----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 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 7.285526460082971 0.000000000000000 0.000000000000000 b 0.000000000000000 11.065278500000000 0.000000000000000 c -5.974364687565261 0.000000000000000 10.235252617604623 Atomic positions (fractional): *1 O 0.34676214479934 0.90724462965731 0.87155034940635 15.999 2 O 0.65323785520066 0.40724462965731 0.62844965059365 15.999 3 O 0.65323785520066 0.09275537034269 0.12844965059366 15.999 4 O 0.34676214479934 0.59275537034269 0.37155034940635 15.999 *5 O 0.89871468847153 0.52030109577530 0.86282721452713 15.999 6 O 0.10128531152847 0.02030109577530 0.63717278547287 15.999 7 O 0.10128531152847 0.47969890422470 0.13717278547287 15.999 8 O 0.89871468847153 0.97969890422470 0.36282721452713 15.999 *9 O 0.50318425116728 0.89619503636038 0.19198961187441 15.999 10 O 0.49681574883272 0.39619503636038 0.30801038812559 15.999 11 O 0.49681574883272 0.10380496363962 0.80801038812559 15.999 12 O 0.50318425116728 0.60380496363962 0.69198961187441 15.999 *13 O 0.80211863147732 0.60519101341547 0.62022812816060 15.999 14 O 0.19788136852268 0.10519101341547 0.87977187183940 15.999 15 O 0.19788136852268 0.39480898658453 0.37977187183940 15.999 16 O 0.80211863147732 0.89480898658453 0.12022812816060 15.999 *17 O 0.48294809988015 0.64481286705300 0.19647947143774 15.999 *18 O 0.10567905649540 0.72497135151025 0.61868509511318 15.999 19 O 0.89432094350460 0.27502864848975 0.38131490488682 15.999 20 O 0.10567905649540 0.77502864848975 0.11868509511318 15.999 *21 O 0.71255978394327 0.82062519481343 0.48108325373844 15.999 22 O 0.28744021605673 0.32062519481343 0.01891674626156 15.999 23 O 0.28744021605673 0.17937480518657 0.51891674626156 15.999 24 O 0.71255978394327 0.67937480518657 0.98108325373844 15.999 *25 O 0.88731410296527 0.82007175819753 0.73234459124139 15.999 26 O 0.11268589703473 0.32007175819753 0.76765540875861 15.999 27 O 0.11268589703473 0.17992824180247 0.26765540875861 15.999 28 O 0.88731410296527 0.67992824180247 0.23234459124139 15.999 *29 O 0.35193431744554 0.97562479675529 0.36386888532287 15.999 30 O 0.64806568255446 0.47562479675529 0.13613111467713 15.999 31 O 0.64806568255446 0.02437520324471 0.63613111467713 15.999 32 O 0.35193431744554 0.52437520324471 0.86386888532287 15.999 *33 O 0.85109539627066 0.94893261225654 0.89403408345154 15.999 34 O 0.14890460372934 0.44893261225654 0.60596591654846 15.999 35 O 0.14890460372934 0.05106738774346 0.10596591654846 15.999 36 O 0.85109539627066 0.55106738774346 0.39403408345154 15.999 37 O 0.48294809988015 0.85518713294700 0.69647947143774 15.999 38 O 0.51705190011985 0.35518713294700 0.80352052856226 15.999 39 O 0.51705190011985 0.14481286705300 0.30352052856226 15.999 40 O 0.89432094350460 0.22497135151025 0.88131490488682 15.999 *41 F 0.75730467430312 0.28611448305686 0.06064168478893 18.998 42 F 0.24269532569688 0.78611448305686 0.43935831521107 18.998 43 F 0.75730467430312 0.21388551694314 0.56064168478893 18.998 44 F 0.24269532569688 0.71388551694314 0.93935831521107 18.998 *45 Si 0.71323957471566 0.53512193161435 0.70852403219707 28.085 *46 Si 0.12260709385209 0.24349822497873 0.89093969035778 28.085 47 Si 0.12260709385209 0.25650177502128 0.39093969035778 28.085 48 Si 0.87739290614791 0.75650177502128 0.10906030964222 28.085 *49 Si 0.71440447392448 0.58746338387187 0.24113084649695 28.085 50 Si 0.28559552607552 0.08746338387187 0.25886915350305 28.085 51 Si 0.28559552607552 0.41253661612813 0.75886915350305 28.085 52 Si 0.71440447392448 0.91253661612813 0.74113084649695 28.085 53 Si 0.71323957471566 0.96487806838565 0.20852403219707 28.085 54 Si 0.28676042528434 0.46487806838565 0.29147596780293 28.085 55 Si 0.87739290614791 0.74349822497872 0.60906030964222 28.085 56 Si 0.28676042528434 0.03512193161435 0.79147596780293 28.085 *57 Ho 0.25631799996933 0.53129507733493 0.01884603599200 164.930 58 Ho 0.74368200003067 0.03129507733493 0.48115396400800 164.930 59 Ho 0.74368200003067 0.46870492266507 0.98115396400800 164.930 60 Ho 0.25631799996933 0.96870492266507 0.51884603599200 164.930 *61 Ho 0.40273070192145 0.77330674569057 0.31107605198038 164.930 62 Ho 0.59726929807855 0.27330674569057 0.18892394801962 164.930 63 Ho 0.59726929807855 0.22669325430943 0.68892394801962 164.930 64 Ho 0.40273070192145 0.72669325430943 0.81107605198038 164.930 *65 Ho 0.19454064570537 0.90192148661767 0.99564626249095 164.930 66 Ho 0.80545935429463 0.40192148661767 0.50435373750905 164.930 67 Ho 0.80545935429463 0.09807851338233 0.00435373750905 164.930 68 Ho 0.19454064570537 0.59807851338233 0.49564626249095 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.285526460082971 0.000000000000000 0.000000000000000 b 0.000000000000000 11.065278500000000 0.000000000000000 c -5.974364687565261 0.000000000000000 10.235252617604623 Atomic positions (fractional): *1 O 0.34676214479934 0.90724462965731 0.87155034940635 15.999 > 1 2 O 0.65323785520066 0.40724462965731 0.62844965059365 15.999 > 2 3 O 0.65323785520066 0.09275537034269 0.12844965059366 15.999 > 3 4 O 0.34676214479934 0.59275537034269 0.37155034940635 15.999 > 4 *5 O 0.89871468847153 0.52030109577530 0.86282721452713 15.999 > 5 6 O 0.10128531152847 0.02030109577530 0.63717278547287 15.999 > 6 7 O 0.10128531152847 0.47969890422470 0.13717278547287 15.999 > 7 8 O 0.89871468847153 0.97969890422470 0.36282721452713 15.999 > 8 *9 O 0.50318425116728 0.89619503636038 0.19198961187441 15.999 > 9 10 O 0.49681574883272 0.39619503636038 0.30801038812559 15.999 > 10 11 O 0.49681574883272 0.10380496363962 0.80801038812559 15.999 > 11 12 O 0.50318425116728 0.60380496363962 0.69198961187441 15.999 > 12 *13 O 0.80211863147732 0.60519101341547 0.62022812816060 15.999 > 13 14 O 0.19788136852268 0.10519101341547 0.87977187183940 15.999 > 14 15 O 0.19788136852268 0.39480898658453 0.37977187183940 15.999 > 15 16 O 0.80211863147732 0.89480898658453 0.12022812816060 15.999 > 16 *17 O 0.48294809988015 0.64481286705300 0.19647947143774 15.999 > 17 *18 O 0.10567905649540 0.72497135151025 0.61868509511318 15.999 > 18 19 O 0.89432094350460 0.27502864848975 0.38131490488682 15.999 > 19 20 O 0.10567905649540 0.77502864848975 0.11868509511318 15.999 > 20 *21 O 0.71255978394327 0.82062519481343 0.48108325373844 15.999 > 21 22 O 0.28744021605673 0.32062519481343 0.01891674626156 15.999 > 22 23 O 0.28744021605673 0.17937480518657 0.51891674626156 15.999 > 23 24 O 0.71255978394327 0.67937480518657 0.98108325373844 15.999 > 24 *25 O 0.88731410296527 0.82007175819753 0.73234459124139 15.999 > 25 26 O 0.11268589703473 0.32007175819753 0.76765540875861 15.999 > 26 27 O 0.11268589703473 0.17992824180247 0.26765540875861 15.999 > 27 28 O 0.88731410296527 0.67992824180247 0.23234459124139 15.999 > 28 *29 O 0.35193431744554 0.97562479675529 0.36386888532287 15.999 > 29 30 O 0.64806568255446 0.47562479675529 0.13613111467713 15.999 > 30 31 O 0.64806568255446 0.02437520324471 0.63613111467713 15.999 > 31 32 O 0.35193431744554 0.52437520324471 0.86386888532287 15.999 > 32 *33 O 0.85109539627066 0.94893261225654 0.89403408345154 15.999 > 33 34 O 0.14890460372934 0.44893261225654 0.60596591654846 15.999 > 34 35 O 0.14890460372934 0.05106738774346 0.10596591654846 15.999 > 35 36 O 0.85109539627066 0.55106738774346 0.39403408345154 15.999 > 36 37 O 0.48294809988015 0.85518713294700 0.69647947143774 15.999 > 37 38 O 0.51705190011985 0.35518713294700 0.80352052856226 15.999 > 38 39 O 0.51705190011985 0.14481286705300 0.30352052856226 15.999 > 39 40 O 0.89432094350460 0.22497135151025 0.88131490488682 15.999 > 40 *41 F 0.75730467430312 0.28611448305686 0.06064168478893 18.998 > 41 42 F 0.24269532569688 0.78611448305686 0.43935831521107 18.998 > 42 43 F 0.75730467430312 0.21388551694314 0.56064168478893 18.998 > 43 44 F 0.24269532569688 0.71388551694314 0.93935831521107 18.998 > 44 *45 Si 0.71323957471566 0.53512193161435 0.70852403219707 28.085 > 45 *46 Si 0.12260709385209 0.24349822497873 0.89093969035778 28.085 > 46 47 Si 0.12260709385209 0.25650177502128 0.39093969035778 28.085 > 47 48 Si 0.87739290614791 0.75650177502128 0.10906030964222 28.085 > 48 *49 Si 0.71440447392448 0.58746338387187 0.24113084649695 28.085 > 49 50 Si 0.28559552607552 0.08746338387187 0.25886915350305 28.085 > 50 51 Si 0.28559552607552 0.41253661612813 0.75886915350305 28.085 > 51 52 Si 0.71440447392448 0.91253661612813 0.74113084649695 28.085 > 52 53 Si 0.71323957471566 0.96487806838565 0.20852403219707 28.085 > 53 54 Si 0.28676042528434 0.46487806838565 0.29147596780293 28.085 > 54 55 Si 0.87739290614791 0.74349822497872 0.60906030964222 28.085 > 55 56 Si 0.28676042528434 0.03512193161435 0.79147596780293 28.085 > 56 *57 Ho 0.25631799996933 0.53129507733493 0.01884603599200 164.930 > 57 58 Ho 0.74368200003067 0.03129507733493 0.48115396400800 164.930 > 58 59 Ho 0.74368200003067 0.46870492266507 0.98115396400800 164.930 > 59 60 Ho 0.25631799996933 0.96870492266507 0.51884603599200 164.930 > 60 *61 Ho 0.40273070192145 0.77330674569057 0.31107605198038 164.930 > 61 62 Ho 0.59726929807855 0.27330674569057 0.18892394801962 164.930 > 62 63 Ho 0.59726929807855 0.22669325430943 0.68892394801962 164.930 > 63 64 Ho 0.40273070192145 0.72669325430943 0.81107605198038 164.930 > 64 *65 Ho 0.19454064570537 0.90192148661767 0.99564626249095 164.930 > 65 66 Ho 0.80545935429463 0.40192148661767 0.50435373750905 164.930 > 66 67 Ho 0.80545935429463 0.09807851338233 0.00435373750905 164.930 > 67 68 Ho 0.19454064570537 0.59807851338233 0.49564626249095 164.930 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.571052920165942 0.000000000000000 0.000000000000000 b 0.000000000000000 11.065278500000000 0.000000000000000 c -5.974364687565261 0.000000000000000 10.235252617604623 Atomic positions (fractional): *1 O 0.17338107239967 0.90724462965731 0.87155034940635 15.999 > 1 2 O 0.67338107239967 0.90724462965731 0.87155034940635 15.999 > 1 3 O 0.32661892760033 0.40724462965731 0.62844965059365 15.999 > 2 4 O 0.82661892760033 0.40724462965731 0.62844965059365 15.999 > 2 5 O 0.32661892760033 0.09275537034269 0.12844965059366 15.999 > 3 6 O 0.82661892760033 0.09275537034269 0.12844965059366 15.999 > 3 7 O 0.17338107239967 0.59275537034269 0.37155034940635 15.999 > 4 8 O 0.67338107239967 0.59275537034269 0.37155034940635 15.999 > 4 *9 O 0.44935734423577 0.52030109577530 0.86282721452713 15.999 > 5 10 O 0.94935734423577 0.52030109577530 0.86282721452713 15.999 > 5 11 O 0.05064265576424 0.02030109577530 0.63717278547287 15.999 > 6 12 O 0.55064265576423 0.02030109577530 0.63717278547287 15.999 > 6 13 O 0.05064265576424 0.47969890422470 0.13717278547287 15.999 > 7 14 O 0.55064265576423 0.47969890422470 0.13717278547287 15.999 > 7 15 O 0.44935734423577 0.97969890422470 0.36282721452713 15.999 > 8 16 O 0.94935734423577 0.97969890422470 0.36282721452713 15.999 > 8 *17 O 0.25159212558364 0.89619503636038 0.19198961187441 15.999 > 9 18 O 0.75159212558364 0.89619503636038 0.19198961187441 15.999 > 9 19 O 0.24840787441636 0.39619503636038 0.30801038812559 15.999 > 10 20 O 0.74840787441636 0.39619503636038 0.30801038812559 15.999 > 10 21 O 0.24840787441636 0.10380496363962 0.80801038812559 15.999 > 11 22 O 0.74840787441636 0.10380496363962 0.80801038812559 15.999 > 11 23 O 0.25159212558364 0.60380496363962 0.69198961187441 15.999 > 12 24 O 0.75159212558364 0.60380496363962 0.69198961187441 15.999 > 12 *25 O 0.40105931573866 0.60519101341547 0.62022812816060 15.999 > 13 26 O 0.90105931573866 0.60519101341547 0.62022812816060 15.999 > 13 27 O 0.09894068426134 