.305) 6.542 10.967 ( 6.030 5.940 1.553) 8.605 11.167 ( -2.629 -3.167 0.304) 4.128 11.220 ( 0.681 -2.620 -0.198) 2.714 11.247 ( -7.703 -1.576 -1.938) 8.098 11.325 ( 5.356 -0.394 4.452) 6.976 11.447 ( 0.475 -1.880 2.024) 2.803 11.548 ( 3.454 2.672 -6.821) 8.099 13.820 ( -3.711 -9.048 1.166) 9.849 13.869 ( 0.536 -7.930 0.427) 7.960 13.974 ( 2.390 -0.822 5.664) 6.203 14.023 ( -1.851 0.872 -7.198) 7.483 14.171 ( -3.476 4.095 1.325) 5.532 14.260 ( 3.112 2.093 -2.768) 4.661 14.580 ( -2.585 -0.366 3.118) 4.066 14.631 ( -2.145 0.984 -0.444) 2.402 14.693 ( -3.372 -1.650 -6.183) 7.233 14.748 ( 6.390 0.338 2.317) 6.805 15.483 ( 0.837 -10.270 3.413) 10.855 15.508 ( -0.889 -8.777 -2.834) 9.266 22.731 ( -2.882 2.633 1.445) 4.162 22.774 ( -0.752 2.014 -1.760) 2.778 23.210 ( 1.527 -3.093 1.099) 3.620 23.233 ( 2.075 -3.240 -1.254) 4.047 23.786 ( -0.340 10.492 1.336) 10.582 23.833 ( 2.386 12.357 -1.924) 12.731 25.637 ( -3.799 -9.239 0.335) 9.995 25.706 ( 3.841 -8.938 0.419) 9.738 26.045 ( -7.498 -4.798 -1.844) 9.091 26.137 ( 4.584 -5.257 0.848) 7.026 26.502 ( -3.671 -2.370 8.614) 9.659 26.657 ( -0.187 -4.028 -8.066) 9.018 27.102 ( -0.794 1.042 1.668) 2.121 27.139 ( 0.569 2.788 -1.632) 3.280 27.580 ( 3.126 -5.045 7.833) 9.828 27.608 ( -7.217 -4.206 -11.332) 14.078 28.161 ( -2.577 0.282 0.425) 2.627 28.225 ( 2.414 0.584 -1.552) 2.928 28.472 ( -1.891 6.140 4.655) 7.933 28.615 ( 7.839 6.060 -3.288) 10.440 28.750 ( -2.542 0.174 2.174) 3.349 28.846 ( 2.447 1.267 -4.767) 5.507 29.461 ( -6.825 1.952 6.028) 9.313 29.624 ( 4.881 -0.199 -1.109) 5.009 31.981 ( 0.310 -0.386 1.394) 1.479 32.005 ( 0.451 -0.685 -0.528) 0.976 32.044 ( 0.013 0.630 1.080) 1.251 32.080 ( 0.354 -0.166 -2.441) 2.472 35.056 ( -0.499 2.702 1.330) 3.053 35.087 ( 0.736 3.255 -1.413) 3.624 35.466 ( -0.753 -0.946 -1.170) 1.682 35.466 ( 1.109 -1.036 1.586) 2.195 39.219 ( 0.354 0.728 1.137) 1.396 39.234 ( 0.194 0.974 -1.260) 1.605 39.540 ( -2.210 -1.504 1.884) 3.270 39.597 ( 0.689 -2.294 -2.146) 3.216 46.854 ( -0.566 1.710 0.797) 1.970 46.876 ( 0.669 1.758 -0.753) 2.026 47.418 ( -0.653 -2.595 0.855) 2.809 47.444 ( 0.812 -2.354 -0.934) 2.660 64.028 ( -1.488 16.684 6.902) 18.117 64.217 ( 6.636 23.899 -9.746) 26.649 66.785 ( -7.694 -10.394 6.906) 14.660 66.941 ( -1.662 -5.160 -8.343) 9.950 85.216 ( -0.733 0.358 1.734) 1.916 85.255 ( -0.050 0.395 -2.861) 2.889 85.628 ( -6.588 -1.601 2.798) 7.335 85.780 ( 5.463 -2.906 -1.929) 6.482 87.309 ( -0.436 0.805 0.564) 1.075 87.323 ( -1.303 1.342 -2.512) 3.132 87.924 ( -16.521 -7.990 12.833) 22.393 88.440 ( 15.646 -16.341 -15.712) 27.545 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -18.464 6.681 9.178) 21.674 1.474 ( -14.199 9.298 20.526) 26.634 1.934 ( 3.241 12.803 -13.009) 18.538 2.404 ( -8.700 14.347 -5.658) 17.707 2.453 ( 10.537 9.164 -5.317) 14.942 2.562 ( -9.712 6.524 -7.702) 14.008 2.748 ( 12.017 6.316 6.611) 15.100 2.985 ( 8.742 12.636 12.459) 19.782 3.209 ( -5.633 -2.503 -2.998) 6.854 3.276 ( 17.774 -9.480 -4.925) 20.738 3.458 ( 1.304 6.829 1.219) 7.059 3.536 ( 0.614 -2.376 2.351) 3.398 3.607 ( 3.332 0.678 -5.153) 6.174 3.672 ( 11.186 4.319 4.858) 12.937 3.839 ( 11.212 0.936 4.403) 12.082 3.923 ( 4.476 0.502 -4.603) 6.440 4.054 ( -4.428 -1.033 -1.904) 4.929 4.158 ( 4.009 5.131 -0.138) 6.512 4.268 ( -1.117 -2.145 9.802) 10.096 4.349 ( -1.624 -0.911 -7.938) 8.154 4.553 ( 0.436 1.579 1.249) 2.060 4.676 ( 0.712 -3.759 4.850) 6.177 4.734 ( 1.353 -1.112 -6.629) 6.857 4.888 ( -10.592 -0.008 1.367) 10.680 4.960 ( -2.424 -1.577 -5.981) 6.643 5.051 ( -6.114 -4.739 1.295) 7.843 5.105 ( -0.274 -1.838 -3.504) 3.967 5.263 ( 4.881 4.229 3.225) 7.219 5.295 ( 4.008 6.003 0.052) 7.218 5.363 ( -4.641 -2.540 -2.019) 5.663 5.452 ( 1.633 4.997 -2.322) 5.747 5.565 ( -5.639 6.185 1.564) 8.515 5.614 ( 0.629 1.464 -1.758) 2.372 5.645 ( 1.445 1.812 2.590) 3.475 5.738 ( -4.719 -2.365 -1.905) 5.612 5.835 ( -3.303 -0.505 0.482) 3.376 5.949 ( -0.876 0.449 0.889) 1.326 6.023 ( -1.866 -2.361 0.131) 3.012 6.097 ( 1.886 0.854 1.423) 2.512 6.213 ( -2.402 -0.230 -0.485) 2.462 6.274 ( 0.522 0.719 -0.869) 1.243 6.304 ( -8.030 0.378 0.721) 8.071 6.361 ( -4.051 1.541 1.263) 4.514 6.386 ( 3.464 -1.946 1.193) 4.148 6.409 ( -2.121 0.752 0.714) 2.361 6.490 ( 2.352 6.940 3.749) 8.231 6.564 ( 5.015 1.657 -2.587) 5.881 6.627 ( -3.470 -1.725 -5.334) 6.593 6.721 ( 2.293 0.892 0.189) 2.468 6.783 ( -2.786 0.262 4.679) 5.452 6.911 ( -0.168 3.438 1.195) 3.643 6.995 ( 2.493 -4.349 0.194) 5.016 7.100 ( 2.526 -2.994 -3.363) 5.162 7.192 ( -0.464 -3.067 -1.432) 3.417 7.328 ( 0.050 1.442 -3.853) 4.114 7.443 ( 8.671 -0.587 -1.754) 8.866 7.495 ( 1.295 -2.246 5.711) 6.272 7.552 ( 0.530 -1.997 -0.146) 2.072 7.719 ( -2.372 2.198 4.058) 5.188 7.858 ( -9.051 -2.971 -2.390) 9.822 8.022 ( 0.153 2.063 -4.108) 4.600 8.104 ( -4.723 0.559 0.730) 4.812 8.236 ( 5.876 -2.019 -1.691) 6.440 8.411 ( 3.251 2.046 -4.028) 5.566 8.508 ( -3.386 -4.761 0.122) 5.843 8.574 ( 0.718 -2.304 1.699) 2.951 8.801 ( 7.292 -1.999 6.192) 9.772 8.915 ( 11.859 -2.459 7.445) 14.217 9.005 ( -9.572 -2.348 -3.753) 10.547 9.207 ( -4.761 0.490 3.872) 6.156 9.408 ( -0.101 -0.355 -2.991) 3.013 9.471 ( -2.768 -0.574 -0.894) 2.965 10.864 ( 0.970 3.369 0.724) 3.580 10.992 ( -7.100 0.842 -1.943) 7.409 11.069 ( -8.041 -0.407 -0.317) 8.057 11.189 ( 6.879 4.435 -0.275) 8.189 11.261 ( 3.375 -1.887 1.463) 4.134 11.453 ( 4.346 3.755 4.222) 7.128 11.493 ( 3.626 -1.212 0.760) 3.898 11.568 ( 2.981 0.969 -5.071) 5.961 13.756 ( -3.801 -8.506 1.033) 9.374 13.837 ( -2.974 -4.013 -2.536) 5.602 13.933 ( -3.110 -2.118 -5.917) 7.012 14.052 ( 1.681 0.371 4.524) 4.841 14.090 ( -5.812 3.957 0.813) 7.078 14.342 ( 5.312 1.097 0.962) 5.508 14.489 ( -7.381 -3.142 -1.645) 8.189 14.584 ( -3.520 1.202 1.496) 4.009 14.602 ( -2.305 -0.170 -5.350) 5.828 14.871 ( 5.953 1.228 0.689) 6.117 15.432 ( -3.019 -6.596 -4.952) 8.783 15.503 ( -2.637 -11.229 1.304) 11.609 22.661 ( -4.770 3.124 0.783) 5.756 22.719 ( -3.974 0.564 -2.162) 4.559 23.263 ( 3.375 -3.708 0.791) 5.076 23.290 ( 4.274 -3.369 -0.758) 5.495 23.801 ( 1.143 10.218 1.559) 10.399 23.878 ( 3.689 13.664 -3.063) 14.481 25.570 ( -1.567 -7.598 -0.071) 7.758 25.793 ( 0.400 -12.711 1.637) 12.823 25.892 ( -5.385 -0.188 -0.044) 5.389 26.170 ( -0.887 -7.372 -0.285) 7.431 26.446 ( -4.772 1.925 0.050) 5.146 26.570 ( -7.619 -11.381 -4.030) 14.276 27.093 ( -1.177 0.949 2.062) 2.557 27.141 ( -0.423 1.418 -0.060) 1.481 27.351 ( -10.094 4.931 -12.385) 16.720 27.604 ( -4.210 -6.039 4.372) 8.562 28.160 ( 1.514 -0.243 3.542) 3.860 28.248 ( 1.473 2.073 -1.919) 3.186 28.504 ( 1.770 1.686 3.202) 4.029 28.684 ( -2.845 0.920 -1.104) 3.187 28.827 ( 10.112 2.278 1.104) 10.424 28.897 ( 8.289 6.893 -1.219) 10.849 29.377 ( -5.437 1.191 6.298) 8.406 29.702 ( 3.165 -0.837 1.436) 3.575 32.002 ( 1.105 -0.616 0.971) 1.595 32.012 ( 0.332 -0.955 0.420) 1.095 32.056 ( 0.961 0.949 0.301) 1.384 32.075 ( 0.257 0.367 -1.933) 1.985 35.054 ( -0.280 2.768 1.016) 2.962 35.095 ( 0.786 3.734 -1.364) 4.052 35.453 ( 0.073 -0.863 -1.247) 1.518 35.496 ( 1.268 -1.647 1.470) 2.546 39.233 ( 0.537 0.610 0.945) 1.246 39.237 ( 0.808 0.805 -1.061) 1.558 39.496 ( -3.301 -1.025 1.211) 3.662 39.577 ( -1.710 -2.918 -2.585) 4.257 46.848 ( -0.413 1.739 0.801) 1.958 46.884 ( 0.472 1.497 -0.949) 1.834 47.413 ( -0.419 -2.471 1.086) 2.732 47.455 ( 0.934 -2.130 -1.259) 2.645 64.054 ( 1.919 18.094 4.507) 18.745 64.336 ( 12.025 28.851 -11.782) 33.403 66.417 ( -20.386 -5.546 -9.341) 23.100 67.020 ( -3.199 -4.776 17.374) 18.300 85.204 ( -1.257 0.297 1.444) 1.937 85.230 ( -1.078 0.421 -2.270) 2.548 85.518 ( -5.957 -1.345 1.000) 6.188 85.843 ( 2.078 -5.502 -2.825) 6.525 87.278 ( -2.140 0.985 -1.986) 3.081 87.293 ( -1.512 1.776 1.467) 2.755 87.659 ( -16.173 -5.003 6.199) 18.029 88.486 ( -2.084 -19.428 -25.336) 31.995 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -0.271 15.878 20.311) 25.782 1.353 ( -9.505 15.513 21.876) 28.453 1.966 ( 4.399 12.218 -17.731) 21.978 2.135 ( -8.723 8.988 -20.294) 23.848 2.337 ( -15.704 25.562 22.120) 37.274 2.551 ( 5.856 8.424 -1.910) 10.435 3.007 ( 9.765 4.508 -2.744) 11.100 3.077 ( -6.456 3.266 -5.390) 9.023 3.185 ( 1.935 11.314 -2.196) 11.687 3.326 ( 3.060 10.221 1.549) 10.781 3.538 ( 1.934 -4.986 -0.579) 5.379 3.660 ( 8.221 -4.446 4.270) 10.276 3.764 ( 11.938 -5.817 -3.827) 13.820 3.892 ( -2.458 -4.118 -7.172) 8.628 3.921 ( 10.524 1.720 2.833) 11.034 3.999 ( 9.079 0.662 -6.125) 10.971 4.145 ( 3.628 -3.162 2.878) 5.608 4.201 ( 0.809 4.665 0.603) 4.772 4.260 ( -2.013 0.079 5.065) 5.451 4.311 ( 1.563 0.025 1.954) 2.502 4.494 ( 2.500 -5.749 -1.792) 6.520 4.646 ( -5.257 -0.681 2.433) 5.833 4.712 ( -3.346 2.231 5.719) 6.991 4.795 ( -1.455 0.535 -1.729) 2.323 4.955 ( 1.126 -2.904 -2.345) 3.899 4.994 ( 0.888 -9.037 0.940) 9.129 5.139 ( -4.054 -3.595 5.351) 7.615 5.185 ( 0.661 -4.198 -4.997) 6.560 5.346 ( -0.753 1.670 -2.328) 2.963 5.382 ( 1.774 1.192 -1.837) 2.818 5.472 ( 2.369 9.089 3.531) 10.035 5.491 ( -8.084 -1.133 -4.676) 9.407 5.580 ( -6.180 2.362 0.932) 6.681 5.619 ( -0.689 -2.323 -1.817) 3.029 5.675 ( 7.148 9.005 -1.290) 11.570 5.873 ( 3.138 1.630 2.036) 4.080 5.923 ( -4.108 -2.271 0.816) 4.764 6.042 ( 0.391 -2.935 0.795) 3.065 6.074 ( -7.329 -0.966 1.609) 7.566 6.147 ( -1.508 1.442 -1.189) 2.401 6.189 ( 1.494 -2.644 1.650) 3.456 6.274 ( -2.960 1.909 -0.642) 3.581 6.306 ( -2.423 1.218 0.134) 2.715 6.383 ( 3.044 5.768 -0.733) 6.563 6.429 ( -0.292 -0.395 -0.456) 0.670 6.554 ( 0.032 -4.595 -1.607) 4.868 6.576 ( 1.009 7.953 4.586) 9.236 6.591 ( -0.961 1.516 -0.900) 2.008 6.696 ( -1.976 2.822 1.072) 3.608 6.779 ( -0.010 1.672 0.528) 1.753 6.937 ( -2.982 -1.889 -2.262) 4.193 6.974 ( 0.986 0.218 -0.655) 1.204 7.044 ( -3.730 -2.489 -10.480) 11.399 7.210 ( -2.816 -1.773 -2.039) 3.903 7.335 ( 7.162 -0.550 -1.650) 7.370 7.468 ( 1.516 -2.551 -2.981) 4.206 7.526 ( 0.542 -0.963 1.824) 2.132 7.626 ( 1.403 2.381 4.885) 5.612 7.683 ( -5.648 -0.634 -1.721) 5.938 7.823 ( 2.698 -6.469 6.339) 9.450 7.894 ( -5.271 2.061 1.068) 5.760 8.252 ( 6.446 -0.835 0.876) 6.558 8.277 ( 6.672 -1.401 0.170) 6.820 8.412 ( -4.089 -2.052 -1.087) 4.702 8.525 ( 8.024 -1.505 -1.070) 8.233 8.613 ( 1.268 -0.396 3.217) 3.480 8.739 ( -10.965 -2.483 -9.512) 14.727 8.867 ( -4.726 -3.758 7.304) 9.477 9.158 ( 2.165 -2.966 1.777) 4.079 9.205 ( 6.237 -0.246 11.223) 12.842 9.369 ( -4.683 -0.840 -3.564) 5.944 9.414 ( 0.996 -0.487 -1.434) 1.813 10.829 ( -5.553 0.330 -0.305) 5.571 10.916 ( -5.679 0.199 -0.692) 5.724 10.936 ( 1.422 4.061 1.282) 4.490 11.239 ( -2.122 -0.317 -3.450) 4.062 11.358 ( 5.398 -2.803 2.537) 6.590 11.525 ( 5.739 6.294 -4.027) 9.422 11.556 ( 1.690 0.159 -2.386) 2.928 11.667 ( 6.666 8.345 2.361) 10.938 13.667 ( -5.284 -5.733 -1.435) 7.928 13.782 ( -0.077 -0.401 -3.918) 3.939 13.841 ( -4.728 -2.147 -1.144) 5.317 13.950 ( -9.526 2.772 -0.583) 9.938 14.090 ( 0.604 0.765 3.760) 3.885 14.309 ( -7.675 0.045 -5.061) 9.194 14.439 ( 2.713 0.238 1.192) 2.973 14.522 ( -3.115 1.991 0.176) 3.701 14.606 ( 3.529 -2.159 4.585) 6.176 14.952 ( 2.196 0.447 -3.037) 3.775 15.347 ( -3.003 -5.319 -3.980) 7.291 15.420 ( -6.069 -5.847 1.380) 8.540 22.583 ( -3.473 2.968 0.080) 4.569 22.620 ( -5.229 0.780 -1.522) 5.502 23.328 ( 2.993 -4.512 0.759) 5.468 23.362 ( 3.376 -4.068 -0.751) 5.340 23.836 ( 1.363 10.152 2.010) 10.439 23.924 ( 3.102 14.710 -5.218) 15.914 25.593 ( 2.939 -7.164 0.369) 7.752 25.716 ( -2.188 -4.449 0.951) 5.048 25.843 ( -7.919 -8.890 0.978) 11.945 26.111 ( -8.710 -7.631 -2.957) 11.951 26.254 ( -6.865 0.671 -5.820) 9.025 26.427 ( -4.966 -4.067 0.951) 6.489 27.072 ( -2.359 0.226 4.158) 4.786 27.110 ( -0.936 0.444 -0.991) 1.434 27.266 ( 3.744 7.534 -2.825) 8.875 27.506 ( -7.204 -4.210 1.891) 8.556 28.225 ( 2.708 0.188 3.988) 4.825 28.280 ( 2.588 2.290 -0.693) 3.524 28.517 ( -0.981 -0.590 0.046) 1.146 28.612 ( -3.684 -0.120 -2.060) 4.223 28.956 ( 6.940 -0.487 0.053) 6.957 29.129 ( 6.770 7.734 -0.555) 10.293 29.386 ( 8.312 -0.257 6.684) 10.669 29.731 ( -1.973 -1.699 3.235) 4.152 32.012 ( -0.238 -0.738 1.152) 1.389 32.031 ( 0.921 -1.184 -0.023) 1.500 32.074 ( 0.634 0.995 -0.927) 1.500 32.078 ( 1.145 1.118 -0.221) 1.616 35.057 ( 0.051 3.147 1.073) 3.326 35.099 ( 0.535 4.189 -1.906) 4.633 35.460 ( 1.290 -1.000 -0.868) 1.849 35.516 ( -0.136 -2.422 0.423) 2.463 39.245 ( 0.300 0.525 0.736) 0.952 39.251 ( 1.110 0.638 -0.838) 1.531 39.443 ( -2.492 -0.613 0.557) 2.627 39.509 ( -4.147 -2.524 -2.219) 5.338 46.847 ( -0.191 1.712 0.895) 1.941 46.882 ( -0.114 1.374 -1.204) 1.830 47.415 ( -0.022 -2.381 1.554) 2.843 47.464 ( 0.775 -1.852 -1.897) 2.762 64.155 ( 6.092 20.243 4.580) 21.630 64.506 ( 12.044 34.738 -20.114) 41.909 66.155 ( 0.835 1.123 4.822) 5.021 66.903 ( -19.431 -3.292 16.883) 25.951 85.188 ( -1.103 0.231 1.045) 1.537 85.203 ( -0.674 0.461 -1.475) 1.686 85.448 ( -0.839 -1.584 -0.519) 1.866 85.788 ( -7.528 -9.424 -4.522) 12.882 87.238 ( -0.612 1.405 -1.820) 2.379 87.280 ( -1.028 3.117 2.607) 4.191 87.436 ( -9.170 -3.091 1.961) 9.874 88.076 ( -26.113 -8.452 -25.491) 37.458 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.205 18.951 17.392) 25.723 1.875 ( 1.265 25.974 14.615) 29.830 2.089 ( 0.974 10.604 -22.116) 24.546 2.186 ( -2.935 20.047 -17.891) 27.030 2.843 ( 4.845 7.540 3.130) 9.493 2.938 ( -9.829 5.962 -6.990) 13.454 3.122 ( 3.856 27.727 12.740) 30.756 3.278 ( -3.810 10.618 -2.183) 11.490 3.368 ( -2.456 -1.186 4.335) 5.122 3.435 ( 5.885 -4.408 -3.310) 8.064 3.542 ( -0.097 6.295 10.179) 11.968 3.741 ( 1.559 5.212 -2.460) 5.971 3.807 ( -1.133 -1.055 1.807) 2.380 3.876 ( 1.196 1.182 -0.234) 1.698 3.963 ( 3.872 -2.736 -1.211) 4.893 4.014 ( -1.787 2.080 -3.422) 4.385 4.160 ( 3.288 0.210 3.062) 4.498 4.246 ( -3.094 2.486 -6.192) 7.355 4.353 ( -4.987 4.555 6.337) 9.261 4.393 ( -2.798 3.696 2.019) 5.056 4.512 ( 2.152 -0.734 -3.983) 4.587 4.532 ( 7.517 -4.737 -6.176) 10.821 4.661 ( -4.668 -3.836 8.776) 10.654 4.736 ( 5.026 -2.270 3.331) 6.442 4.832 ( -1.992 -3.373 0.435) 3.942 4.948 ( 2.252 -4.113 -6.399) 7.933 5.055 ( 2.322 -5.539 10.029) 11.690 5.149 ( -1.685 0.684 -1.046) 2.098 5.171 ( -3.101 -2.091 -4.639) 5.960 5.260 ( -1.491 -3.747 -8.564) 9.466 5.435 ( 0.516 -1.560 2.691) 3.153 5.505 ( -0.455 -1.278 -4.478) 4.679 5.631 ( 1.999 0.978 3.102) 3.818 5.680 ( -3.952 0.299 -1.982) 4.431 5.754 ( -2.016 -0.327 2.255) 3.043 5.830 ( 6.022 -0.134 -4.166) 7.323 5.959 ( -6.419 2.611 3.449) 7.740 5.997 ( 6.774 3.375 -1.001) 7.634 6.128 ( 1.763 3.424 2.186) 4.429 6.142 ( -2.652 2.467 0.176) 3.627 6.258 ( 1.108 -1.328 1.427) 2.243 6.319 ( -2.872 1.276 -3.443) 4.661 6.354 ( -0.572 3.867 5.729) 6.936 6.382 ( 2.455 1.248 2.307) 3.592 6.431 ( -3.070 1.789 0.855) 3.654 6.514 ( 2.740 -1.708 -5.692) 6.544 6.592 ( -3.999 0.042 0.899) 4.099 6.639 ( 0.104 1.865 -3.611) 4.065 6.789 ( 3.306 1.322 1.430) 3.837 6.832 ( -0.517 1.824 -1.164) 2.224 6.861 ( -3.025 0.978 -1.306) 3.437 6.884 ( -3.908 1.245 -5.154) 6.587 7.032 ( 4.654 -1.198 0.377) 4.821 7.076 ( -2.444 -1.438 -3.779) 4.724 7.380 ( -2.546 -5.319 5.077) 7.782 7.432 ( 4.279 -5.342 -0.600) 6.870 7.543 ( -0.109 1.777 1.020) 2.052 7.573 ( -3.288 2.844 -2.694) 5.115 7.732 ( 4.925 0.102 2.309) 5.440 7.777 ( 0.409 0.876 -1.816) 2.057 8.018 ( 3.634 1.772 3.438) 5.306 8.087 ( -4.364 -0.788 -3.844) 5.869 8.315 ( 2.589 -3.978 3.413) 5.846 8.368 ( -3.499 -4.396 -1.335) 5.775 8.504 ( -1.216 -1.786 4.631) 5.110 8.604 ( 3.926 -3.525 -4.874) 7.183 8.705 ( -7.119 -0.516 2.905) 7.706 8.747 ( 7.779 -1.458 -1.848) 8.127 9.113 ( -0.770 -5.607 5.523) 7.908 9.202 ( -2.965 -4.731 -2.725) 6.213 9.280 ( -0.039 -3.199 5.781) 6.607 9.372 ( 3.443 -3.170 -4.050) 6.189 10.860 ( 2.383 3.767 1.044) 4.578 10.882 ( -1.819 2.877 -1.246) 3.624 11.082 ( 2.420 3.622 2.220) 4.890 11.139 ( -3.901 1.867 -3.729) 5.710 11.362 ( 1.635 -4.206 4.458) 6.343 11.444 ( -1.920 -3.533 -4.119) 5.757 11.715 ( -3.893 2.553 6.092) 7.668 11.845 ( 3.669 0.654 -7.770) 8.618 13.712 ( 5.536 1.114 0.921) 5.722 13.724 ( -3.372 -0.165 -0.372) 3.397 13.810 ( 4.840 0.204 -1.340) 5.026 13.816 ( -7.003 1.526 -1.523) 7.327 14.175 ( 0.467 3.206 1.964) 3.789 14.209 ( -0.408 1.408 -1.410) 2.034 14.516 ( 0.218 1.138 1.265) 1.716 14.542 ( 0.970 3.105 -1.649) 3.647 14.666 ( 3.080 -2.604 7.543) 8.553 14.808 ( -4.271 -4.009 -7.178) 9.264 15.239 ( -2.935 -3.782 4.025) 6.254 15.296 ( 3.167 -4.675 -2.063) 6.012 22.628 ( -1.129 4.983 0.337) 5.120 22.635 ( 1.042 5.104 -0.427) 5.227 23.237 ( -0.432 -7.094 1.093) 7.191 23.258 ( 0.352 -7.280 -1.137) 7.377 24.143 ( 0.065 15.369 4.210) 15.935 24.245 ( -0.156 15.353 -6.778) 16.784 25.429 ( -3.178 -12.219 4.613) 13.442 25.480 ( 3.619 -11.633 -1.107) 12.233 25.751 ( 2.132 -1.127 1.693) 2.946 25.809 ( -4.881 -2.585 -4.697) 7.250 26.216 ( 1.263 -4.452 2.816) 5.418 26.269 ( -0.173 -5.140 -2.909) 5.909 27.065 ( -0.987 0.931 2.282) 2.654 27.107 ( 0.936 0.160 -2.294) 2.483 27.350 ( -3.585 -1.711 2.558) 4.725 27.395 ( 4.325 -1.316 -2.364) 5.102 28.315 ( 0.018 2.362 5.967) 6.417 28.384 ( 1.794 3.108 0.213) 3.594 28.508 ( -0.179 1.412 -2.148) 2.576 28.530 ( -1.936 0.423 -6.026) 6.344 29.109 ( 1.921 3.435 4.510) 5.986 29.172 ( -1.930 3.050 -2.230) 4.243 29.586 ( -6.809 -3.242 0.851) 7.589 29.601 ( 9.223 -3.735 -0.711) 9.976 32.000 ( -0.335 -0.524 1.110) 1.272 32.013 ( -0.111 -0.908 -0.199) 0.936 32.103 ( 0.253 0.819 -0.216) 0.884 32.111 ( 0.306 0.868 -0.928) 1.307 35.146 ( -0.458 4.254 1.772) 4.632 35.189 ( 0.792 3.960 -2.932) 4.990 35.439 ( -1.638 -2.394 0.808) 3.011 35.447 ( 1.079 -2.425 -0.112) 2.657 39.261 ( -0.743 0.837 1.036) 1.525 39.283 ( 0.970 0.965 -1.337) 1.914 39.407 ( -0.254 -0.983 0.902) 1.358 39.421 ( -0.248 -0.851 -0.526) 1.031 46.902 ( -0.115 3.299 1.190) 3.509 46.926 ( 0.071 3.515 -1.282) 3.743 47.351 ( -0.136 -4.464 2.119) 4.943 47.393 ( 0.097 -4.485 -2.331) 5.055 64.745 ( -2.434 22.357 12.224) 25.596 65.060 ( 0.805 20.655 -22.015) 30.199 66.476 ( -19.246 -2.211 5.233) 20.067 66.564 ( 26.181 -3.701 -3.490) 26.671 85.183 ( -0.498 0.303 0.897) 1.070 85.205 ( 0.901 0.255 -1.525) 1.789 85.419 ( -6.467 -4.755 1.530) 8.171 85.431 ( 4.004 -4.265 0.238) 5.855 87.274 ( -1.554 1.861 1.788) 3.013 87.311 ( 2.125 2.649 -2.021) 3.952 87.457 ( 5.716 0.949 8.076) 9.940 87.639 ( -8.772 0.861 -11.464) 14.461 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -6.256 17.237 2.408) 18.494 1.881 ( 2.064 18.649 11.728) 22.127 2.108 ( 4.796 17.924 -14.490) 23.542 2.149 ( 3.911 18.451 -0.630) 18.872 2.665 ( -13.907 8.920 -1.468) 16.587 2.920 ( -0.701 4.698 6.293) 7.884 3.165 ( -6.563 6.652 5.727) 10.960 3.239 ( -3.664 12.855 -2.932) 13.684 3.347 ( 1.544 -8.932 3.100) 9.580 3.498 ( -2.100 -0.994 3.366) 4.090 3.565 ( -13.754 4.599 -10.512) 17.911 3.649 ( 7.636 15.457 2.098) 17.368 3.752 ( -1.096 1.977 1.759) 2.864 3.831 ( -10.220 -0.234 -3.381) 10.767 3.918 ( -1.478 6.055 -4.132) 7.478 4.002 ( -12.913 -0.057 -1.195) 12.969 4.111 ( 6.352 -5.690 -0.438) 8.539 4.169 ( -6.301 2.469 0.699) 6.803 4.265 ( -1.523 2.425 3.199) 4.294 4.360 ( 3.804 -0.981 1.666) 4.267 4.503 ( -1.111 9.114 1.246) 9.265 4.689 ( 6.365 -4.592 -1.093) 7.924 4.756 ( 0.486 0.575 1.105) 1.337 4.837 ( 6.986 -0.234 1.188) 7.090 4.861 ( 6.544 -4.925 -1.263) 8.287 4.886 ( -0.464 -0.873 -5.255) 5.347 5.051 ( -1.914 0.477 -2.883) 3.493 5.198 ( 2.025 -4.466 5.811) 7.603 5.235 ( 8.116 -4.825 -7.300) 11.935 5.271 ( 2.969 0.625 5.991) 6.715 5.421 ( 2.993 0.870 1.940) 3.671 5.543 ( -1.748 -6.978 -3.069) 7.821 5.613 ( 0.496 -1.251 -1.556) 2.057 5.664 ( 3.727 2.712 0.082) 4.610 5.785 ( 0.889 5.195 -1.885) 5.598 5.843 ( -3.628 2.390 2.477) 5.002 5.971 ( 5.481 -1.331 -0.937) 5.717 6.058 ( 0.848 1.554 1.806) 2.529 6.117 ( -0.903 4.824 -1.060) 5.021 6.147 ( 1.071 0.578 0.013) 1.217 6.195 ( -3.492 1.658 3.688) 5.343 6.306 ( -1.402 5.262 0.010) 5.445 6.379 ( 2.508 -3.498 -1.846) 4.683 6.384 ( -0.617 2.373 4.206) 4.868 6.429 ( -0.891 1.758 -1.247) 2.333 6.474 ( -2.258 0.435 0.733) 2.413 6.596 ( 1.570 2.816 2.638) 4.166 6.696 ( 3.727 -2.611 -0.640) 4.596 6.783 ( -1.677 1.192 -2.863) 3.525 6.797 ( -0.798 -2.581 1.973) 3.345 6.862 ( 0.669 3.081 0.163) 3.157 6.939 ( 8.803 0.559 2.430) 9.149 7.027 ( 0.440 1.526 -3.577) 3.913 7.129 ( 3.313 -1.968 -0.096) 3.855 7.267 ( -8.545 -2.711 2.251) 9.243 7.398 ( -5.854 -1.110 -0.702) 5.999 7.525 ( 0.621 -0.681 1.258) 1.559 7.640 ( 5.736 -0.177 0.332) 5.749 7.748 ( -1.927 -1.043 -6.153) 6.531 7.828 ( 4.592 0.281 -1.944) 4.995 7.959 ( -3.941 1.235 -0.117) 4.132 8.144 ( 3.952 -2.447 1.308) 4.829 8.262 ( -7.288 -3.527 -0.387) 8.106 8.372 ( 0.639 -0.305 1.161) 1.360 8.497 ( -5.432 -5.023 -2.340) 7.760 8.533 ( -0.410 -2.096 3.858) 4.410 8.662 ( -0.325 -1.275 -1.106) 1.718 8.865 ( 3.812 -3.636 -2.057) 5.655 9.101 ( -4.136 -4.187 2.776) 6.507 9.191 ( 2.882 -1.441 5.965) 6.780 9.273 ( 1.652 -8.778 -5.760) 10.629 9.471 ( 6.438 0.460 -2.385) 6.881 10.865 ( 1.008 2.898 -0.952) 3.212 10.934 ( 3.607 1.357 -0.654) 3.909 11.052 ( -1.669 4.807 -0.403) 5.104 11.164 ( 2.780 -0.012 2.784) 3.935 11.359 ( -2.817 -2.886 -0.588) 4.076 11.410 ( -0.870 -2.421 2.702) 3.730 11.554 ( -10.870 1.700 2.992) 11.402 11.897 ( 0.922 3.288 -4.772) 5.868 13.609 ( -3.307 -0.521 -1.462) 3.653 13.721 ( -2.619 0.239 2.118) 3.376 13.783 ( -0.015 -2.638 -0.858) 2.774 13.983 ( 10.604 -0.386 0.136) 10.612 14.165 ( 0.063 1.729 -1.227) 2.122 14.270 ( 4.931 2.058 0.979) 5.432 14.500 ( -1.975 1.601 -1.311) 2.861 14.570 ( 1.631 0.001 -2.094) 2.654 14.658 ( -2.258 1.124 -1.004) 2.715 14.803 ( 2.454 -4.550 3.811) 6.422 15.194 ( -2.962 -3.473 3.141) 5.541 15.340 ( 2.139 -6.729 -2.476) 7.482 22.643 ( 2.436 4.077 0.613) 4.788 22.693 ( 4.951 5.417 -0.605) 7.364 23.210 ( -2.586 -7.113 0.706) 7.601 23.248 ( -1.053 -5.635 -0.586) 5.763 24.145 ( -2.150 15.303 3.912) 15.941 24.191 ( -1.909 15.749 -4.767) 16.565 25.389 ( -2.550 -10.501 2.083) 11.005 25.532 ( 1.723 -15.399 -1.980) 15.621 25.782 ( 4.152 -0.157 0.013) 4.155 25.868 ( 6.921 -4.963 3.543) 9.224 26.191 ( -0.770 -3.021 0.310) 3.133 26.354 ( 7.227 -6.061 -1.757) 9.594 27.073 ( 0.459 0.021 2.097) 2.147 27.134 ( 3.016 0.310 -1.659) 3.457 27.305 ( -2.237 0.611 1.298) 2.658 27.472 ( 5.095 -4.239 -2.816) 7.202 28.294 ( -3.577 2.065 3.006) 5.109 28.350 ( -3.617 2.363 -3.832) 5.775 28.525 ( 3.134 3.019 1.418) 4.577 28.574 ( 5.601 -0.283 -0.881) 5.676 28.992 ( -8.368 2.755 -0.483) 8.823 29.246 ( -0.659 6.204 1.365) 6.387 29.415 ( -5.382 -4.263 -3.089) 7.529 29.719 ( 2.321 -3.419 -0.747) 4.199 31.995 ( -0.695 -0.556 0.991) 1.332 32.005 ( -0.823 -0.834 0.394) 1.236 32.096 ( -0.771 0.813 -0.675) 1.308 32.105 ( -0.312 0.655 -1.046) 1.272 35.141 ( -0.807 4.279 1.445) 4.588 35.186 ( 0.260 4.012 -2.361) 4.662 35.414 ( -1.268 -1.534 1.030) 2.241 35.464 ( 0.493 -2.808 0.122) 2.854 39.248 ( -1.024 1.007 0.946) 1.720 39.287 ( 0.192 1.243 -1.399) 1.881 39.426 ( 1.796 -1.523 1.011) 2.563 39.447 ( 2.578 -1.220 -0.186) 2.858 46.907 ( -0.055 3.202 1.251) 3.438 46.923 ( 0.259 3.600 -1.227) 3.812 47.356 ( -0.459 -4.519 2.039) 4.979 47.380 ( -0.270 -4.309 -2.041) 4.776 64.664 ( -10.066 22.582 9.981) 26.662 64.986 ( -1.543 26.138 -12.740) 29.119 66.196 ( -8.458 -0.737 1.586) 8.637 66.973 ( 17.494 -14.778 -9.939) 24.964 85.187 ( 0.496 0.443 0.913) 1.129 85.225 ( 1.971 0.356 -2.028) 2.850 85.387 ( 2.738 -2.381 1.121) 3.798 85.549 ( 6.183 -6.472 2.835) 9.389 87.264 ( 0.410 2.952 0.569) 3.034 87.408 ( 7.342 -1.295 -0.515) 7.473 87.490 ( -0.817 3.356 -10.345) 10.906 87.637 ( 7.444 -3.463 12.636) 15.069 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 1.569 13.667 -7.233) 15.543 2.024 ( 5.101 17.467 -0.096) 18.197 2.149 ( 2.594 19.170 8.789) 21.248 2.231 ( 4.793 8.706 2.357) 10.214 2.436 ( -11.793 12.002 8.929) 19.048 2.896 ( -5.281 1.193 0.666) 5.455 2.942 ( -19.464 0.607 3.197) 19.734 3.075 ( -9.904 0.849 -2.261) 10.194 3.165 ( -14.425 -4.795 -9.096) 17.714 3.432 ( -2.194 2.295 3.904) 5.032 3.459 ( -5.294 3.542 -4.419) 7.753 3.588 ( -5.558 -4.511 -3.863) 8.133 3.665 ( -4.346 2.591 1.803) 5.371 3.767 ( -2.703 -1.905 -2.281) 4.018 3.882 ( 1.073 5.647 0.154) 5.750 3.992 ( 0.089 5.565 -4.152) 6.944 4.023 ( 8.863 10.971 3.345) 14.495 4.231 ( -2.602 2.865 1.316) 4.088 4.357 ( 2.732 -1.399 0.754) 3.160 4.423 ( 9.369 -3.406 -1.145) 10.034 4.506 ( -1.017 11.731 -4.646) 12.659 4.676 ( -3.637 0.167 -0.885) 3.747 4.755 ( -2.453 0.867 -5.108) 5.732 4.846 ( 2.187 -0.024 3.673) 4.274 4.950 ( 6.823 -3.217 -0.264) 7.549 5.021 ( 5.327 2.504 0.069) 5.886 5.099 ( 9.634 4.910 -2.936) 11.205 5.254 ( -0.166 0.155 3.249) 3.257 5.312 ( 2.788 1.150 5.628) 6.385 5.346 ( 2.835 -4.007 -1.666) 5.184 5.453 ( -3.658 -1.869 -3.806) 5.600 5.589 ( 9.057 -1.426 1.520) 9.294 5.675 ( 4.103 2.195 0.887) 4.737 5.710 ( 0.122 4.990 2.312) 5.500 5.724 ( 2.521 1.314 0.126) 2.846 5.874 ( 1.129 2.572 -0.618) 2.876 6.002 ( 1.095 3.122 1.264) 3.542 6.049 ( -2.950 -0.260 -0.311) 2.978 6.093 ( -1.520 2.776 1.520) 3.511 6.201 ( 5.860 -4.652 -3.251) 8.157 6.246 ( 3.317 -0.256 4.187) 5.348 6.289 ( 0.678 5.381 -0.720) 5.471 6.336 ( -4.686 -1.364 1.435) 5.087 6.397 ( 1.696 2.557 1.446) 3.392 6.416 ( -2.006 1.061 1.198) 2.566 6.516 ( 2.347 -1.096 -0.995) 2.775 6.585 ( -2.812 6.561 5.581) 9.061 6.652 ( -6.272 -1.289 -1.100) 6.496 6.816 ( 0.908 -3.160 2.988) 4.443 6.834 ( 2.810 3.393 -3.819) 5.831 6.877 ( 2.341 -1.283 -0.453) 2.707 7.013 ( -2.089 2.015 -0.521) 2.949 7.024 ( -1.866 1.356 -1.785) 2.917 7.134 ( 0.718 -1.251 -0.408) 1.499 7.232 ( 3.153 -4.958 6.069) 8.447 7.324 ( -2.553 0.144 2.173) 3.355 7.540 ( 0.981 -0.303 -1.125) 1.523 7.624 ( -5.674 -1.019 -7.715) 9.631 7.770 ( 6.060 0.014 1.557) 6.257 7.829 ( -0.444 -0.012 -3.869) 3.895 7.988 ( 2.177 -0.711 1.432) 2.701 8.093 ( -3.007 -5.166 -2.658) 6.542 8.182 ( -3.728 -2.259 -0.365) 4.374 8.360 ( -1.515 -0.698 1.184) 2.046 8.413 ( 1.005 -3.575 1.332) 3.945 8.529 ( -3.453 -4.463 -1.619) 5.870 8.667 ( -2.792 -5.412 4.438) 7.536 8.909 ( -2.909 -3.408 -0.371) 4.496 9.004 ( 0.946 -2.471 -2.196) 3.439 9.265 ( 2.830 -3.107 4.469) 6.135 9.345 ( 6.215 0.059 -5.381) 8.221 9.546 ( 2.922 1.285 -3.713) 4.897 10.915 ( 3.682 0.899 0.593) 3.836 10.939 ( -0.043 2.241 1.901) 2.939 11.094 ( 3.415 1.972 0.246) 3.951 11.186 ( -1.061 -2.998 0.639) 3.244 11.310 ( -3.287 3.360 0.737) 4.758 11.406 ( -1.627 -0.564 5.802) 6.052 11.415 ( -4.841 -2.893 0.933) 5.716 11.796 ( -6.766 5.425 -9.468) 12.840 13.607 ( 2.508 -6.050 -1.616) 6.746 13.716 ( -0.125 -2.005 2.758) 3.412 13.774 ( -0.202 -3.282 3.631) 4.899 14.133 ( 5.220 -2.022 0.285) 5.605 14.161 ( 0.209 1.997 -3.702) 4.212 14.371 ( 3.655 -1.786 0.102) 4.070 14.427 ( -1.528 1.595 -1.748) 2.817 14.586 ( 1.617 0.952 -0.287) 1.898 14.679 ( 3.263 3.443 -2.239) 5.245 14.820 ( -3.011 -3.891 3.609) 6.102 15.180 ( -0.437 -5.798 4.263) 7.210 15.347 ( 0.237 -9.376 -2.958) 9.834 22.710 ( 3.768 2.990 1.461) 5.027 22.787 ( 5.261 5.305 -1.415) 7.604 23.161 ( -2.845 -5.878 0.866) 6.587 23.217 ( -1.914 -3.415 -0.598) 3.960 24.109 ( -2.662 14.837 1.583) 15.157 24.143 ( -1.697 16.012 -1.741) 16.196 25.355 ( -1.384 -11.578 0.723) 11.683 25.537 ( -0.266 -16.458 -2.662) 16.674 25.882 ( 5.411 -0.497 0.896) 5.508 25.989 ( 3.507 -5.359 2.737) 6.965 26.247 ( 4.873 -4.103 5.498) 8.415 26.476 ( 7.094 -7.749 -4.135) 11.290 27.096 ( 0.612 -0.052 2.500) 2.574 27.191 ( 3.231 0.249 -1.867) 3.740 27.290 ( 0.404 1.288 2.737) 3.051 27.539 ( 3.549 -6.692 -3.520) 8.352 28.240 ( -2.895 1.091 -0.022) 3.093 28.279 ( -1.917 2.608 -1.723) 3.667 28.591 ( 2.472 5.107 1.742) 5.935 28.675 ( 4.927 0.353 0.148) 4.942 28.849 ( -6.061 1.630 -1.164) 6.383 29.066 ( -12.262 4.376 -3.577) 13.502 29.451 ( 5.380 -0.285 -1.151) 5.509 29.698 ( -3.788 -0.718 0.493) 3.887 31.987 ( -1.039 -0.613 0.984) 1.557 31.989 ( -0.672 -0.665 0.766) 1.217 32.075 ( -0.971 0.816 -0.726) 1.462 32.092 ( -0.347 0.200 -1.452) 1.506 35.134 ( -0.552 4.285 1.260) 4.500 35.176 ( -0.248 4.085 -1.634) 4.407 35.407 ( -0.054 -1.307 1.012) 1.654 35.464 ( -0.368 -2.688 -0.193) 2.720 39.237 ( -0.638 1.354 1.059) 1.834 39.280 ( -0.075 1.556 -1.488) 2.154 39.470 ( 1.952 -2.422 1.554) 3.477 39.496 ( 2.697 -1.950 -0.733) 3.408 46.911 ( -0.203 3.167 1.184) 3.387 46.923 ( 0.418 3.604 -1.113) 3.795 47.354 ( -0.689 -4.569 1.554) 4.875 47.368 ( -0.007 -4.238 -1.479) 4.489 64.547 ( -7.249 24.252 9.932) 27.191 64.859 ( -4.621 29.162 -10.894) 31.472 66.210 ( 6.418 -5.451 5.127) 9.858 67.077 ( 0.850 -17.840 -12.743) 21.941 85.206 ( 0.859 0.662 1.245) 1.651 85.252 ( 1.991 0.627 -2.384) 3.168 85.490 ( 7.158 -3.022 -0.735) 7.805 85.643 ( 1.742 -6.208 3.812) 7.490 87.287 ( 1.605 2.138 0.351) 2.696 87.415 ( -0.295 2.094 -5.172) 5.588 87.632 ( 14.467 -6.310 -5.199) 16.617 87.807 ( 2.410 -9.331 15.160) 17.964 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 10.521 7.431 -1.860) 13.014 2.064 ( -5.452 7.113 -9.766) 13.255 2.149 ( 1.700 17.920 3.445) 18.327 2.234 ( -7.535 12.018 12.380) 18.827 2.401 ( -4.584 6.421 14.715) 16.696 2.672 ( -5.400 -4.877 -3.158) 7.932 2.798 ( 2.170 7.260 1.041) 7.648 2.950 ( -4.905 -0.744 0.271) 4.968 2.974 ( -0.117 -2.443 -6.773) 7.201 3.220 ( -11.272 8.134 -11.602) 18.106 3.442 ( 0.516 0.381 4.655) 4.699 3.558 ( -5.476 -3.679 2.384) 7.015 3.595 ( 3.085 -3.298 -0.645) 4.562 3.744 ( -0.947 2.017 -5.276) 5.727 3.910 ( 1.002 -1.217 7.797) 7.954 4.026 ( 4.507 7.730 -0.741) 8.978 4.138 ( -5.122 1.469 -3.961) 6.639 4.188 ( -2.944 8.522 1.303) 9.109 4.333 ( 4.793 0.858 2.394) 5.426 4.467 ( 1.402 4.596 -7.029) 8.514 4.493 ( -1.454 5.678 -3.046) 6.605 4.619 ( -5.828 0.567 -7.719) 9.689 4.783 ( 7.400 3.743 4.537) 9.453 4.919 ( 5.804 0.856 -0.329) 5.876 5.020 ( -2.995 2.666 -1.351) 4.231 5.107 ( 4.697 -5.725 0.422) 7.417 5.186 ( -7.317 0.252 -0.956) 7.384 5.237 ( 1.301 1.742 3.351) 3.995 5.373 ( 6.303 1.640 1.105) 6.606 5.416 ( 3.410 1.842 -1.369) 4.110 5.440 ( 4.017 5.602 2.143) 7.219 5.640 ( 1.531 6.243 6.516) 9.153 5.685 ( -4.482 5.986 -1.672) 7.662 5.787 ( 3.017 2.027 -1.090) 3.794 5.893 ( 11.262 2.166 1.361) 11.549 5.943 ( 6.520 0.230 0.202) 6.527 6.001 ( -3.127 -1.909 0.511) 3.699 6.038 ( -2.097 4.575 0.219) 5.038 6.057 ( 2.384 -0.450 0.265) 2.441 6.194 ( -8.663 -1.881 -1.591) 9.006 6.270 ( -2.726 -3.098 1.194) 4.296 6.284 ( 2.565 2.775 2.859) 4.738 6.317 ( 0.451 -2.532 -4.131) 4.866 6.406 ( 2.614 0.557 5.934) 6.508 6.427 ( -3.868 1.824 2.321) 4.865 6.541 ( -1.657 -0.155 2.511) 3.012 6.554 ( -1.435 0.254 -2.864) 3.213 6.565 ( 2.895 4.740 4.923) 7.422 6.753 ( -4.012 1.976 -6.496) 7.887 6.802 ( -4.945 -1.549 -3.528) 6.269 6.928 ( 1.805 -0.077 -1.169) 2.152 6.952 ( -2.552 2.022 0.427) 3.284 7.052 ( 6.122 1.288 4.744) 7.851 7.202 ( 4.653 -0.810 0.707) 4.776 7.254 ( -3.371 0.526 3.551) 4.925 7.318 ( -1.798 0.565 -0.072) 1.887 7.487 ( -4.388 1.266 -2.020) 4.994 7.556 ( 2.390 -2.007 -6.744) 7.431 7.798 ( -2.216 -2.900 1.153) 3.828 7.835 ( 1.531 -4.024 -6.181) 7.533 8.035 ( 3.020 -2.301 3.724) 5.318 8.098 ( 3.166 -5.099 -3.103) 6.756 8.185 ( 4.589 -2.600 4.576) 6.983 8.383 ( 1.356 1.521 2.468) 3.201 8.444 ( -1.115 -5.236 -0.770) 5.409 8.461 ( -0.931 -5.525 0.365) 5.615 8.577 ( -6.988 -5.983 1.772) 9.369 8.694 ( -10.457 -5.837 -5.579) 13.212 9.193 ( 11.060 1.622 3.479) 11.707 9.322 ( 0.097 -0.713 6.055) 6.098 9.389 ( 0.948 2.816 -4.840) 5.680 9.525 ( -2.415 0.414 -6.820) 7.246 10.960 ( 3.975 5.069 3.595) 7.377 11.048 ( 5.689 -1.166 5.223) 7.811 11.123 ( -0.497 -1.209 0.949) 1.615 11.158 ( -2.284 -3.347 -1.010) 4.176 11.222 ( -3.245 7.177 -2.681) 8.320 11.349 ( -4.702 -4.355 -1.822) 6.663 11.416 ( -1.095 -0.843 8.124) 8.241 11.642 ( -2.383 4.576 -11.659) 12.749 13.651 ( 3.079 -8.061 -1.723) 8.799 13.684 ( -3.359 -7.672 0.651) 8.400 13.856 ( 4.011 -1.008 8.416) 9.377 14.109 ( -2.070 -1.205 -7.571) 7.941 14.203 ( 1.687 1.423 3.262) 3.938 14.335 ( -1.433 0.657 -5.346) 5.573 14.521 ( 4.981 -1.429 5.040) 7.228 14.620 ( 2.128 -0.129 -0.757) 2.262 14.717 ( 2.088 2.933 -3.098) 4.749 14.744 ( -5.710 -1.985 1.479) 6.223 15.210 ( 0.720 -8.611 5.306) 10.139 15.328 ( -0.454 -10.713 -3.402) 11.250 22.779 ( 2.330 2.637 2.210) 