0.10519101341547 0.87977187183940 15.999 > 14 28 O 0.59894068426134 0.10519101341547 0.87977187183940 15.999 > 14 29 O 0.09894068426134 0.39480898658453 0.37977187183940 15.999 > 15 30 O 0.59894068426134 0.39480898658453 0.37977187183940 15.999 > 15 31 O 0.40105931573866 0.89480898658453 0.12022812816060 15.999 > 16 32 O 0.90105931573866 0.89480898658453 0.12022812816060 15.999 > 16 *33 O 0.24147404994008 0.64481286705300 0.19647947143774 15.999 > 17 34 O 0.74147404994008 0.64481286705300 0.19647947143774 15.999 > 17 *35 O 0.05283952824770 0.72497135151025 0.61868509511318 15.999 > 18 36 O 0.55283952824770 0.72497135151025 0.61868509511318 15.999 > 18 37 O 0.44716047175230 0.27502864848975 0.38131490488682 15.999 > 19 38 O 0.94716047175230 0.27502864848975 0.38131490488682 15.999 > 19 39 O 0.05283952824770 0.77502864848975 0.11868509511318 15.999 > 20 40 O 0.55283952824770 0.77502864848975 0.11868509511318 15.999 > 20 *41 O 0.35627989197164 0.82062519481343 0.48108325373844 15.999 > 21 42 O 0.85627989197164 0.82062519481343 0.48108325373844 15.999 > 21 43 O 0.14372010802836 0.32062519481343 0.01891674626156 15.999 > 22 44 O 0.64372010802836 0.32062519481343 0.01891674626156 15.999 > 22 45 O 0.14372010802836 0.17937480518657 0.51891674626156 15.999 > 23 46 O 0.64372010802836 0.17937480518657 0.51891674626156 15.999 > 23 47 O 0.35627989197164 0.67937480518657 0.98108325373844 15.999 > 24 48 O 0.85627989197164 0.67937480518657 0.98108325373844 15.999 > 24 *49 O 0.44365705148264 0.82007175819753 0.73234459124139 15.999 > 25 50 O 0.94365705148264 0.82007175819753 0.73234459124139 15.999 > 25 51 O 0.05634294851737 0.32007175819753 0.76765540875861 15.999 > 26 52 O 0.55634294851736 0.32007175819753 0.76765540875861 15.999 > 26 53 O 0.05634294851737 0.17992824180247 0.26765540875861 15.999 > 27 54 O 0.55634294851736 0.17992824180247 0.26765540875861 15.999 > 27 55 O 0.44365705148264 0.67992824180247 0.23234459124139 15.999 > 28 56 O 0.94365705148264 0.67992824180247 0.23234459124139 15.999 > 28 *57 O 0.17596715872277 0.97562479675529 0.36386888532287 15.999 > 29 58 O 0.67596715872277 0.97562479675529 0.36386888532287 15.999 > 29 59 O 0.32403284127723 0.47562479675529 0.13613111467713 15.999 > 30 60 O 0.82403284127723 0.47562479675529 0.13613111467713 15.999 > 30 61 O 0.32403284127723 0.02437520324471 0.63613111467713 15.999 > 31 62 O 0.82403284127723 0.02437520324471 0.63613111467713 15.999 > 31 63 O 0.17596715872277 0.52437520324471 0.86386888532287 15.999 > 32 64 O 0.67596715872277 0.52437520324471 0.86386888532287 15.999 > 32 *65 O 0.42554769813533 0.94893261225654 0.89403408345154 15.999 > 33 66 O 0.92554769813533 0.94893261225654 0.89403408345154 15.999 > 33 67 O 0.07445230186467 0.44893261225654 0.60596591654846 15.999 > 34 68 O 0.57445230186467 0.44893261225654 0.60596591654846 15.999 > 34 69 O 0.07445230186467 0.05106738774346 0.10596591654846 15.999 > 35 70 O 0.57445230186467 0.05106738774346 0.10596591654846 15.999 > 35 71 O 0.42554769813533 0.55106738774346 0.39403408345154 15.999 > 36 72 O 0.92554769813533 0.55106738774346 0.39403408345154 15.999 > 36 73 O 0.24147404994008 0.85518713294700 0.69647947143774 15.999 > 37 74 O 0.74147404994008 0.85518713294700 0.69647947143774 15.999 > 37 75 O 0.25852595005992 0.35518713294700 0.80352052856226 15.999 > 38 76 O 0.75852595005992 0.35518713294700 0.80352052856226 15.999 > 38 77 O 0.25852595005992 0.14481286705300 0.30352052856226 15.999 > 39 78 O 0.75852595005992 0.14481286705300 0.30352052856226 15.999 > 39 79 O 0.44716047175230 0.22497135151025 0.88131490488682 15.999 > 40 80 O 0.94716047175230 0.22497135151025 0.88131490488682 15.999 > 40 *81 F 0.37865233715156 0.28611448305686 0.06064168478893 18.998 > 41 82 F 0.87865233715156 0.28611448305686 0.06064168478893 18.998 > 41 83 F 0.12134766284844 0.78611448305686 0.43935831521107 18.998 > 42 84 F 0.62134766284844 0.78611448305686 0.43935831521107 18.998 > 42 85 F 0.37865233715156 0.21388551694314 0.56064168478893 18.998 > 43 86 F 0.87865233715156 0.21388551694314 0.56064168478893 18.998 > 43 87 F 0.12134766284844 0.71388551694314 0.93935831521107 18.998 > 44 88 F 0.62134766284844 0.71388551694314 0.93935831521107 18.998 > 44 *89 Si 0.35661978735783 0.53512193161435 0.70852403219707 28.085 > 45 90 Si 0.85661978735783 0.53512193161435 0.70852403219707 28.085 > 45 *91 Si 0.06130354692604 0.24349822497873 0.89093969035778 28.085 > 46 92 Si 0.56130354692604 0.24349822497873 0.89093969035778 28.085 > 46 93 Si 0.06130354692604 0.25650177502128 0.39093969035778 28.085 > 47 94 Si 0.56130354692604 0.25650177502128 0.39093969035778 28.085 > 47 95 Si 0.43869645307396 0.75650177502128 0.10906030964222 28.085 > 48 96 Si 0.93869645307396 0.75650177502128 0.10906030964222 28.085 > 48 *97 Si 0.35720223696224 0.58746338387187 0.24113084649695 28.085 > 49 98 Si 0.85720223696224 0.58746338387187 0.24113084649695 28.085 > 49 99 Si 0.14279776303776 0.08746338387187 0.25886915350305 28.085 > 50 100 Si 0.64279776303776 0.08746338387187 0.25886915350305 28.085 > 50 101 Si 0.14279776303776 0.41253661612813 0.75886915350305 28.085 > 51 102 Si 0.64279776303776 0.41253661612813 0.75886915350305 28.085 > 51 103 Si 0.35720223696224 0.91253661612813 0.74113084649695 28.085 > 52 104 Si 0.85720223696224 0.91253661612813 0.74113084649695 28.085 > 52 105 Si 0.35661978735783 0.96487806838565 0.20852403219707 28.085 > 53 106 Si 0.85661978735783 0.96487806838565 0.20852403219707 28.085 > 53 107 Si 0.14338021264217 0.46487806838565 0.29147596780293 28.085 > 54 108 Si 0.64338021264217 0.46487806838565 0.29147596780293 28.085 > 54 109 Si 0.43869645307396 0.74349822497872 0.60906030964222 28.085 > 55 110 Si 0.93869645307396 0.74349822497872 0.60906030964222 28.085 > 55 111 Si 0.14338021264217 0.03512193161435 0.79147596780293 28.085 > 56 112 Si 0.64338021264217 0.03512193161435 0.79147596780293 28.085 > 56 *113 Ho 0.12815899998467 0.53129507733493 0.01884603599200 164.930 > 57 114 Ho 0.62815899998467 0.53129507733493 0.01884603599200 164.930 > 57 115 Ho 0.37184100001533 0.03129507733493 0.48115396400800 164.930 > 58 116 Ho 0.87184100001533 0.03129507733493 0.48115396400800 164.930 > 58 117 Ho 0.37184100001533 0.46870492266507 0.98115396400800 164.930 > 59 118 Ho 0.87184100001533 0.46870492266507 0.98115396400800 164.930 > 59 119 Ho 0.12815899998467 0.96870492266507 0.51884603599200 164.930 > 60 120 Ho 0.62815899998467 0.96870492266507 0.51884603599200 164.930 > 60 *121 Ho 0.20136535096072 0.77330674569057 0.31107605198038 164.930 > 61 122 Ho 0.70136535096072 0.77330674569057 0.31107605198038 164.930 > 61 123 Ho 0.29863464903928 0.27330674569057 0.18892394801962 164.930 > 62 124 Ho 0.79863464903928 0.27330674569057 0.18892394801962 164.930 > 62 125 Ho 0.29863464903928 0.22669325430943 0.68892394801962 164.930 > 63 126 Ho 0.79863464903928 0.22669325430943 0.68892394801962 164.930 > 63 127 Ho 0.20136535096072 0.72669325430943 0.81107605198038 164.930 > 64 128 Ho 0.70136535096072 0.72669325430943 0.81107605198038 164.930 > 64 *129 Ho 0.09727032285269 0.90192148661767 0.99564626249095 164.930 > 65 130 Ho 0.59727032285269 0.90192148661767 0.99564626249095 164.930 > 65 131 Ho 0.40272967714731 0.40192148661767 0.50435373750905 164.930 > 66 132 Ho 0.90272967714731 0.40192148661767 0.50435373750905 164.930 > 66 133 Ho 0.40272967714731 0.09807851338233 0.00435373750905 164.930 > 67 134 Ho 0.90272967714731 0.09807851338233 0.00435373750905 164.930 > 67 135 Ho 0.09727032285269 0.59807851338233 0.49564626249095 164.930 > 68 136 Ho 0.59727032285269 0.59807851338233 0.49564626249095 164.930 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3156700 0.0000000 -0.0002571 0.0000000 3.2403519 0.0000000 -0.0002538 0.0000000 3.3714335 -------------------------- Born effective charges -------------------------- 1 O -1.8542185 0.1400754 0.5385248 0.1679716 -2.4270015 0.1170651 0.4886762 0.1412219 -1.7589372 2 O -1.8542185 -0.1400754 0.5385248 -0.1679716 -2.4270015 -0.1170651 0.4886762 -0.1412219 -1.7589372 3 O -1.8542185 0.1400754 0.5385248 0.1679716 -2.4270015 0.1170651 0.4886762 0.1412219 -1.7589372 4 O -1.8542185 -0.1400754 0.5385248 -0.1679716 -2.4270015 -0.1170651 0.4886762 -0.1412219 -1.7589372 5 O -2.2220724 -0.0858318 -0.3195870 -0.0893177 -1.2050506 0.1488759 -0.3616079 0.2079487 -2.6989411 6 O -2.2220724 0.0858318 -0.3195870 0.0893177 -1.2050506 -0.1488759 -0.3616079 -0.2079487 -2.6989411 7 O -2.2220724 -0.0858318 -0.3195870 -0.0893177 -1.2050506 0.1488759 -0.3616079 0.2079487 -2.6989411 8 O -2.2220724 0.0858318 -0.3195870 0.0893177 -1.2050506 -0.1488759 -0.3616079 -0.2079487 -2.6989411 9 O -2.3868664 -0.5769921 -0.2085004 -0.5709636 -1.7082895 0.1371731 -0.2201502 0.0451980 -2.0376145 10 O -2.3868664 0.5769921 -0.2085004 0.5709636 -1.7082895 -0.1371731 -0.2201502 -0.0451980 -2.0376145 11 O -2.3868664 -0.5769921 -0.2085004 -0.5709636 -1.7082895 0.1371731 -0.2201502 0.0451980 -2.0376145 12 O -2.3868664 0.5769921 -0.2085004 0.5709636 -1.7082895 -0.1371731 -0.2201502 -0.0451980 -2.0376145 13 O -1.8354797 -0.4942969 0.4720029 -0.5946980 -2.4490763 0.2337874 0.4048270 0.1890567 -1.4292922 14 O -1.8354797 0.4942969 0.4720029 0.5946980 -2.4490763 -0.2337874 0.4048270 -0.1890567 -1.4292922 15 O -1.8354797 -0.4942969 0.4720029 -0.5946980 -2.4490763 0.2337874 0.4048270 0.1890567 -1.4292922 16 O -1.8354797 0.4942969 0.4720029 0.5946980 -2.4490763 -0.2337874 0.4048270 -0.1890567 -1.4292922 17 O -2.1314974 0.3834355 -0.1152398 0.4276919 -1.8871406 -0.4652370 -0.0587288 -0.4673049 -1.8597272 18 O -2.5187388 0.3808649 -0.2330117 0.3570634 -1.5453052 -0.1795923 -0.2387914 -0.1736011 -1.9879989 19 O -2.5187388 0.3808649 -0.2330117 0.3570634 -1.5453052 -0.1795923 -0.2387914 -0.1736011 -1.9879989 20 O -2.5187388 -0.3808649 -0.2330117 -0.3570634 -1.5453052 0.1795923 -0.2387914 0.1736011 -1.9879989 21 O -1.5250584 0.0184097 -0.5382215 0.0322035 -2.1512105 0.1558267 -0.6023324 0.2458407 -2.3784644 22 O -1.5250584 -0.0184097 -0.5382215 -0.0322035 -2.1512105 -0.1558267 -0.6023324 -0.2458407 -2.3784644 23 O -1.5250584 0.0184097 -0.5382215 0.0322035 -2.1512105 0.1558267 -0.6023324 0.2458407 -2.3784644 24 O -1.5250584 -0.0184097 -0.5382215 -0.0322035 -2.1512105 -0.1558267 -0.6023324 -0.2458407 -2.3784644 25 O -1.9116415 0.6091229 0.2500192 0.7482274 -1.8508656 -0.4877311 0.3631228 -0.4636394 -1.8168623 26 O -1.9116415 -0.6091229 0.2500192 -0.7482274 -1.8508656 0.4877311 0.3631228 0.4636394 -1.8168623 27 O -1.9116415 0.6091229 0.2500192 0.7482274 -1.8508656 -0.4877311 0.3631228 -0.4636394 -1.8168623 28 O -1.9116415 -0.6091229 0.2500192 -0.7482274 -1.8508656 0.4877311 0.3631228 0.4636394 -1.8168623 29 O -1.9252553 -0.0359748 0.2790093 0.0607775 -2.0826716 0.2172090 0.3296873 0.2195509 -2.0800629 30 O -1.9252553 0.0359748 0.2790093 -0.0607775 -2.0826716 -0.2172090 0.3296873 -0.2195509 -2.0800629 31 O -1.9252553 -0.0359748 0.2790093 0.0607775 -2.0826716 0.2172090 0.3296873 0.2195509 -2.0800629 32 O -1.9252553 0.0359748 0.2790093 -0.0607775 -2.0826716 -0.2172090 0.3296873 -0.2195509 -2.0800629 33 O -1.9068034 0.3756475 -0.2819544 0.3676776 -1.5960577 -0.3628582 -0.2727611 -0.3793954 -2.4778610 34 O -1.9068034 -0.3756475 -0.2819544 -0.3676776 -1.5960577 0.3628582 -0.2727611 0.3793954 -2.4778610 35 O -1.9068034 0.3756475 -0.2819544 0.3676776 -1.5960577 -0.3628582 -0.2727611 -0.3793954 -2.4778610 36 O -1.9068034 -0.3756475 -0.2819544 -0.3676776 -1.5960577 0.3628582 -0.2727611 0.3793954 -2.4778610 37 O -2.1314974 -0.3834355 -0.1152398 -0.4276919 -1.8871406 0.4652370 -0.0587288 0.4673049 -1.8597272 38 O -2.1314974 0.3834355 -0.1152398 0.4276919 -1.8871406 -0.4652370 -0.0587288 -0.4673049 -1.8597272 39 O -2.1314974 -0.3834355 -0.1152398 -0.4276919 -1.8871406 0.4652370 -0.0587288 0.4673049 -1.8597272 40 O -2.5187388 -0.3808649 -0.2330117 -0.3570634 -1.5453052 0.1795923 -0.2387914 0.1736011 -1.9879989 41 F -1.1662116 0.1212836 0.3451948 0.0235194 -1.8966446 0.1446225 0.3610479 0.1144746 -1.1084473 42 F -1.1662116 -0.1212836 0.3451948 -0.0235194 -1.8966446 -0.1446225 0.3610479 -0.1144746 -1.1084473 43 F -1.1662116 -0.1212836 0.3451948 -0.0235194 -1.8966446 -0.1446225 0.3610479 -0.1144746 -1.1084473 44 F -1.1662116 0.1212836 0.3451948 0.0235194 -1.8966446 0.1446225 0.3610479 0.1144746 -1.1084473 45 Si 3.3224047 -0.2585972 -0.2066676 0.0397020 3.1238017 -0.1507890 -0.0132434 -0.0995810 3.3827777 46 Si 3.4971462 0.1971380 -0.0731301 0.2989816 3.5680332 0.0212604 0.0759909 0.3248805 3.0056037 47 Si 3.4971462 -0.1971380 -0.0731301 -0.2989816 3.5680332 -0.0212604 0.0759909 -0.3248805 3.0056037 48 Si 3.4971462 0.1971380 -0.0731301 0.2989816 3.5680332 0.0212604 0.0759909 0.3248805 3.0056037 49 Si 3.2379330 0.1015312 0.2663954 0.2912164 2.8789733 -0.0036913 -0.0712328 -0.0597811 3.3501829 50 Si 3.2379330 -0.1015312 0.2663954 -0.2912164 2.8789733 0.0036913 -0.0712328 0.0597811 3.3501829 51 Si 3.2379330 0.1015312 0.2663954 0.2912164 2.8789733 -0.0036913 -0.0712328 -0.0597811 3.3501829 52 Si 3.2379330 -0.1015312 0.2663954 -0.2912164 2.8789733 0.0036913 -0.0712328 0.0597811 3.3501829 53 Si 3.3224047 0.2585972 -0.2066676 -0.0397020 3.1238017 0.1507890 -0.0132434 0.0995810 3.3827777 54 Si 3.3224047 -0.2585972 -0.2066676 0.0397020 3.1238017 -0.1507890 -0.0132434 -0.0995810 3.3827777 55 Si 3.4971462 -0.1971380 -0.0731301 -0.2989816 3.5680332 -0.0212604 0.0759909 -0.3248805 3.0056037 56 Si 3.3224047 0.2585972 -0.2066676 -0.0397020 3.1238017 0.1507890 -0.0132434 0.0995810 3.3827777 57 Ho 3.8661931 0.1509144 0.0135569 0.1908051 3.6149569 0.0120534 -0.0170243 0.0579587 3.9231221 58 Ho 3.8661931 -0.1509144 0.0135569 -0.1908051 3.6149569 -0.0120534 -0.0170243 -0.0579587 3.9231221 59 Ho 3.8661931 0.1509144 0.0135569 0.1908051 3.6149569 0.0120534 -0.0170243 0.0579587 3.9231221 60 Ho 3.8661931 -0.1509144 0.0135569 -0.1908051 3.6149569 -0.0120534 -0.0170243 -0.0579587 3.9231221 61 Ho 3.4781974 0.2056240 -0.0436319 0.1252922 4.1117378 0.1523996 -0.0068488 0.2475459 3.9320157 62 Ho 3.4781974 -0.2056240 -0.0436319 -0.1252922 4.1117378 -0.1523996 -0.0068488 -0.2475459 3.9320157 63 Ho 3.4781974 0.2056240 -0.0436319 0.1252922 4.1117378 0.1523996 -0.0068488 0.2475459 3.9320157 64 Ho 3.4781974 -0.2056240 -0.0436319 -0.1252922 4.1117378 -0.1523996 -0.0068488 -0.2475459 3.9320157 65 Ho 3.9819690 -0.1785267 -0.1447590 -0.1869857 3.5018108 -0.0211983 -0.1606309 -0.0221000 4.0405069 66 Ho 3.9819690 0.1785267 -0.1447590 0.1869857 3.5018108 0.0211983 -0.1606309 0.0221000 4.0405069 67 Ho 3.9819690 -0.1785267 -0.1447590 -0.1869857 3.5018108 -0.0211983 -0.1606309 -0.0221000 4.0405069 68 Ho 3.9819690 0.1785267 -0.1447590 0.1869857 3.5018108 0.0211983 -0.1606309 0.0221000 4.0405069 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 7.739 Solver_block: 200 / 2080 - Time: 7.625 Solver_block: 300 / 2080 - Time: 7.261 Solver_block: 400 / 2080 - Time: 7.794 Solver_block: 500 / 2080 - Time: 7.660 Solver_block: 600 / 2080 - Time: 8.992 Solver_block: 700 / 2080 - Time: 8.935 Solver_block: 800 / 2080 - Time: 8.522 Solver_block: 900 / 2080 - Time: 6.518 Solver_block: 1000 / 2080 - Time: 8.722 Solver_block: 1100 / 2080 - Time: 11.230 Solver_block: 1200 / 2080 - Time: 7.854 Solver_block: 1300 / 2080 - Time: 6.558 Solver_block: 1400 / 2080 - Time: 8.465 Solver_block: 1500 / 2080 - Time: 8.981 Solver_block: 1600 / 2080 - Time: 7.237 Solver_block: 1700 / 2080 - Time: 5.688 Solver_block: 1800 / 2080 - Time: 10.137 Solver_block: 1900 / 2080 - Time: 8.114 Solver_block: 2000 / 2080 - Time: 7.836 Solver_block: 2080 / 2080 - Time: 5.629 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 171.983 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), 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 01:56:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:56:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.285526460082971 0.000000000000000 0.000000000000000 b 0.000000000000000 11.065278500000000 0.000000000000000 c -5.974364687565261 0.000000000000000 10.235252617604623 Atomic positions (fractional): 1 O 0.34676214479934 0.90724462965731 0.87155034940635 15.999 2 O 0.65323785520066 0.40724462965731 0.62844965059365 15.999 3 O 0.65323785520066 0.09275537034269 0.12844965059366 15.999 4 O 0.34676214479934 0.59275537034269 0.37155034940635 15.999 5 O 0.89871468847153 0.52030109577530 0.86282721452713 15.999 6 O 0.10128531152847 0.02030109577530 0.63717278547287 15.999 7 O 0.10128531152847 0.47969890422470 0.13717278547287 15.999 8 O 0.89871468847153 0.97969890422470 0.36282721452713 15.999 9 O 0.50318425116728 0.89619503636038 0.19198961187441 15.999 10 O 0.49681574883272 0.39619503636038 0.30801038812559 15.999 11 O 0.49681574883272 0.10380496363962 0.80801038812559 15.999 12 O 0.50318425116728 0.60380496363962 0.69198961187441 15.999 13 O 0.80211863147732 0.60519101341547 0.62022812816060 15.999 14 O 0.19788136852268 0.10519101341547 0.87977187183940 15.999 15 O 0.19788136852268 0.39480898658453 0.37977187183940 15.999 16 O 0.80211863147732 0.89480898658453 0.12022812816060 15.999 17 O 0.48294809988015 0.64481286705300 0.19647947143774 15.999 18 O 0.10567905649540 0.72497135151025 0.61868509511318 15.999 19 O 0.89432094350460 0.27502864848975 0.38131490488682 15.999 20 O 0.10567905649540 0.77502864848975 0.11868509511318 15.999 21 O 0.71255978394327 0.82062519481343 0.48108325373844 15.999 22 O 0.28744021605673 0.32062519481343 0.01891674626156 15.999 23 O 0.28744021605673 0.17937480518657 0.51891674626156 15.999 24 O 0.71255978394327 0.67937480518657 0.98108325373844 15.999 25 O 0.88731410296527 0.82007175819753 0.73234459124139 15.999 26 O 0.11268589703473 0.32007175819753 0.76765540875861 15.999 27 O 0.11268589703473 0.17992824180247 0.26765540875861 15.999 28 O 0.88731410296527 0.67992824180247 0.23234459124139 15.999 29 O 0.35193431744554 0.97562479675529 0.36386888532287 15.999 30 O 0.64806568255446 0.47562479675529 0.13613111467713 15.999 31 O 0.64806568255446 0.02437520324471 0.63613111467713 15.999 32 O 0.35193431744554 0.52437520324471 0.86386888532287 15.999 33 O 0.85109539627066 0.94893261225654 0.89403408345154 15.999 34 O 0.14890460372934 0.44893261225654 0.60596591654846 15.999 35 O 0.14890460372934 0.05106738774346 0.10596591654846 15.999 36 O 0.85109539627066 0.55106738774346 0.39403408345154 15.999 37 O 0.48294809988015 0.85518713294700 0.69647947143774 15.999 38 O 0.51705190011985 0.35518713294700 0.80352052856226 15.999 39 O 0.51705190011985 0.14481286705300 0.30352052856226 15.999 40 O 0.89432094350460 0.22497135151025 0.88131490488682 15.999 41 F 0.75730467430312 0.28611448305686 0.06064168478893 18.998 42 F 0.24269532569688 0.78611448305686 0.43935831521107 18.998 43 F 0.75730467430312 0.21388551694314 0.56064168478893 18.998 44 F 0.24269532569688 0.71388551694314 0.93935831521107 18.998 45 Si 0.71323957471566 0.53512193161435 0.70852403219707 28.085 46 Si 0.12260709385209 0.24349822497873 0.89093969035778 28.085 47 Si 0.12260709385209 0.25650177502128 0.39093969035778 28.085 48 Si 0.87739290614791 0.75650177502128 0.10906030964222 28.085 49 Si 0.71440447392448 0.58746338387187 0.24113084649695 28.085 50 Si 0.28559552607552 0.08746338387187 0.25886915350305 28.085 51 Si 0.28559552607552 0.41253661612813 0.75886915350305 28.085 52 Si 0.71440447392448 0.91253661612813 0.74113084649695 28.085 53 Si 0.71323957471566 0.96487806838565 0.20852403219707 28.085 54 Si 0.28676042528434 0.46487806838565 0.29147596780293 28.085 55 Si 0.87739290614791 0.74349822497872 0.60906030964222 28.085 56 Si 0.28676042528434 0.03512193161435 0.79147596780293 28.085 57 Ho 0.25631799996933 0.53129507733493 0.01884603599200 164.930 58 Ho 0.74368200003067 0.03129507733493 0.48115396400800 164.930 59 Ho 0.74368200003067 0.46870492266507 0.98115396400800 164.930 60 Ho 0.25631799996933 0.96870492266507 0.51884603599200 164.930 61 Ho 0.40273070192145 0.77330674569057 0.31107605198038 164.930 62 Ho 0.59726929807855 0.27330674569057 0.18892394801962 164.930 63 Ho 0.59726929807855 0.22669325430943 0.68892394801962 164.930 64 Ho 0.40273070192145 0.72669325430943 0.81107605198038 164.930 65 Ho 0.19454064570537 0.90192148661767 0.99564626249095 164.930 66 Ho 0.80545935429463 0.40192148661767 0.50435373750905 164.930 67 Ho 0.80545935429463 0.09807851338233 0.00435373750905 164.930 68 Ho 0.19454064570537 0.59807851338233 0.49564626249095 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.571052920165942 0.000000000000000 0.000000000000000 b 0.000000000000000 11.065278500000000 0.000000000000000 c -5.974364687565261 0.000000000000000 10.235252617604623 Atomic positions (fractional): 1 O 0.17338107239967 0.90724462965731 0.87155034940635 15.999 > 1 2 O 0.67338107239967 0.90724462965731 0.87155034940635 15.999 > 1 3 O 0.32661892760033 0.40724462965731 0.62844965059365 15.999 > 3 4 O 0.82661892760033 0.40724462965731 0.62844965059365 15.999 > 3 5 O 0.32661892760033 0.09275537034269 0.12844965059366 15.999 > 5 6 O 0.82661892760033 0.09275537034269 0.12844965059366 15.999 > 5 7 O 0.17338107239967 0.59275537034269 0.37155034940635 15.999 > 7 8 O 0.67338107239967 0.59275537034269 0.37155034940635 15.999 > 7 9 O 0.44935734423577 0.52030109577530 0.86282721452713 15.999 > 9 10 O 0.94935734423577 0.52030109577530 0.86282721452713 15.999 > 9 11 O 0.05064265576424 0.02030109577530 0.63717278547287 15.999 > 11 12 O 0.55064265576423 0.02030109577530 0.63717278547287 15.999 > 11 13 O 0.05064265576424 0.47969890422470 0.13717278547287 15.999 > 13 14 O 0.55064265576423 0.47969890422470 0.13717278547287 15.999 > 13 15 O 0.44935734423577 0.97969890422470 0.36282721452713 15.999 > 15 16 O 0.94935734423577 0.97969890422470 0.36282721452713 15.999 > 15 17 O 0.25159212558364 0.89619503636038 0.19198961187441 15.999 > 17 18 O 0.75159212558364 0.89619503636038 0.19198961187441 15.999 > 17 19 O 0.24840787441636 0.39619503636038 0.30801038812559 15.999 > 19 20 O 0.74840787441636 0.39619503636038 0.30801038812559 15.999 > 19 21 O 0.24840787441636 0.10380496363962 0.80801038812559 15.999 > 21 22 O 0.74840787441636 0.10380496363962 0.80801038812559 15.999 > 21 23 O 0.25159212558364 0.60380496363962 0.69198961187441 15.999 > 23 24 O 0.75159212558364 0.60380496363962 0.69198961187441 15.999 > 23 25 O 0.40105931573866 0.60519101341547 0.62022812816060 15.999 > 25 26 O 0.90105931573866 0.60519101341547 0.62022812816060 15.999 > 25 27 O 0.09894068426134 0.10519101341547 0.87977187183940 15.999 > 27 28 O 0.59894068426134 0.10519101341547 0.87977187183940 15.999 > 27 29 O 0.09894068426134 0.39480898658453 0.37977187183940 15.999 > 29 30 O 0.59894068426134 0.39480898658453 0.37977187183940 15.999 > 29 31 O 0.40105931573866 0.89480898658453 0.12022812816060 15.999 > 31 32 O 0.90105931573866 0.89480898658453 0.12022812816060 15.999 > 31 33 O 0.24147404994008 0.64481286705300 0.19647947143774 15.999 > 33 34 O 0.74147404994008 0.64481286705300 0.19647947143774 15.999 > 33 35 O 0.05283952824770 0.72497135151025 0.61868509511318 15.999 > 35 36 O 0.55283952824770 0.72497135151025 0.61868509511318 15.999 > 35 37 O 0.44716047175230 0.27502864848975 0.38131490488682 15.999 > 37 38 O 0.94716047175230 0.27502864848975 0.38131490488682 15.999 > 37 39 O 0.05283952824770 0.77502864848975 