4.155 22.848 ( 1.793 4.339 -2.356) 5.253 23.131 ( -0.716 -3.978 1.547) 4.328 23.179 ( -1.516 -2.156 -1.159) 2.879 24.077 ( -1.877 14.852 2.314) 15.148 24.115 ( 0.211 15.758 -2.628) 15.977 25.361 ( 1.242 -12.864 2.188) 13.108 25.487 ( -2.874 -16.242 -4.062) 16.987 25.979 ( 3.787 -1.407 1.601) 4.345 26.028 ( 0.602 -2.712 -0.031) 2.779 26.356 ( 1.891 -6.379 9.024) 11.212 26.549 ( 3.199 -8.801 -6.642) 11.481 27.117 ( 0.060 0.522 3.186) 3.229 27.204 ( 0.358 1.772 -3.848) 4.251 27.364 ( 3.881 -3.104 6.647) 8.299 27.556 ( 0.282 -7.756 -4.727) 9.087 28.208 ( -0.383 1.659 0.369) 1.743 28.250 ( -0.922 2.122 -1.312) 2.660 28.627 ( 1.318 6.726 0.747) 6.895 28.707 ( -2.251 2.963 -0.640) 3.775 28.795 ( -0.171 1.198 0.636) 1.367 28.874 ( -3.749 2.710 -5.820) 7.434 29.540 ( 4.396 0.539 -0.056) 4.429 29.611 ( -5.590 1.506 1.600) 6.007 31.973 ( -0.845 -0.330 1.413) 1.679 31.987 ( -0.028 -0.691 0.282) 0.747 32.059 ( -0.443 0.649 -0.297) 0.841 32.080 ( 0.057 -0.152 -1.824) 1.831 35.133 ( -0.457 4.197 1.561) 4.501 35.165 ( 0.170 4.157 -1.700) 4.494 35.418 ( 0.543 -1.498 1.035) 1.900 35.452 ( -0.712 -2.297 -0.595) 2.478 39.236 ( -0.156 1.582 1.247) 2.020 39.271 ( -0.091 1.749 -1.609) 2.378 39.501 ( 0.267 -2.739 2.059) 3.437 39.531 ( 1.664 -2.561 -1.509) 3.407 46.911 ( -0.430 3.229 1.092) 3.436 46.927 ( 0.531 3.572 -1.063) 3.765 47.348 ( -0.704 -4.608 1.285) 4.835 47.365 ( 0.456 -4.294 -1.223) 4.488 64.499 ( -4.153 25.146 11.966) 28.156 64.759 ( 1.211 28.705 -13.851) 31.895 66.409 ( 8.995 -10.080 12.162) 18.177 66.930 ( -7.977 -16.083 -15.176) 23.508 85.225 ( 0.241 0.837 1.587) 1.810 85.269 ( 1.205 0.677 -2.783) 3.107 85.610 ( 5.755 -3.949 -0.932) 7.042 85.648 ( -2.618 -4.295 2.874) 5.793 87.317 ( 1.126 1.340 0.696) 1.884 87.388 ( -0.406 1.551 -4.283) 4.573 87.845 ( -5.822 -11.245 13.093) 18.214 87.878 ( 14.379 -12.568 -6.339) 20.122 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -17.277 6.234 4.410) 18.889 1.924 ( -5.966 14.678 6.710) 17.207 2.211 ( 6.285 11.954 -4.762) 14.320 2.380 ( 16.463 13.298 0.297) 21.165 2.487 ( 9.436 2.604 10.447) 14.316 2.605 ( 4.400 0.400 -4.976) 6.654 2.895 ( 0.061 -3.909 0.034) 3.910 2.961 ( -7.995 9.267 -13.083) 17.916 3.002 ( 4.755 -1.853 -6.309) 8.115 3.057 ( 14.814 5.202 5.687) 16.699 3.458 ( -2.450 -2.526 5.868) 6.842 3.559 ( 4.796 -3.425 -0.110) 5.894 3.612 ( -1.421 0.269 -0.442) 1.512 3.723 ( 3.719 3.493 -5.791) 7.718 3.948 ( -3.573 7.486 8.445) 11.838 4.030 ( -1.756 4.432 -1.326) 4.948 4.065 ( -3.663 -2.657 -0.047) 4.525 4.193 ( 7.494 2.763 0.247) 7.991 4.361 ( -10.592 12.564 -0.624) 16.445 4.442 ( 0.219 1.740 4.307) 4.650 4.475 ( 0.464 -4.260 2.489) 4.956 4.489 ( -2.565 5.821 -7.027) 9.478 4.859 ( -2.871 -2.759 0.602) 4.027 4.900 ( -0.468 7.994 -2.152) 8.292 5.004 ( -6.719 -3.265 0.306) 7.477 5.114 ( 3.057 -0.094 1.225) 3.294 5.157 ( 0.380 -2.070 0.167) 2.111 5.267 ( 6.655 -2.985 -1.485) 7.443 5.410 ( -2.224 -0.877 -2.359) 3.359 5.433 ( -1.263 2.388 -1.563) 3.122 5.534 ( -7.807 7.690 -6.416) 12.699 5.596 ( 5.055 7.797 6.247) 11.197 5.723 ( 1.574 7.217 3.677) 8.251 5.775 ( -1.626 6.259 -4.734) 8.014 5.861 ( -8.388 3.701 2.580) 9.524 5.948 ( -6.243 3.269 2.555) 7.497 5.994 ( -6.986 -3.709 1.379) 8.029 6.043 ( 2.332 -0.309 -0.309) 2.373 6.054 ( -1.858 -0.970 -1.116) 2.374 6.170 ( 8.287 -6.099 1.050) 10.343 6.229 ( -0.423 -1.007 2.448) 2.681 6.316 ( 1.007 -3.922 -0.577) 4.090 6.337 ( -3.070 0.659 -2.528) 4.031 6.429 ( 5.136 5.185 3.407) 8.054 6.448 ( 1.379 1.630 0.543) 2.203 6.497 ( 1.207 0.771 2.524) 2.902 6.604 ( -6.765 1.806 -3.185) 7.692 6.630 ( 7.044 2.778 4.704) 8.914 6.702 ( 0.428 0.220 -5.679) 5.699 6.733 ( 5.188 1.983 0.859) 5.620 6.911 ( -2.431 0.423 -0.170) 2.473 6.957 ( 1.764 -0.221 0.669) 1.899 7.146 ( -5.187 4.010 -2.361) 6.968 7.220 ( 0.925 2.519 1.988) 3.340 7.249 ( 1.675 -1.315 -0.826) 2.284 7.304 ( 5.265 -0.010 1.171) 5.393 7.455 ( 0.680 0.587 3.195) 3.319 7.557 ( 0.915 -0.794 -9.100) 9.181 7.757 ( -2.986 -3.103 1.462) 4.548 7.845 ( 2.419 -6.323 -4.170) 7.952 8.030 ( -2.633 -3.713 4.084) 6.115 8.114 ( -2.440 -1.714 -4.307) 5.238 8.281 ( -8.028 -5.018 -4.582) 10.518 8.371 ( 6.336 -4.694 3.466) 8.613 8.430 ( 0.741 -5.317 4.236) 6.838 8.466 ( 1.699 -1.806 -1.490) 2.893 8.587 ( 5.476 -6.394 3.343) 9.059 8.592 ( 3.302 -2.709 -0.212) 4.276 9.254 ( -10.107 3.420 0.405) 10.677 9.307 ( -4.658 1.606 -0.084) 4.928 9.394 ( 3.514 -0.016 5.281) 6.343 9.455 ( 0.222 -1.281 -6.032) 6.170 11.022 ( -5.435 5.397 -2.003) 7.917 11.096 ( -0.853 1.254 0.766) 1.699 11.116 ( 6.643 2.867 2.789) 7.754 11.156 ( 2.168 -2.925 -0.294) 3.652 11.205 ( -6.854 -0.780 -2.375) 7.296 11.291 ( 6.911 -2.262 3.685) 8.153 11.445 ( 0.643 1.600 8.129) 8.310 11.594 ( 1.829 1.245 -10.600) 10.828 13.622 ( -3.413 -8.452 1.236) 9.199 13.701 ( 2.738 -7.481 -0.949) 8.023 13.952 ( 0.802 -1.491 6.142) 6.371 14.034 ( -0.380 -0.360 -7.421) 7.439 14.231 ( -1.388 1.948 3.040) 3.868 14.292 ( 0.157 0.948 -3.688) 3.811 14.543 ( -5.287 -3.356 2.843) 6.877 14.658 ( 1.303 -2.014 -4.329) 4.949 14.669 ( -2.570 2.761 2.146) 4.340 14.755 ( 4.773 1.192 -0.301) 4.929 15.249 ( 0.565 -10.396 5.093) 11.590 15.299 ( -0.688 -10.203 -4.172) 11.045 22.800 ( -1.611 3.668 2.297) 4.618 22.826 ( -2.335 2.771 -2.425) 4.360 23.147 ( 0.949 -2.727 0.963) 3.044 23.167 ( 1.504 -2.976 -0.978) 3.475 24.063 ( -0.754 15.085 2.204) 15.264 24.133 ( 3.160 15.416 -2.893) 16.001 25.389 ( -1.758 -13.589 1.280) 13.762 25.439 ( 1.798 -15.133 -1.196) 15.286 25.977 ( -3.978 -1.535 1.232) 4.438 26.054 ( 1.781 -2.366 -2.099) 3.630 26.395 ( -2.561 -7.327 9.527) 12.289 26.519 ( -2.524 -8.429 -7.747) 11.724 27.128 ( -0.680 1.362 3.564) 3.875 27.186 ( -0.164 1.506 -3.612) 3.917 27.449 ( 1.082 -6.760 6.409) 9.378 27.498 ( -3.411 -5.982 -6.918) 9.761 28.193 ( -1.929 2.504 1.195) 3.379 28.257 ( 2.567 2.047 -1.496) 3.608 28.613 ( -2.911 6.364 2.033) 7.287 28.722 ( 5.385 3.359 -1.870) 6.616 28.768 ( -2.012 2.011 1.678) 3.303 28.887 ( 5.753 2.523 -5.758) 8.521 29.511 ( -6.016 2.613 2.917) 7.178 29.620 ( 3.702 -0.103 0.641) 3.758 31.973 ( 0.076 -0.369 1.352) 1.403 31.990 ( 0.235 -0.665 0.115) 0.714 32.058 ( 0.454 0.613 -0.079) 0.767 32.078 ( 0.595 -0.050 -1.718) 1.819 35.131 ( -0.504 4.203 1.526) 4.500 35.168 ( 0.973 4.146 -1.750) 4.604 35.435 ( 0.445 -1.930 0.851) 2.156 35.436 ( -0.363 -1.909 -0.493) 2.005 39.243 ( 0.170 1.556 1.360) 2.073 39.263 ( 0.124 1.728 -1.609) 2.364 39.498 ( -1.554 -2.356 1.809) 3.352 39.538 ( -0.075 -3.081 -1.691) 3.516 46.907 ( -0.537 3.320 1.009) 3.512 46.932 ( 0.534 3.464 -1.059) 3.662 47.342 ( -0.636 -4.554 1.201) 4.753 47.372 ( 0.913 -4.375 -1.182) 4.623 64.501 ( -1.892 26.046 11.062) 28.361 64.783 ( 9.336 27.347 -15.394) 32.742 66.538 ( -8.583 -12.479 8.963) 17.600 66.753 ( 2.662 -12.083 -7.503) 14.470 85.228 ( -0.805 0.822 1.654) 2.015 85.266 ( -0.105 0.626 -2.790) 2.861 85.578 ( -5.573 -3.028 2.226) 6.722 85.690 ( 2.920 -5.418 -1.297) 6.290 87.331 ( -0.228 1.146 1.536) 1.930 87.353 ( -1.432 1.382 -2.998) 3.598 87.734 ( -11.351 -8.784 8.798) 16.835 88.064 ( 8.932 -17.193 -9.148) 21.426 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -5.967 14.855 8.198) 17.986 1.845 ( -6.601 22.233 12.325) 26.264 2.280 ( 5.225 18.378 -6.705) 20.249 2.475 ( -3.175 3.099 -13.775) 14.472 2.697 ( 1.093 8.130 -16.839) 18.730 2.862 ( 14.601 11.069 6.661) 19.495 2.884 ( 17.195 8.472 8.582) 21.002 3.015 ( 11.622 -7.867 -0.504) 14.043 3.122 ( 10.612 -3.449 -4.368) 11.982 3.340 ( 10.218 9.144 6.489) 15.170 3.446 ( -0.911 -4.974 3.500) 6.150 3.570 ( -0.076 1.002 -1.780) 2.044 3.693 ( 1.053 4.711 -0.030) 4.828 3.738 ( 4.010 1.634 -0.428) 4.351 3.902 ( 0.713 4.927 3.464) 6.065 3.945 ( -2.441 1.142 -5.277) 5.925 4.077 ( -8.064 5.650 1.063) 9.903 4.167 ( 4.172 -1.548 6.603) 7.963 4.336 ( -1.958 4.340 9.159) 10.323 4.396 ( -1.798 5.516 -4.000) 7.047 4.437 ( -5.865 -6.453 0.986) 8.776 4.575 ( 9.126 -4.042 4.017) 10.759 4.781 ( -1.732 6.573 -4.642) 8.231 4.863 ( -1.127 -7.961 3.822) 8.903 4.956 ( -6.310 4.606 3.037) 8.382 4.976 ( -7.033 -3.937 -4.293) 9.132 5.170 ( -12.283 7.593 -5.444) 15.433 5.291 ( -5.532 1.395 -0.562) 5.733 5.335 ( 5.641 -2.475 -1.120) 6.261 5.410 ( 1.566 2.994 -2.813) 4.396 5.486 ( 2.632 -1.725 -7.026) 7.698 5.600 ( -7.042 -0.044 -0.424) 7.055 5.684 ( -1.328 2.934 -0.246) 3.230 5.708 ( -4.617 2.390 2.179) 5.637 5.748 ( -4.418 4.266 -0.993) 6.222 5.868 ( -1.816 3.713 0.799) 4.210 5.980 ( 1.894 2.023 3.675) 4.603 6.020 ( -0.762 1.190 2.029) 2.473 6.078 ( 1.056 -1.413 2.175) 2.801 6.157 ( -4.988 -3.843 0.095) 6.297 6.267 ( -5.061 -2.191 1.700) 5.771 6.304 ( -0.610 2.229 -1.984) 3.046 6.353 ( 5.896 -0.723 0.172) 5.943 6.394 ( -4.316 0.473 1.107) 4.481 6.453 ( -0.819 3.036 -0.682) 3.218 6.535 ( 1.357 -1.408 -2.294) 3.015 6.640 ( 6.649 5.793 -0.467) 8.831 6.700 ( 2.108 2.736 -2.904) 4.513 6.766 ( -1.248 2.611 0.603) 2.956 6.799 ( 4.650 3.615 2.684) 6.472 6.896 ( 1.350 -3.934 0.063) 4.160 6.990 ( -0.457 2.140 2.025) 2.981 7.060 ( 0.260 1.528 -5.747) 5.952 7.140 ( -2.969 -1.299 -0.977) 3.385 7.349 ( 1.952 -1.176 1.698) 2.842 7.365 ( -0.128 -4.281 -4.879) 6.493 7.495 ( -2.579 -1.280 -3.626) 4.631 7.538 ( 6.065 2.075 3.360) 7.238 7.726 ( 0.069 -1.202 5.053) 5.194 7.824 ( -4.226 0.238 -3.180) 5.295 8.042 ( -3.075 -3.359 -0.813) 4.626 8.067 ( 4.937 -1.386 -2.127) 5.552 8.175 ( 0.547 -3.967 -0.116) 4.006 8.375 ( -1.257 -3.451 -0.186) 3.678 8.427 ( -2.089 -3.606 -0.151) 4.170 8.524 ( 4.482 -2.339 -1.667) 5.323 8.715 ( 5.631 -6.921 0.043) 8.922 8.813 ( 10.454 -6.415 9.730) 15.656 9.000 ( -11.428 1.229 -2.810) 11.833 9.221 ( -6.914 2.056 5.055) 8.808 9.385 ( -1.823 -2.308 -5.454) 6.196 9.465 ( -1.801 -0.290 4.419) 4.781 10.934 ( -3.356 2.640 -1.651) 4.578 11.002 ( -5.961 0.339 -3.499) 6.920 11.098 ( -2.040 3.276 -0.244) 3.867 11.193 ( 2.024 -3.578 0.046) 4.111 11.277 ( 2.960 4.432 3.122) 6.177 11.402 ( 5.034 -4.952 1.215) 7.165 11.568 ( 3.382 1.923 -3.674) 5.352 11.611 ( 9.615 3.608 3.885) 10.980 13.580 ( -1.675 -6.704 1.120) 7.001 13.737 ( 1.593 -4.865 -0.398) 5.135 13.894 ( -3.771 -1.755 -6.517) 7.731 14.066 ( 1.055 0.274 2.688) 2.900 14.170 ( -4.448 3.579 -0.659) 5.747 14.317 ( 1.293 -2.704 2.811) 4.109 14.440 ( -4.767 -1.279 -0.103) 4.937 14.619 ( -2.238 1.253 -2.801) 3.798 14.636 ( -2.366 3.525 0.805) 4.321 14.860 ( 5.187 -2.115 -0.411) 5.617 15.255 ( -1.615 -9.120 -1.805) 9.436 15.282 ( 0.251 -8.974 2.166) 9.235 22.740 ( -4.361 3.633 -1.009) 5.765 22.761 ( -4.383 3.926 0.644) 5.919 23.175 ( 2.192 -4.656 -0.266) 5.153 23.208 ( 2.448 -4.202 0.062) 4.863 24.075 ( 0.795 15.113 2.365) 15.318 24.192 ( 4.660 15.291 -3.938) 16.464 25.359 ( -0.398 -11.941 0.505) 11.958 25.486 ( 1.254 -15.645 1.961) 15.817 25.889 ( -5.434 0.016 0.173) 5.437 26.045 ( -1.197 -4.035 -2.931) 5.129 26.337 ( -8.416 -10.112 1.959) 13.301 26.410 ( -4.467 -5.099 -2.349) 7.174 27.125 ( -1.436 1.897 2.766) 3.648 27.157 ( -1.678 0.389 -2.246) 2.830 27.390 ( -3.208 -1.384 -7.116) 7.927 27.459 ( -2.863 -6.830 4.979) 8.924 28.190 ( 0.916 2.763 2.908) 4.114 28.294 ( 2.200 2.157 -1.503) 3.429 28.599 ( -0.767 5.402 1.305) 5.610 28.705 ( -2.911 1.833 -2.933) 4.521 28.833 ( 5.211 0.249 0.617) 5.253 29.044 ( 13.766 4.649 -2.133) 14.686 29.414 ( -6.268 2.419 2.891) 7.314 29.680 ( 1.698 -1.289 2.121) 3.008 31.988 ( 0.877 -0.663 0.821) 1.372 31.995 ( 0.085 -0.699 0.465) 0.844 32.075 ( 1.431 0.785 -0.454) 1.694 32.084 ( 0.790 0.451 -1.049) 1.389 35.132 ( -0.101 4.326 1.287) 4.515 35.179 ( 1.095 4.029 -1.788) 4.542 35.425 ( -0.026 -1.798 -0.860) 1.993 35.452 ( 0.463 -2.454 1.188) 2.766 39.254 ( 0.229 1.325 1.281) 1.857 39.262 ( 0.568 1.458 -1.422) 2.114 39.466 ( -2.582 -1.677 1.230) 3.315 39.511 ( -1.964 -3.095 -1.531) 3.972 46.902 ( -0.464 3.365 1.014) 3.545 46.934 ( 0.318 3.337 -1.156) 3.546 47.338 ( -0.359 -4.443 1.411) 4.675 47.385 ( 1.127 -4.436 -1.488) 4.813 64.547 ( 2.041 26.220 8.352) 27.594 64.940 ( 15.791 25.613 -17.411) 34.764 66.292 ( -13.241 -5.730 -2.330) 14.615 66.843 ( 0.395 -11.710 9.337) 14.982 85.214 ( -1.424 0.608 1.370) 2.067 85.241 ( -1.093 0.580 -2.174) 2.501 85.478 ( -5.617 -2.347 0.689) 6.127 85.693 ( -2.415 -8.124 -1.198) 8.559 87.307 ( -1.836 1.689 -1.515) 2.919 87.333 ( -0.629 1.684 2.656) 3.207 87.549 ( -11.494 -4.445 4.483) 13.113 88.082 ( -1.558 -17.019 -12.846) 21.380 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 5.971 20.586 13.221) 25.185 1.811 ( -3.289 25.718 11.885) 28.521 2.243 ( -4.833 9.924 -18.999) 21.973 2.335 ( -1.370 17.032 -13.708) 21.906 2.705 ( 7.033 8.100 -6.125) 12.352 3.040 ( 4.591 11.182 -1.277) 12.154 3.076 ( -3.160 21.151 6.866) 22.461 3.267 ( 8.848 5.954 3.191) 11.132 3.291 ( 5.476 -1.231 3.504) 6.616 3.415 ( -0.527 -5.149 1.229) 5.319 3.507 ( 4.354 8.288 7.152) 11.781 3.614 ( 7.798 -1.081 -0.047) 7.873 3.706 ( -0.610 -2.002 2.783) 3.482 3.847 ( 6.300 1.955 -4.964) 8.255 3.950 ( 4.074 0.459 -1.424) 4.340 4.014 ( 9.011 -2.308 1.490) 9.420 4.042 ( 2.259 -2.669 -0.082) 3.498 4.229 ( -0.974 3.413 2.031) 4.089 4.322 ( -0.857 -4.430 0.163) 4.515 4.374 ( 2.820 4.289 3.245) 6.073 4.378 ( 0.994 4.469 4.686) 6.551 4.673 ( -2.432 2.833 -1.261) 3.941 4.752 ( -7.103 0.229 0.982) 7.174 4.792 ( -8.693 -5.025 1.508) 10.153 4.837 ( -0.200 0.479 1.566) 1.650 4.908 ( 0.861 -1.151 -3.279) 3.580 5.030 ( -1.132 -4.784 1.893) 5.268 5.142 ( -4.833 0.722 -1.117) 5.013 5.356 ( -3.594 -3.220 -7.835) 9.201 5.386 ( -3.763 -0.109 -4.805) 6.104 5.424 ( -6.091 -3.993 0.903) 7.339 5.564 ( 3.491 -1.620 -5.222) 6.487 5.593 ( -2.700 0.005 1.261) 2.980 5.663 ( -0.822 3.377 0.053) 3.476 5.767 ( 1.575 2.151 -0.662) 2.748 5.877 ( 3.822 5.487 -0.430) 6.701 5.938 ( -9.495 -4.468 2.654) 10.823 6.010 ( -1.659 1.779 5.270) 5.805 6.098 ( 0.009 3.348 1.136) 3.535 6.147 ( 2.995 1.180 -0.804) 3.318 6.210 ( 0.600 0.430 1.022) 1.261 6.296 ( 0.659 3.095 2.088) 3.791 6.340 ( -1.631 -0.146 3.731) 4.075 6.422 ( 0.492 0.078 -0.228) 0.547 6.459 ( -0.891 0.742 -4.469) 4.617 6.517 ( 1.432 1.954 -4.013) 4.687 6.628 ( -5.112 1.601 -0.137) 5.359 6.717 ( -0.952 4.361 -2.147) 4.954 6.770 ( 2.972 2.363 -1.941) 4.264 6.851 ( -3.565 1.299 -2.059) 4.317 6.882 ( 1.420 -0.250 -0.905) 1.702 6.975 ( 0.131 0.918 0.509) 1.058 7.019 ( -4.739 -0.232 -5.930) 7.594 7.136 ( 0.088 -4.721 -0.782) 4.787 7.322 ( 2.231 -3.878 -3.443) 5.645 7.375 ( 0.986 -2.432 2.945) 3.944 7.490 ( 3.110 -1.807 3.129) 4.768 7.641 ( -1.156 -1.103 0.128) 1.603 7.708 ( 1.352 4.412 -0.881) 4.698 7.790 ( -3.714 0.879 0.945) 3.932 7.938 ( 0.190 1.847 1.826) 2.604 8.171 ( 0.067 -5.003 -1.506) 5.225 8.260 ( 5.911 -1.540 -0.565) 6.135 8.383 ( -1.071 -0.446 1.205) 1.673 8.409 ( 4.546 -6.574 4.591) 9.217 8.602 ( 3.912 -2.744 -3.167) 5.732 8.695 ( -5.334 -1.315 -4.322) 6.990 8.799 ( -3.865 -2.559 5.221) 6.982 9.105 ( 9.637 -6.707 5.509) 12.970 9.131 ( -4.491 -1.016 4.939) 6.752 9.316 ( -2.186 -4.375 -6.224) 7.915 9.413 ( -5.219 -0.126 3.496) 6.283 10.862 ( -2.770 2.867 -0.649) 4.039 10.926 ( -2.339 1.184 0.064) 2.622 11.062 ( -0.961 6.530 -0.933) 6.666 11.213 ( -1.007 -2.730 -2.168) 3.628 11.305 ( 1.211 -0.523 3.357) 3.607 11.473 ( 1.149 -4.210 -1.984) 4.794 11.622 ( 7.116 1.692 -3.199) 7.983 11.819 ( 6.341 2.302 2.185) 7.090 13.586 ( 2.927 -1.328 0.756) 3.302 13.761 ( 1.401 -2.099 -0.538) 2.580 13.806 ( -2.414 -0.503 -4.590) 5.211 13.988 ( -8.972 0.473 -0.363) 8.992 14.144 ( 0.979 4.409 0.908) 4.607 14.280 ( -5.243 -1.653 0.749) 5.548 14.456 ( 4.114 -0.494 3.020) 5.127 14.567 ( -2.042 2.013 -1.355) 3.171 14.607 ( -0.604 3.025 2.053) 3.705 14.898 ( -0.624 -4.795 -4.468) 6.584 15.232 ( 0.510 -5.007 0.078) 5.034 15.288 ( -0.944 -6.702 1.964) 7.047 22.661 ( -3.146 4.086 -1.128) 5.279 22.679 ( -4.332 5.031 0.748) 6.681 23.216 ( 1.948 -6.105 0.313) 6.416 23.245 ( 1.572 -6.547 -0.471) 6.750 24.110 ( 1.296 15.153 3.215) 15.544 24.246 ( 3.433 15.164 -6.062) 16.687 25.391 ( 2.728 -11.954 2.417) 12.497 25.486 ( -1.857 -13.310 1.783) 13.557 25.788 ( -5.267 -0.203 -0.334) 5.281 25.964 ( -6.500 -5.430 -6.077) 10.424 26.192 ( -3.489 -5.054 0.815) 6.195 26.334 ( -4.075 -5.372 0.010) 6.743 27.094 ( -3.277 1.779 2.615) 4.554 27.117 ( -0.587 0.309 -2.474) 2.561 27.349 ( 1.582 0.157 -3.706) 4.033 27.410 ( -4.301 -4.261 3.816) 7.157 28.249 ( 2.845 2.224 5.301) 6.414 28.334 ( 2.918 2.550 -0.794) 3.956 28.559 ( -3.141 2.794 -1.682) 4.528 28.624 ( -3.727 1.610 -5.439) 6.787 28.962 ( 7.931 1.493 2.443) 8.431 29.274 ( -0.173 6.252 -1.290) 6.386 29.357 ( 9.447 -2.752 2.530) 10.160 29.685 ( -2.841 -2.590 2.514) 4.593 31.998 ( -0.006 -0.564 0.777) 0.960 32.007 ( 0.754 -0.985 0.155) 1.250 32.094 ( 0.772 0.909 -0.477) 1.284 32.099 ( 1.289 0.842 -0.628) 1.663 35.140 ( 0.118 4.351 1.447) 4.587 35.187 ( 0.845 3.941 -2.334) 4.657 35.429 ( 0.830 -1.951 -0.598) 2.203 35.458 ( -0.513 -2.885 0.860) 3.054 39.262 ( -0.002 1.047 1.144) 1.551 39.270 ( 1.026 1.089 -1.254) 1.952 39.425 ( -2.094 -1.014 0.725) 2.438 39.459 ( -2.752 -2.140 -1.005) 3.628 46.900 ( -0.297 3.357 1.092) 3.542 46.932 ( 0.060 3.360 -1.269) 3.592 47.343 ( -0.084 -4.410 1.822) 4.772 47.395 ( 0.850 -4.521 -2.057) 5.039 64.655 ( 4.565 24.689 8.431) 26.485 65.109 ( 9.999 20.456 -23.521) 32.737 66.192 ( 6.814 2.368 2.513) 7.639 66.779 ( -13.171 -8.305 9.423) 18.200 85.194 ( -1.203 0.385 1.037) 1.634 85.213 ( -0.805 0.444 -1.485) 1.747 85.404 ( -1.721 -2.382 -0.634) 3.006 85.583 ( -8.799 -9.042 -0.401) 12.623 87.277 ( -0.651 2.065 -0.556) 2.236 87.350 ( -0.041 3.155 4.415) 5.426 87.389 ( -5.855 -0.936 1.715) 6.173 87.893 ( -10.417 -8.590 -14.000) 19.450 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 1.112 20.857 8.066) 22.390 2.343 ( 2.706 14.512 -11.792) 18.894 2.408 ( -3.224 20.971 6.220) 22.110 2.597 ( -0.365 16.380 -12.542) 20.634 2.968 ( 3.735 0.583 1.201) 3.966 3.017 ( -5.783 -1.072 -3.606) 6.899 3.165 ( 6.288 -6.928 -0.298) 9.361 3.182 ( -10.112 -8.108 -1.547) 13.053 3.407 ( -3.452 6.155 6.414) 9.536 3.538 ( 4.948 3.586 -7.367) 9.572 3.685 ( -3.124 -3.834 5.232) 7.200 3.764 ( 3.573 -3.554 -2.192) 5.496 3.886 ( 11.119 10.260 9.908) 18.085 3.945 ( -3.082 2.882 7.673) 8.757 3.997 ( -4.807 3.142 -3.086) 6.519 4.073 ( 1.246 0.192 -3.591) 3.806 4.154 ( 5.220 -0.496 6.034) 7.994 4.239 ( -3.464 -1.870 -1.619) 4.257 4.347 ( -9.790 -2.912 5.161) 11.444 4.402 ( 4.283 -1.825 0.006) 4.656 4.462 ( 2.971 -3.212 1.712) 4.699 4.585 ( -6.185 -1.440 9.817) 11.692 4.608 ( 5.080 2.822 -3.417) 6.742 4.797 ( 6.977 6.581 -1.674) 9.736 4.845 ( -2.217 0.781 1.549) 2.815 4.930 ( -1.387 6.414 -3.542) 7.457 4.978 ( -3.560 1.307 5.493) 6.675 5.136 ( 3.618 0.395 -9.811) 10.464 5.234 ( 0.132 5.580 -2.165) 5.986 5.249 ( 0.459 6.087 -2.786) 6.710 5.384 ( 0.522 -3.219 1.382) 3.542 5.467 ( -1.245 -0.772 -6.044) 6.219 5.609 ( 1.659 -0.192 4.807) 5.089 5.688 ( -3.786 0.844 -3.518) 5.237 5.838 ( 5.592 3.594 1.050) 6.730 5.874 ( -1.004 -0.638 -2.735) 2.983 5.968 ( -2.025 -0.203 3.572) 4.111 6.018 ( 1.924 3.052 -0.946) 3.730 6.172 ( 0.312 0.041 1.633) 1.663 6.190 ( 0.890 -3.374 0.545) 3.532 6.222 ( -0.581 3.774 -1.043) 3.958 6.258 ( -2.091 -3.552 -2.242) 4.692 6.393 ( -2.070 -1.450 2.780) 3.757 6.438 ( -0.551 -3.017 -0.376) 3.089 6.467 ( 1.645 0.307 1.079) 1.991 6.491 ( 0.821 1.586 -1.019) 2.056 6.594 ( -0.160 0.167 2.930) 2.939 6.675 ( -4.614 0.729 -5.209) 6.997 6.779 ( 0.393 -1.081 2.954) 3.170 6.836 ( -4.508 -1.499 -1.422) 4.959 6.845 ( 4.982 -2.217 0.029) 5.453 6.899 ( -1.077 -0.490 -6.478) 6.585 7.022 ( -5.071 1.911 0.844) 5.485 7.051 ( 4.262 0.843 -2.119) 4.834 7.278 ( -0.579 -4.275 2.848) 5.169 7.330 ( 0.573 -4.654 -2.412) 5.273 7.576 ( 2.752 1.826 2.368) 4.064 7.627 ( -2.365 2.081 -2.855) 4.251 7.721 ( 3.291 -1.069 1.792) 3.897 7.779 ( -3.522 -1.120 -4.116) 5.532 8.101 ( 3.262 5.654 2.984) 7.177 8.152 ( 1.830 4.764 -1.418) 5.297 8.222 ( 4.619 -4.470 2.593) 6.931 8.258 ( -7.329 -2.571 -0.296) 7.772 8.475 ( -1.152 -2.006 2.757) 3.600 8.557 ( 1.823 -1.630 -4.950) 5.522 8.652 ( -2.908 -4.086 3.770) 6.275 8.693 ( 2.513 -3.444 -0.918) 4.361 9.006 ( -1.913 -3.428 2.460) 4.633 9.066 ( 2.830 -5.826 -3.349) 7.292 9.261 ( -4.687 0.143 4.383) 6.419 9.313 ( 4.600 -2.356 -1.094) 5.282 10.938 ( 1.074 3.412 0.193) 3.582 10.944 ( -0.804 3.552 -0.475) 3.673 11.115 ( -0.570 -1.963 1.058) 2.302 11.141 ( -0.196 -2.732 -1.563) 3.153 11.367 ( -2.020 5.715 3.823) 7.166 11.439 ( 1.328 4.282 -3.573) 5.733 11.692 ( -6.890 -4.499 4.560) 9.408 11.768 ( 7.346 -6.817 -3.321) 10.558 13.725 ( 0.988 0.509 1.476) 1.848 13.740 ( 0.876 1.094 1.102) 1.783 13.804 ( 1.547 -0.236 -1.482) 2.155 13.836 ( -4.023 -0.013 -3.657) 5.437 14.241 ( -1.764 3.561 2.554) 4.724 14.284 ( 2.218 5.072 -2.097) 5.920 14.461 ( 1.321 -5.195 4.267) 6.852 14.535 ( -0.772 -4.276 -3.724) 5.722 14.711 ( 0.582 5.499 3.182) 6.380 14.783 ( -1.162 2.067 -4.451) 5.043 15.144 ( -1.442 -4.702 3.247) 5.893 15.183 ( 1.651 -5.714 -0.909) 6.017 22.754 ( -1.612 6.833 0.464) 7.036 22.764 ( 1.650 6.951 -0.563) 7.167 23.077 ( -1.492 -7.899 0.849) 8.084 23.094 ( 1.372 -8.128 -0.874) 8.289 24.479 ( -0.024 16.226 3.803) 16.666 24.560 ( 0.087 14.627 -4.782) 15.389 25.150 ( -0.151 -13.895 3.493) 14.328 25.198 ( 0.500 -14.478 -1.669) 14.583 25.744 ( -0.034 0.277 0.480) 0.555 25.775 ( -2.013 -1.000 -3.052) 3.791 26.124 ( 1.250 -3.529 2.091) 4.288 26.157 ( -0.185 -4.782 -1.589) 5.042 27.103 ( -1.430 2.366 0.610) 2.831 27.121 ( 0.586 1.182 -1.310) 1.859 27.306 ( -1.069 -2.162 2.341) 3.361 27.340 ( 1.948 -3.320 -1.338) 4.076 28.370 ( 0.080 2.710 6.089) 6.665 28.428 ( 1.451 0.825 2.597) 3.088 28.534 ( -0.114 1.265 -5.264) 5.415 28.555 ( -2.396 0.961 -5.920) 6.458 29.201 ( 4.316 4.872 3.380) 7.334 29.243 ( -3.136 3.435 -1.177) 4.798 29.513 ( 0.867 -3.606 0.353) 3.725 29.518 ( -0.180 -3.929 -0.139) 3.935 31.992 ( -0.252 -0.232 0.773) 0.846 31.998 ( -0.107 -0.531 0.197) 0.576 32.119 ( 0.132 0.579 -0.312) 0.671 32.124 ( 0.282 0.379 -0.825) 0.951 35.234 ( -0.339 4.045 1.320) 4.268 35.264 ( 0.467 3.214 -1.876) 3.751 35.387 ( -0.441 -2.681 0.330) 2.737 35.389 ( 0.247 -3.006 0.081) 3.017 39.281 ( -0.627 1.020 0.881) 1.487 39.300 ( 0.843 0.504 -1.148) 1.511 39.390 ( -0.497 -0.573 0.839) 1.131 39.403 ( 0.216 -0.852 -0.548) 1.036 46.987 ( -0.214 4.609 1.325) 4.800 47.015 ( 0.242 4.694 -1.615) 4.970 47.245 ( -0.236 -5.323 2.098) 5.726 47.283 ( 0.190 -5.711 -1.939) 6.034 65.142 ( -3.302 14.798 8.653) 17.457 65.341 ( 2.547 6.580 -12.373) 14.243 66.437 ( -10.675 -1.156 2.760) 11.087 66.490 ( 12.952 -3.211 -2.311) 13.543 85.191 ( -0.436 0.530 0.732) 1.003 85.209 ( 0.607 0.063 -1.147) 1.299 85.338 ( -2.939 -2.719 1.259) 4.197 85.353 ( 2.211 -2.965 -0.352) 3.715 87.319 ( 0.197 2.516 3.053) 3.961 87.374 ( 0.143 2.624 -1.774) 3.171 87.462 ( 2.805 0.160 5.611) 6.275 87.604 ( -3.859 -3.556 -8.586) 10.062 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -4.942 18.616 -1.622) 19.329 2.288 ( -1.389 18.174 0.442) 18.233 2.461 ( 2.895 18.045 2.813) 18.491 2.559 ( -0.323 13.211 -4.944) 14.110 2.820 ( -9.810 5.911 -0.991) 11.495 3.016 ( -5.858 -1.723 0.697) 6.146 3.069 ( 0.132 -7.037 4.195) 8.193 3.198 ( -14.222 -5.601 2.426) 15.476 3.321 ( -1.165 -0.848 0.394) 1.494 3.413 ( -7.830 -1.719 0.951) 8.073 3.655 ( -9.488 1.338 -0.462) 9.593 3.801 ( -10.851 3.277 2.013) 11.512 3.834 ( -8.804 -2.083 -1.392) 9.154 3.853 ( -4.654 -0.649 -3.087) 5.622 3.918 ( 1.813 -3.120 -0.600) 3.658 3.995 ( -2.507 -0.209 -1.511) 2.935 4.115 ( -1.566 5.506 -1.872) 6.023 4.254 ( -0.825 -2.031 1.584) 2.704 4.328 ( 4.222 2.582 2.928) 5.750 4.367 ( -1.882 4.592 2.269) 5.457 4.553 ( 2.310 -8.160 -0.183) 8.482 4.702 ( 4.170 1.547 2.760) 5.235 4.747 ( 5.657 2.256 2.622) 6.631 4.846 ( 4.037 1.767 -3.968) 5.930 4.865 ( 6.522 -3.013 -3.763) 8.110 4.975 ( 9.316 13.009 6.027) 17.098 5.060 ( 5.685 -1.293 -0.686) 5.871 5.153 ( 5.644 6.958 -9.083) 12.758 5.269 ( 4.334 8.882 -3.662) 10.539 5.325 ( 2.386 4.576 2.794) 5.868 5.422 ( 4.842 -1.105 2.157) 5.415 5.432 ( 0.958 -1.080 -5.267) 5.461 5.588 ( 0.878 -1.507 0.178) 1.753 5.720 ( -0.293 3.342 2.397) 4.123 5.866 ( 1.190 -1.178 0.121) 1.679 5.902 ( 3.940 5.167 -3.183) 7.236 5.955 ( -0.575 -1.308 1.248) 1.898 6.067 ( 1.275 0.808 1.040) 1.833 6.159 ( -0.722 0.517 0.479) 1.009 6.173 ( 0.519 -0.053 -1.700) 1.779 6.217 ( -0.526 0.578 -0.183) 0.803 6.276 ( 1.794 -2.187 2.904) 4.054 6.377 ( -0.399 1.153 0.838) 1.480 6.415 ( -2.822 -5.936 -1.126) 6.668 6.458 ( -0.566 -1.289 2.272) 2.673 6.478 ( 0.061 0.556 -1.533) 1.632 6.632 ( -1.566 0.342 1.416) 2.139 6.679 ( 1.503 1.084 5.891) 6.175 6.718 ( 1.403 -0.147 -2.192) 2.607 6.830 ( 0.940 1.268 -1.970) 2.524 6.911 ( 4.023 -0.933 2.969) 5.086 6.933 ( -0.780 0.699 2.309) 2.536 7.007 ( 6.715 -3.384 -2.597) 7.956 7.101 ( 1.531 1.942 -0.887) 2.627 7.244 ( -3.436 0.048 1.069) 3.599 7.343 ( 0.121 -4.812 -0.658) 4.859 7.501 ( -4.751 0.532 -0.806) 4.848 7.606 ( -1.565 -2.888 -1.155) 3.482 7.774 ( 3.533 0.753 0.323) 3.627 7.809 ( 3.958 -1.755 -0.660) 4.380 8.027 ( -7.341 4.423 -1.843) 8.766 8.095 ( -5.599 -2.091 -3.397) 6.875 8.213 ( -0.585 -0.053 0.073) 0.592 8.375 ( 4.333 -0.242 3.003) 5.278 8.397 ( -5.450 -1.312 -0.686) 5.647 8.468 ( -5.532 -3.876 0.573) 6.779 8.627 ( -1.903 -2.208 -0.004) 2.915 8.784 ( 4.540 -6.079 0.642) 7.614 8.969 ( -2.562 -4.227 -0.033) 4.943 9.097 ( 1.278 -6.712 -0.682) 6.866 9.250 ( 5.689 4.841 0.854) 7.519 9.447 ( 7.632 -2.761 -1.343) 8.227 10.935 ( 0.477 3.683 -0.276) 3.724 10.975 ( 2.043 2.551 -0.450) 3.299 11.116 ( 0.062 -0.599 2.239) 2.319 11.127 ( -0.845 -3.290 -0.789) 3.487 11.309 ( -4.493 0.959 3.015) 5.495 11.470 ( -0.244 4.696 0.782) 4.767 11.539 ( -7.305 -0.492 0.761) 7.361 11.870 ( 3.363 -5.515 -3.653) 7.421 13.633 ( -6.520 2.378 -1.757) 7.159 13.730 ( -1.968 -1.627 0.628) 2.629 13.751 ( -2.473 1.826 0.332) 3.092 13.927 ( 6.021 -4.433 1.164) 7.567 14.235 ( -0.126 4.662 1.517) 4.905 14.326 ( 3.326 3.154 -2.335) 5.144 14.462 ( -2.355 -4.151 -0.401) 4.789 14.528 ( 1.451 -4.509 -0.331) 4.749 14.743 ( 1.194 5.222 0.957) 5.441 14.769 ( 1.195 2.351 -0.555) 2.695 15.115 ( -2.803 -3.829 2.355) 5.297 15.187 ( -0.597 -7.347 -1.688) 7.562 22.751 ( 1.074 6.036 0.512) 6.152 22.823 ( 4.624 6.750 -0.649) 8.207 23.052 ( -1.525 -7.703 0.833) 7.897 23.117 ( 1.418 -6.693 -0.618) 6.869 24.473 ( -2.502 15.672 2.908) 16.134 24.525 ( -1.255 15.743 -3.435) 16.162 25.129 ( -2.886 -13.787 1.049) 14.125 25.199 ( 0.053 -15.710 -0.957) 15.739 25.779 ( 3.734 0.102 0.826) 3.826 25.816 ( 5.517 -1.048 1.748) 5.881 26.125 ( 0.630 -2.366 -0.438) 2.488 26.219 ( 5.248 -6.123 -1.167) 8.149 27.094 ( -0.163 1.815 1.444) 2.325 27.145 ( 2.192 0.617 0.113) 2.280 27.294 ( -0.839 -1.014 0.524) 1.417 27.378 ( 2.622 -4.447 -1.995) 5.535 28.340 ( -4.271 2.334 2.421) 5.436 28.389 ( -4.191 0.866 -1.472) 4.526 28.579 ( 4.691 1.694 0.583) 5.022 28.583 ( 5.698 0.826 -0.828) 5.816 29.075 ( -8.611 5.087 -1.519) 10.116 29.312 ( -7.905 -5.313 -2.392) 9.820 29.384 ( 3.693 6.690 1.500) 7.788 29.634 ( 3.926 -4.695 0.044) 6.120 31.986 ( -0.692 -0.248 0.758) 1.056 31.991 ( -0.750 -0.472 0.480) 1.008 32.110 ( -0.777 0.528 -0.553) 1.090 32.116 ( -0.636 0.333 -0.871) 1.129 35.231 ( -0.569 4.210 1.222) 4.421 35.261 ( 0.197 3.172 -1.639) 3.576 35.376 ( -0.536 -2.087 0.302) 2.176 35.398 ( 0.282 -3.414 0.185) 3.431 39.275 ( -0.496 1.422 0.818) 1.714 39.309 ( 0.694 0.603 -1.357) 1.639 39.397 ( 0.771 -0.921 1.159) 1.669 39.421 ( 1.765 -1.267 -0.517) 2.234 46.990 ( -0.162 4.563 1.352) 4.762 47.012 ( 0.344 4.691 -1.545) 4.951 47.248 ( -0.502 -5.415 2.002) 5.795 47.274 ( -0.074 -5.473 -1.831) 5.772 65.082 ( -6.329 16.723 8.119) 19.637 65.358 ( 3.583 8.158 -9.193) 12.802 66.233 ( -10.284 5.199 1.985) 11.694 66.675 ( 7.234 -13.405 -4.755) 15.957 85.199 ( 0.898 0.750 0.679) 1.353 85.230 ( 2.186 -0.035 -1.549) 2.679 85.344 ( 2.767 -1.281 1.091) 3.239 85.426 ( 4.993 -4.902 0.745) 7.036 87.337 ( 0.352 3.883 0.925) 4.007 87.403 ( 3.759 0.626 -0.927) 3.922 87.511 ( -1.248 -0.834 -7.570) 7.717 87.556 ( 3.011 -3.999 8.031) 9.464 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -4.763 17.145 -8.119) 19.559 2.356 ( 3.252 11.097 10.675) 15.737 2.416 ( -5.871 11.365 -6.630) 14.408 2.520 ( -6.327 9.102 6.424) 12.812 2.664 ( -8.006 7.361 3.415) 11.400 2.826 ( -19.897 -3.909 -0.875) 20.297 2.956 ( -5.226 -4.488 0.256) 6.893 2.997 ( -5.667 1.043 3.252) 6.616 3.179 ( -8.730 6.943 -1.027) 11.201 3.438 ( -3.274 -6.295 0.617) 7.122 3.464 ( -0.531 -1.258 5.463) 5.631 3.615 ( -3.379 -3.122 -2.896) 5.436 3.648 ( -8.500 6.764 0.719) 10.887 3.693 ( -11.194 0.007 -6.857) 13.127 3.940 ( -6.583 -4.816 3.681) 8.949 4.014 ( 4.548 0.436 -2.445) 5.182 4.145 ( 2.074 -2.158 -3.206) 4.386 4.233 ( -1.057 -3.724 -0.211) 3.876 4.387 ( 3.302 2.638 -1.304) 4.423 4.421 ( 9.340 4.470 -1.282) 10.433 4.598 ( -0.457 -3.603 0.759) 3.711 4.737 ( 2.990 -5.479 1.936) 6.535 4.784 ( -1.016 11.117 -4.073) 11.883 4.846 ( 2.843 2.206 -3.423) 4.966 5.028 ( 1.243 3.203 -4.614) 5.753 5.137 ( 6.108 8.371 -2.518) 10.664 5.156 ( 10.480 -3.354 -0.378) 11.010 5.273 ( -1.178 2.800 -3.208) 4.418 5.313 ( 4.313 4.538 3.941) 7.397 5.379 ( 7.299 3.582 0.214) 8.134 5.476 ( 5.952 6.867 0.353) 9.094 5.568 ( 8.098 0.602 2.609) 8.529 5.700 ( 7.772 0.072 0.190) 7.774 5.742 ( 2.697 1.743 3.419) 4.690 5.806 ( -3.087 2.768 3.011) 5.124 5.956 ( 1.305 4.624 0.030) 4.805 5.992 ( 1.652 -5.245 -2.121) 5.894 6.059 ( -3.814 2.931 1.610) 5.072 6.129 ( 0.217 2.921 -1.402) 3.248 6.195 ( 2.569 -0.254 -2.416) 3.536 6.271 ( 2.419 3.326 2.534) 4.831 6.286 ( 0.032 -2.152 -0.802) 2.297 6.340 ( -2.577 -2.746 -1.082) 3.919 6.403 ( 1.864 0.175 1.961) 2.711 6.477 ( 1.181 0.232 -0.795) 1.443 6.516 ( 2.822 -0.088 2.131) 3.537 6.560 ( -2.525 -1.736 -0.352) 3.085 6.713 ( -0.570 -0.404 2.842) 2.927 6.777 ( -1.417 -2.804 1.285) 3.394 6.837 ( -1.118 3.547 6.356) 7.364 6.918 ( 2.402 4.829 -2.433) 5.916 7.001 ( 0.904 -1.358 0.450) 1.692 7.119 ( 4.839 -0.602 1.629) 5.141 7.141 ( 1.515 3.789 1.195) 4.252 7.170 ( -0.875 2.458 -0.300) 2.626 7.314 ( -2.899 0.034 3.065) 4.219 7.463 ( 2.795 -5.741 -3.670) 7.364 7.620 ( 0.228 -2.672 -1.210) 2.942 7.779 ( -1.156 0.830 -1.366) 1.972 7.861 ( -3.093 2.633 -3.143) 5.136 7.926 ( 2.371 -5.793 -0.046) 6.260 7.966 ( -6.746 -3.658 -0.851) 7.721 8.117 ( -6.524 -2.587 -0.907) 7.077 8.325 ( -5.072 -3.838 0.065) 6.361 8.363 ( 1.231 0.475 0.147) 1.328 8.451 ( -1.398 -3.749 0.240) 4.008 8.559 ( -5.370 -3.417 0.381) 6.376 8.745 ( -8.948 -10.058 -2.411) 13.676 9.016 ( 9.773 2.750 0.909) 10.193 9.186 ( 5.992 -4.348 4.244) 8.534 9.393 ( 7.952 4.104 -3.021) 9.445 9.543 ( 3.659 -1.555 -3.707) 5.436 10.966 ( 2.848 3.380 1.037) 4.540 10.991 ( 0.252 3.064 0.991) 3.230 11.107 ( -0.690 -3.729 -0.853) 3.887 11.140 ( 0.176 1.047 2.752) 2.950 11.265 ( -1.696 -3.575 4.338) 5.871 11.358 ( -7.845 -3.296 4.537) 9.643 11.521 ( 0.696 8.946 -3.175) 9.518 11.831 ( -4.198 -2.434 -7.719) 9.117 13.540 ( -2.267 -0.295 -2.236) 3.197 13.654 ( -4.788 -3.541 -1.403) 6.118 13.764 ( 1.258 2.112 6.094) 6.571 14.009 ( 2.107 -7.676 0.936) 8.015 14.244 ( 0.411 4.655 0.594) 4.711 14.360 ( 1.184 0.264 -4.015) 4.194 14.437 ( 1.157 -0.307 0.124) 1.203 14.554 ( 0.826 -4.678 0.771) 4.812 14.769 ( 2.039 4.525 -2.243) 5.446 14.787 ( -0.513 2.384 2.732) 3.662 15.079 ( -2.055 -4.155 2.080) 5.081 15.153 ( -1.594 -8.561 -2.280) 9.001 22.790 ( 2.472 4.601 1.155) 5.350 22.904 ( 4.093 5.375 -1.921) 7.024 23.036 ( -0.628 -5.746 1.746) 6.038 23.135 ( 0.697 -4.397 -0.738) 4.513 24.431 ( -2.726 15.570 1.730) 15.902 24.487 ( -1.498 16.401 -2.055) 16.597 25.081 ( -2.232 -14.228 0.596) 14.415 25.182 ( -1.302 -16.651 -1.645) 16.783 25.876 ( 5.190 0.357 2.319) 5.695 25.939 ( 5.682 -0.814 2.702) 6.344 26.161 ( 2.894 -2.902 0.957) 4.209 26.306 ( 4.872 -7.848 -2.996) 9.712 27.109 ( 0.565 1.438 2.642) 3.060 27.195 ( 2.567 -0.403 1.414) 2.959 27.282 ( -0.415 -0.692 -0.729) 1.088 27.407 ( 1.731 -5.611 -3.057) 6.620 28.278 ( -2.807 2.202 0.776) 3.651 28.318 ( -2.656 0.954 -0.321) 2.840 28.673 ( 4.416 2.259 1.170) 5.096 28.691 ( 5.422 0.794 0.445) 5.497 28.917 ( -7.035 4.761 -2.076) 8.745 29.097 ( -10.977 -1.511 -3.339) 11.572 29.489 ( 4.916 3.841 0.670) 6.274 29.662 ( -0.555 -2.722 -0.032) 2.778 31.977 ( -0.796 -0.295 0.911) 1.245 31.978 ( -0.674 -0.352 0.688) 1.025 32.089 ( -1.057 0.487 -0.791) 1.407 32.096 ( -0.879 0.144 -1.021) 1.355 35.227 ( -0.499 4.372 1.178) 4.556 35.255 ( -0.035 3.403 -1.352) 3.662 35.373 ( 0.039 -1.985 0.315) 2.011 35.399 ( -0.166 -3.439 0.049) 3.443 39.273 ( -0.180 1.913 0.941) 2.139 39.312 ( 0.407 1.139 -1.565) 1.978 39.423 ( 1.137 -1.715 1.560) 2.582 39.453 ( 1.881 -2.053 -0.818) 2.902 46.993 ( -0.241 4.521 1.299) 4.710 47.012 ( 0.476 4.668 -1.432) 4.906 47.246 ( -0.721 -5.427 1.698) 5.732 47.265 ( 0.061 -5.305 -1.529) 5.521 65.023 ( -4.404 20.182 9.217) 22.620 65.345 ( 0.087 13.751 -10.003) 17.005 66.136 ( -1.671 1.070 5.205) 5.570 66.694 ( -1.511 -18.235 -7.627) 19.823 85.226 ( 1.370 1.193 0.780) 1.976 85.263 ( 2.221 0.313 -2.059) 3.045 85.431 ( 5.511 -2.093 0.534) 5.919 85.515 ( 3.431 -5.486 1.582) 6.661 87.346 ( 0.456 3.322 -0.009) 3.353 87.433 ( 0.036 -0.199 -4.268) 4.273 87.534 ( 6.917 -2.684 -2.825) 7.939 87.636 ( 0.593 -6.831 8.813) 11.166 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 6.170 10.885 -5.203) 13.550 2.168 ( -16.605 4.315 -3.324) 17.476 2.360 ( -5.641 -2.419 4.728) 7.747 2.466 ( -5.473 -6.668 -0.126) 8.627 2.535 ( 2.193 13.516 4.071) 14.285 2.636 ( -6.233 9.174 2.493) 11.368 2.888 ( 2.763 4.525 8.412) 9.943 2.987 ( -0.901 8.298 3.898) 9.213 3.097 ( 0.933 8.225 -3.606) 9.029 3.362 ( -7.539 -1.643 -7.690) 10.894 3.451 ( -3.009 4.183 -4.247) 6.677 3.487 ( -1.911 -0.791 -1.435) 2.517 3.589 ( 0.710 3.004 6.004) 6.751 3.666 ( 4.960 -6.579 1.328) 8.345 3.836 ( -6.968 -6.010 3.837) 9.970 3.973 ( -2.509 -10.151 -4.842) 11.523 4.171 ( -4.519 -2.151 0.859) 5.078 4.204 ( 3.826 2.474 -1.752) 4.881 4.401 ( 0.346 -2.697 -2.844) 3.934 4.514 ( -6.138 -6.100 -3.046) 9.175 4.614 ( 6.365 10.281 1.471) 12.181 4.737 ( -1.517 13.300 -3.683) 13.884 4.874 ( 5.772 -2.513 4.561) 7.774 4.928 ( 11.052 1.324 -2.696) 11.453 5.076 ( 6.278 8.409 -1.590) 10.614 5.110 ( -2.884 -4.458 -4.125) 6.724 5.172 ( -8.478 1.914 0.027) 8.691 5.262 ( -4.543 4.442 -2.172) 6.715 5.386 ( 4.748 1.248 -0.062) 4.910 5.447 ( 2.515 0.934 -2.348) 3.565 5.673 ( 6.994 10.972 5.013) 13.943 5.717 ( 5.606 -1.138 3.469) 6.690 5.751 ( 5.462 -0.193 -1.038) 5.563 5.790 ( 1.085 -0.028 3.937) 4.084 5.931 ( -0.215 -3.239 1.446) 3.554 5.944 ( -3.502 -0.930 1.941) 4.111 5.981 ( 0.505 -3.189 -1.889) 3.741 5.985 ( 3.051 4.921 -0.181) 5.793 6.103 ( -3.403 1.775 -1.602) 4.159 6.203 ( -5.001 -1.633 -2.014) 5.634 6.293 ( 1.592 5.379 0.114) 5.610 6.310 ( 7.093 4.126 -3.489) 8.916 6.348 ( 1.503 3.354 0.695) 3.741 6.443 ( 0.679 2.343 7.681) 8.059 6.489 ( -6.496 2.941 1.745) 7.341 6.531 ( 2.226 -0.116 -0.858) 2.389 6.576 ( 1.324 0.352 1.126) 1.773 6.671 ( 0.130 5.677 -0.437) 5.696 6.744 ( -0.987 -3.175 -0.358) 3.344 6.825 ( -3.155 3.673 -0.264) 4.849 6.932 ( 0.582 -0.752 -0.746) 1.209 6.968 ( -3.034 0.333 1.940) 3.617 7.169 ( 0.810 8.309 6.173) 10.383 7.183 ( 3.897 0.233 1.273) 4.107 7.260 ( 5.702 1.148 3.048) 6.566 7.341 ( 1.961 0.689 1.565) 2.602 7.485 ( -0.730 -3.534 -5.296) 6.409 7.569 ( -1.006 4.258 -4.332) 6.157 7.701 ( -3.117 -6.173 -3.705) 7.845 7.770 ( -4.937 -1.711 -5.252) 7.408 7.901 ( 2.053 -5.722 2.258) 6.485 8.020 ( -5.478 -5.354 0.616) 7.684 8.053 ( 8.270 -9.036 2.711) 12.546 8.239 ( -4.529 -11.207 -1.806) 12.221 8.391 ( -1.594 -0.283 0.439) 1.678 8.415 ( 0.151 -1.766 -3.266) 3.716 8.454 ( -4.225 -2.572 4.010) 6.367 8.580 ( -5.374 -4.991 -3.419) 8.092 9.228 ( 10.206 1.878 4.213) 11.199 9.304 ( 3.402 -1.267 5.963) 6.981 9.455 ( 0.201 3.115 -4.644) 5.595 9.527 ( -2.621 -0.287 -6.927) 7.411 11.021 ( 2.980 0.776 3.310) 4.521 11.057 ( 4.388 1.601 1.499) 4.906 11.090 ( -1.043 -2.810 -0.162) 3.002 11.138 ( -0.758 1.847 3.090) 3.679 11.231 ( -3.177 -2.574 0.810) 4.168 11.332 ( 0.819 -1.325 7.563) 7.722 11.477 ( -3.663 7.358 -2.989) 8.746 11.690 ( -4.263 -0.323 -11.260) 12.044 13.524 ( 1.295 -3.430 -1.717) 4.048 13.562 ( -4.061 -3.995 -0.744) 5.745 13.842 ( 2.985 0.031 7.436) 8.013 14.013 ( -0.943 -6.741 -2.138) 7.134 14.259 ( 0.698 3.397 1.426) 3.750 14.343 ( -0.462 0.235 -3.793) 3.828 14.486 ( 2.123 -1.536 2.333) 3.508 14.557 ( -0.115 -4.649 -1.256) 4.817 14.775 ( -1.537 4.185 1.842) 4.824 14.792 ( 1.558 4.087 -2.106) 4.855 15.064 ( -0.914 -5.520 2.506) 6.131 15.120 ( -0.611 -8.690 -2.327) 9.017 22.841 ( 2.018 3.250 1.911) 4.276 22.925 ( -0.405 2.182 -2.839) 3.604 23.061 ( 1.890 -1.958 2.419) 3.641 23.131 ( -0.605 -2.477 -1.262) 2.845 24.403 ( -1.467 15.855 2.435) 16.108 24.456 ( -0.242 16.372 -2.813) 16.613 25.065 ( -0.015 -14.987 1.599) 15.073 25.140 ( -1.826 -16.361 -2.520) 16.654 25.965 ( 2.373 0.792 3.359) 4.188 26.024 ( 2.865 1.141 -0.627) 3.147 26.219 ( 1.237 -5.588 4.904) 7.537 26.353 ( 2.126 -9.074 -5.001) 10.577 27.136 ( 0.578 1.531 3.727) 4.070 27.234 ( 0.865 1.168 -1.881) 2.377 27.282 ( 0.551 -3.855 2.810) 4.802 27.406 ( 0.050 -6.262 -4.152) 7.514 28.254 ( -0.542 2.245 1.560) 2.787 28.286 ( -0.938 1.053 -0.091) 1.414 28.732 ( 1.119 2.826 -1.098) 3.232 28.746 ( 0.200 0.998 -0.810) 1.301 28.847 ( 1.015 3.464 0.013) 3.610 28.919 ( -5.537 1.076 -2.942) 6.362 29.566 ( 3.221 1.843 0.622) 3.763 29.627 ( -3.027 -0.128 0.292) 3.044 31.968 ( -0.623 -0.096 1.244) 1.394 31.975 ( -0.116 -0.421 0.562) 0.712 32.070 ( -0.444 0.409 -0.724) 0.943 32.079 ( -0.256 -0.058 -1.305) 1.331 35.224 ( -0.474 4.362 1.333) 4.585 35.250 ( 0.290 3.737 -1.422) 4.009 35.378 ( 0.321 -2.268 0.416) 2.328 35.393 ( -0.395 -3.180 -0.161) 3.209 39.276 ( -0.017 2.150 1.126) 2.427 39.309 ( 0.138 1.578 -1.653) 2.289 39.446 ( 0.314 -2.175 1.747) 2.807 39.475 ( 0.977 -2.622 -1.155) 3.028 46.993 ( -0.399 4.528 1.222) 4.707 47.015 ( 0.560 4.648 -1.377) 4.880 47.240 ( -0.732 -5.391 1.519) 5.648 47.262 ( 0.412 -5.298 -1.340) 5.480 65.015 ( -2.178 22.618 11.260) 25.360 65.287 ( 0.873 18.595 -13.226) 22.835 66.204 ( 3.636 -7.326 10.605) 13.393 66.574 ( -5.519 -17.229 -10.811) 21.075 85.249 ( 0.546 1.491 1.016) 1.885 85.284 ( 1.135 0.583 -2.353) 2.677 85.524 ( 3.516 -3.609 0.748) 5.094 85.553 ( 0.091 -4.284 1.018) 4.404 87.353 ( 0.115 2.111 0.572) 2.191 87.408 ( -0.507 0.333 -3.699) 3.749 87.652 ( -2.631 -6.695 6.773) 9.881 87.663 ( 7.239 -7.334 -2.434) 10.589 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -8.376 11.883 0.530) 14.548 2.153 ( 12.057 7.041 -1.121) 14.007 2.393 ( 9.907 -6.074 4.612) 12.502 2.468 ( 6.597 -8.668 -5.825) 12.353 2.559 ( 0.243 15.099 1.902) 15.221 2.673 ( 8.989 10.646 0.689) 13.950 2.967 ( 0.625 9.674 4.014) 10.492 3.055 ( 2.191 5.493 -2.783) 6.536 3.113 ( -3.047 4.227 -2.465) 5.764 3.192 ( 5.179 4.180 0.026) 6.655 3.440 ( -1.272 1.755 -1.117) 2.438 3.477 ( 2.995 -3.057 -1.087) 4.416 3.614 ( -0.985 1.524 2.934) 3.451 3.750 ( 3.782 -1.904 -6.146) 7.464 3.828 ( 3.535 -10.882 10.160) 15.302 3.914 ( -0.881 -10.063 -4.564) 11.085 4.094 ( -5.102 2.021 5.836) 8.011 4.267 ( 4.630 0.305 -2.190) 5.131 4.362 ( -7.269 -3.682 -1.742) 8.332 4.456 ( 4.565 -7.200 2.467) 8.875 4.623 ( -5.436 12.878 3.768) 14.477 4.689 ( -2.425 12.129 -2.455) 12.610 4.906 ( -11.208 2.630 -1.382) 11.595 4.984 ( -3.629 -4.112 -5.941) 8.086 5.037 ( 3.254 1.825 2.793) 4.661 5.085 ( -8.860 4.184 -1.060) 9.856 5.175 ( 8.063 5.014 -0.301) 9.499 5.239 ( 7.647 2.015 0.341) 7.915 5.395 ( -2.421 0.167 -0.867) 2.577 5.471 ( 0.605 1.311 -4.499) 4.725 5.688 ( -7.839 5.721 0.840) 9.740 5.741 ( -4.202 1.833 1.209) 4.741 5.788 ( -3.173 -0.218 -1.249) 3.417 5.818 ( -5.178 -1.245 0.619) 5.362 5.871 ( 2.295 -4.227 5.133) 7.035 5.916 ( 3.042 -2.423 0.850) 3.981 6.004 ( 0.236 -0.611 0.354) 0.745 6.029 ( -4.009 5.150 -3.255) 7.293 6.103 ( 1.676 2.789 -1.887) 3.761 6.147 ( 6.110 -0.205 3.072) 6.842 6.205 ( -10.925 4.079 4.666) 12.561 6.298 ( -4.188 1.501 2.558) 5.132 6.373 ( -0.795 2.946 -3.058) 4.320 6.442 ( -1.184 0.847 4.642) 4.865 6.522 ( 4.570 2.159 -1.779) 5.359 6.583 ( 3.218 3.612 -1.559) 5.082 6.641 ( 3.307 -1.491 2.214) 4.250 6.645 ( -0.540 2.235 -5.193) 5.679 6.750 ( -1.823 1.464 -1.394) 2.722 6.804 ( 5.738 5.995 0.637) 8.322 6.906 ( -1.557 0.091 3.096) 3.467 6.977 ( 1.219 1.856 0.099) 2.223 7.217 ( -1.233 0.135 -0.881) 1.522 7.269 ( 2.573 0.911 0.527) 2.780 7.294 ( 0.624 1.791 3.042) 3.585 7.325 ( -4.226 7.083 -4.609) 9.448 7.463 ( 2.691 0.451 3.462) 4.408 7.538 ( -0.747 -0.745 -8.158) 8.226 7.668 ( -2.198 -4.330 -0.182) 4.860 7.733 ( 6.262 -4.174 -2.093) 7.811 7.915 ( -2.762 -4.151 1.268) 5.144 8.032 ( 7.610 -7.110 0.041) 10.415 8.105 ( -6.625 -9.899 -1.885) 12.059 8.213 ( 5.866 -10.353 -0.413) 11.907 8.350 ( -0.151 -1.856 3.201) 3.703 8.415 ( 0.834 -2.551 -1.793) 3.228 8.486 ( 1.747 -1.676 2.806) 3.706 8.531 ( 2.571 -3.195 -0.885) 4.196 9.314 ( -10.622 2.630 -3.715) 11.556 9.354 ( -1.899 2.218 4.995) 5.786 9.399 ( 3.712 0.172 6.067) 7.115 9.425 ( -4.101 -1.653 -6.694) 8.023 11.043 ( -3.076 -0.718 0.634) 3.222 11.068 ( -1.758 -1.820 0.183) 2.537 11.111 ( 0.344 -1.435 -0.715) 1.640 11.142 ( 2.877 -2.159 0.098) 3.598 11.297 ( 5.355 6.150 7.254) 10.914 11.319 ( -1.431 5.434 -5.421) 7.808 11.476 ( 3.542 0.883 10.149) 10.785 11.589 ( -0.937 -1.819 -11.338) 11.522 13.501 ( -1.711 -2.742 0.534) 3.275 13.571 ( 3.815 -4.698 -1.410) 6.214 13.912 ( -0.406 -1.833 4.361) 4.748 13.985 ( 1.311 -4.074 -3.516) 5.539 14.272 ( -0.943 2.059 2.375) 3.281 14.311 ( -0.932 0.988 -2.506) 2.850 14.476 ( -3.698 -1.993 2.332) 4.804 14.582 ( 3.041 -4.696 -2.794) 6.253 14.754 ( -1.756 5.008 1.754) 5.590 14.812 ( 1.842 3.602 -1.886) 4.464 15.068 ( -0.172 -6.883 3.028) 7.522 15.108 ( 0.525 -7.670 -2.129) 7.977 22.873 ( -0.177 3.003 2.304) 3.789 22.883 ( -2.235 2.394 -2.115) 3.898 23.096 ( -0.461 -1.996 0.304) 2.071 23.108 ( 0.150 -2.464 -0.484) 2.515 24.398 ( -0.398 16.491 2.428) 16.673 24.461 ( 2.441 15.583 -2.884) 16.035 25.085 ( -0.015 -15.323 1.429) 15.390 25.110 ( 0.900 -15.644 -1.288) 15.723 25.978 ( -2.663 1.607 2.382) 3.918 26.043 ( 0.332 1.135 -3.113) 3.330 26.232 ( -3.330 -7.106 6.383) 10.116 26.331 ( -1.485 -8.796 -5.093) 10.272 27.162 ( 0.075 2.060 4.081) 4.572 27.214 ( -0.845 1.564 -4.104) 4.472 27.316 ( 0.221 -5.581 4.931) 7.450 27.370 ( -1.302 -5.784 -4.796) 7.626 28.250 ( -0.957 2.584 1.717) 3.246 28.292 ( 1.645 0.953 -0.442) 1.952 28.708 ( -1.668 2.681 0.968) 3.302 28.758 ( 1.459 0.364 -1.804) 2.349 28.841 ( -0.747 4.432 0.113) 4.496 28.932 ( 6.291 1.099 -3.664) 7.362 29.563 ( -4.134 2.211 0.925) 4.778 29.617 ( 1.876 -0.312 1.227) 2.263 31.968 ( -0.056 -0.061 1.157) 1.160 31.978 ( 0.095 -0.486 0.475) 0.686 32.069 ( 0.714 0.424 -0.619) 1.035 32.077 ( 0.775 -0.022 -1.213) 1.439 35.223 ( -0.375 4.332 1.284) 4.534 35.252 ( 0.725 3.784 -1.464) 4.122 35.383 ( -0.315 -2.944 0.069) 2.962 35.389 ( 0.273 -2.542 0.180) 2.563 39.282 ( -0.052 2.020 1.244) 2.373 39.302 ( -0.024 1.715 -1.582) 2.333 39.449 ( -0.908 -2.064 1.576) 2.751 39.475 ( -0.335 -2.799 -1.267) 3.091 46.991 ( -0.508 4.570 1.160) 4.742 47.019 ( 0.538 4.624 -1.396) 4.860 47.235 ( -0.604 -5.315 1.497) 5.554 47.267 ( 0.788 -5.420 -1.284) 5.625 65.040 ( -1.404 23.553 10.698) 25.907 65.279 ( 5.971 17.791 -14.198) 23.533 66.287 ( -4.171 -10.174 9.241) 14.363 66.468 ( 3.047 -14.143 -7.277) 16.195 85.251 ( -0.870 1.433 1.096) 2.004 85.280 ( -0.312 0.627 -2.259) 2.366 85.513 ( -3.936 -2.729 1.538) 5.031 85.571 ( 0.219 -5.361 -0.382) 5.379 87.354 ( -0.649 1.103 1.730) 2.152 87.377 ( -1.278 0.803 -1.817) 2.362 87.598 ( -5.466 -3.456 4.008) 7.608 87.766 ( 4.951 -10.892 -4.478) 12.775 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 4.284 20.260 2.858) 20.904 2.293 ( 2.766 17.733 6.732) 19.169 2.529 ( 1.149 -0.416 -8.167) 8.258 2.645 ( 8.915 13.844 -4.651) 17.110 2.757 ( 20.384 -6.418 -0.167) 21.372 2.818 ( 5.288 1.391 -5.435) 7.709 2.983 ( 6.206 -0.016 -3.203) 6.984 3.077 ( 6.470 4.771 -2.578) 8.443 3.171 ( 10.959 7.884 -1.453) 13.578 3.381 ( 5.241 -2.306 4.689) 7.401 3.466 ( 8.769 4.769 6.774) 12.063 3.541 ( 3.763 -2.426 -1.764) 4.812 3.619 ( -0.885 -4.736 -0.218) 4.823 3.754 ( 5.113 -0.975 -4.777) 7.065 3.904 ( -3.922 -4.813 7.491) 9.729 3.970 ( -0.632 -5.699 4.725) 7.430 4.041 ( 4.128 1.941 2.604) 5.253 4.280 ( -6.625 -4.742 4.881) 9.497 4.298 ( 0.340 0.281 -0.378) 0.580 4.437 ( -6.261 5.106 -0.564) 8.098 4.588 ( -6.107 10.447 0.331) 12.106 4.627 ( 2.366 -1.100 7.152) 7.613 4.759 ( 0.635 4.720 -0.871) 4.842 4.861 ( -7.119 -2.292 -2.331) 7.834 4.981 ( -1.378 9.173 -0.938) 9.323 5.071 ( -5.999 4.739 3.877) 8.572 5.174 ( -5.325 -4.500 -1.249) 7.083 5.291 ( -3.116 0.069 -4.139) 5.182 5.390 ( -0.815 1.714 -3.088) 3.624 5.432 ( -1.503 1.273 -3.209) 3.766 5.495 ( -7.043 4.635 -3.884) 9.283 5.602 ( -8.246 1.206 -0.203) 8.336 5.699 ( -6.685 1.494 0.291) 6.856 5.784 ( -1.398 1.713 -0.230) 2.223 5.836 ( -5.078 2.115 -0.714) 5.547 5.927 ( -0.980 -3.639 4.065) 5.543 5.958 ( 0.000 3.195 0.383) 3.218 6.030 ( -3.321 -0.110 3.995) 5.197 6.116 ( 4.570 4.168 0.099) 6.186 6.172 ( 2.659 4.101 0.210) 4.892 6.221 ( -5.043 -3.202 3.042) 6.704 6.288 ( 4.916 -5.050 1.452) 7.196 6.348 ( -0.225 1.366 -2.266) 2.655 6.431 ( -3.786 1.210 1.650) 4.304 6.495 ( -0.110 0.788 -3.603) 3.690 6.530 ( -4.097 2.093 -0.531) 4.631 6.631 ( 1.845 -2.874 -5.450) 6.432 6.733 ( 0.518 0.300 0.199) 0.631 6.777 ( 1.577 -3.961 1.156) 4.417 6.855 ( 1.626 0.790 2.453) 3.047 6.946 ( 3.372 6.981 -2.689) 8.206 7.013 ( 0.154 1.930 3.804) 4.269 7.139 ( -5.549 1.570 -3.449) 6.720 7.169 ( -5.292 3.784 -3.570) 7.421 7.253 ( -1.643 -0.140 -4.709) 4.989 7.357 ( 1.902 -1.190 -0.377) 2.275 7.424 ( -2.451 -2.847 -2.867) 4.726 7.606 ( 4.967 3.262 0.631) 5.976 7.719 ( 5.438 -0.831 4.840) 7.328 7.806 ( 0.645 -3.528 0.785) 3.671 7.931 ( 0.264 -3.155 -1.328) 3.433 8.030 ( 3.443 -2.158 -4.271) 5.895 8.114 ( 3.181 -1.242 -1.932) 3.923 8.310 ( 4.081 -4.570 1.778) 6.379 8.363 ( 0.874 -0.720 -0.132) 1.140 8.451 ( 3.181 -5.016 -0.617) 5.972 8.554 ( 4.405 -5.906 1.745) 7.571 8.652 ( 7.586 -8.063 6.315) 12.745 9.060 ( -12.370 4.424 -3.777) 13.670 9.277 ( -7.493 -0.767 -2.194) 7.845 9.321 ( -5.048 -0.105 1.428) 5.247 9.447 ( -2.214 -1.635 6.182) 6.767 10.980 ( -2.951 1.991 -0.467) 3.590 11.024 ( -2.885 2.208 -1.850) 4.077 11.096 ( 0.139 -3.393 0.247) 3.404 11.181 ( 0.511 -0.173 -0.737) 0.914 11.317 ( 2.202 0.631 -2.770) 3.595 11.408 ( 3.972 5.970 4.310) 8.366 11.539 ( 1.760 -3.153 -9.383) 10.054 11.651 ( 7.051 -1.162 10.997) 13.115 13.509 ( 2.484 -0.007 0.840) 2.623 13.643 ( 4.116 -4.159 -0.186) 5.854 13.869 ( -2.334 -0.012 -3.870) 4.519 14.017 ( 0.565 -4.853 -0.596) 4.922 14.248 ( -1.364 3.657 1.882) 4.333 14.295 ( -1.028 0.987 1.107) 1.804 14.421 ( -2.567 -0.209 1.055) 2.784 14.597 ( 0.130 -4.404 -3.137) 5.409 14.728 ( -1.947 5.172 1.823) 5.820 14.838 ( 1.599 1.080 -2.344) 3.036 15.088 ( 0.781 -6.677 3.043) 7.380 15.119 ( 1.553 -6.384 -0.848) 6.625 22.819 ( -2.975 4.165 -1.851) 5.442 22.862 ( -2.855 4.738 2.390) 6.026 23.073 ( -0.286 -4.705 -1.904) 5.083 23.116 ( -0.479 -4.483 1.128) 4.647 24.414 ( 0.848 16.734 2.263) 16.908 24.508 ( 3.849 14.797 -2.968) 15.575 25.084 ( 0.556 -14.019 0.523) 14.040 25.152 ( 2.365 -16.014 1.012) 16.219 25.902 ( -5.650 1.508 -0.064) 5.848 26.004 ( -2.997 -0.579 -4.060) 5.079 26.158 ( -6.147 -6.117 2.924) 9.151 26.271 ( -3.213 -7.223 -0.856) 7.952 27.164 ( -1.213 1.571 -1.530) 2.506 27.179 ( -1.547 2.354 1.002) 2.990 27.310 ( -1.365 -4.961 -1.556) 5.376 27.343 ( -0.701 -4.504 1.981) 4.970 28.256 ( 0.906 3.145 2.207) 3.948 28.324 ( 2.048 0.442 -0.293) 2.116 28.680 ( -2.509 2.607 -0.077) 3.619 28.744 ( -2.089 0.421 -4.043) 4.570 28.882 ( 5.506 5.006 1.354) 7.564 29.074 ( 10.623 -1.535 -1.400) 10.824 29.485 ( -4.875 4.266 1.028) 6.559 29.643 ( -0.111 -2.364 1.825) 2.988 31.978 ( 0.554 -0.270 0.744) 0.966 31.983 ( 0.162 -0.441 0.502) 0.687 32.088 ( 1.572 0.471 -0.680) 1.776 32.092 ( 1.218 0.263 -0.730) 1.445 35.224 ( -0.079 4.290 1.145) 4.440 35.259 ( 0.745 3.550 -1.491) 3.922 35.377 ( -0.116 -2.706 -0.199) 2.716 35.396 ( 0.157 -2.871 0.463) 2.913 39.286 ( -0.194 1.602 1.229) 2.029 39.294 ( 0.092 1.488 -1.383) 2.033 39.430 ( -1.705 -1.521 1.092) 2.532 39.452 ( -1.410 -2.432 -1.038) 2.997 46.987 ( -0.478 4.606 1.167) 4.776 47.020 ( 0.391 4.618 -1.491) 4.868 47.234 ( -0.359 -5.231 1.666) 5.501 47.277 ( 0.927 -5.617 -1.440) 5.872 65.068 ( 0.112 21.709 6.736) 22.730 65.350 ( 7.507 12.242 -12.337) 18.932 66.203 ( -2.885 -1.595 -0.263) 3.307 66.559 ( 3.565 -14.451 4.389) 15.518 85.231 ( -1.680 1.076 0.816) 2.155 85.254 ( -1.381 0.520 -1.669) 2.228 85.431 ( -4.960 -1.700 0.470) 5.264 85.531 ( -4.346 -6.649 0.041) 7.944 87.340 ( -1.860 1.143 1.128) 2.457 87.357 ( -0.556 0.553 2.431) 2.554 87.508 ( -5.102 1.157 0.680) 5.276 87.787 ( 0.310 -11.303 -6.667) 13.126 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 7.349 22.216 5.300) 23.992 2.346 ( -0.013 23.462 3.586) 23.735 2.453 ( -1.748 9.277 -8.094) 12.435 2.699 ( -1.801 12.901 -11.712) 17.517 2.843 ( 7.674 5.333 -3.193) 9.876 3.042 ( 6.077 -7.244 -2.462) 9.770 3.133 ( 2.466 -7.573 -0.653) 7.991 3.229 ( 12.110 -1.511 -2.837) 12.529 3.339 ( 9.579 2.256 -2.033) 10.048 3.464 ( -4.323 -4.893 -3.283) 7.308 3.613 ( 8.946 10.041 5.567) 14.555 3.677 ( -0.325 1.031 6.651) 6.738 3.725 ( 15.789 -0.295 6.396) 17.038 3.866 ( 11.221 0.273 1.248) 11.293 3.923 ( -1.517 -3.767 0.070) 4.062 3.955 ( 4.449 -3.629 5.475) 7.933 4.069 ( -2.885 7.367 1.544) 8.061 4.227 ( 2.655 -0.299 3.936) 4.757 4.325 ( 0.813 2.869 4.048) 5.028 4.442 ( 3.120 -2.373 -4.823) 6.216 4.476 ( -4.604 2.439 10.433) 11.662 4.626 ( -7.876 -9.038 5.879) 13.352 4.760 ( -3.156 7.955 0.362) 8.566 4.790 ( -6.394 2.693 -3.988) 8.003 4.899 ( -2.822 2.362 -0.682) 3.743 4.936 ( -6.114 3.091 4.706) 8.312 5.094 ( -1.791 7.074 -5.036) 8.866 5.175 ( -8.648 3.829 -1.954) 9.657 5.245 ( -3.039 -0.536 -4.327) 5.315 5.371 ( -1.961 -1.305 -0.229) 2.367 5.397 ( -7.271 2.719 -3.423) 8.484 5.521 ( -0.475 -3.041 -6.650) 7.328 5.583 ( -2.924 -0.639 0.930) 3.134 5.756 ( 0.443 5.216 -0.042) 5.235 5.835 ( -4.386 1.344 2.144) 5.064 5.866 ( -1.494 -1.509 -0.492) 2.180 5.979 ( 2.861 4.495 -0.577) 5.360 6.005 ( -3.155 -1.685 6.139) 7.105 6.152 ( -1.806 -2.335 1.758) 3.436 6.177 ( 1.210 1.046 -0.869) 1.820 6.228 ( 2.842 5.830 -3.229) 7.246 6.303 ( -1.683 -2.199 0.199) 2.777 6.365 ( 2.039 -1.001 1.935) 2.983 6.421 ( 2.515 -1.709 0.588) 3.097 6.477 ( -0.349 -1.424 -2.854) 3.208 6.479 ( -2.424 -1.455 -0.827) 2.946 6.666 ( -5.916 -0.070 2.287) 6.343 6.689 ( 5.945 -1.053 -1.464) 6.213 6.780 ( -0.447 -3.865 -4.257) 5.767 6.839 ( -5.427 0.863 -1.941) 5.828 6.968 ( -6.638 -0.257 1.938) 6.920 6.976 ( 3.384 2.664 -2.137) 4.808 6.994 ( -4.260 -2.727 -5.806) 7.700 7.114 ( -3.928 4.979 -3.018) 7.024 7.236 ( 2.724 -0.986 2.571) 3.874 7.358 ( -1.019 -1.880 -1.943) 2.889 7.480 ( 5.835 1.070 0.885) 5.998 7.598 ( -0.888 -3.870 -0.609) 4.017 7.785 ( -0.111 2.264 1.305) 2.616 7.832 ( -3.060 3.016 -5.187) 6.735 7.965 ( 8.320 -0.214 5.196) 9.811 8.074 ( 1.782 -4.100 -2.517) 5.131 8.191 ( 3.417 -1.621 2.356) 4.456 8.364 ( -1.302 3.580 1.719) 4.179 8.418 ( 4.345 1.513 -0.753) 4.662 8.495 ( 3.982 -6.006 -1.926) 7.459 8.623 ( 2.161 -5.123 0.180) 5.563 8.751 ( -3.517 -5.787 4.638) 8.207 8.947 ( 3.471 -2.578 1.427) 4.553 9.128 ( -6.279 -3.680 -3.065) 7.897 9.248 ( -2.039 0.981 0.530) 2.323 9.390 ( -6.480 -2.269 4.500) 8.209 10.939 ( -1.215 3.813 -0.503) 4.033 10.972 ( -1.957 3.565 -0.248) 4.074 11.113 ( 0.692 -4.114 0.788) 4.246 11.162 ( -1.191 -0.781 -2.049) 2.496 11.344 ( 1.904 3.634 -0.307) 4.114 11.459 ( -0.768 4.719 0.819) 4.851 11.597 ( 8.735 -4.035 -4.933) 10.812 11.769 ( -0.096 -5.897 6.715) 8.937 13.602 ( 6.855 2.163 1.245) 7.295 13.708 ( 2.511 -2.567 0.917) 3.706 13.820 ( -0.631 1.794 -4.486) 4.872 13.961 ( -5.358 -2.981 -2.416) 6.591 14.257 ( 0.286 5.018 1.816) 5.344 14.274 ( -1.527 1.965 0.940) 2.660 14.413 ( 0.956 -2.502 2.816) 3.886 14.569 ( -1.051 -3.530 -3.219) 4.891 14.706 ( -1.337 5.718 2.101) 6.237 14.829 ( -0.915 -0.281 -3.942) 4.057 15.126 ( 1.435 -5.218 3.069) 6.221 15.151 ( 1.758 -5.754 0.114) 6.018 22.767 ( -1.565 5.956 -1.135) 6.262 22.804 ( -3.787 6.479 1.213) 7.602 23.073 ( 0.985 -7.291 -1.166) 7.449 23.103 ( -1.337 -6.822 0.809) 6.999 24.448 ( 1.278 16.576 3.012) 16.896 24.556 ( 2.798 14.335 -4.075) 15.164 25.115 ( 1.702 -13.849 2.478) 14.172 25.189 ( 1.268 -14.925 -0.059) 14.979 25.795 ( -4.997 0.968 -0.768) 5.148 25.885 ( -6.490 -2.668 -5.131) 8.693 26.099 ( -1.183 -2.714 2.578) 3.926 26.206 ( -3.459 -6.141 -0.089) 7.049 27.129 ( -1.033 1.496 -2.255) 2.897 27.145 ( -2.463 2.367 0.493) 3.451 27.299 ( 0.455 -3.319 0.461) 3.382 27.336 ( -1.002 -3.396 1.552) 3.866 28.307 ( 2.662 2.878 4.184) 5.734 28.370 ( 2.853 0.599 0.894) 3.049 28.608 ( -4.001 2.117 -3.344) 5.628 28.657 ( -4.160 0.726 -6.120) 7.436 29.032 ( 8.804 5.044 2.868) 10.545 29.273 ( 8.305 -5.007 1.453) 9.806 29.403 ( -2.503 6.051 -0.454) 6.564 29.619 ( -3.684 -3.791 1.468) 5.486 31.989 ( 0.154 -0.289 0.623) 0.704 31.992 ( 0.565 -0.501 0.346) 0.831 32.110 ( 0.948 0.542 -0.415) 1.168 32.113 ( 1.296 0.414 -0.708) 1.533 35.230 ( 0.011 4.127 1.182) 4.293 35.263 ( 0.540 3.343 -1.678) 3.780 35.379 ( 0.361 -2.741 -0.094) 2.767 35.396 ( -0.332 -2.974 0.380) 3.017 39.286 ( -0.397 1.135 1.084) 1.619 39.293 ( 0.496 0.986 -1.178) 1.614 39.404 ( -1.446 -0.864 0.692) 1.821 39.420 ( -1.468 -1.546 -0.674) 2.236 46.986 ( -0.349 4.622 1.243) 4.799 47.018 ( 0.251 4.655 -1.594) 4.926 47.238 ( -0.176 -5.230 1.937) 5.580 47.284 ( 0.677 -5.770 -1.752) 6.068 65.114 ( 1.211 17.852 6.041) 18.885 65.379 ( 1.866 5.999 -12.309) 13.820 66.258 ( 9.398 4.211 -0.396) 10.305 66.578 ( -4.533 -10.106 4.562) 11.978 85.205 ( -1.378 0.696 0.656) 1.678 85.221 ( -1.176 0.317 -1.185) 1.699 85.358 ( -2.454 -1.694 -0.395) 3.008 85.427 ( -6.416 -5.579 0.722) 8.533 87.316 ( -1.328 1.704 2.244) 3.115 87.373 ( 0.153 -0.500 4.290) 4.321 87.436 ( -1.978 4.756 -1.288) 5.310 87.718 ( -3.418 -8.028 -8.256) 12.012 ======================= Grid point 154 (84/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 1.663 -7.605 -1.767) 7.983 2.509 ( 1.663 7.605 -1.767) 7.983 2.688 ( -1.303 -4.705 -0.409) 4.899 2.688 ( -1.303 4.705 -0.409) 4.899 2.907 ( -0.778 -4.301 -2.830) 5.206 2.907 ( -0.778 4.301 -2.830) 5.207 3.143 ( -1.393 -1.192 -2.255) 2.906 3.143 ( -1.393 1.192 -2.255) 2.906 3.544 ( -3.660 -5.730 3.574) 7.681 3.544 ( -3.660 5.730 3.574) 7.681 3.641 ( 5.838 -5.095 -2.464) 8.131 3.641 ( 5.838 5.095 -2.464) 8.131 3.996 ( -1.201 -1.836 0.837) 2.348 3.996 ( -1.201 1.836 0.837) 2.348 4.008 ( 1.893 -4.187 2.949) 5.460 4.008 ( 1.893 4.187 2.949) 5.460 4.171 ( -4.512 -3.966 2.759) 6.611 4.171 ( -4.512 3.966 2.759) 6.611 4.368 ( 0.451 -4.395 0.464) 4.442 4.368 ( 0.451 4.395 0.464) 4.442 4.479 ( 4.296 -5.583 12.743) 14.560 4.479 ( 4.296 5.583 12.743) 14.560 4.710 ( -2.459 -5.384 -10.239) 11.827 4.710 ( -2.459 5.384 -10.239) 11.827 4.924 ( 0.400 -0.210 -0.062) 0.456 4.924 ( 0.400 0.210 -0.062) 0.456 5.188 ( 1.308 -7.540 4.798) 9.033 5.188 ( 1.308 7.540 4.798) 9.033 5.330 ( -2.139 -3.328 -0.673) 4.013 5.330 ( -2.139 3.328 -0.673) 4.013 5.407 ( 2.713 -5.447 -5.218) 8.016 5.407 ( 2.713 5.447 -5.218) 8.016 5.679 ( 5.036 -5.954 -1.492) 7.940 5.679 ( 5.036 5.954 -1.492) 7.940 5.795 ( -3.231 -1.727 -0.740) 3.737 5.795 ( -3.231 1.727 -0.740) 3.737 6.075 ( 0.198 -5.413 3.546) 6.474 6.075 ( 0.198 5.413 3.546) 6.474 6.151 ( -0.232 -3.260 -2.472) 4.098 6.151 ( -0.232 3.260 -2.472) 4.098 6.252 ( 1.958 -5.523 3.109) 6.633 6.252 ( 1.958 5.523 3.109) 6.633 6.325 ( -4.490 -6.135 -2.788) 8.097 6.325 ( -4.490 6.135 -2.788) 8.097 6.486 ( 1.145 -1.889 0.032) 2.209 6.486 ( 1.145 1.889 0.032) 2.209 6.634 ( -2.414 -3.165 0.572) 4.021 6.634 ( -2.414 3.165 0.572) 4.021 6.773 ( 3.275 -1.238 0.800) 3.591 6.773 ( 3.275 1.238 0.800) 3.591 6.880 ( -2.294 -2.143 -3.555) 4.743 6.880 ( -2.294 2.143 -3.555) 4.743 7.071 ( -1.020 -1.157 -0.421) 1.599 7.071 ( -1.020 1.157 -0.421) 1.599 7.242 ( -0.747 -2.218 -1.800) 2.953 7.242 ( -0.747 2.218 -1.800) 2.953 7.627 ( 3.413 -2.459 2.227) 4.760 7.627 ( 3.413 2.459 2.227) 4.760 7.732 ( -3.995 -2.627 -3.967) 6.212 7.732 ( -3.995 2.627 -3.967) 6.212 8.152 ( 5.998 -1.380 4.140) 7.418 8.152 ( 5.998 1.380 4.140) 7.418 8.259 ( -3.202 -3.679 -2.188) 5.345 8.259 ( -3.202 3.679 -2.188) 5.346 8.473 ( -1.791 -4.214 0.619) 4.620 8.473 ( -1.791 4.214 0.619) 4.620 8.628 ( 0.791 -1.858 0.179) 2.027 8.628 ( 0.791 1.858 0.179) 2.027 8.988 ( 0.471 -1.557 -0.982) 1.900 8.988 ( 0.471 1.557 -0.982) 1.900 9.275 ( 0.397 -1.216 1.941) 2.324 9.275 ( 0.397 1.216 1.941) 2.324 11.001 ( -0.241 -1.117 -0.186) 1.158 11.001 ( -0.241 1.117 -0.186) 1.158 11.070 ( -0.199 -1.615 -0.176) 1.636 11.070 ( -0.199 1.615 -0.176) 1.636 11.526 ( -4.910 -6.060 2.616) 8.227 11.526 ( -4.910 6.060 2.616) 8.227 11.608 ( 5.090 -5.906 -1.426) 7.926 11.608 ( 5.090 5.906 -1.426) 7.926 13.741 ( 1.930 -0.797 2.589) 3.326 13.741 ( 1.930 0.797 2.589) 3.326 13.818 ( -2.345 -1.306 -3.858) 4.700 13.818 ( -2.345 1.306 -3.858) 4.700 14.332 ( 0.359 -4.357 3.146) 5.387 14.332 ( 0.359 4.357 3.146) 5.387 14.419 ( -0.109 -5.257 -3.016) 6.062 14.419 ( -0.109 5.257 -3.016) 6.062 14.808 ( 0.106 -1.964 -0.201) 1.977 14.808 ( 0.106 1.964 -0.201) 1.977 15.093 ( -0.003 -1.341 1.015) 1.682 15.093 ( -0.003 1.341 1.015) 1.682 22.903 ( -0.352 -3.626 0.168) 3.647 22.903 ( -0.352 3.626 0.168) 3.647 22.930 ( 0.316 -3.775 -0.223) 3.795 22.930 ( 0.316 3.775 -0.223) 3.795 24.785 ( -0.119 -6.412 0.738) 6.455 24.785 ( -0.119 6.412 0.738) 6.455 24.922 ( 0.306 -5.400 -0.345) 5.420 24.922 ( 0.306 5.400 -0.345) 5.420 25.757 ( -0.863 -0.816 -1.109) 1.624 25.757 ( -0.863 0.816 -1.109) 1.624 26.093 ( 0.505 -0.897 0.265) 1.063 26.093 ( 0.505 0.897 0.265) 1.063 27.139 ( -0.699 -0.289 -0.447) 0.878 27.139 ( -0.699 0.289 -0.447) 0.878 27.285 ( 0.675 -0.988 0.605) 1.341 27.285 ( 0.675 0.988 0.605) 1.341 28.418 ( 0.624 -1.598 4.820) 5.116 28.418 ( 0.624 1.598 4.820) 5.116 28.557 ( -1.216 -0.669 -6.002) 6.161 28.557 ( -1.216 0.669 -6.002) 6.161 29.279 ( 1.644 -1.276 1.046) 2.329 29.279 ( 1.644 1.276 1.046) 2.329 29.463 ( -0.773 -0.249 0.065) 0.814 29.463 ( -0.773 0.249 0.065) 0.814 31.991 ( -0.169 -0.129 0.495) 0.539 31.991 ( -0.169 0.129 0.495) 0.539 32.126 ( 0.190 -0.136 -0.566) 0.613 32.126 ( 0.190 0.136 -0.566) 0.613 35.310 ( -0.055 -2.096 0.236) 2.110 35.310 ( -0.055 2.096 0.236) 2.110 35.334 ( 0.034 -1.321 -0.271) 1.349 35.334 ( 0.034 1.321 -0.271) 1.349 39.300 ( 0.003 -0.577 0.016) 0.577 39.300 ( 0.003 0.577 0.016) 0.577 39.388 ( -0.017 -0.418 -0.011) 0.418 39.388 ( -0.017 0.418 -0.011) 0.418 47.076 ( -0.029 -1.984 0.133) 1.989 47.076 ( -0.029 1.984 0.133) 1.989 47.179 ( 0.028 -2.238 -0.168) 2.245 47.179 ( 0.028 2.238 -0.168) 2.245 65.354 ( -0.664 -5.073 -0.513) 5.141 65.354 ( -0.664 5.073 -0.513) 5.141 66.439 ( 1.034 -1.386 -0.403) 1.775 66.439 ( 1.034 1.386 -0.403) 1.775 85.204 ( -0.094 -0.547 -0.032) 0.556 85.204 ( -0.094 0.547 -0.032) 0.556 85.314 ( -0.027 -0.510 0.182) 0.542 85.314 ( -0.027 0.510 0.182) 0.542 87.373 ( 0.856 -2.179 3.793) 4.457 87.373 ( 0.856 2.179 3.793) 4.457 87.514 ( -1.039 -4.361 -4.318) 6.224 87.514 ( -1.039 4.361 -4.318) 6.224 ======================= Grid point 156 (85/90) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -4.582 -9.918 -3.923) 11.608 2.462 ( -4.582 9.918 -3.923) 11.608 2.678 ( -1.558 -6.622 2.312) 7.184 2.678 ( -1.558 6.622 2.312) 7.185 2.867 ( -3.125 -9.062 0.962) 9.634 2.867 ( -3.125 9.062 0.962) 9.634 3.089 ( -7.654 -1.922 0.224) 7.894 3.089 ( -7.654 1.922 0.224) 7.894 3.379 ( -5.605 -6.001 0.587) 8.232 3.379 ( -5.605 6.001 0.587) 8.232 3.681 ( -13.133 -5.429 -0.067) 14.211 3.681 ( -13.133 5.429 -0.067) 14.211 3.853 ( -2.464 -1.464 -1.785) 3.377 3.853 ( -2.464 1.464 -1.785) 3.377 3.933 ( -2.275 -6.402 2.509) 7.243 3.933 ( -2.275 6.402 2.509) 7.243 4.220 ( -8.274 -2.137 3.205) 9.126 4.220 ( -8.274 2.137 3.205) 9.126 4.357 ( 10.259 -8.406 0.888) 13.293 4.357 ( 10.259 8.406 0.888) 13.293 4.575 ( -3.115 -9.539 -1.819) 10.198 4.575 ( -3.115 9.539 -1.819) 10.198 4.797 ( 12.170 -1.633 0.010) 12.279 4.797 ( 12.170 1.633 0.010) 12.279 4.928 ( 2.811 -4.107 -1.439) 5.180 4.928 ( 2.811 4.107 -1.439) 5.181 5.272 ( 3.234 -7.074 3.688) 8.608 5.272 ( 3.234 7.074 3.688) 8.608 5.350 ( 4.787 -8.336 -7.381) 12.120 5.350 ( 4.787 8.336 -7.381) 12.120 5.472 ( 6.107 -6.614 0.894) 9.046 5.472 ( 6.107 6.614 0.894) 9.046 5.675 ( 0.334 -13.188 -5.420) 14.262 5.675 ( 0.334 13.188 -5.420) 14.262 5.854 ( 4.237 -3.940 1.633) 6.012 5.854 ( 4.237 3.940 1.633) 6.012 6.042 ( -0.536 -5.551 1.084) 5.681 6.042 ( -0.536 5.551 1.084) 5.681 6.202 ( -0.536 -3.495 0.849) 3.636 6.202 ( -0.536 3.495 0.849) 3.636 6.235 ( 1.690 -6.213 -2.038) 6.754 6.235 ( 1.690 6.213 -2.038) 6.754 6.306 ( -0.217 -6.951 4.948) 8.535 6.306 ( -0.217 6.951 4.948) 8.535 6.445 ( -1.887 -3.096 -1.408) 3.890 6.445 ( -1.887 3.096 -1.408) 3.890 6.673 ( -0.438 -1.946 3.528) 4.053 6.673 ( -0.438 1.946 3.528) 4.053 6.774 ( 1.577 -4.854 -4.337) 6.698 6.774 ( 1.577 4.854 -4.337) 6.698 6.897 ( 4.482 -1.202 2.058) 5.076 6.897 ( 4.482 1.202 2.058) 5.076 7.092 ( 1.887 -4.532 1.830) 5.239 7.092 ( 1.887 4.532 1.830) 5.239 7.254 ( 2.039 -2.136 0.573) 3.008 7.254 ( 2.039 2.136 0.573) 3.008 7.541 ( -6.980 -2.935 -2.131) 7.866 7.541 ( -6.980 2.935 -2.131) 7.866 7.777 ( 4.031 -1.048 2.042) 4.638 7.777 ( 4.031 1.048 2.042) 4.638 8.067 ( -7.839 -0.800 -4.948) 9.304 8.067 ( -7.839 0.800 -4.948) 9.304 8.306 ( -0.285 -6.694 0.056) 6.701 8.306 ( -0.285 6.694 0.056) 6.701 8.418 ( -3.596 -2.265 2.903) 5.147 8.418 ( -3.596 2.265 2.903) 5.147 8.633 ( -0.410 -4.766 -0.650) 4.827 8.633 ( -0.410 4.766 -0.650) 4.827 8.983 ( 1.463 -3.878 -0.463) 4.171 8.983 ( 1.463 3.878 -0.463) 4.171 9.361 ( 7.180 -5.086 -0.172) 8.801 9.361 ( 7.180 5.086 -0.172) 8.801 11.011 ( 1.213 -2.074 0.399) 2.436 11.011 ( 1.213 2.074 0.399) 2.436 11.067 ( -0.130 -1.252 0.410) 1.324 11.067 ( -0.130 1.252 0.410) 1.324 11.401 ( -8.450 -5.898 2.987) 10.729 11.401 ( -8.450 5.898 2.987) 10.729 11.698 ( 4.240 -9.846 -2.948) 11.118 11.698 ( 4.240 9.846 -2.948) 11.118 13.686 ( -5.582 -2.352 -1.588) 6.261 13.686 ( -5.582 2.352 -1.588) 6.261 13.825 ( 1.377 -4.679 1.873) 5.224 13.825 ( 1.377 4.679 1.873) 5.224 14.342 ( -0.377 -4.643 1.223) 4.816 14.342 ( -0.377 4.643 1.223) 4.816 14.423 ( 1.796 -3.889 -1.645) 4.588 14.423 ( 1.796 3.889 -1.645) 4.588 14.818 ( 1.098 -0.342 -0.333) 1.197 14.818 ( 1.098 0.342 -0.333) 1.197 15.074 ( -2.204 -1.728 0.490) 2.843 15.074 ( -2.204 1.728 0.490) 2.843 22.891 ( -0.244 -7.094 0.319) 7.106 22.891 ( -0.244 7.094 0.319) 7.106 22.972 ( 3.383 -6.925 -0.277) 7.712 22.972 ( 3.383 6.925 -0.277) 7.712 24.773 ( -1.505 -6.589 0.618) 6.787 24.773 ( -1.505 6.589 0.618) 6.787 24.900 ( -2.036 -6.734 -0.802) 7.081 24.900 ( -2.036 6.734 -0.802) 7.081 25.794 ( 4.488 -1.115 1.189) 4.775 25.794 ( 4.488 1.115 1.189) 4.775 26.123 ( 2.748 -2.483 -0.872) 3.805 26.123 ( 2.748 2.483 -0.872) 3.805 27.137 ( 0.197 -1.712 1.123) 2.057 27.137 ( 0.197 1.712 1.123) 2.057 27.302 ( 1.107 -2.292 -1.004) 2.737 27.302 ( 1.107 2.292 -1.004) 2.737 28.382 ( -4.379 -1.388 0.920) 4.685 28.382 ( -4.379 1.388 0.920) 4.685 28.595 ( 5.347 -0.090 -0.360) 5.360 28.595 ( 5.347 0.090 -0.360) 5.360 29.193 ( -8.111 -5.845 -1.970) 10.190 29.193 ( -8.111 5.845 -1.970) 10.190 29.521 ( 4.276 -6.084 0.841) 7.484 29.521 ( 4.276 6.084 0.841) 7.484 31.985 ( -0.703 -0.101 0.601) 0.931 31.985 ( -0.703 0.101 0.601) 0.931 32.118 ( -0.758 -0.145 -0.675) 1.026 32.118 ( -0.758 0.145 -0.675) 1.026 35.308 ( -0.204 -1.360 0.235) 1.395 35.308 ( -0.204 1.360 0.235) 1.395 35.334 ( 0.031 -0.101 -0.207) 0.232 35.334 ( 0.031 0.101 -0.207) 0.232 39.303 ( 0.338 -1.089 0.001) 1.141 39.303 ( 0.338 1.089 0.001) 1.141 39.397 ( 0.888 -0.821 0.021) 1.210 39.397 ( 0.888 0.821 0.021) 1.210 47.077 ( 0.067 -1.617 0.117) 1.622 47.077 ( 0.067 1.617 0.117) 1.622 47.176 ( -0.227 -1.706 -0.129) 1.726 47.176 ( -0.227 1.706 -0.129) 1.726 65.347 ( -0.184 -7.734 1.035) 7.805 65.347 ( -0.184 7.734 1.035) 7.805 66.414 ( -2.855 -11.183 -2.062) 11.725 66.414 ( -2.855 11.183 -2.062) 11.725 85.218 ( 1.627 -0.945 -0.142) 1.887 85.218 ( 1.627 0.945 -0.142) 1.887 85.351 ( 3.556 -2.096 0.391) 4.146 85.351 ( 3.556 2.096 0.391) 4.146 87.407 ( 1.172 -1.626 0.302) 2.027 87.407 ( 1.172 1.626 0.302) 2.027 87.493 ( 0.480 -0.729 -0.219) 0.900 87.493 ( 0.480 0.729 -0.219) 0.900 ======================= Grid point 158 (86/90) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -7.854 -12.930 -5.232) 16.008 2.322 ( -7.854 12.930 -5.232) 16.008 2.611 ( -15.970 -4.554 2.748) 16.832 2.611 ( -15.970 4.554 2.748) 16.832 2.691 ( -5.190 -7.104 4.267) 9.778 2.691 ( -5.190 7.104 4.267) 9.778 3.027 ( 0.418 -4.300 1.488) 4.570 3.027 ( 0.418 4.300 1.488) 4.570 3.316 ( -4.113 -7.217 -0.117) 8.307 3.316 ( -4.113 7.217 -0.117) 8.307 3.489 ( -3.560 -6.415 2.121) 7.637 3.489 ( -3.560 6.415 2.121) 7.637 3.739 ( -6.765 -5.253 2.033) 8.803 3.739 ( -6.765 5.253 2.033) 8.803 3.898 ( -7.297 -7.634 -6.057) 12.174 3.898 ( -7.297 7.634 -6.057) 12.174 4.171 ( 3.695 -2.648 0.847) 4.624 4.171 ( 3.695 2.648 0.847) 4.624 4.436 ( -3.502 -5.673 -3.735) 7.642 4.436 ( -3.502 5.673 -3.735) 7.642 4.606 ( 9.498 -7.158 4.862) 12.849 4.606 ( 9.498 7.158 4.862) 12.849 4.908 ( 2.873 -7.062 -4.833) 9.027 4.908 ( 2.873 7.062 -4.833) 9.027 5.040 ( 5.492 -7.514 0.092) 9.308 5.040 ( 5.492 7.514 0.092) 9.308 5.308 ( 1.233 -3.172 -4.237) 5.434 5.308 ( 1.233 3.172 -4.237) 5.434 5.393 ( 3.776 -1.513 -1.321) 4.277 5.393 ( 3.776 1.513 -1.321) 4.277 5.622 ( 4.772 -0.957 1.275) 5.032 5.622 ( 4.772 0.957 1.275) 5.032 5.709 ( 6.302 -6.606 0.888) 9.173 5.709 ( 6.302 6.606 0.888) 9.173 5.862 ( -1.420 -3.787 0.946) 4.154 5.862 ( -1.420 3.787 0.946) 4.154 6.085 ( -0.071 -7.208 1.160) 7.301 6.085 ( -0.071 7.208 1.160) 7.301 6.200 ( -3.368 -3.281 -0.243) 4.708 6.200 ( -3.368 3.281 -0.243) 4.708 6.241 ( 6.214 -7.439 -4.697) 10.771 6.241 ( 6.214 7.439 -4.697) 10.771 6.353 ( 4.586 -3.791 2.302) 6.379 6.353 ( 4.586 3.791 2.302) 6.379 6.475 ( 3.297 -3.114 3.432) 5.687 6.475 ( 3.297 3.114 3.432) 5.687 6.624 ( -2.758 -4.235 0.096) 5.055 6.624 ( -2.758 4.235 0.096) 5.055 6.808 ( 0.392 -3.714 1.723) 4.113 6.808 ( 0.392 3.714 1.723) 4.113 7.009 ( 3.290 -0.732 -0.320) 3.385 7.009 ( 3.290 0.732 -0.320) 3.385 7.126 ( 1.487 -3.482 4.757) 6.080 7.126 ( 1.487 3.482 4.757) 6.080 7.293 ( 2.046 -6.360 -0.655) 6.713 7.293 ( 2.046 6.360 -0.655) 6.713 7.463 ( -0.383 -9.699 1.315) 9.795 7.463 ( -0.383 9.699 1.315) 9.795 7.811 ( -2.720 -3.073 -1.196) 4.274 7.811 ( -2.720 3.073 -1.196) 4.274 7.919 ( -3.855 -2.205 -2.843) 5.273 7.919 ( -3.855 2.205 -2.843) 5.273 8.185 ( -9.843 -8.236 -0.200) 12.836 8.185 ( -9.843 8.236 -0.200) 12.836 8.392 ( -0.934 -1.819 -0.029) 2.045 8.392 ( -0.934 1.819 -0.029) 2.045 8.574 ( -4.784 -4.928 -2.046) 7.166 8.574 ( -4.784 4.928 -2.046) 7.166 9.093 ( 8.712 -4.238 2.961) 10.131 9.093 ( 8.712 4.238 2.961) 10.131 9.484 ( 5.847 -3.925 -3.202) 7.736 9.484 ( 5.847 3.925 -3.202) 7.736 11.033 ( 0.687 -3.173 -0.332) 3.263 11.033 ( 0.687 3.173 -0.332) 3.263 11.083 ( 1.388 -5.014 2.206) 5.651 11.083 ( 1.388 5.014 2.206) 5.651 11.280 ( -6.022 -3.584 4.898) 8.550 11.280 ( -6.022 3.584 4.898) 8.550 11.711 ( -0.693 -8.206 -5.822) 10.086 11.711 ( -0.693 8.206 -5.822) 10.086 13.578 ( -4.785 -3.294 -1.878) 6.105 13.578 ( -4.785 3.294 -1.878) 6.105 13.855 ( 0.599 -6.276 3.595) 7.257 13.855 ( 0.599 6.276 3.595) 7.257 14.337 ( -0.460 -3.333 -0.089) 3.365 14.337 ( -0.460 3.333 -0.089) 3.365 14.456 ( 2.044 -3.147 -0.813) 3.839 14.456 ( 2.044 3.147 -0.813) 3.839 14.839 ( 1.164 -0.544 -0.521) 1.386 14.839 ( 1.164 0.544 -0.521) 1.386 15.030 ( -2.511 -1.411 0.222) 2.889 15.030 ( -2.511 1.411 0.222) 2.889 22.898 ( 0.553 -5.358 0.409) 5.402 22.898 ( 0.553 5.358 0.409) 5.402 23.034 ( 3.210 -4.983 -0.296) 5.935 23.034 ( 3.210 4.983 -0.296) 5.935 24.745 ( -1.657 -10.455 1.037) 10.636 24.745 ( -1.657 10.455 1.037) 10.636 24.851 ( -2.401 -11.259 -1.581) 11.621 24.851 ( -2.401 11.259 -1.581) 11.621 25.907 ( 5.883 -2.175 3.052) 6.975 25.907 ( 5.883 2.175 3.052) 6.975 26.172 ( 2.987 -4.117 -1.954) 5.449 26.172 ( 2.987 4.117 -1.954) 5.449 27.155 ( 0.720 -2.721 2.713) 3.909 27.155 ( 0.720 2.721 2.713) 3.909 27.311 ( 0.746 -3.328 -2.571) 4.271 27.311 ( 0.746 3.328 -2.571) 4.271 28.316 ( -2.808 -1.124 0.608) 3.086 28.316 ( -2.808 1.124 0.608) 3.086 28.697 ( 5.015 -0.323 0.594) 5.060 28.697 ( 5.015 0.323 0.594) 5.060 29.024 ( -8.180 -4.840 -2.465) 9.819 29.024 ( -8.180 4.840 -2.465) 9.819 29.584 ( 2.193 -4.534 0.318) 5.047 29.584 ( 2.193 4.534 0.318) 5.047 31.974 ( -0.694 -0.018 0.776) 1.041 31.974 ( -0.694 0.018 0.776) 1.041 32.096 ( -1.069 -0.177 -0.854) 1.380 32.096 ( -1.069 0.177 -0.854) 1.380 35.306 ( -0.149 -1.121 0.260) 1.160 35.306 ( -0.149 1.121 0.260) 1.160 35.333 ( -0.042 -0.384 -0.187) 0.429 35.333 ( -0.042 0.384 -0.187) 0.429 39.310 ( 0.419 -1.344 -0.009) 1.408 39.310 ( 0.419 1.344 -0.009) 1.408 39.416 ( 1.065 -1.105 0.036) 1.535 39.416 ( 1.065 1.105 0.036) 1.535 47.079 ( 0.115 -1.488 0.106) 1.496 47.079 ( 0.115 1.488 0.106) 1.496 47.170 ( -0.299 -1.487 -0.105) 1.520 47.170 ( -0.299 1.487 -0.105) 1.520 65.358 ( 0.504 -10.306 2.427) 10.600 65.358 ( 0.504 10.306 2.427) 10.600 66.330 ( -4.372 -15.483 -3.334) 16.431 66.330 ( -4.372 15.483 -3.334) 16.431 85.254 ( 2.095 -1.228 -0.484) 2.476 85.254 ( 2.095 1.228 -0.484) 2.476 85.430 ( 4.157 -2.272 0.724) 4.792 85.430 ( 4.157 2.272 0.724) 4.792 87.410 ( 0.158 -2.161 -2.552) 3.348 87.410 ( 0.158 2.161 -2.552) 3.348 87.530 ( 2.124 -2.655 3.016) 4.545 87.530 ( 2.124 2.655 3.016) 4.545 ======================= Grid point 160 (87/90) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -2.074 -9.853 -4.527) 11.040 2.187 ( -2.074 9.853 -4.527) 11.040 2.293 ( -13.163 -5.422 -0.288) 14.239 2.293 ( -13.163 5.422 -0.288) 14.239 2.726 ( 2.184 -2.964 6.783) 7.717 2.726 ( 2.184 2.964 6.783) 7.717 3.041 ( 0.902 -6.662 4.878) 8.306 3.041 ( 0.902 6.662 4.878) 8.306 3.268 ( -2.599 -7.173 -4.540) 8.878 3.268 ( -2.599 7.173 -4.540) 8.878 3.488 ( 1.203 -4.386 1.294) 4.729 3.488 ( 1.203 4.386 1.294) 4.729 3.645 ( -4.520 -10.465 5.123) 12.498 3.645 ( -4.520 10.465 5.123) 12.498 3.755 ( -2.660 -9.171 -8.194) 12.583 3.755 ( -2.660 9.172 -8.194) 12.583 4.203 ( -2.118 -6.335 5.535) 8.675 4.203 ( -2.118 6.335 5.535) 8.675 4.369 ( -0.563 -6.582 -7.860) 10.267 4.369 ( -0.563 6.582 -7.860) 10.267 4.798 ( 6.227 -5.229 5.265) 9.687 4.798 ( 6.227 5.229 5.265) 9.687 4.921 ( 1.009 -5.467 -3.812) 6.741 4.921 ( 1.009 5.467 -3.812) 6.741 5.100 ( 4.075 -5.425 -1.588) 6.968 5.100 ( 4.075 5.425 -1.588) 6.968 5.266 ( -4.790 -3.999 -2.321) 6.657 5.266 ( -4.790 3.999 -2.321) 6.657 5.450 ( 3.181 -1.900 -2.262) 4.341 5.450 ( 3.181 1.900 -2.262) 4.341 5.694 ( 3.176 -4.809 2.286) 6.200 5.694 ( 3.176 4.809 2.286) 6.200 5.792 ( 0.620 -3.219 1.478) 3.596 5.792 ( 0.620 3.219 1.478) 3.596 5.886 ( 1.443 -4.194 -1.268) 4.613 5.886 ( 1.443 4.194 -1.268) 4.613 6.051 ( -3.190 -3.430 4.329) 6.378 6.051 ( -3.190 3.430 4.329) 6.378 6.118 ( -0.066 -4.324 -4.124) 5.976 6.118 ( -0.066 4.324 -4.124) 5.976 6.375 ( 2.920 -0.676 2.567) 3.947 6.375 ( 2.920 0.676 2.567) 3.947 6.436 ( 3.860 -2.995 -1.608) 5.143 6.436 ( 3.860 2.995 -1.608) 5.143 6.547 ( -0.651 -2.463 1.078) 2.766 6.547 ( -0.651 2.463 1.078) 2.767 6.602 ( 2.665 -6.265 1.344) 6.939 6.602 ( 2.665 6.265 1.344) 6.939 6.835 ( 3.152 -5.028 0.882) 5.999 6.835 ( 3.152 5.028 0.882) 5.999 6.939 ( -6.431 -3.146 1.724) 7.364 6.939 ( -6.431 3.146 1.724) 7.364 7.236 ( 4.739 -4.271 0.918) 6.445 7.236 ( 4.739 4.271 0.918) 6.445 7.332 ( 1.724 -8.305 -0.227) 8.485 7.332 ( 1.724 8.305 -0.227) 8.485 7.490 ( 1.213 -11.295 3.456) 11.874 7.490 ( 1.213 11.295 3.456) 11.874 7.702 ( -3.663 -5.405 -6.453) 9.180 7.702 ( -3.663 5.405 -6.453) 9.180 7.893 ( -0.592 -3.853 2.542) 4.653 7.893 ( -0.592 3.853 2.542) 4.653 8.015 ( -6.667 -7.661 -1.978) 10.347 8.015 ( -6.667 7.661 -1.978) 10.347 8.388 ( 0.478 -0.315 -1.131) 1.268 8.388 ( 0.478 0.315 -1.131) 1.268 8.485 ( -3.094 -3.688 -0.664) 4.859 8.485 ( -3.094 3.688 -0.664) 4.859 9.269 ( 7.186 -1.914 5.340) 9.155 9.269 ( 7.186 1.914 5.340) 9.155 9.508 ( -1.327 -1.709 -5.887) 6.272 9.508 ( -1.327 1.709 -5.887) 6.272 11.043 ( 0.434 -1.538 0.911) 1.839 11.043 ( 0.434 1.538 0.911) 1.839 11.104 ( -0.225 -3.060 -0.744) 3.157 11.104 ( -0.225 3.060 -0.744) 3.157 11.271 ( 1.712 -3.827 9.596) 10.472 11.271 ( 1.712 3.827 9.596) 10.472 11.625 ( -4.038 -5.622 -8.717) 11.131 11.625 ( -4.038 5.622 -8.717) 11.131 13.507 ( -1.879 -1.304 -1.416) 2.690 13.507 ( -1.879 1.304 -1.416) 2.690 13.885 ( 0.737 -4.446 3.297) 5.584 13.885 ( 0.737 4.446 3.297) 5.584 14.325 ( -0.733 -2.359 -0.029) 2.470 14.325 ( -0.733 2.359 -0.029) 2.470 14.482 ( 1.258 -1.781 -1.023) 2.408 14.482 ( 1.258 1.781 -1.023) 2.408 14.852 ( 0.476 -0.672 -0.457) 0.942 14.852 ( 0.476 0.672 -0.457) 0.942 14.995 ( -1.161 -1.186 0.246) 1.678 14.995 ( -1.161 1.186 0.246) 1.678 22.909 ( 0.339 -2.870 0.381) 2.915 22.909 ( 0.339 2.870 0.381) 2.915 23.076 ( 1.300 -2.528 -0.275) 2.856 23.076 ( 1.300 2.528 -0.275) 2.856 24.731 ( -0.474 -12.927 1.704) 13.048 24.731 ( -0.474 12.927 1.704) 13.048 24.806 ( -1.307 -13.226 -2.187) 13.469 24.806 ( -1.307 13.226 -2.187) 13.469 26.011 ( 3.150 -2.821 3.531) 5.509 26.011 ( 3.150 2.821 3.531) 5.509 26.200 ( 0.924 -4.518 -2.537) 5.263 26.200 ( 0.924 4.518 -2.537) 5.263 27.187 ( 0.844 -3.323 3.976) 5.250 27.187 ( 0.844 3.323 3.976) 5.250 27.300 ( -0.240 -3.742 -3.807) 5.344 27.300 ( -0.240 3.742 -3.807) 5.344 28.289 ( -0.781 -0.829 1.118) 1.597 28.289 ( -0.781 0.829 1.118) 1.597 28.757 ( 1.123 -0.073 -1.759) 2.089 28.757 ( 1.123 0.073 -1.759) 2.089 28.910 ( -2.360 -1.956 -0.496) 3.105 28.910 ( -2.360 1.956 -0.496) 3.105 29.606 ( 0.229 -1.710 0.239) 1.742 29.606 ( 0.229 1.710 0.239) 1.742 31.969 ( -0.347 -0.165 0.918) 0.995 31.969 ( -0.347 0.165 0.918) 0.995 32.076 ( -0.405 -0.195 -0.997) 1.093 32.076 ( -0.405 0.195 -0.997) 1.093 35.306 ( -0.096 -1.712 0.297) 1.740 35.306 ( -0.096 1.712 0.297) 1.740 35.332 ( 0.022 -0.990 -0.228) 1.016 35.332 ( 0.022 0.990 -0.228) 1.016 39.316 ( 0.180 -1.186 -0.005) 1.199 39.316 ( 0.180 1.186 -0.005) 1.199 39.431 ( 0.470 -1.089 0.022) 1.186 39.431 ( 0.470 1.089 0.022) 1.186 47.081 ( 0.050 -1.729 0.105) 1.733 47.081 ( 0.050 1.729 0.105) 1.733 47.166 ( -0.124 -1.745 -0.105) 1.753 47.166 ( -0.124 1.745 -0.105) 1.753 65.385 ( 0.847 -9.908 2.576) 10.272 65.385 ( 0.847 9.908 2.576) 10.272 66.245 ( -2.518 -11.899 -3.258) 12.591 66.245 ( -2.518 11.899 -3.258) 12.591 85.281 ( 0.964 -1.118 -0.598) 1.593 85.281 ( 0.964 1.118 -0.598) 1.593 85.491 ( 1.748 -0.989 0.755) 2.146 85.491 ( 1.748 0.989 0.755) 2.146 87.397 ( -0.615 -1.555 -1.163) 2.037 87.397 ( -0.615 1.555 -1.163) 2.037 87.581 ( 1.837 -0.293 1.509) 2.395 87.581 ( 1.837 0.293 1.509) 2.395 ======================= Grid point 162 (88/90) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 1.851 -11.406 -0.545) 11.568 2.153 ( 1.851 11.406 -0.545) 11.568 2.305 ( 13.257 -5.640 -2.035) 14.549 2.305 ( 13.257 5.640 -2.035) 14.549 2.797 ( 2.777 -2.167 0.055) 3.523 2.797 ( 2.777 2.167 0.055) 3.523 3.126 ( 4.405 -1.731 7.698) 9.037 3.126 ( 4.405 1.731 7.698) 9.037 3.161 ( -4.147 -6.367 -6.003) 9.684 3.161 ( -4.147 6.367 -6.003) 9.684 3.493 ( -1.273 -1.544 3.076) 3.669 3.493 ( -1.273 1.544 3.076) 3.669 3.656 ( 1.201 -3.140 -0.591) 3.413 3.656 ( 1.201 3.140 -0.591) 3.413 3.725 ( 3.896 -6.550 -2.383) 7.985 3.725 ( 3.896 6.550 -2.383) 7.985 4.206 ( -1.502 -8.934 7.894) 12.016 4.206 ( -1.502 8.934 7.894) 12.016 4.321 ( -0.099 -4.313 -5.530) 7.013 4.321 ( -0.099 4.313 -5.530) 7.013 4.796 ( -6.848 -3.756 3.591) 8.597 4.796 ( -6.848 3.756 3.591) 8.597 4.941 ( 0.915 -6.829 -4.426) 8.189 4.941 ( 0.915 6.829 -4.426) 8.189 5.081 ( -5.665 -6.172 0.155) 8.379 5.081 ( -5.665 6.172 0.155) 8.379 5.264 ( 5.824 -2.302 -1.955) 6.561 5.264 ( 5.824 2.302 -1.955) 6.561 5.461 ( -0.420 -3.633 -3.162) 4.834 5.461 ( -0.420 3.633 -3.162) 4.834 5.714 ( -3.712 -2.675 0.789) 4.643 5.714 ( -3.712 2.675 0.789) 4.643 5.773 ( -2.998 -2.536 3.153) 5.036 5.773 ( -2.998 2.536 3.153) 5.036 5.886 ( 1.979 -2.387 -1.396) 3.400 5.886 ( 1.979 2.387 -1.396) 3.400 6.054 ( -0.861 -4.038 2.174) 4.667 6.054 ( -0.861 4.038 2.174) 4.667 6.122 ( 2.328 -2.850 -2.719) 4.575 6.122 ( 2.328 2.850 -2.719) 4.575 6.314 ( -11.036 -2.451 5.831) 12.720 6.314 ( -11.036 2.451 5.831) 12.720 6.462 ( -0.540 -3.297 -0.886) 3.457 6.462 ( -0.540 3.297 -0.886) 3.457 6.527 ( 1.975 -2.715 1.417) 3.644 6.527 ( 1.975 2.715 1.417) 3.644 6.665 ( 0.004 -2.083 -4.175) 4.666 6.665 ( 0.004 2.083 -4.175) 4.666 6.823 ( -2.457 -3.684 1.949) 4.838 6.823 ( -2.457 3.684 1.949) 4.838 6.970 ( 6.428 -2.949 -0.677) 7.104 6.970 ( 6.428 2.949 -0.677) 7.104 7.251 ( -0.817 -2.068 -0.955) 2.419 7.251 ( -0.817 2.068 -0.955) 2.419 7.328 ( -3.931 -3.089 1.006) 5.100 7.328 ( -3.931 3.089 1.006) 5.100 7.539 ( 2.893 -1.908 1.806) 3.908 7.539 ( 2.893 1.908 1.806) 3.908 7.653 ( 0.417 -3.925 -5.438) 6.719 7.653 ( 0.417 3.925 -5.438) 6.719 7.935 ( 3.197 -0.606 0.853) 3.364 7.935 ( 3.197 0.606 0.853) 3.364 7.977 ( 5.491 -6.996 -0.139) 8.895 7.977 ( 5.491 6.996 -0.139) 8.895 8.370 ( -1.670 -2.140 -0.106) 2.717 8.370 ( -1.670 2.140 -0.106) 2.717 8.480 ( 2.017 -1.083 0.245) 2.302 8.480 ( 2.017 1.083 0.245) 2.302 9.367 ( -4.178 -1.889 -0.278) 4.594 9.367 ( -4.178 1.889 -0.278) 4.594 9.399 ( -2.607 -0.655 0.775) 2.798 9.399 ( -2.607 0.655 0.775) 2.798 11.042 ( -1.338 -0.607 1.259) 1.935 11.042 ( -1.338 0.607 1.259) 1.935 11.103 ( 0.997 -0.883 -0.886) 1.600 11.103 ( 0.997 0.883 -0.886) 1.600 11.384 ( 3.883 -1.669 5.499) 6.935 11.384 ( 3.883 1.669 5.499) 6.935 11.520 ( -1.463 -4.077 -5.295) 6.841 11.520 ( -1.463 4.077 -5.295) 6.841 13.500 ( 1.685 -2.096 -0.682) 2.775 13.500 ( 1.685 2.096 -0.682) 2.775 13.909 ( 0.607 -2.068 0.989) 2.372 13.909 ( 0.607 2.068 0.989) 2.372 14.311 ( -1.056 -1.321 1.176) 2.060 14.311 ( -1.056 1.321 1.176) 2.060 14.490 ( 0.249 -3.275 -1.631) 3.668 14.490 ( 0.249 3.275 -1.631) 3.668 14.850 ( -0.501 -2.371 -0.252) 2.437 14.850 ( -0.501 2.371 -0.252) 2.437 14.993 ( 0.671 -1.889 0.494) 2.065 14.993 ( 0.671 1.889 0.494) 2.065 22.911 ( -0.319 -0.192 0.221) 0.433 22.911 ( -0.319 0.192 0.221) 0.433 23.075 ( -1.267 -0.331 -0.196) 1.324 23.075 ( -1.267 0.331 -0.196) 1.324 24.741 ( 0.410 -12.853 1.390) 12.935 24.741 ( 0.410 12.853 1.390) 12.935 24.792 ( 1.120 -11.656 -1.499) 11.806 24.792 ( 1.120 11.656 -1.499) 11.806 26.038 ( -1.985 -3.224 1.630) 4.122 26.038 ( -1.985 3.224 1.630) 4.122 26.182 ( -1.510 -4.137 -1.447) 4.635 26.182 ( -1.510 4.137 -1.447) 4.635 27.220 ( 0.314 -3.551 4.198) 5.507 27.220 ( 0.314 3.551 4.198) 5.507 27.268 ( -0.928 -3.756 -4.098) 5.635 27.268 ( -0.928 3.756 -4.098) 5.635 28.291 ( 0.288 -1.074 0.945) 1.460 28.291 ( 0.288 1.075 0.945) 1.460 28.747 ( -0.340 -1.240 -0.789) 1.509 28.747 ( -0.340 1.240 -0.789) 1.509 28.919 ( 2.709 -2.364 -1.358) 3.843 28.919 ( 2.709 2.364 -1.358) 3.843 29.601 ( -1.024 -1.317 0.777) 1.840 29.601 ( -1.024 1.317 0.777) 1.840 31.970 ( -0.030 -0.256 0.843) 0.881 31.970 ( -0.030 0.256 0.843) 0.881 32.075 ( 0.821 -0.189 -0.919) 1.247 32.075 ( 0.821 0.189 -0.919) 1.247 35.305 ( -0.085 -2.559 0.309) 2.579 35.305 ( -0.085 2.559 0.309) 2.579 35.332 ( 0.178 -1.936 -0.280) 1.964 35.332 ( 0.178 1.936 -0.280) 1.964 39.316 ( -0.196 -0.749 0.009) 0.774 39.316 ( -0.196 0.749 0.009) 0.774 39.432 ( -0.434 -0.867 -0.013) 0.969 39.432 ( -0.434 0.867 -0.013) 0.969 47.082 ( -0.103 -2.170 0.101) 2.175 47.082 ( -0.103 2.170 0.101) 2.175 47.166 ( 0.191 -2.286 -0.111) 2.297 47.166 ( 0.191 2.286 -0.111) 2.297 65.404 ( 0.160 -7.963 0.839) 8.009 65.404 ( 0.160 7.964 0.839) 8.009 66.223 ( 1.659 -6.301 -1.364) 6.657 66.223 ( 1.659 6.301 -1.364) 6.657 85.280 ( -0.717 -0.891 -0.529) 1.260 85.280 ( -0.717 0.891 -0.529) 1.260 85.493 ( -1.930 -1.452 0.577) 2.483 85.493 ( -1.930 1.452 0.577) 