0.11868509511318 15.999 > 39 40 O 0.55283952824770 0.77502864848975 0.11868509511318 15.999 > 39 41 O 0.35627989197164 0.82062519481343 0.48108325373844 15.999 > 41 42 O 0.85627989197164 0.82062519481343 0.48108325373844 15.999 > 41 43 O 0.14372010802836 0.32062519481343 0.01891674626156 15.999 > 43 44 O 0.64372010802836 0.32062519481343 0.01891674626156 15.999 > 43 45 O 0.14372010802836 0.17937480518657 0.51891674626156 15.999 > 45 46 O 0.64372010802836 0.17937480518657 0.51891674626156 15.999 > 45 47 O 0.35627989197164 0.67937480518657 0.98108325373844 15.999 > 47 48 O 0.85627989197164 0.67937480518657 0.98108325373844 15.999 > 47 49 O 0.44365705148264 0.82007175819753 0.73234459124139 15.999 > 49 50 O 0.94365705148264 0.82007175819753 0.73234459124139 15.999 > 49 51 O 0.05634294851737 0.32007175819753 0.76765540875861 15.999 > 51 52 O 0.55634294851736 0.32007175819753 0.76765540875861 15.999 > 51 53 O 0.05634294851737 0.17992824180247 0.26765540875861 15.999 > 53 54 O 0.55634294851736 0.17992824180247 0.26765540875861 15.999 > 53 55 O 0.44365705148264 0.67992824180247 0.23234459124139 15.999 > 55 56 O 0.94365705148264 0.67992824180247 0.23234459124139 15.999 > 55 57 O 0.17596715872277 0.97562479675529 0.36386888532287 15.999 > 57 58 O 0.67596715872277 0.97562479675529 0.36386888532287 15.999 > 57 59 O 0.32403284127723 0.47562479675529 0.13613111467713 15.999 > 59 60 O 0.82403284127723 0.47562479675529 0.13613111467713 15.999 > 59 61 O 0.32403284127723 0.02437520324471 0.63613111467713 15.999 > 61 62 O 0.82403284127723 0.02437520324471 0.63613111467713 15.999 > 61 63 O 0.17596715872277 0.52437520324471 0.86386888532287 15.999 > 63 64 O 0.67596715872277 0.52437520324471 0.86386888532287 15.999 > 63 65 O 0.42554769813533 0.94893261225654 0.89403408345154 15.999 > 65 66 O 0.92554769813533 0.94893261225654 0.89403408345154 15.999 > 65 67 O 0.07445230186467 0.44893261225654 0.60596591654846 15.999 > 67 68 O 0.57445230186467 0.44893261225654 0.60596591654846 15.999 > 67 69 O 0.07445230186467 0.05106738774346 0.10596591654846 15.999 > 69 70 O 0.57445230186467 0.05106738774346 0.10596591654846 15.999 > 69 71 O 0.42554769813533 0.55106738774346 0.39403408345154 15.999 > 71 72 O 0.92554769813533 0.55106738774346 0.39403408345154 15.999 > 71 73 O 0.24147404994008 0.85518713294700 0.69647947143774 15.999 > 73 74 O 0.74147404994008 0.85518713294700 0.69647947143774 15.999 > 73 75 O 0.25852595005992 0.35518713294700 0.80352052856226 15.999 > 75 76 O 0.75852595005992 0.35518713294700 0.80352052856226 15.999 > 75 77 O 0.25852595005992 0.14481286705300 0.30352052856226 15.999 > 77 78 O 0.75852595005992 0.14481286705300 0.30352052856226 15.999 > 77 79 O 0.44716047175230 0.22497135151025 0.88131490488682 15.999 > 79 80 O 0.94716047175230 0.22497135151025 0.88131490488682 15.999 > 79 81 F 0.37865233715156 0.28611448305686 0.06064168478893 18.998 > 81 82 F 0.87865233715156 0.28611448305686 0.06064168478893 18.998 > 81 83 F 0.12134766284844 0.78611448305686 0.43935831521107 18.998 > 83 84 F 0.62134766284844 0.78611448305686 0.43935831521107 18.998 > 83 85 F 0.37865233715156 0.21388551694314 0.56064168478893 18.998 > 85 86 F 0.87865233715156 0.21388551694314 0.56064168478893 18.998 > 85 87 F 0.12134766284844 0.71388551694314 0.93935831521107 18.998 > 87 88 F 0.62134766284844 0.71388551694314 0.93935831521107 18.998 > 87 89 Si 0.35661978735783 0.53512193161435 0.70852403219707 28.085 > 89 90 Si 0.85661978735783 0.53512193161435 0.70852403219707 28.085 > 89 91 Si 0.06130354692604 0.24349822497873 0.89093969035778 28.085 > 91 92 Si 0.56130354692604 0.24349822497873 0.89093969035778 28.085 > 91 93 Si 0.06130354692604 0.25650177502128 0.39093969035778 28.085 > 93 94 Si 0.56130354692604 0.25650177502128 0.39093969035778 28.085 > 93 95 Si 0.43869645307396 0.75650177502128 0.10906030964222 28.085 > 95 96 Si 0.93869645307396 0.75650177502128 0.10906030964222 28.085 > 95 97 Si 0.35720223696224 0.58746338387187 0.24113084649695 28.085 > 97 98 Si 0.85720223696224 0.58746338387187 0.24113084649695 28.085 > 97 99 Si 0.14279776303776 0.08746338387187 0.25886915350305 28.085 > 99 100 Si 0.64279776303776 0.08746338387187 0.25886915350305 28.085 > 99 101 Si 0.14279776303776 0.41253661612813 0.75886915350305 28.085 > 101 102 Si 0.64279776303776 0.41253661612813 0.75886915350305 28.085 > 101 103 Si 0.35720223696224 0.91253661612813 0.74113084649695 28.085 > 103 104 Si 0.85720223696224 0.91253661612813 0.74113084649695 28.085 > 103 105 Si 0.35661978735783 0.96487806838565 0.20852403219707 28.085 > 105 106 Si 0.85661978735783 0.96487806838565 0.20852403219707 28.085 > 105 107 Si 0.14338021264217 0.46487806838565 0.29147596780293 28.085 > 107 108 Si 0.64338021264217 0.46487806838565 0.29147596780293 28.085 > 107 109 Si 0.43869645307396 0.74349822497872 0.60906030964222 28.085 > 109 110 Si 0.93869645307396 0.74349822497872 0.60906030964222 28.085 > 109 111 Si 0.14338021264217 0.03512193161435 0.79147596780293 28.085 > 111 112 Si 0.64338021264217 0.03512193161435 0.79147596780293 28.085 > 111 113 Ho 0.12815899998467 0.53129507733493 0.01884603599200 164.930 > 113 114 Ho 0.62815899998467 0.53129507733493 0.01884603599200 164.930 > 113 115 Ho 0.37184100001533 0.03129507733493 0.48115396400800 164.930 > 115 116 Ho 0.87184100001533 0.03129507733493 0.48115396400800 164.930 > 115 117 Ho 0.37184100001533 0.46870492266507 0.98115396400800 164.930 > 117 118 Ho 0.87184100001533 0.46870492266507 0.98115396400800 164.930 > 117 119 Ho 0.12815899998467 0.96870492266507 0.51884603599200 164.930 > 119 120 Ho 0.62815899998467 0.96870492266507 0.51884603599200 164.930 > 119 121 Ho 0.20136535096072 0.77330674569057 0.31107605198038 164.930 > 121 122 Ho 0.70136535096072 0.77330674569057 0.31107605198038 164.930 > 121 123 Ho 0.29863464903928 0.27330674569057 0.18892394801962 164.930 > 123 124 Ho 0.79863464903928 0.27330674569057 0.18892394801962 164.930 > 123 125 Ho 0.29863464903928 0.22669325430943 0.68892394801962 164.930 > 125 126 Ho 0.79863464903928 0.22669325430943 0.68892394801962 164.930 > 125 127 Ho 0.20136535096072 0.72669325430943 0.81107605198038 164.930 > 127 128 Ho 0.70136535096072 0.72669325430943 0.81107605198038 164.930 > 127 129 Ho 0.09727032285269 0.90192148661767 0.99564626249095 164.930 > 129 130 Ho 0.59727032285269 0.90192148661767 0.99564626249095 164.930 > 129 131 Ho 0.40272967714731 0.40192148661767 0.50435373750905 164.930 > 131 132 Ho 0.90272967714731 0.40192148661767 0.50435373750905 164.930 > 131 133 Ho 0.40272967714731 0.09807851338233 0.00435373750905 164.930 > 133 134 Ho 0.90272967714731 0.09807851338233 0.00435373750905 164.930 > 133 135 Ho 0.09727032285269 0.59807851338233 0.49564626249095 164.930 > 135 136 Ho 0.59727032285269 0.59807851338233 0.49564626249095 164.930 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3156700 0.0000000 -0.0002571 0.0000000 3.2403519 0.0000000 -0.0002538 0.0000000 3.3714335 -------------------------- Born effective charges -------------------------- 1 O -1.8542185 0.1400754 0.5385248 0.1679716 -2.4270015 0.1170651 0.4886762 0.1412219 -1.7589372 2 O -1.8542185 -0.1400754 0.5385248 -0.1679716 -2.4270015 -0.1170651 0.4886762 -0.1412219 -1.7589372 3 O -1.8542185 0.1400754 0.5385248 0.1679716 -2.4270015 0.1170651 0.4886762 0.1412219 -1.7589372 4 O -1.8542185 -0.1400754 0.5385248 -0.1679716 -2.4270015 -0.1170651 0.4886762 -0.1412219 -1.7589372 5 O -2.2220724 -0.0858318 -0.3195870 -0.0893177 -1.2050506 0.1488759 -0.3616079 0.2079487 -2.6989411 6 O -2.2220724 0.0858318 -0.3195870 0.0893177 -1.2050506 -0.1488759 -0.3616079 -0.2079487 -2.6989411 7 O -2.2220724 -0.0858318 -0.3195870 -0.0893177 -1.2050506 0.1488759 -0.3616079 0.2079487 -2.6989411 8 O -2.2220724 0.0858318 -0.3195870 0.0893177 -1.2050506 -0.1488759 -0.3616079 -0.2079487 -2.6989411 9 O -2.3868664 -0.5769921 -0.2085004 -0.5709636 -1.7082895 0.1371731 -0.2201502 0.0451980 -2.0376145 10 O -2.3868664 0.5769921 -0.2085004 0.5709636 -1.7082895 -0.1371731 -0.2201502 -0.0451980 -2.0376145 11 O -2.3868664 -0.5769921 -0.2085004 -0.5709636 -1.7082895 0.1371731 -0.2201502 0.0451980 -2.0376145 12 O -2.3868664 0.5769921 -0.2085004 0.5709636 -1.7082895 -0.1371731 -0.2201502 -0.0451980 -2.0376145 13 O -1.8354797 -0.4942969 0.4720029 -0.5946980 -2.4490763 0.2337874 0.4048270 0.1890567 -1.4292922 14 O -1.8354797 0.4942969 0.4720029 0.5946980 -2.4490763 -0.2337874 0.4048270 -0.1890567 -1.4292922 15 O -1.8354797 -0.4942969 0.4720029 -0.5946980 -2.4490763 0.2337874 0.4048270 0.1890567 -1.4292922 16 O -1.8354797 0.4942969 0.4720029 0.5946980 -2.4490763 -0.2337874 0.4048270 -0.1890567 -1.4292922 17 O -2.1314974 0.3834355 -0.1152398 0.4276919 -1.8871406 -0.4652370 -0.0587288 -0.4673049 -1.8597272 18 O -2.5187388 0.3808649 -0.2330117 0.3570634 -1.5453052 -0.1795923 -0.2387914 -0.1736011 -1.9879989 19 O -2.5187388 0.3808649 -0.2330117 0.3570634 -1.5453052 -0.1795923 -0.2387914 -0.1736011 -1.9879989 20 O -2.5187388 -0.3808649 -0.2330117 -0.3570634 -1.5453052 0.1795923 -0.2387914 0.1736011 -1.9879989 21 O -1.5250584 0.0184097 -0.5382215 0.0322035 -2.1512105 0.1558267 -0.6023324 0.2458407 -2.3784644 22 O -1.5250584 -0.0184097 -0.5382215 -0.0322035 -2.1512105 -0.1558267 -0.6023324 -0.2458407 -2.3784644 23 O -1.5250584 0.0184097 -0.5382215 0.0322035 -2.1512105 0.1558267 -0.6023324 0.2458407 -2.3784644 24 O -1.5250584 -0.0184097 -0.5382215 -0.0322035 -2.1512105 -0.1558267 -0.6023324 -0.2458407 -2.3784644 25 O -1.9116415 0.6091229 0.2500192 0.7482274 -1.8508656 -0.4877311 0.3631228 -0.4636394 -1.8168623 26 O -1.9116415 -0.6091229 0.2500192 -0.7482274 -1.8508656 0.4877311 0.3631228 0.4636394 -1.8168623 27 O -1.9116415 0.6091229 0.2500192 0.7482274 -1.8508656 -0.4877311 0.3631228 -0.4636394 -1.8168623 28 O -1.9116415 -0.6091229 0.2500192 -0.7482274 -1.8508656 0.4877311 0.3631228 0.4636394 -1.8168623 29 O -1.9252553 -0.0359748 0.2790093 0.0607775 -2.0826716 0.2172090 0.3296873 0.2195509 -2.0800629 30 O -1.9252553 0.0359748 0.2790093 -0.0607775 -2.0826716 -0.2172090 0.3296873 -0.2195509 -2.0800629 31 O -1.9252553 -0.0359748 0.2790093 0.0607775 -2.0826716 0.2172090 0.3296873 0.2195509 -2.0800629 32 O -1.9252553 0.0359748 0.2790093 -0.0607775 -2.0826716 -0.2172090 0.3296873 -0.2195509 -2.0800629 33 O -1.9068034 0.3756475 -0.2819544 0.3676776 -1.5960577 -0.3628582 -0.2727611 -0.3793954 -2.4778610 34 O -1.9068034 -0.3756475 -0.2819544 -0.3676776 -1.5960577 0.3628582 -0.2727611 0.3793954 -2.4778610 35 O -1.9068034 0.3756475 -0.2819544 0.3676776 -1.5960577 -0.3628582 -0.2727611 -0.3793954 -2.4778610 36 O -1.9068034 -0.3756475 -0.2819544 -0.3676776 -1.5960577 0.3628582 -0.2727611 0.3793954 -2.4778610 37 O -2.1314974 -0.3834355 -0.1152398 -0.4276919 -1.8871406 0.4652370 -0.0587288 0.4673049 -1.8597272 38 O -2.1314974 0.3834355 -0.1152398 0.4276919 -1.8871406 -0.4652370 -0.0587288 -0.4673049 -1.8597272 39 O -2.1314974 -0.3834355 -0.1152398 -0.4276919 -1.8871406 0.4652370 -0.0587288 0.4673049 -1.8597272 40 O -2.5187388 -0.3808649 -0.2330117 -0.3570634 -1.5453052 0.1795923 -0.2387914 0.1736011 -1.9879989 41 F -1.1662116 0.1212836 0.3451948 0.0235194 -1.8966446 0.1446225 0.3610479 0.1144746 -1.1084473 42 F -1.1662116 -0.1212836 0.3451948 -0.0235194 -1.8966446 -0.1446225 0.3610479 -0.1144746 -1.1084473 43 F -1.1662116 -0.1212836 0.3451948 -0.0235194 -1.8966446 -0.1446225 0.3610479 -0.1144746 -1.1084473 44 F -1.1662116 0.1212836 0.3451948 0.0235194 -1.8966446 0.1446225 0.3610479 0.1144746 -1.1084473 45 Si 3.3224047 -0.2585972 -0.2066676 0.0397020 3.1238017 -0.1507890 -0.0132434 -0.0995810 3.3827777 46 Si 3.4971462 0.1971380 -0.0731301 0.2989816 3.5680332 0.0212604 0.0759909 0.3248805 3.0056037 47 Si 3.4971462 -0.1971380 -0.0731301 -0.2989816 3.5680332 -0.0212604 0.0759909 -0.3248805 3.0056037 48 Si 3.4971462 0.1971380 -0.0731301 0.2989816 3.5680332 0.0212604 0.0759909 0.3248805 3.0056037 49 Si 3.2379330 0.1015312 0.2663954 0.2912164 2.8789733 -0.0036913 -0.0712328 -0.0597811 3.3501829 50 Si 3.2379330 -0.1015312 0.2663954 -0.2912164 2.8789733 0.0036913 -0.0712328 0.0597811 3.3501829 51 Si 3.2379330 0.1015312 0.2663954 0.2912164 2.8789733 -0.0036913 -0.0712328 -0.0597811 3.3501829 52 Si 3.2379330 -0.1015312 0.2663954 -0.2912164 2.8789733 0.0036913 -0.0712328 0.0597811 3.3501829 53 Si 3.3224047 0.2585972 -0.2066676 -0.0397020 3.1238017 0.1507890 -0.0132434 0.0995810 3.3827777 54 Si 3.3224047 -0.2585972 -0.2066676 0.0397020 3.1238017 -0.1507890 -0.0132434 -0.0995810 3.3827777 55 Si 3.4971462 -0.1971380 -0.0731301 -0.2989816 3.5680332 -0.0212604 0.0759909 -0.3248805 3.0056037 56 Si 3.3224047 0.2585972 -0.2066676 -0.0397020 3.1238017 0.1507890 -0.0132434 0.0995810 3.3827777 57 Ho 3.8661931 0.1509144 0.0135569 0.1908051 3.6149569 0.0120534 -0.0170243 0.0579587 3.9231221 58 Ho 3.8661931 -0.1509144 0.0135569 -0.1908051 3.6149569 -0.0120534 -0.0170243 -0.0579587 3.9231221 59 Ho 3.8661931 0.1509144 0.0135569 0.1908051 3.6149569 0.0120534 -0.0170243 0.0579587 3.9231221 60 Ho 3.8661931 -0.1509144 0.0135569 -0.1908051 3.6149569 -0.0120534 -0.0170243 -0.0579587 3.9231221 61 Ho 3.4781974 0.2056240 -0.0436319 0.1252922 4.1117378 0.1523996 -0.0068488 0.2475459 3.9320157 62 Ho 3.4781974 -0.2056240 -0.0436319 -0.1252922 4.1117378 -0.1523996 -0.0068488 -0.2475459 3.9320157 63 Ho 3.4781974 0.2056240 -0.0436319 0.1252922 4.1117378 0.1523996 -0.0068488 0.2475459 3.9320157 64 Ho 3.4781974 -0.2056240 -0.0436319 -0.1252922 4.1117378 -0.1523996 -0.0068488 -0.2475459 3.9320157 65 Ho 3.9819690 -0.1785267 -0.1447590 -0.1869857 3.5018108 -0.0211983 -0.1606309 -0.0221000 4.0405069 66 Ho 3.9819690 0.1785267 -0.1447590 0.1869857 3.5018108 0.0211983 -0.1606309 0.0221000 4.0405069 67 Ho 3.9819690 -0.1785267 -0.1447590 -0.1869857 3.5018108 -0.0211983 -0.1606309 -0.0221000 4.0405069 68 Ho 3.9819690 0.1785267 -0.1447590 0.1869857 3.5018108 0.0211983 -0.1606309 0.0221000 4.0405069 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:58:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:58:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.285526460082971 0.000000000000000 0.000000000000000 b 0.000000000000000 11.065278500000000 0.000000000000000 c -5.974364687565261 0.000000000000000 10.235252617604623 Atomic positions (fractional): 1 O 0.34676214479934 0.90724462965731 0.87155034940635 15.999 2 O 0.65323785520066 0.40724462965731 0.62844965059365 15.999 3 O 0.65323785520066 0.09275537034269 0.12844965059366 15.999 4 O 0.34676214479934 0.59275537034269 0.37155034940635 15.999 5 O 0.89871468847153 0.52030109577530 0.86282721452713 15.999 6 O 0.10128531152847 0.02030109577530 0.63717278547287 15.999 7 O 0.10128531152847 0.47969890422470 0.13717278547287 15.999 8 O 0.89871468847153 0.97969890422470 0.36282721452713 15.999 9 O 0.50318425116728 0.89619503636038 0.19198961187441 15.999 10 O 0.49681574883272 0.39619503636038 0.30801038812559 15.999 11 O 0.49681574883272 0.10380496363962 0.80801038812559 15.999 12 O 0.50318425116728 0.60380496363962 0.69198961187441 15.999 13 O 0.80211863147732 0.60519101341547 0.62022812816060 15.999 14 O 0.19788136852268 0.10519101341547 0.87977187183940 15.999 15 O 0.19788136852268 0.39480898658453 0.37977187183940 15.999 16 O 0.80211863147732 0.89480898658453 0.12022812816060 15.999 17 O 0.48294809988015 0.64481286705300 0.19647947143774 15.999 18 O 0.10567905649540 0.72497135151025 0.61868509511318 15.999 19 O 0.89432094350460 0.27502864848975 0.38131490488682 15.999 20 O 0.10567905649540 0.77502864848975 0.11868509511318 15.999 21 O 0.71255978394327 0.82062519481343 0.48108325373844 15.999 22 O 0.28744021605673 0.32062519481343 0.01891674626156 15.999 23 O 0.28744021605673 0.17937480518657 0.51891674626156 15.999 24 O 0.71255978394327 0.67937480518657 0.98108325373844 15.999 25 O 0.88731410296527 0.82007175819753 0.73234459124139 15.999 26 O 0.11268589703473 0.32007175819753 0.76765540875861 15.999 27 O 0.11268589703473 0.17992824180247 0.26765540875861 15.999 28 O 0.88731410296527 0.67992824180247 0.23234459124139 15.999 29 O 0.35193431744554 0.97562479675529 0.36386888532287 15.999 30 O 0.64806568255446 0.47562479675529 0.13613111467713 15.999 31 O 0.64806568255446 0.02437520324471 0.63613111467713 15.999 32 O 0.35193431744554 0.52437520324471 0.86386888532287 15.999 33 O 0.85109539627066 0.94893261225654 0.89403408345154 15.999 34 O 0.14890460372934 0.44893261225654 0.60596591654846 15.999 35 O 0.14890460372934 0.05106738774346 0.10596591654846 15.999 36 O 0.85109539627066 0.55106738774346 0.39403408345154 15.999 37 O 0.48294809988015 0.85518713294700 0.69647947143774 15.999 38 O 0.51705190011985 0.35518713294700 0.80352052856226 15.999 39 O 0.51705190011985 0.14481286705300 0.30352052856226 15.999 40 O 0.89432094350460 0.22497135151025 0.88131490488682 15.999 41 F 0.75730467430312 0.28611448305686 0.06064168478893 18.998 42 F 0.24269532569688 0.78611448305686 0.43935831521107 18.998 43 F 0.75730467430312 0.21388551694314 0.56064168478893 18.998 44 F 0.24269532569688 0.71388551694314 0.93935831521107 18.998 45 Si 0.71323957471566 0.53512193161435 0.70852403219707 28.085 46 Si 0.12260709385209 0.24349822497873 0.89093969035778 28.085 47 Si 0.12260709385209 0.25650177502128 0.39093969035778 28.085 48 Si 0.87739290614791 0.75650177502128 0.10906030964222 28.085 49 Si 0.71440447392448 0.58746338387187 0.24113084649695 28.085 50 Si 0.28559552607552 0.08746338387187 0.25886915350305 28.085 51 Si 0.28559552607552 0.41253661612813 0.75886915350305 28.085 52 Si 0.71440447392448 0.91253661612813 0.74113084649695 28.085 53 Si 0.71323957471566 0.96487806838565 0.20852403219707 28.085 54 Si 0.28676042528434 0.46487806838565 0.29147596780293 28.085 55 Si 0.87739290614791 0.74349822497872 0.60906030964222 28.085 56 Si 0.28676042528434 0.03512193161435 0.79147596780293 28.085 57 Ho 0.25631799996933 0.53129507733493 0.01884603599200 164.930 58 Ho 0.74368200003067 0.03129507733493 0.48115396400800 164.930 59 Ho 0.74368200003067 0.46870492266507 0.98115396400800 164.930 60 Ho 0.25631799996933 0.96870492266507 0.51884603599200 164.930 61 Ho 0.40273070192145 0.77330674569057 0.31107605198038 164.930 62 Ho 0.59726929807855 0.27330674569057 0.18892394801962 164.930 63 Ho 0.59726929807855 0.22669325430943 0.68892394801962 164.930 64 Ho 0.40273070192145 0.72669325430943 0.81107605198038 164.930 65 Ho 0.19454064570537 0.90192148661767 0.99564626249095 164.930 66 Ho 0.80545935429463 0.40192148661767 0.50435373750905 164.930 67 Ho 0.80545935429463 0.09807851338233 0.00435373750905 164.930 68 Ho 0.19454064570537 0.59807851338233 0.49564626249095 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.571052920165942 0.000000000000000 0.000000000000000 b 0.000000000000000 11.065278500000000 0.000000000000000 c -5.974364687565261 0.000000000000000 10.235252617604623 Atomic positions (fractional): 1 O 0.17338107239967 0.90724462965731 0.87155034940635 15.999 > 1 2 O 0.67338107239967 0.90724462965731 0.87155034940635 15.999 > 1 3 O 0.32661892760033 0.40724462965731 0.62844965059365 15.999 > 3 4 O 0.82661892760033 0.40724462965731 0.62844965059365 15.999 > 3 5 O 0.32661892760033 0.09275537034269 0.12844965059366 15.999 > 5 6 O 0.82661892760033 0.09275537034269 0.12844965059366 15.999 > 5 7 O 0.17338107239967 0.59275537034269 0.37155034940635 15.999 > 7 8 O 0.67338107239967 0.59275537034269 0.37155034940635 15.999 > 7 9 O 0.44935734423577 0.52030109577530 0.86282721452713 15.999 > 9 10 O 0.94935734423577 0.52030109577530 0.86282721452713 15.999 > 9 11 O 0.05064265576424 0.02030109577530 0.63717278547287 15.999 > 11 12 O 0.55064265576423 0.02030109577530 0.63717278547287 15.999 > 11 13 O 0.05064265576424 0.47969890422470 0.13717278547287 15.999 > 13 14 O 0.55064265576423 0.47969890422470 0.13717278547287 15.999 > 13 15 O 0.44935734423577 0.97969890422470 0.36282721452713 15.999 > 15 16 O 0.94935734423577 0.97969890422470 0.36282721452713 15.999 > 15 17 O 0.25159212558364 0.89619503636038 0.19198961187441 15.999 > 17 18 O 0.75159212558364 0.89619503636038 0.19198961187441 15.999 > 17 19 O 0.24840787441636 0.39619503636038 0.30801038812559 15.999 > 19 20 O 0.74840787441636 0.39619503636038 0.30801038812559 15.999 > 19 21 O 0.24840787441636 0.10380496363962 0.80801038812559 15.999 > 21 22 O 0.74840787441636 0.10380496363962 0.80801038812559 15.999 > 21 23 O 0.25159212558364 0.60380496363962 0.69198961187441 15.999 > 23 24 O 0.75159212558364 0.60380496363962 0.69198961187441 15.999 > 23 25 O 0.40105931573866 0.60519101341547 0.62022812816060 15.999 > 25 26 O 0.90105931573866 0.60519101341547 0.62022812816060 15.999 > 25 27 O 0.09894068426134 0.10519101341547 0.87977187183940 15.999 > 27 28 O 0.59894068426134 0.10519101341547 0.87977187183940 15.999 > 27 29 O 0.09894068426134 0.39480898658453 0.37977187183940 15.999 > 29 30 O 0.59894068426134 0.39480898658453 0.37977187183940 15.999 > 29 31 O 0.40105931573866 0.89480898658453 0.12022812816060 15.999 > 31 32 O 0.90105931573866 0.89480898658453 0.12022812816060 15.999 > 31 33 O 0.24147404994008 0.64481286705300 0.19647947143774 15.999 > 33 34 O 0.74147404994008 0.64481286705300 0.19647947143774 15.999 > 33 35 O 0.05283952824770 0.72497135151025 0.61868509511318 15.999 > 35 36 O 0.55283952824770 0.72497135151025 0.61868509511318 15.999 > 35 37 O 0.44716047175230 0.27502864848975 0.38131490488682 15.999 > 37 38 O 0.94716047175230 0.27502864848975 0.38131490488682 15.999 > 37 39 O 0.05283952824770 0.77502864848975 0.11868509511318 15.999 > 39 40 O 0.55283952824770 0.77502864848975 0.11868509511318 15.999 > 39 41 O 0.35627989197164 0.82062519481343 0.48108325373844 15.999 > 41 42 O 0.85627989197164 0.82062519481343 0.48108325373844 15.999 > 41 43 O 0.14372010802836 0.32062519481343 0.01891674626156 15.999 > 43 44 O 0.64372010802836 0.32062519481343 0.01891674626156 15.999 > 43 45 O 0.14372010802836 0.17937480518657 0.51891674626156 15.999 > 45 46 O 0.64372010802836 0.17937480518657 0.51891674626156 15.999 > 45 47 O 0.35627989197164 0.67937480518657 0.98108325373844 15.999 > 47 48 O 0.85627989197164 0.67937480518657 0.98108325373844 15.999 > 47 49 O 0.44365705148264 0.82007175819753 0.73234459124139 15.999 > 49 50 O 0.94365705148264 0.82007175819753 0.73234459124139 15.999 > 49 51 O 0.05634294851737 0.32007175819753 0.76765540875861 15.999 > 51 52 O 0.55634294851736 0.32007175819753 0.76765540875861 15.999 > 51 53 O 0.05634294851737 0.17992824180247 0.26765540875861 15.999 > 53 54 O 0.55634294851736 0.17992824180247 0.26765540875861 15.999 > 53 55 O 0.44365705148264 0.67992824180247 0.23234459124139 15.999 > 55 56 O 0.94365705148264 0.67992824180247 0.23234459124139 15.999 > 55 57 O 0.17596715872277 0.97562479675529 0.36386888532287 15.999 > 57 58 O 0.67596715872277 0.97562479675529 0.36386888532287 15.999 > 57 59 O 0.32403284127723 0.47562479675529 0.13613111467713 15.999 > 59 60 O 0.82403284127723 0.47562479675529 0.13613111467713 15.999 > 59 61 O 0.32403284127723 0.02437520324471 0.63613111467713 15.999 > 61 62 O 0.82403284127723 0.02437520324471 0.63613111467713 15.999 > 61 63 O 0.17596715872277 0.52437520324471 0.86386888532287 15.999 > 63 64 O 0.67596715872277 0.52437520324471 0.86386888532287 15.999 > 63 65 O 0.42554769813533 0.94893261225654 0.89403408345154 