2.483 87.376 ( -1.438 -0.838 0.778) 1.837 87.376 ( -1.438 0.838 0.778) 1.837 87.606 ( 0.721 -4.209 -0.937) 4.372 87.606 ( 0.721 4.209 -0.937) 4.372 ======================= Grid point 164 (89/90) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 10.207 -16.633 -0.842) 19.533 2.282 ( 10.207 16.633 -0.842) 19.533 2.608 ( 15.984 -8.261 1.531) 18.058 2.608 ( 15.984 8.261 1.531) 18.058 2.810 ( 1.754 -3.151 -6.135) 7.116 2.810 ( 1.754 3.151 -6.135) 7.116 3.109 ( 1.329 -7.417 -5.879) 9.557 3.109 ( 1.329 7.417 -5.879) 9.557 3.268 ( 8.011 -1.811 4.296) 9.269 3.268 ( 8.011 1.811 4.296) 9.269 3.509 ( 2.822 -2.929 -0.550) 4.104 3.509 ( 2.822 2.929 -0.550) 4.104 3.690 ( 3.723 -10.123 5.432) 12.077 3.690 ( 3.723 10.123 5.433) 12.077 3.832 ( 4.809 -4.630 1.249) 6.791 3.832 ( 4.809 4.630 1.249) 6.791 4.157 ( -4.146 -6.368 4.221) 8.692 4.157 ( -4.146 6.368 4.221) 8.692 4.368 ( 3.596 -6.584 2.730) 7.983 4.368 ( 3.596 6.584 2.730) 7.983 4.652 ( -10.050 -2.172 0.057) 10.282 4.652 ( -10.050 2.172 0.057) 10.282 4.857 ( -4.359 -7.301 -0.847) 8.545 4.857 ( -4.359 7.301 -0.847) 8.545 5.054 ( 0.742 -6.640 -1.685) 6.890 5.054 ( 0.742 6.640 -1.685) 6.890 5.267 ( -5.938 -2.659 -0.869) 6.564 5.267 ( -5.938 2.659 -0.869) 6.564 5.436 ( -0.015 -1.971 -4.548) 4.957 5.436 ( -0.015 1.971 -4.548) 4.957 5.631 ( -3.271 -7.961 0.788) 8.643 5.631 ( -3.271 7.961 0.788) 8.643 5.711 ( -9.438 -2.328 1.390) 9.820 5.711 ( -9.438 2.328 1.390) 9.820 5.855 ( -1.316 -1.040 0.626) 1.791 5.855 ( -1.316 1.040 0.626) 1.791 6.080 ( 0.759 -4.118 0.731) 4.251 6.080 ( 0.759 4.118 0.731) 4.251 6.125 ( -5.239 -5.755 6.226) 9.967 6.125 ( -5.239 5.755 6.226) 9.967 6.210 ( 3.961 -1.710 -0.599) 4.355 6.210 ( 3.961 1.710 -0.599) 4.355 6.399 ( -4.781 -3.349 -1.947) 6.154 6.399 ( -4.781 3.349 -1.947) 6.154 6.552 ( -1.929 -3.227 -3.237) 4.961 6.552 ( -1.929 3.227 -3.237) 4.961 6.631 ( 2.022 -4.745 -1.538) 5.382 6.631 ( 2.022 4.745 -1.538) 5.382 6.812 ( -1.096 -4.324 1.866) 4.836 6.812 ( -1.096 4.324 1.866) 4.836 7.021 ( -2.499 -0.319 -1.090) 2.745 7.021 ( -2.499 0.319 -1.090) 2.745 7.212 ( -4.015 -4.788 -2.283) 6.653 7.212 ( -4.015 4.788 -2.283) 6.653 7.278 ( 2.727 -3.769 -0.082) 4.653 7.278 ( 2.727 3.769 -0.082) 4.653 7.531 ( -3.760 -10.121 -6.237) 12.469 7.531 ( -3.760 10.121 -6.237) 12.469 7.721 ( 7.990 -3.635 6.589) 10.976 7.721 ( 7.990 3.635 6.589) 10.976 7.968 ( 0.800 -4.551 -5.841) 7.448 7.968 ( 0.800 4.551 -5.841) 7.448 8.175 ( 11.795 -6.925 0.733) 13.697 8.175 ( 11.795 6.925 0.733) 13.697 8.369 ( 2.358 -1.424 1.983) 3.394 8.369 ( 2.358 1.424 1.983) 3.394 8.527 ( 2.011 -2.936 2.472) 4.333 8.527 ( 2.011 2.936 2.472) 4.333 9.172 ( -10.007 -5.886 -5.275) 12.752 9.172 ( -10.007 5.886 -5.275) 12.752 9.392 ( -4.169 -3.550 6.211) 8.281 9.392 ( -4.169 3.550 6.211) 8.281 11.025 ( -0.771 -2.429 0.600) 2.618 11.025 ( -0.771 2.429 0.600) 2.618 11.107 ( -0.651 -4.492 -0.561) 4.574 11.107 ( -0.651 4.492 -0.561) 4.574 11.408 ( 2.879 -5.477 -7.536) 9.750 11.408 ( 2.879 5.477 -7.536) 9.750 11.572 ( 2.592 -5.501 7.921) 9.986 11.572 ( 2.592 5.501 7.921) 9.986 13.557 ( 4.506 -3.791 0.243) 5.893 13.557 ( 4.506 3.791 0.243) 5.893 13.912 ( -0.102 -4.089 -1.992) 4.549 13.912 ( -0.102 4.089 -1.992) 4.549 14.302 ( -0.863 -1.374 2.823) 3.256 14.302 ( -0.863 1.374 2.823) 3.256 14.476 ( -0.658 -5.534 -2.355) 6.051 14.476 ( -0.658 5.534 -2.355) 6.051 14.834 ( -0.989 -3.589 -0.115) 3.724 14.834 ( -0.989 3.589 -0.115) 3.724 15.022 ( 2.001 -1.870 0.932) 2.893 15.022 ( 2.001 1.870 0.932) 2.893 22.902 ( -0.593 -2.519 0.024) 2.588 22.902 ( -0.593 2.519 0.024) 2.588 23.032 ( -3.157 -2.469 -0.096) 4.008 23.032 ( -3.157 2.469 -0.096) 4.008 24.755 ( 0.747 -11.936 0.355) 11.965 24.755 ( 0.747 11.936 0.355) 11.965 24.832 ( 3.196 -10.806 0.001) 11.269 24.832 ( 3.196 10.806 0.001) 11.269 25.958 ( -6.097 -3.546 -1.549) 7.222 25.958 ( -6.097 3.546 -1.549) 7.222 26.141 ( -2.529 -4.171 0.722) 4.931 26.141 ( -2.529 4.171 0.722) 4.931 27.210 ( -1.835 -2.438 -2.023) 3.661 27.210 ( -1.835 2.438 -2.023) 3.661 27.257 ( 0.256 -2.980 2.097) 3.653 27.257 ( 0.256 2.980 2.097) 3.653 28.310 ( 1.404 -1.755 1.156) 2.528 28.310 ( 1.404 1.755 1.156) 2.528 28.725 ( -2.109 -1.710 -1.936) 3.334 28.725 ( -2.109 1.710 -1.936) 3.334 28.999 ( 6.907 -5.136 -0.246) 8.611 28.999 ( 6.907 5.136 -0.246) 8.611 29.576 ( -2.285 -3.972 1.106) 4.714 29.576 ( -2.285 3.972 1.106) 4.714 31.976 ( 0.318 -0.142 0.626) 0.716 31.976 ( 0.318 0.142 0.626) 0.716 32.094 ( 1.484 -0.088 -0.697) 1.642 32.094 ( 1.484 0.088 -0.697) 1.642 35.306 ( 0.010 -2.855 0.276) 2.868 35.306 ( 0.010 2.855 0.276) 2.868 35.334 ( 0.187 -2.396 -0.301) 2.422 35.334 ( 0.187 2.396 -0.301) 2.422 39.310 ( -0.425 -0.333 0.022) 0.541 39.310 ( -0.425 0.333 0.022) 0.541 39.417 ( -1.056 -0.609 -0.041) 1.220 39.417 ( -1.056 0.609 -0.041) 1.220 47.079 ( -0.182 -2.423 0.110) 2.432 47.079 ( -0.182 2.423 0.110) 2.432 47.171 ( 0.381 -2.683 -0.137) 2.713 47.171 ( 0.381 2.683 -0.137) 2.713 65.397 ( -0.744 -7.996 -1.127) 8.109 65.397 ( -0.744 7.996 -1.127) 8.109 66.286 ( 4.920 -9.838 0.608) 11.017 66.286 ( 4.920 9.838 0.608) 11.017 85.253 ( -1.750 -0.725 -0.442) 1.945 85.253 ( -1.750 0.725 -0.442) 1.945 85.433 ( -4.512 -2.383 0.417) 5.119 85.433 ( -4.512 2.383 0.417) 5.119 87.356 ( -1.533 -0.489 2.514) 2.985 87.356 ( -1.533 0.489 2.514) 2.985 87.597 ( -0.532 -6.857 -3.209) 7.589 87.597 ( -0.532 6.857 -3.209) 7.590 ======================= Grid point 166 (90/90) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 6.621 -14.534 -1.515) 16.043 2.438 ( 6.621 14.534 -1.515) 16.043 2.713 ( -0.480 -9.491 -1.057) 9.562 2.713 ( -0.480 9.491 -1.057) 9.562 2.908 ( 4.086 -9.789 -2.164) 10.826 2.908 ( 4.086 9.789 -2.164) 10.826 3.144 ( 5.729 -5.950 -5.828) 10.109 3.144 ( 5.729 5.950 -5.828) 10.109 3.401 ( 6.726 -6.095 -2.272) 9.357 3.401 ( 6.726 6.095 -2.272) 9.357 3.645 ( 6.394 -3.414 3.358) 7.988 3.645 ( 6.394 3.414 3.358) 7.988 3.798 ( 5.556 -4.983 3.711) 8.335 3.798 ( 5.556 4.983 3.711) 8.335 3.911 ( 7.133 -3.272 4.125) 8.866 3.911 ( 7.133 3.272 4.125) 8.866 4.223 ( 7.167 -4.828 4.255) 9.632 4.223 ( 7.167 4.828 4.255) 9.632 4.382 ( -7.698 -2.311 2.552) 8.433 4.382 ( -7.698 2.311 2.552) 8.433 4.452 ( -7.164 -4.362 4.146) 9.356 4.452 ( -7.164 4.362 4.146) 9.356 4.848 ( 2.363 -4.771 -2.799) 6.015 4.848 ( 2.363 4.771 -2.799) 6.015 4.953 ( -10.778 -2.566 -3.800) 11.713 4.953 ( -10.778 2.566 -3.800) 11.713 5.186 ( -1.310 -7.313 4.277) 8.573 5.186 ( -1.310 7.313 4.277) 8.573 5.382 ( -3.749 -6.213 -3.219) 7.938 5.382 ( -3.749 6.213 -3.219) 7.938 5.491 ( -8.815 -2.740 -1.611) 9.370 5.491 ( -8.815 2.740 -1.611) 9.370 5.620 ( 0.255 -13.666 0.299) 13.672 5.620 ( 0.255 13.666 0.299) 13.672 5.857 ( -1.455 -1.274 1.323) 2.343 5.857 ( -1.455 1.274 1.323) 2.343 6.038 ( -0.748 -5.664 1.949) 6.037 6.038 ( -0.748 5.664 1.949) 6.037 6.158 ( 2.539 -7.024 2.422) 7.852 6.158 ( 2.539 7.024 2.422) 7.852 6.252 ( -2.755 -3.279 -1.513) 4.542 6.252 ( -2.755 3.279 -1.513) 4.542 6.358 ( 2.785 -5.443 -0.604) 6.144 6.358 ( 2.785 5.443 -0.604) 6.144 6.479 ( -2.439 -1.588 -3.975) 4.927 6.479 ( -2.439 1.588 -3.975) 4.927 6.676 ( 1.650 -3.873 2.157) 4.730 6.676 ( 1.650 3.873 2.157) 4.730 6.768 ( -4.067 -5.873 -2.732) 7.649 6.768 ( -4.067 5.873 -2.732) 7.649 6.933 ( -3.138 -2.246 -1.274) 4.064 6.933 ( -3.138 2.246 -1.274) 4.064 7.134 ( -3.836 -5.795 -2.298) 7.320 7.134 ( -3.836 5.795 -2.298) 7.320 7.293 ( -2.388 -5.391 -3.024) 6.627 7.293 ( -2.388 5.391 -3.024) 6.627 7.509 ( 5.002 -2.483 1.041) 5.681 7.509 ( 5.002 2.483 1.041) 5.681 7.846 ( -1.936 -2.447 -4.074) 5.132 7.846 ( -1.936 2.447 -4.074) 5.132 7.971 ( 7.101 -3.414 3.333) 8.555 7.971 ( 7.101 3.414 3.333) 8.555 8.304 ( 1.705 -8.739 0.273) 8.908 8.304 ( 1.705 8.739 0.273) 8.908 8.462 ( 4.044 -3.280 -1.299) 5.366 8.462 ( 4.044 3.280 -1.299) 5.366 8.583 ( 2.596 -5.399 4.230) 7.333 8.583 ( 2.596 5.399 4.230) 7.333 9.009 ( -4.079 -5.736 -3.117) 7.698 9.009 ( -4.079 5.736 -3.117) 7.698 9.320 ( -5.486 -4.068 4.004) 7.917 9.320 ( -5.486 4.068 4.004) 7.917 11.014 ( -0.791 -3.484 0.075) 3.573 11.014 ( -0.791 3.484 0.075) 3.573 11.082 ( -1.012 -4.960 -0.927) 5.146 11.082 ( -1.012 4.960 -0.927) 5.146 11.470 ( 6.475 -7.130 -4.110) 10.472 11.470 ( 6.475 7.130 -4.110) 10.472 11.613 ( -2.093 -8.190 5.648) 10.167 11.613 ( -2.093 8.190 5.648) 10.167 13.655 ( 5.266 -2.584 1.328) 6.014 13.655 ( 5.266 2.584 1.328) 6.014 13.882 ( -1.718 -3.886 -3.601) 5.570 13.882 ( -1.718 3.887 -3.601) 5.570 14.310 ( -0.024 -1.948 3.515) 4.019 14.310 ( -0.024 1.948 3.515) 4.019 14.446 ( -0.996 -6.272 -2.881) 6.974 14.446 ( -0.996 6.272 -2.881) 6.974 14.816 ( -0.815 -3.385 -0.135) 3.485 14.816 ( -0.815 3.385 -0.135) 3.485 15.067 ( 1.962 -1.216 1.240) 2.620 15.067 ( 1.962 1.216 1.240) 2.620 22.896 ( 0.125 -4.233 -0.079) 4.235 22.896 ( 0.125 4.233 -0.079) 4.235 22.969 ( -3.308 -3.949 -0.029) 5.151 22.969 ( -3.308 3.949 -0.029) 5.151 24.773 ( 0.870 -9.525 0.626) 9.586 24.773 ( 0.870 9.525 0.626) 9.586 24.891 ( 2.836 -8.528 -0.005) 8.988 24.891 ( 2.836 8.528 -0.005) 8.988 25.832 ( -5.742 -2.376 -2.385) 6.656 25.832 ( -5.742 2.376 -2.385) 6.656 26.103 ( -1.845 -3.044 1.040) 3.709 26.103 ( -1.845 3.044 1.040) 3.709 27.166 ( -1.582 -1.277 -1.825) 2.733 27.166 ( -1.582 1.277 -1.825) 2.733 27.272 ( 0.181 -1.749 1.968) 2.639 27.272 ( 0.181 1.749 1.968) 2.639 28.357 ( 2.676 -1.680 2.710) 4.163 28.357 ( 2.676 1.680 2.710) 4.163 28.647 ( -4.106 -1.446 -4.845) 6.514 28.647 ( -4.106 1.446 -4.845) 6.514 29.154 ( 8.602 -6.076 1.860) 10.694 29.154 ( 8.602 6.076 1.860) 10.694 29.524 ( -3.865 -5.270 0.493) 6.554 29.524 ( -3.865 5.270 0.493) 6.554 31.986 ( 0.351 -0.055 0.496) 0.610 31.986 ( 0.351 0.055 0.496) 0.610 32.116 ( 1.151 -0.070 -0.565) 1.284 32.116 ( 1.151 0.070 -0.565) 1.284 35.308 ( 0.083 -2.690 0.244) 2.702 35.308 ( 0.083 2.690 0.244) 2.702 35.335 ( 0.066 -2.265 -0.303) 2.286 35.335 ( 0.066 2.265 -0.303) 2.286 39.303 ( -0.335 -0.238 0.024) 0.411 39.303 ( -0.335 0.238 0.024) 0.411 39.397 ( -0.910 -0.418 -0.039) 1.002 39.397 ( -0.910 0.418 -0.039) 1.002 47.077 ( -0.132 -2.324 0.130) 2.331 47.077 ( -0.132 2.324 0.130) 2.331 47.177 ( 0.298 -2.660 -0.172) 2.682 47.177 ( 0.298 2.660 -0.172) 2.682 65.374 ( -0.923 -6.467 -1.492) 6.701 65.374 ( -0.923 6.467 -1.492) 6.701 66.383 ( 4.547 -7.839 0.814) 9.099 66.383 ( 4.547 7.839 0.814) 9.099 85.220 ( -1.446 -0.506 -0.307) 1.562 85.220 ( -1.446 0.506 -0.307) 1.562 85.352 ( -3.896 -1.542 0.323) 4.203 85.352 ( -3.896 1.542 0.323) 4.203 87.351 ( -0.569 -1.501 3.745) 4.075 87.351 ( -0.569 1.501 3.745) 4.075 87.560 ( -1.258 -6.882 -4.616) 8.381 87.560 ( -1.258 6.882 -4.616) 8.381 =================== 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 3/40320 10.0 81.646 154.773 110.038 0.000 5.177 0.000 3/40320 20.0 17.528 34.389 23.192 0.000 0.834 0.000 3/40320 30.0 8.000 15.919 9.909 0.000 0.545 0.000 3/40320 40.0 4.841 9.206 5.667 0.000 0.387 0.000 3/40320 50.0 3.368 6.102 3.772 0.000 0.280 0.000 3/40320 60.0 2.558 4.444 2.766 0.000 0.212 0.000 3/40320 70.0 2.060 3.457 2.165 0.000 0.169 0.000 3/40320 80.0 1.727 2.818 1.774 0.000 0.140 0.000 3/40320 90.0 1.491 2.377 1.504 0.000 0.120 0.000 3/40320 100.0 1.314 2.056 1.306 0.000 0.106 0.000 3/40320 110.0 1.177 1.814 1.156 0.000 0.094 0.000 3/40320 120.0 1.067 1.625 1.038 0.000 0.086 0.000 3/40320 130.0 0.978 1.474 0.943 0.000 0.079 0.000 3/40320 140.0 0.903 1.350 0.865 0.000 0.073 0.000 3/40320 150.0 0.840 1.248 0.800 0.000 0.068 0.000 3/40320 160.0 0.785 1.162 0.744 0.000 0.064 0.000 3/40320 170.0 0.738 1.088 0.697 0.000 0.060 0.000 3/40320 180.0 0.696 1.024 0.655 0.000 0.057 0.000 3/40320 190.0 0.659 0.969 0.618 0.000 0.054 0.000 3/40320 200.0 0.626 0.920 0.586 0.000 0.052 0.000 3/40320 210.0 0.597 0.877 0.557 0.000 0.050 0.000 3/40320 220.0 0.570 0.838 0.531 0.000 0.047 0.000 3/40320 230.0 0.545 0.804 0.507 0.000 0.046 0.000 3/40320 240.0 0.523 0.772 0.486 0.000 0.044 0.000 3/40320 250.0 0.503 0.744 0.466 0.000 0.042 0.000 3/40320 260.0 0.484 0.718 0.448 0.000 0.041 0.000 3/40320 270.0 0.467 0.693 0.431 0.000 0.039 0.000 3/40320 280.0 0.451 0.671 0.416 0.000 0.038 0.000 3/40320 290.0 0.436 0.651 0.402 0.000 0.037 0.000 3/40320 300.0 0.422 0.631 0.389 0.000 0.036 0.000 3/40320 310.0 0.409 0.613 0.376 0.000 0.035 0.000 3/40320 320.0 0.397 0.596 0.365 0.000 0.034 0.000 3/40320 330.0 0.385 0.581 0.354 0.000 0.033 0.000 3/40320 340.0 0.374 0.566 0.344 0.000 0.032 0.000 3/40320 350.0 0.364 0.551 0.334 0.000 0.031 0.000 3/40320 360.0 0.354 0.538 0.325 0.000 0.030 0.000 3/40320 370.0 0.345 0.525 0.316 0.000 0.029 0.000 3/40320 380.0 0.337 0.513 0.308 0.000 0.029 0.000 3/40320 390.0 0.328 0.502 0.301 0.000 0.028 0.000 3/40320 400.0 0.321 0.491 0.293 0.000 0.027 0.000 3/40320 410.0 0.313 0.480 0.286 0.000 0.027 0.000 3/40320 420.0 0.306 0.470 0.280 0.000 0.026 0.000 3/40320 430.0 0.299 0.461 0.273 0.000 0.025 0.000 3/40320 440.0 0.293 0.451 0.267 0.000 0.025 0.000 3/40320 450.0 0.286 0.443 0.261 0.000 0.024 0.000 3/40320 460.0 0.280 0.434 0.256 0.000 0.024 0.000 3/40320 470.0 0.275 0.426 0.251 0.000 0.023 0.000 3/40320 480.0 0.269 0.418 0.246 0.000 0.023 0.000 3/40320 490.0 0.264 0.410 0.241 0.000 0.022 0.000 3/40320 500.0 0.259 0.403 0.236 0.000 0.022 0.000 3/40320 510.0 0.254 0.396 0.231 0.000 0.022 0.000 3/40320 520.0 0.249 0.389 0.227 0.000 0.021 0.000 3/40320 530.0 0.245 0.383 0.223 0.000 0.021 0.000 3/40320 540.0 0.240 0.376 0.219 0.000 0.020 0.000 3/40320 550.0 0.236 0.370 0.215 0.000 0.020 0.000 3/40320 560.0 0.232 0.364 0.211 0.000 0.020 0.000 3/40320 570.0 0.228 0.359 0.208 0.000 0.019 0.000 3/40320 580.0 0.224 0.353 0.204 0.000 0.019 0.000 3/40320 590.0 0.221 0.348 0.201 0.000 0.019 0.000 3/40320 600.0 0.217 0.342 0.198 0.000 0.018 0.000 3/40320 610.0 0.214 0.337 0.194 0.000 0.018 0.000 3/40320 620.0 0.210 0.332 0.191 0.000 0.018 0.000 3/40320 630.0 0.207 0.328 0.188 0.000 0.018 0.000 3/40320 640.0 0.204 0.323 0.186 0.000 0.017 0.000 3/40320 650.0 0.201 0.318 0.183 0.000 0.017 0.000 3/40320 660.0 0.198 0.314 0.180 0.000 0.017 0.000 3/40320 670.0 0.195 0.310 0.177 0.000 0.017 0.000 3/40320 680.0 0.192 0.305 0.175 0.000 0.016 0.000 3/40320 690.0 0.190 0.301 0.172 0.000 0.016 0.000 3/40320 700.0 0.187 0.297 0.170 0.000 0.016 0.000 3/40320 710.0 0.185 0.294 0.168 0.000 0.016 0.000 3/40320 720.0 0.182 0.290 0.165 0.000 0.015 0.000 3/40320 730.0 0.180 0.286 0.163 0.000 0.015 0.000 3/40320 740.0 0.177 0.283 0.161 0.000 0.015 0.000 3/40320 750.0 0.175 0.279 0.159 0.000 0.015 0.000 3/40320 760.0 0.173 0.276 0.157 0.000 0.015 0.000 3/40320 770.0 0.171 0.272 0.155 0.000 0.014 0.000 3/40320 780.0 0.168 0.269 0.153 0.000 0.014 0.000 3/40320 790.0 0.166 0.266 0.151 0.000 0.014 0.000 3/40320 800.0 0.164 0.263 0.149 0.000 0.014 0.000 3/40320 810.0 0.162 0.260 0.147 0.000 0.014 0.000 3/40320 820.0 0.160 0.257 0.146 0.000 0.014 0.000 3/40320 830.0 0.159 0.254 0.144 0.000 0.013 0.000 3/40320 840.0 0.157 0.251 0.142 0.000 0.013 0.000 3/40320 850.0 0.155 0.249 0.141 0.000 0.013 0.000 3/40320 860.0 0.153 0.246 0.139 0.000 0.013 0.000 3/40320 870.0 0.151 0.243 0.137 0.000 0.013 0.000 3/40320 880.0 0.150 0.241 0.136 0.000 0.013 0.000 3/40320 890.0 0.148 0.238 0.134 0.000 0.012 0.000 3/40320 900.0 0.147 0.236 0.133 0.000 0.012 0.000 3/40320 910.0 0.145 0.233 0.132 0.000 0.012 0.000 3/40320 920.0 0.143 0.231 0.130 0.000 0.012 0.000 3/40320 930.0 0.142 0.228 0.129 0.000 0.012 0.000 3/40320 940.0 0.140 0.226 0.127 0.000 0.012 0.000 3/40320 950.0 0.139 0.224 0.126 0.000 0.012 0.000 3/40320 960.0 0.138 0.222 0.125 0.000 0.012 0.000 3/40320 970.0 0.136 0.220 0.124 0.000 0.011 0.000 3/40320 980.0 0.135 0.218 0.122 0.000 0.011 0.000 3/40320 990.0 0.134 0.215 0.121 0.000 0.011 0.000 3/40320 1000.0 0.132 0.213 0.120 0.000 0.011 0.000 3/40320 Thermal conductivity related properties were written into "kappa-m785.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:56:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|