15.999 > 65 66 O 0.92554769813533 0.94893261225654 0.89403408345154 15.999 > 65 67 O 0.07445230186467 0.44893261225654 0.60596591654846 15.999 > 67 68 O 0.57445230186467 0.44893261225654 0.60596591654846 15.999 > 67 69 O 0.07445230186467 0.05106738774346 0.10596591654846 15.999 > 69 70 O 0.57445230186467 0.05106738774346 0.10596591654846 15.999 > 69 71 O 0.42554769813533 0.55106738774346 0.39403408345154 15.999 > 71 72 O 0.92554769813533 0.55106738774346 0.39403408345154 15.999 > 71 73 O 0.24147404994008 0.85518713294700 0.69647947143774 15.999 > 73 74 O 0.74147404994008 0.85518713294700 0.69647947143774 15.999 > 73 75 O 0.25852595005992 0.35518713294700 0.80352052856226 15.999 > 75 76 O 0.75852595005992 0.35518713294700 0.80352052856226 15.999 > 75 77 O 0.25852595005992 0.14481286705300 0.30352052856226 15.999 > 77 78 O 0.75852595005992 0.14481286705300 0.30352052856226 15.999 > 77 79 O 0.44716047175230 0.22497135151025 0.88131490488682 15.999 > 79 80 O 0.94716047175230 0.22497135151025 0.88131490488682 15.999 > 79 81 F 0.37865233715156 0.28611448305686 0.06064168478893 18.998 > 81 82 F 0.87865233715156 0.28611448305686 0.06064168478893 18.998 > 81 83 F 0.12134766284844 0.78611448305686 0.43935831521107 18.998 > 83 84 F 0.62134766284844 0.78611448305686 0.43935831521107 18.998 > 83 85 F 0.37865233715156 0.21388551694314 0.56064168478893 18.998 > 85 86 F 0.87865233715156 0.21388551694314 0.56064168478893 18.998 > 85 87 F 0.12134766284844 0.71388551694314 0.93935831521107 18.998 > 87 88 F 0.62134766284844 0.71388551694314 0.93935831521107 18.998 > 87 89 Si 0.35661978735783 0.53512193161435 0.70852403219707 28.085 > 89 90 Si 0.85661978735783 0.53512193161435 0.70852403219707 28.085 > 89 91 Si 0.06130354692604 0.24349822497873 0.89093969035778 28.085 > 91 92 Si 0.56130354692604 0.24349822497873 0.89093969035778 28.085 > 91 93 Si 0.06130354692604 0.25650177502128 0.39093969035778 28.085 > 93 94 Si 0.56130354692604 0.25650177502128 0.39093969035778 28.085 > 93 95 Si 0.43869645307396 0.75650177502128 0.10906030964222 28.085 > 95 96 Si 0.93869645307396 0.75650177502128 0.10906030964222 28.085 > 95 97 Si 0.35720223696224 0.58746338387187 0.24113084649695 28.085 > 97 98 Si 0.85720223696224 0.58746338387187 0.24113084649695 28.085 > 97 99 Si 0.14279776303776 0.08746338387187 0.25886915350305 28.085 > 99 100 Si 0.64279776303776 0.08746338387187 0.25886915350305 28.085 > 99 101 Si 0.14279776303776 0.41253661612813 0.75886915350305 28.085 > 101 102 Si 0.64279776303776 0.41253661612813 0.75886915350305 28.085 > 101 103 Si 0.35720223696224 0.91253661612813 0.74113084649695 28.085 > 103 104 Si 0.85720223696224 0.91253661612813 0.74113084649695 28.085 > 103 105 Si 0.35661978735783 0.96487806838565 0.20852403219707 28.085 > 105 106 Si 0.85661978735783 0.96487806838565 0.20852403219707 28.085 > 105 107 Si 0.14338021264217 0.46487806838565 0.29147596780293 28.085 > 107 108 Si 0.64338021264217 0.46487806838565 0.29147596780293 28.085 > 107 109 Si 0.43869645307396 0.74349822497872 0.60906030964222 28.085 > 109 110 Si 0.93869645307396 0.74349822497872 0.60906030964222 28.085 > 109 111 Si 0.14338021264217 0.03512193161435 0.79147596780293 28.085 > 111 112 Si 0.64338021264217 0.03512193161435 0.79147596780293 28.085 > 111 113 Ho 0.12815899998467 0.53129507733493 0.01884603599200 164.930 > 113 114 Ho 0.62815899998467 0.53129507733493 0.01884603599200 164.930 > 113 115 Ho 0.37184100001533 0.03129507733493 0.48115396400800 164.930 > 115 116 Ho 0.87184100001533 0.03129507733493 0.48115396400800 164.930 > 115 117 Ho 0.37184100001533 0.46870492266507 0.98115396400800 164.930 > 117 118 Ho 0.87184100001533 0.46870492266507 0.98115396400800 164.930 > 117 119 Ho 0.12815899998467 0.96870492266507 0.51884603599200 164.930 > 119 120 Ho 0.62815899998467 0.96870492266507 0.51884603599200 164.930 > 119 121 Ho 0.20136535096072 0.77330674569057 0.31107605198038 164.930 > 121 122 Ho 0.70136535096072 0.77330674569057 0.31107605198038 164.930 > 121 123 Ho 0.29863464903928 0.27330674569057 0.18892394801962 164.930 > 123 124 Ho 0.79863464903928 0.27330674569057 0.18892394801962 164.930 > 123 125 Ho 0.29863464903928 0.22669325430943 0.68892394801962 164.930 > 125 126 Ho 0.79863464903928 0.22669325430943 0.68892394801962 164.930 > 125 127 Ho 0.20136535096072 0.72669325430943 0.81107605198038 164.930 > 127 128 Ho 0.70136535096072 0.72669325430943 0.81107605198038 164.930 > 127 129 Ho 0.09727032285269 0.90192148661767 0.99564626249095 164.930 > 129 130 Ho 0.59727032285269 0.90192148661767 0.99564626249095 164.930 > 129 131 Ho 0.40272967714731 0.40192148661767 0.50435373750905 164.930 > 131 132 Ho 0.90272967714731 0.40192148661767 0.50435373750905 164.930 > 131 133 Ho 0.40272967714731 0.09807851338233 0.00435373750905 164.930 > 133 134 Ho 0.90272967714731 0.09807851338233 0.00435373750905 164.930 > 133 135 Ho 0.09727032285269 0.59807851338233 0.49564626249095 164.930 > 135 136 Ho 0.59727032285269 0.59807851338233 0.49564626249095 164.930 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3156700 0.0000000 -0.0002571 0.0000000 3.2403519 0.0000000 -0.0002538 0.0000000 3.3714335 -------------------------- Born effective charges -------------------------- 1 O -1.8542185 0.1400754 0.5385248 0.1679716 -2.4270015 0.1170651 0.4886762 0.1412219 -1.7589372 2 O -1.8542185 -0.1400754 0.5385248 -0.1679716 -2.4270015 -0.1170651 0.4886762 -0.1412219 -1.7589372 3 O -1.8542185 0.1400754 0.5385248 0.1679716 -2.4270015 0.1170651 0.4886762 0.1412219 -1.7589372 4 O -1.8542185 -0.1400754 0.5385248 -0.1679716 -2.4270015 -0.1170651 0.4886762 -0.1412219 -1.7589372 5 O -2.2220724 -0.0858318 -0.3195870 -0.0893177 -1.2050506 0.1488759 -0.3616079 0.2079487 -2.6989411 6 O -2.2220724 0.0858318 -0.3195870 0.0893177 -1.2050506 -0.1488759 -0.3616079 -0.2079487 -2.6989411 7 O -2.2220724 -0.0858318 -0.3195870 -0.0893177 -1.2050506 0.1488759 -0.3616079 0.2079487 -2.6989411 8 O -2.2220724 0.0858318 -0.3195870 0.0893177 -1.2050506 -0.1488759 -0.3616079 -0.2079487 -2.6989411 9 O -2.3868664 -0.5769921 -0.2085004 -0.5709636 -1.7082895 0.1371731 -0.2201502 0.0451980 -2.0376145 10 O -2.3868664 0.5769921 -0.2085004 0.5709636 -1.7082895 -0.1371731 -0.2201502 -0.0451980 -2.0376145 11 O -2.3868664 -0.5769921 -0.2085004 -0.5709636 -1.7082895 0.1371731 -0.2201502 0.0451980 -2.0376145 12 O -2.3868664 0.5769921 -0.2085004 0.5709636 -1.7082895 -0.1371731 -0.2201502 -0.0451980 -2.0376145 13 O -1.8354797 -0.4942969 0.4720029 -0.5946980 -2.4490763 0.2337874 0.4048270 0.1890567 -1.4292922 14 O -1.8354797 0.4942969 0.4720029 0.5946980 -2.4490763 -0.2337874 0.4048270 -0.1890567 -1.4292922 15 O -1.8354797 -0.4942969 0.4720029 -0.5946980 -2.4490763 0.2337874 0.4048270 0.1890567 -1.4292922 16 O -1.8354797 0.4942969 0.4720029 0.5946980 -2.4490763 -0.2337874 0.4048270 -0.1890567 -1.4292922 17 O -2.1314974 0.3834355 -0.1152398 0.4276919 -1.8871406 -0.4652370 -0.0587288 -0.4673049 -1.8597272 18 O -2.5187388 0.3808649 -0.2330117 0.3570634 -1.5453052 -0.1795923 -0.2387914 -0.1736011 -1.9879989 19 O -2.5187388 0.3808649 -0.2330117 0.3570634 -1.5453052 -0.1795923 -0.2387914 -0.1736011 -1.9879989 20 O -2.5187388 -0.3808649 -0.2330117 -0.3570634 -1.5453052 0.1795923 -0.2387914 0.1736011 -1.9879989 21 O -1.5250584 0.0184097 -0.5382215 0.0322035 -2.1512105 0.1558267 -0.6023324 0.2458407 -2.3784644 22 O -1.5250584 -0.0184097 -0.5382215 -0.0322035 -2.1512105 -0.1558267 -0.6023324 -0.2458407 -2.3784644 23 O -1.5250584 0.0184097 -0.5382215 0.0322035 -2.1512105 0.1558267 -0.6023324 0.2458407 -2.3784644 24 O -1.5250584 -0.0184097 -0.5382215 -0.0322035 -2.1512105 -0.1558267 -0.6023324 -0.2458407 -2.3784644 25 O -1.9116415 0.6091229 0.2500192 0.7482274 -1.8508656 -0.4877311 0.3631228 -0.4636394 -1.8168623 26 O -1.9116415 -0.6091229 0.2500192 -0.7482274 -1.8508656 0.4877311 0.3631228 0.4636394 -1.8168623 27 O -1.9116415 0.6091229 0.2500192 0.7482274 -1.8508656 -0.4877311 0.3631228 -0.4636394 -1.8168623 28 O -1.9116415 -0.6091229 0.2500192 -0.7482274 -1.8508656 0.4877311 0.3631228 0.4636394 -1.8168623 29 O -1.9252553 -0.0359748 0.2790093 0.0607775 -2.0826716 0.2172090 0.3296873 0.2195509 -2.0800629 30 O -1.9252553 0.0359748 0.2790093 -0.0607775 -2.0826716 -0.2172090 0.3296873 -0.2195509 -2.0800629 31 O -1.9252553 -0.0359748 0.2790093 0.0607775 -2.0826716 0.2172090 0.3296873 0.2195509 -2.0800629 32 O -1.9252553 0.0359748 0.2790093 -0.0607775 -2.0826716 -0.2172090 0.3296873 -0.2195509 -2.0800629 33 O -1.9068034 0.3756475 -0.2819544 0.3676776 -1.5960577 -0.3628582 -0.2727611 -0.3793954 -2.4778610 34 O -1.9068034 -0.3756475 -0.2819544 -0.3676776 -1.5960577 0.3628582 -0.2727611 0.3793954 -2.4778610 35 O -1.9068034 0.3756475 -0.2819544 0.3676776 -1.5960577 -0.3628582 -0.2727611 -0.3793954 -2.4778610 36 O -1.9068034 -0.3756475 -0.2819544 -0.3676776 -1.5960577 0.3628582 -0.2727611 0.3793954 -2.4778610 37 O -2.1314974 -0.3834355 -0.1152398 -0.4276919 -1.8871406 0.4652370 -0.0587288 0.4673049 -1.8597272 38 O -2.1314974 0.3834355 -0.1152398 0.4276919 -1.8871406 -0.4652370 -0.0587288 -0.4673049 -1.8597272 39 O -2.1314974 -0.3834355 -0.1152398 -0.4276919 -1.8871406 0.4652370 -0.0587288 0.4673049 -1.8597272 40 O -2.5187388 -0.3808649 -0.2330117 -0.3570634 -1.5453052 0.1795923 -0.2387914 0.1736011 -1.9879989 41 F -1.1662116 0.1212836 0.3451948 0.0235194 -1.8966446 0.1446225 0.3610479 0.1144746 -1.1084473 42 F -1.1662116 -0.1212836 0.3451948 -0.0235194 -1.8966446 -0.1446225 0.3610479 -0.1144746 -1.1084473 43 F -1.1662116 -0.1212836 0.3451948 -0.0235194 -1.8966446 -0.1446225 0.3610479 -0.1144746 -1.1084473 44 F -1.1662116 0.1212836 0.3451948 0.0235194 -1.8966446 0.1446225 0.3610479 0.1144746 -1.1084473 45 Si 3.3224047 -0.2585972 -0.2066676 0.0397020 3.1238017 -0.1507890 -0.0132434 -0.0995810 3.3827777 46 Si 3.4971462 0.1971380 -0.0731301 0.2989816 3.5680332 0.0212604 0.0759909 0.3248805 3.0056037 47 Si 3.4971462 -0.1971380 -0.0731301 -0.2989816 3.5680332 -0.0212604 0.0759909 -0.3248805 3.0056037 48 Si 3.4971462 0.1971380 -0.0731301 0.2989816 3.5680332 0.0212604 0.0759909 0.3248805 3.0056037 49 Si 3.2379330 0.1015312 0.2663954 0.2912164 2.8789733 -0.0036913 -0.0712328 -0.0597811 3.3501829 50 Si 3.2379330 -0.1015312 0.2663954 -0.2912164 2.8789733 0.0036913 -0.0712328 0.0597811 3.3501829 51 Si 3.2379330 0.1015312 0.2663954 0.2912164 2.8789733 -0.0036913 -0.0712328 -0.0597811 3.3501829 52 Si 3.2379330 -0.1015312 0.2663954 -0.2912164 2.8789733 0.0036913 -0.0712328 0.0597811 3.3501829 53 Si 3.3224047 0.2585972 -0.2066676 -0.0397020 3.1238017 0.1507890 -0.0132434 0.0995810 3.3827777 54 Si 3.3224047 -0.2585972 -0.2066676 0.0397020 3.1238017 -0.1507890 -0.0132434 -0.0995810 3.3827777 55 Si 3.4971462 -0.1971380 -0.0731301 -0.2989816 3.5680332 -0.0212604 0.0759909 -0.3248805 3.0056037 56 Si 3.3224047 0.2585972 -0.2066676 -0.0397020 3.1238017 0.1507890 -0.0132434 0.0995810 3.3827777 57 Ho 3.8661931 0.1509144 0.0135569 0.1908051 3.6149569 0.0120534 -0.0170243 0.0579587 3.9231221 58 Ho 3.8661931 -0.1509144 0.0135569 -0.1908051 3.6149569 -0.0120534 -0.0170243 -0.0579587 3.9231221 59 Ho 3.8661931 0.1509144 0.0135569 0.1908051 3.6149569 0.0120534 -0.0170243 0.0579587 3.9231221 60 Ho 3.8661931 -0.1509144 0.0135569 -0.1908051 3.6149569 -0.0120534 -0.0170243 -0.0579587 3.9231221 61 Ho 3.4781974 0.2056240 -0.0436319 0.1252922 4.1117378 0.1523996 -0.0068488 0.2475459 3.9320157 62 Ho 3.4781974 -0.2056240 -0.0436319 -0.1252922 4.1117378 -0.1523996 -0.0068488 -0.2475459 3.9320157 63 Ho 3.4781974 0.2056240 -0.0436319 0.1252922 4.1117378 0.1523996 -0.0068488 0.2475459 3.9320157 64 Ho 3.4781974 -0.2056240 -0.0436319 -0.1252922 4.1117378 -0.1523996 -0.0068488 -0.2475459 3.9320157 65 Ho 3.9819690 -0.1785267 -0.1447590 -0.1869857 3.5018108 -0.0211983 -0.1606309 -0.0221000 4.0405069 66 Ho 3.9819690 0.1785267 -0.1447590 0.1869857 3.5018108 0.0211983 -0.1606309 0.0221000 4.0405069 67 Ho 3.9819690 -0.1785267 -0.1447590 -0.1869857 3.5018108 -0.0211983 -0.1606309 -0.0221000 4.0405069 68 Ho 3.9819690 0.1785267 -0.1447590 0.1869857 3.5018108 0.0211983 -0.1606309 0.0221000 4.0405069 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 8 5 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: 0.44, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 7.831 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.824 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 10.797 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.424 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 12.204 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 12.257 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 0.000) 0.000 12.409 ( 0.000 0.000 0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.057 ( 0.000 0.000 0.000) 0.000 13.058 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.106 ( 0.000 0.000 0.000) 0.000 13.179 ( 0.000 0.000 0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 13.377 ( 0.000 0.000 0.000) 0.000 13.523 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.929 ( 0.000 0.000 0.000) 0.000 14.154 ( 0.000 0.000 0.000) 0.000 14.191 ( 0.000 0.000 0.000) 0.000 14.193 ( 0.000 0.000 0.000) 0.000 14.315 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 14.641 ( 0.000 0.000 0.000) 0.000 14.677 ( 0.000 0.000 0.000) 0.000 14.812 ( 0.000 0.000 0.000) 0.000 15.072 ( 0.000 0.000 0.000) 0.000 15.263 ( 0.000 0.000 0.000) 0.000 15.401 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.630 ( 0.000 0.000 0.000) 0.000 15.634 ( 0.000 0.000 0.000) 0.000 15.910 ( 0.000 0.000 0.000) 0.000 16.157 ( 0.000 0.000 0.000) 0.000 16.178 ( 0.000 0.000 0.000) 0.000 16.374 ( 0.000 0.000 0.000) 0.000 16.410 ( 0.000 0.000 0.000) 0.000 16.496 ( 0.000 0.000 0.000) 0.000 16.652 ( 0.000 0.000 0.000) 0.000 16.717 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 19.100 ( 0.000 0.000 0.000) 0.000 19.287 ( 0.000 0.000 0.000) 0.000 19.532 ( 0.000 0.000 0.000) 0.000 19.778 ( 0.000 0.000 0.000) 0.000 20.832 ( 0.000 0.000 0.000) 0.000 21.024 ( 0.000 0.000 0.000) 0.000 21.180 ( 0.000 0.000 0.000) 0.000 21.237 ( 0.000 0.000 0.000) 0.000 24.975 ( 0.000 0.000 0.000) 0.000 24.993 ( 0.000 0.000 0.000) 0.000 25.275 ( 0.000 0.000 0.000) 0.000 25.394 ( 0.000 0.000 0.000) 0.000 26.020 ( 0.000 0.000 0.000) 0.000 26.071 ( 0.000 0.000 0.000) 0.000 26.113 ( 0.000 0.000 0.000) 0.000 26.131 ( 0.000 0.000 0.000) 0.000 26.435 ( 0.000 0.000 0.000) 0.000 26.622 ( 0.000 0.000 0.000) 0.000 26.932 ( 0.000 0.000 0.000) 0.000 27.125 ( 0.000 0.000 0.000) 0.000 27.126 ( 0.000 0.000 0.000) 0.000 27.230 ( 0.000 0.000 0.000) 0.000 27.332 ( 0.000 0.000 0.000) 0.000 27.509 ( 0.000 0.000 0.000) 0.000 27.537 ( 0.000 0.000 0.000) 0.000 27.651 ( 0.000 0.000 0.000) 0.000 27.822 ( 0.000 0.000 0.000) 0.000 27.956 ( 0.000 0.000 0.000) 0.000 28.149 ( 0.000 0.000 0.000) 0.000 28.212 ( 0.000 0.000 0.000) 0.000 28.224 ( 0.000 0.000 0.000) 0.000 28.257 ( 0.000 0.000 0.000) 0.000 28.547 ( 0.000 0.000 0.000) 0.000 28.553 ( 0.000 0.000 0.000) 0.000 28.620 ( 0.000 0.000 0.000) 0.000 28.819 ( 0.000 0.000 0.000) 0.000 29.019 ( 0.000 0.000 0.000) 0.000 29.373 ( 0.000 0.000 0.000) 0.000 29.470 ( 0.000 0.000 0.000) 0.000 29.480 ( 0.000 0.000 0.000) 0.000 29.667 ( 0.000 0.000 0.000) 0.000 29.747 ( 0.000 0.000 0.000) 0.000 29.891 ( 0.000 0.000 0.000) 0.000 30.115 ( 0.000 0.000 0.000) 0.000 30.352 ( 0.000 0.000 0.000) 0.000 30.712 ( 0.000 0.000 0.000) 0.000 30.751 ( 0.000 0.000 0.000) 0.000 30.986 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 25.306 0.000 6.492) 26.126 0.605 ( 36.565 0.000 -3.834) 36.766 1.262 ( 45.768 0.000 41.398) 61.712 1.969 ( 11.156 0.000 13.788) 17.736 2.258 ( -6.106 0.000 12.331) 13.760 2.293 ( 8.893 0.000 -10.401) 13.685 2.337 ( 6.874 0.000 4.278) 8.096 2.401 ( -2.410 0.000 3.899) 4.584 2.437 ( 4.399 0.000 -1.249) 4.573 2.484 ( -2.342 0.000 -1.082) 2.580 2.636 ( 2.508 0.000 -11.081) 11.361 2.743 ( 0.463 0.000 -3.144) 3.178 2.747 ( -0.579 0.000 3.050) 3.104 2.827 ( 1.898 0.000 1.300) 2.300 2.843 ( -3.593 0.000 3.759) 5.200 2.885 ( 0.277 0.000 -5.945) 5.952 3.020 ( -2.568 0.000 -5.469) 6.042 3.096 ( 3.839 0.000 5.413) 6.637 3.114 ( -1.925 0.000 1.181) 2.259 3.184 ( -0.808 0.000 -4.122) 4.200 3.240 ( -7.370 0.000 17.741) 19.212 3.333 ( -4.550 0.000 -1.351) 4.746 3.406 ( 1.954 0.000 -3.387) 3.910 3.688 ( -4.421 0.000 1.196) 4.580 3.759 ( 10.755 0.000 7.599) 13.168 3.844 ( 1.011 0.000 1.784) 2.051 3.865 ( -0.214 0.000 -1.913) 1.925 3.895 ( -4.650 0.000 -5.791) 7.426 4.011 ( 3.629 0.000 0.510) 3.665 4.049 ( -3.008 0.000 -1.193) 3.236 4.121 ( 1.951 0.000 0.659) 2.060 4.186 ( -5.368 0.000 -6.101) 8.126 4.318 ( -2.062 0.000 1.108) 2.341 4.392 ( 3.987 0.000 2.037) 4.477 4.529 ( -3.601 0.000 -4.800) 6.001 4.542 ( 0.272 0.000 -0.206) 0.341 4.625 ( -1.354 0.000 -3.547) 3.796 4.684 ( -2.558 0.000 -2.723) 3.737 4.720 ( 0.626 0.000 6.036) 6.069 4.750 ( -2.961 0.000 6.135) 6.812 4.835 ( 1.927 0.000 -0.561) 2.007 4.931 ( -1.233 0.000 1.442) 1.898 5.087 ( -2.876 0.000 1.801) 3.393 5.128 ( -3.395 0.000 1.186) 3.596 5.243 ( -0.008 0.000 -2.895) 2.895 5.283 ( -1.507 0.000 -11.319) 11.419 5.323 ( -0.936 0.000 -10.021) 10.065 5.446 ( -6.109 0.000 0.924) 6.178 5.448 ( 1.020 0.000 -3.194) 3.353 5.519 ( 2.212 0.000 -1.323) 2.577 5.595 ( 1.477 0.000 3.041) 3.381 5.633 ( -3.907 0.000 -4.615) 6.046 5.861 ( -0.278 0.000 0.490) 0.563 5.909 ( -0.114 0.000 2.487) 2.490 5.920 ( -6.087 0.000 2.137) 6.451 5.960 ( -0.592 0.000 -3.191) 3.245 6.155 ( -0.475 0.000 -0.919) 1.034 6.171 ( -1.851 0.000 0.504) 1.918 6.178 ( 3.796 0.000 3.042) 4.864 6.214 ( 0.449 0.000 -1.214) 1.295 6.320 ( 4.062 0.000 -0.134) 4.064 6.393 ( -7.738 0.000 -1.701) 7.923 6.524 ( -0.663 0.000 1.753) 1.874 6.548 ( 0.265 0.000 1.849) 1.868 6.757 ( -0.920 0.000 -0.363) 0.989 6.938 ( -5.554 0.000 2.948) 6.288 7.027 ( -2.780 0.000 -0.485) 2.822 7.080 ( 10.955 0.000 -6.485) 12.731 7.188 ( -0.009 0.000 -3.730) 3.730 7.305 ( 1.130 0.000 -0.075) 1.133 7.482 ( 1.951 0.000 -2.080) 2.852 7.521 ( 2.782 0.000 3.308) 4.322 7.648 ( -3.301 0.000 2.843) 4.356 7.661 ( -0.481 0.000 2.356) 2.405 7.852 ( 1.587 0.000 2.433) 2.905 7.962 ( -2.819 0.000 0.619) 2.886 8.225 ( -18.160 0.000 27.558) 33.003 8.428 ( -1.115 0.000 0.556) 1.246 8.434 ( -5.241 0.000 -1.555) 5.467 8.474 ( -2.261 0.000 1.008) 2.475 8.583 ( 0.096 0.000 -1.367) 1.371 8.709 ( -5.146 0.000 -2.610) 5.770 8.847 ( 5.307 0.000 -1.525) 5.522 8.853 ( 1.628 0.000 -1.631) 2.305 9.007 ( -2.731 0.000 -0.015) 2.731 9.015 ( 1.827 0.000 -0.523) 1.900 9.104 ( -9.591 0.000 2.807) 9.994 9.166 ( -5.402 0.000 0.873) 5.472 9.244 ( 1.960 0.000 -1.682) 2.583 9.338 ( -1.844 0.000 -4.037) 4.439 9.514 ( 5.975 0.000 -1.303) 6.115 9.558 ( -2.922 0.000 4.596) 5.446 9.589 ( 14.361 0.000 -23.387) 27.444 9.741 ( 10.390 0.000 -2.048) 10.590 9.922 ( -0.157 0.000 0.117) 0.196 10.108 ( -3.337 0.000 1.312) 3.586 10.133 ( -2.314 0.000 2.606) 3.485 10.272 ( 3.474 0.000 -3.112) 4.664 10.288 ( 2.563 0.000 -4.750) 5.398 10.358 ( 0.740 0.000 0.355) 0.821 10.677 ( -7.768 0.000 9.952) 12.624 10.800 ( 0.382 0.000 -0.147) 0.409 10.881 ( -0.805 0.000 2.429) 2.559 10.918 ( 2.327 0.000 0.598) 2.402 11.074 ( 3.390 0.000 5.195) 6.204 11.239 ( -3.845 0.000 -3.632) 5.289 11.297 ( -7.666 0.000 -2.089) 7.946 11.362 ( -1.962 0.000 -9.827) 10.021 11.810 ( 3.697 0.000 8.783) 9.529 11.967 ( 2.546 0.000 2.088) 3.293 12.085 ( -3.223 0.000 2.540) 4.103 12.196 ( -3.941 0.000 1.598) 4.252 12.237 ( 1.543 0.000 5.333) 5.552 12.282 ( 1.487 0.000 2.364) 2.793 12.306 ( 0.948 0.000 2.842) 2.996 12.375 ( -1.250 0.000 -1.084) 1.655 12.541 ( 4.171 0.000 -0.357) 4.187 12.614 ( -3.329 0.000 2.936) 4.438 12.758 ( 0.022 0.000 -0.757) 0.757 12.873 ( 1.155 0.000 -3.404) 3.595 12.919 ( -7.264 0.000 2.308) 7.622 13.027 ( -1.225 0.000 -1.640) 2.047 13.069 ( 2.262 0.000 -0.890) 2.431 13.116 ( -0.178 0.000 -2.228) 2.235 13.194 ( 4.153 0.000 0.374) 4.170 13.212 ( 2.037 0.000 1.644) 2.618 13.378 ( 0.969 0.000 -0.804) 1.260 13.550 ( 0.059 0.000 11.318) 11.318 13.568 ( 2.392 0.000 3.913) 4.586 13.631 ( -9.611 0.000 -1.757) 9.770 13.693 ( 4.291 0.000 3.183) 5.342 13.841 ( -8.084 0.000 1.598) 8.240 14.176 ( 2.566 0.000 1.983) 3.243 14.288 ( 6.408 0.000 -0.756) 6.453 14.307 ( 0.292 0.000 -2.005) 2.026 14.413 ( -2.628 0.000 4.427) 5.149 14.568 ( -5.033 0.000 -4.553) 6.787 14.640 ( 0.960 0.000 -1.416) 1.711 14.811 ( 7.292 0.000 -23.223) 24.341 14.818 ( -1.900 0.000 3.840) 4.285 15.089 ( 2.558 0.000 -2.519) 3.590 15.250 ( -1.015 0.000 -1.436) 1.759 15.389 ( 0.299 0.000 -2.478) 2.496 15.445 ( -1.657 0.000 4.330) 4.637 15.481 ( -1.449 0.000 -6.433) 6.594 15.591 ( -1.635 0.000 -2.615) 3.084 15.735 ( 15.224 0.000 -26.688) 30.725 15.910 ( -3.611 0.000 5.135) 6.278 16.135 ( -0.791 0.000 0.092) 0.796 16.139 ( -1.071 0.000 -4.881) 4.997 16.389 ( -7.255 0.000 4.602) 8.591 16.413 ( 2.477 0.000 2.097) 3.246 16.523 ( 2.319 0.000 3.529) 4.223 16.785 ( 6.034 0.000 0.386) 6.046 16.831 ( 9.292 0.000 -1.053) 9.351 16.859 ( 7.947 0.000 -2.949) 8.477 19.273 ( -0.770 0.000 -0.651) 1.008 19.300 ( 6.448 0.000 -16.338) 17.564 19.535 ( -0.199 0.000 0.564) 0.598 19.765 ( -0.778 0.000 -1.380) 1.585 20.859 ( 2.226 0.000 1.174) 2.516 21.042 ( 2.768 0.000 -1.727) 3.263 21.221 ( -2.194 0.000 0.616) 2.278 21.344 ( -8.209 0.000 9.790) 12.776 24.993 ( 0.372 0.000 -0.211) 0.428 25.009 ( -2.479 0.000 7.354) 7.761 25.343 ( 3.834 0.000 5.947) 7.076 25.408 ( 1.217 0.000 0.532) 1.328 25.972 ( -0.553 0.000 -4.608) 4.641 26.076 ( 0.394 0.000 -5.872) 5.885 26.121 ( 1.098 0.000 3.686) 3.846 26.154 ( -0.991 0.000 3.777) 3.904 26.673 ( 2.851 0.000 4.419) 5.258 26.929 ( -0.936 0.000 2.063) 2.266 27.042 ( 1.034 0.000 -3.417) 3.570 27.142 ( 5.034 0.000 -4.673) 6.869 27.149 ( 3.554 0.000 -2.425) 4.303 27.238 ( -3.678 0.000 5.878) 6.934 27.328 ( 1.104 0.000 -1.742) 2.062 27.490 ( -1.091 0.000 -0.778) 1.340 27.553 ( 1.586 0.000 -0.107) 1.590 27.614 ( -1.412 0.000 -3.124) 3.429 27.858 ( 0.248 0.000 4.529) 4.536 28.107 ( -2.434 0.000 -1.729) 2.986 28.156 ( -3.088 0.000 -3.989) 5.045 28.207 ( 1.290 0.000 -1.770) 2.190 28.298 ( 0.851 0.000 2.411) 2.557 28.325 ( -7.750 0.000 20.774) 22.172 28.555 ( -1.798 0.000 3.635) 4.055 28.577 ( -3.485 0.000 -1.294) 3.717 28.770 ( -1.983 0.000 -2.346) 3.072 28.947 ( 3.922 0.000 -0.396) 3.942 28.963 ( -4.343 0.000 -2.591) 5.057 29.278 ( -10.868 0.000 -1.243) 10.939 29.480 ( -5.179 0.000 1.279) 5.335 29.543 ( 4.616 0.000 3.500) 5.793 29.722 ( 0.180 0.000 -2.567) 2.574 29.890 ( -1.680 0.000 2.661) 3.147 30.070 ( -4.044 0.000 2.935) 4.997 30.427 ( 7.538 0.000 -0.858) 7.587 30.693 ( -3.313 0.000 -5.756) 6.641 30.836 ( 11.053 0.000 2.859) 11.416 30.921 ( -5.981 0.000 -0.967) 6.058 31.645 ( 4.780 0.000 -7.278) 8.707 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 22.562 0.000 4.324) 22.973 1.157 ( 31.382 0.000 -3.719) 31.601 2.203 ( -7.036 0.000 1.960) 7.304 2.233 ( 0.186 0.000 -0.939) 0.958 2.281 ( -11.795 0.000 -6.515) 13.475 2.286 ( 11.280 0.000 11.890) 16.389 2.328 ( 15.938 0.000 -3.551) 16.329 2.381 ( -3.397 0.000 -5.297) 6.293 2.394 ( 5.835 0.000 6.908) 9.043 2.529 ( 0.038 0.000 -8.485) 8.485 2.635 ( 13.267 0.000 8.447) 15.728 2.721 ( -9.709 0.000 2.319) 9.983 2.742 ( 3.465 0.000 -2.502) 4.274 2.793 ( -3.769 0.000 1.563) 4.081 2.868 ( 5.826 0.000 0.374) 5.838 2.869 ( 1.399 0.000 -2.013) 2.452 2.935 ( -1.988 0.000 -1.283) 2.366 3.064 ( -11.192 0.000 -0.326) 11.197 3.078 ( -0.073 0.000 -8.217) 8.218 3.211 ( 2.793 0.000 4.046) 4.916 3.280 ( 1.707 0.000 6.745) 6.958 3.386 ( 3.721 0.000 -3.213) 4.916 3.403 ( 1.900 0.000 13.082) 13.219 3.624 ( -4.118 0.000 0.654) 4.170 3.802 ( -3.214 0.000 -3.454) 4.718 3.806 ( 1.939 0.000 -4.425) 4.831 3.868 ( -2.830 0.000 2.812) 3.990 3.985 ( 2.859 0.000 5.232) 5.962 4.023 ( -3.010 0.000 -5.742) 6.483 4.104 ( 9.518 0.000 8.316) 12.639 4.124 ( 6.047 0.000 1.937) 6.350 4.184 ( 2.363 0.000 3.510) 4.231 4.303 ( -0.268 0.000 0.411) 0.491 4.395 ( -3.243 0.000 -3.132) 4.509 4.521 ( 4.988 0.000 -0.548) 5.018 4.530 ( -2.378 0.000 -4.599) 5.178 4.573 ( -0.053 0.000 -4.168) 4.168 4.588 ( -3.025 0.000 4.653) 5.550 4.705 ( -7.197 0.000 2.441) 7.599 4.734 ( -8.415 0.000 5.995) 10.332 4.873 ( 0.588 0.000 -1.717) 1.814 4.907 ( 0.907 0.000 4.380) 4.473 5.040 ( -2.165 0.000 -2.484) 3.295 5.121 ( -3.619 0.000 5.820) 6.853 5.151 ( -0.165 0.000 -8.121) 8.122 5.188 ( -0.021 0.000 -11.777) 11.777 5.239 ( 0.938 0.000 -2.087) 2.288 5.367 ( -2.463 0.000 1.110) 2.701 5.389 ( -1.212 0.000 -5.719) 5.846 5.533 ( -0.041 0.000 1.702) 1.703 5.557 ( -2.706 0.000 -1.999) 3.364 5.646 ( 1.682 0.000 0.462) 1.745 5.786 ( -6.601 0.000 -1.231) 6.715 5.818 ( -7.140 0.000 4.528) 8.455 5.933 ( 0.754 0.000 -5.498) 5.549 5.959 ( 2.047 0.000 -2.888) 3.540 6.092 ( -0.657 0.000 -1.849) 1.963 6.184 ( -0.862 0.000 4.506) 4.588 6.197 ( 0.176 0.000 -1.938) 1.946 6.239 ( -2.154 0.000 -4.320) 4.827 6.312 ( 1.601 0.000 7.782) 7.945 6.376 ( 2.655 0.000 -1.213) 2.919 6.535 ( -2.594 0.000 -1.962) 3.252 6.542 ( -1.116 0.000 4.409) 4.548 6.732 ( -1.392 0.000 -0.374) 1.441 6.826 ( -7.021 0.000 -0.659) 7.052 7.046 ( 1.652 0.000 3.508) 3.878 7.137 ( -1.346 0.000 -3.856) 4.085 7.188 ( 4.296 0.000 -0.746) 4.360 7.306 ( 0.578 0.000 -1.938) 2.022 7.470 ( -0.537 0.000 -2.441) 2.499 7.552 ( -3.285 0.000 6.285) 7.092 7.692 ( 2.618 0.000 4.506) 5.212 7.706 ( 1.940 0.000 2.921) 3.507 7.893 ( -0.380 0.000 3.303) 3.325 7.913 ( 1.154 0.000 -6.441) 6.543 8.188 ( -8.308 0.000 10.108) 13.084 8.287 ( -8.705 0.000 -1.481) 8.830 8.394 ( -3.829 0.000 -0.198) 3.834 8.450 ( -1.852 0.000 2.256) 2.918 8.497 ( -3.958 0.000 -5.623) 6.876 8.659 ( -0.956 0.000 0.695) 1.182 8.854 ( 1.527 0.000 -3.625) 3.934 8.902 ( -1.632 0.000 -0.466) 1.698 8.959 ( -3.268 0.000 2.053) 3.859 8.968 ( 0.610 0.000 -5.469) 5.502 9.054 ( -6.471 0.000 -0.400) 6.483 9.056 ( -0.269 0.000 1.033) 1.067 9.266 ( 1.934 0.000 0.140) 1.939 9.294 ( -0.108 0.000 -2.055) 2.058 9.566 ( 0.617 0.000 0.716) 0.945 9.572 ( -0.803 0.000 4.523) 4.594 9.611 ( 5.813 0.000 -6.893) 9.016 9.861 ( 7.111 0.000 -5.309) 8.874 9.940 ( 1.575 0.000 1.183) 1.970 10.065 ( -3.089 0.000 0.913) 3.221 10.161 ( 1.262 0.000 1.742) 2.151 10.230 ( -1.386 0.000 -4.645) 4.847 10.275 ( 1.582 0.000 -4.607) 4.871 10.386 ( 1.961 0.000 -1.252) 2.326 10.653 ( -3.584 0.000 5.557) 6.612 10.813 ( 1.359 0.000 0.271) 1.386 10.893 ( 0.482 0.000 1.097) 1.198 11.008 ( 5.444 0.000 2.865) 6.152 11.075 ( -8.174 0.000 -4.875) 9.517 11.152 ( -4.254 0.000 -7.389) 8.526 11.207 ( 3.735 0.000 7.315) 8.213 11.236 ( -1.885 0.000 -7.498) 7.731 11.950 ( 5.197 0.000 1.263) 5.348 12.044 ( -3.053 0.000 2.472) 3.929 12.050 ( 3.414 0.000 3.154) 4.648 12.136 ( -4.333 0.000 1.863) 4.716 12.319 ( 2.612 0.000 4.030) 4.803 12.346 ( 1.539 0.000 1.083) 1.882 12.386 ( 3.067 0.000 4.029) 5.063 12.406 ( 2.678 0.000 9.747) 10.108 12.549 ( -1.430 0.000 -1.923) 2.396 12.596 ( -3.389 0.000 5.113) 6.135 12.795 ( 3.060 0.000 1.665) 3.484 12.797 ( -5.417 0.000 -1.198) 5.548 12.877 ( 1.585 0.000 -3.034) 3.423 13.003 ( 0.754 0.000 -2.000) 2.137 13.035 ( -6.369 0.000 2.856) 6.980 13.133 ( 6.205 0.000 -4.471) 7.648 13.222 ( -2.065 0.000 0.415) 2.107 13.301 ( 7.233 0.000 -4.822) 8.693 13.410 ( 2.719 0.000 1.201) 2.973 13.426 ( -9.204 0.000 -0.885) 9.247 13.637 ( 0.320 0.000 0.559) 0.644 13.649 ( 2.865 0.000 1.915) 3.446 13.755 ( -2.346 0.000 3.016) 3.821 13.809 ( 5.078 0.000 1.845) 5.403 14.214 ( -7.587 0.000 -8.213) 11.181 14.222 ( -2.343 0.000 -0.103) 2.345 14.328 ( -3.610 0.000 3.862) 5.286 14.414 ( -2.547 0.000 5.233) 5.821 14.461 ( 0.111 0.000 -0.603) 0.614 14.593 ( 0.027 0.000 -0.714) 0.714 14.815 ( -0.784 0.000 -0.290) 0.836 14.819 ( 8.742 0.000 -7.978) 11.835 15.114 ( 2.225 0.000 0.798) 2.364 15.183 ( -2.105 0.000 -6.502) 6.834 15.377 ( 1.096 0.000 -1.754) 2.069 15.401 ( -0.352 0.000 -3.523) 3.541 15.454 ( -2.890 0.000 4.808) 5.610 15.538 ( -2.322 0.000 -0.985) 2.522 15.724 ( 5.653 0.000 -10.916) 12.293 15.889 ( -4.166 0.000 4.451) 6.096 16.067 ( -0.312 0.000 -6.229) 6.237 16.177 ( 3.511 0.000 3.476) 4.941 16.309 ( -6.044 0.000 2.274) 6.458 16.470 ( 0.386 0.000 3.273) 3.295 16.633 ( 5.756 0.000 2.780) 6.392 16.896 ( 5.217 0.000 1.672) 5.478 16.948 ( 5.753 0.000 -3.172) 6.569 16.976 ( 7.539 0.000 -1.856) 7.764 19.246 ( 1.245 0.000 -6.693) 6.808 19.270 ( 0.883 0.000 0.626) 1.082 19.530 ( -1.414 0.000 1.057) 1.765 19.724 ( -1.662 0.000 -2.431) 2.945 20.921 ( 2.767 0.000 1.940) 3.380 21.070 ( 2.970 0.000 -3.133) 4.317 21.175 ( -3.758 0.000 0.456) 3.786 21.288 ( -4.938 0.000 1.903) 5.292 25.004 ( 0.727 0.000 0.472) 0.867 25.047 ( 0.064 0.000 3.809) 3.809 25.439 ( 1.348 0.000 0.741) 1.539 25.496 ( 4.607 0.000 8.583) 9.741 25.927 ( 0.131 0.000 -3.419) 3.421 26.021 ( -0.174 0.000 -5.076) 5.079 26.162 ( 0.155 0.000 2.253) 2.258 26.168 ( -1.004 0.000 2.482) 2.677 26.742 ( 0.041 0.000 0.827) 0.828 27.009 ( 5.976 0.000 8.325) 10.248 27.028 ( -2.852 0.000 4.077) 4.976 27.153 ( -1.158 0.000 -1.865) 2.195 27.208 ( 7.851 0.000 -4.602) 9.100 27.249 ( 2.813 0.000 -1.445) 3.163 27.365 ( 3.506 0.000 1.649) 3.875 27.471 ( -0.724 0.000 0.362) 0.809 27.555 ( -0.796 0.000 -2.986) 3.090 27.573 ( -0.098 0.000 -0.941) 0.946 27.914 ( 1.227 0.000 5.519) 5.654 28.036 ( -2.846 0.000 -7.957) 8.450 28.045 ( -2.370 0.000 -3.275) 4.043 28.237 ( 2.586 0.000 -0.133) 2.589 28.303 ( -1.466 0.000 -0.491) 1.546 28.389 ( -1.750 0.000 7.578) 7.778 28.503 ( -2.810 0.000 -1.159) 3.040 28.567 ( -2.147 0.000 4.896) 5.346 28.725 ( -2.698 0.000 1.388) 3.034 28.840 ( -5.313 0.000 -4.971) 7.276 28.973 ( -1.031 0.000 -0.936) 1.393 29.002 ( -16.399 0.000 -4.395) 16.978 29.388 ( -5.611 0.000 1.054) 5.709 29.646 ( 4.925 0.000 -2.237) 5.410 29.765 ( 2.866 0.000 7.885) 8.390 29.887 ( -1.821 0.000 2.940) 3.458 30.046 ( -1.290 0.000 1.497) 1.976 30.495 ( 1.190 0.000 -7.600) 7.693 30.537 ( -5.200 0.000 -7.821) 9.392 30.849 ( -0.467 0.000 3.082) 3.117 31.085 ( 12.376 0.000 4.392) 13.132 31.652 ( 1.699 0.000 -2.760) 3.242 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 17.259 0.000 0.093) 17.259 1.564 ( 19.019 0.000 -4.328) 19.505 1.852 ( -15.883 0.000 -20.636) 26.040 2.012 ( -14.908 0.000 -4.610) 15.604 2.016 ( -11.237 0.000 -5.734) 12.615 2.159 ( -5.376 0.000 -15.439) 16.349 2.168 ( -1.112 0.000 -4.328) 4.469 2.422 ( 2.660 0.000 0.471) 2.701 2.510 ( -5.865 0.000 0.706) 5.908 2.669 ( 1.399 0.000 0.809) 1.616 2.686 ( 7.911 0.000 -11.872) 14.266 2.741 ( -5.558 0.000 6.637) 8.657 2.748 ( -1.545 0.000 2.513) 2.950 2.817 ( -6.318 0.000 2.261) 6.710 2.861 ( -3.807 0.000 0.556) 3.848 2.894 ( -1.321 0.000 -6.265) 6.403 2.960 ( 0.640 0.000 5.529) 5.566 3.054 ( 4.974 0.000 -1.240) 5.126 3.126 ( 12.261 0.000 10.119) 15.898 3.308 ( 5.203 0.000 1.373) 5.381 3.409 ( 10.190 0.000 5.526) 11.592 3.488 ( 2.339 0.000 3.515) 4.222 3.551 ( -1.940 0.000 -3.612) 4.100 3.560 ( 4.065 0.000 5.176) 6.582 3.749 ( -2.199 0.000 2.762) 3.531 3.803 ( 1.173 0.000 1.984) 2.305 3.906 ( 7.647 0.000 -0.794) 7.688 3.994 ( -0.129 0.000 1.739) 1.744 4.059 ( -1.002 0.000 6.128) 6.210 4.147 ( -0.409 0.000 -2.778) 2.808 4.253 ( -8.150 0.000 -5.697) 9.943 4.270 ( 3.318 0.000 2.166) 3.962 4.319 ( 4.557 0.000 -6.390) 7.848 4.353 ( 3.647 0.000 5.803) 6.854 4.429 ( -1.231 0.000 1.244) 1.750 4.503 ( -3.975 0.000 0.488) 4.005 4.589 ( -8.856 0.000 4.307) 9.848 4.625 ( 3.344 0.000 1.329) 3.598 4.642 ( -0.329 0.000 0.500) 0.599 4.703 ( 2.368 0.000 5.921) 6.377 4.853 ( 1.270 0.000 0.552) 1.385 4.978 ( -0.552 0.000 -2.608) 2.666 5.026 ( 3.903 0.000 5.138) 6.452 5.040 ( -3.520 0.000 -4.394) 5.630 5.064 ( -4.451 0.000 -1.990) 4.876 5.145 ( -1.593 0.000 0.330) 1.627 5.259 ( 3.297 0.000 0.319) 3.313 5.316 ( -0.957 0.000 -4.839) 4.932 5.407 ( 3.036 0.000 0.744) 3.126 5.466 ( -5.271 0.000 -1.210) 5.408 5.555 ( -0.278 0.000 3.205) 3.217 5.641 ( -6.853 0.000 -2.961) 7.466 5.642 ( -0.854 0.000 -2.748) 2.878 5.790 ( -2.034 0.000 5.459) 5.826 5.888 ( 1.889 0.000 -6.164) 6.447 5.899 ( -1.896 0.000 -3.471) 3.955 6.125 ( 2.891 0.000 -0.769) 2.992 6.137 ( -4.582 0.000 3.178) 5.576 6.238 ( 1.825 0.000 4.799) 5.134 6.252 ( 4.169 0.000 -2.582) 4.904 6.380 ( -0.374 0.000 -1.833) 1.870 6.411 ( 1.780 0.000 1.694) 2.457 6.425 ( -5.140 0.000 -2.423) 5.682 6.575 ( -0.373 0.000 5.079) 5.093 6.711 ( -0.926 0.000 0.744) 1.188 6.715 ( -3.920 0.000 -2.720) 4.771 7.067 ( -1.714 0.000 -3.536) 3.929 7.081 ( -0.888 0.000 0.641) 1.095 7.215 ( 0.105 0.000 -0.434) 0.447 7.327 ( 2.784 0.000 0.880) 2.920 7.427 ( -0.737 0.000 -3.322) 3.403 7.565 ( -3.163 0.000 6.495) 7.225 7.766 ( 1.656 0.000 2.222) 2.771 7.778 ( 2.760 0.000 2.715) 3.871 7.884 ( 2.636 0.000 -6.171) 6.710 7.907 ( -1.879 0.000 3.439) 3.919 8.130 ( -6.856 0.000 4.404) 8.149 8.150 ( -3.782 0.000 -2.420) 4.491 8.318 ( -0.005 0.000 -3.941) 3.941 8.409 ( -2.927 0.000 -1.517) 3.296 8.480 ( 0.639 0.000 6.188) 6.221 8.596 ( -6.582 0.000 -0.432) 6.596 8.790 ( -4.562 0.000 -6.826) 8.210 8.825 ( -0.233 0.000 -2.865) 2.875 8.927 ( -1.631 0.000 0.292) 1.657 8.942 ( -0.866 0.000 -1.462) 1.699 9.030 ( 1.602 0.000 2.453) 2.930 9.081 ( 3.032 0.000 -1.915) 3.586 9.276 ( -0.633 0.000 -0.412) 0.755 9.318 ( 1.172 0.000 3.921) 4.092 9.525 ( -1.824 0.000 -3.051) 3.554 9.605 ( -0.041 0.000 2.587) 2.587 9.684 ( 4.218 0.000 0.996) 4.334 9.891 ( 3.586 0.000 -4.605) 5.837 9.989 ( 2.451 0.000 0.242) 2.463 10.019 ( -3.006 0.000 0.934) 3.147 10.068 ( -5.386 0.000 -4.254) 6.863 10.245 ( -0.006 0.000 -3.799) 3.799 10.291 ( 4.256 0.000 3.030) 5.224 10.392 ( 1.090 0.000 -2.312) 2.556 10.658 ( -1.228 0.000 2.677) 2.945 10.854 ( 2.304 0.000 0.951) 2.493 10.903 ( -5.849 0.000 -4.299) 7.259 10.911 ( 0.556 0.000 0.365) 0.665 11.042 ( -1.167 0.000 -3.382) 3.578 11.133 ( -2.302 0.000 -6.086) 6.506 11.142 ( 6.665 0.000 1.835) 6.913 11.311 ( 0.356 0.000 4.748) 4.762 11.977 ( -0.722 0.000 -0.157) 0.739 12.069 ( -2.083 0.000 0.256) 2.099 12.072 ( 2.704 0.000 0.980) 2.876 12.168 ( 3.467 0.000 4.525) 5.700 12.378 ( 0.591 0.000 0.784) 0.982 12.423 ( 5.169 0.000 1.876) 5.498 12.493 ( 0.950 0.000 1.848) 2.078 12.505 ( 0.210 0.000 2.718) 2.726 12.542 ( 0.041 0.000 10.535) 10.535 12.600 ( -1.273 0.000 4.180) 4.370 12.700 ( -4.981 0.000 -0.322) 4.991 12.849 ( 0.434 0.000 1.490) 1.552 12.885 ( 3.121 0.000 -3.672) 4.819 12.986 ( -1.043 0.000 1.380) 1.730 13.008 ( 2.445 0.000 -2.958) 3.837 13.156 ( -4.939 0.000 -5.433) 7.343 13.167 ( -4.572 0.000 1.393) 4.779 13.198 ( 0.459 0.000 -1.381) 1.455 13.458 ( 5.652 0.000 -4.232) 7.061 13.491 ( 3.477 0.000 4.341) 5.562 13.610 ( -0.740 0.000 1.659) 1.816 13.684 ( 0.966 0.000 -1.527) 1.807 13.806 ( 3.408 0.000 1.068) 3.572 13.868 ( 0.659 0.000 -4.387) 4.436 13.963 ( -7.305 0.000 -6.472) 9.759 14.060 ( -8.625 0.000 -5.294) 10.120 14.336 ( -4.760 0.000 9.734) 10.835 14.412 ( -2.357 0.000 3.024) 3.834 14.532 ( 4.068 0.000 3.420) 5.315 14.651 ( 2.028 0.000 4.671) 5.093 14.769 ( -1.149 0.000 -5.963) 6.073 14.864 ( 4.699 0.000 -6.674) 8.162 15.091 ( -1.114 0.000 -4.369) 4.508 15.195 ( 4.365 0.000 2.163) 4.872 15.396 ( 1.831 0.000 0.151) 1.837 15.401 ( 1.209 0.000 0.822) 1.462 15.442 ( -3.211 0.000 3.730) 4.922 15.492 ( -1.613 0.000 -1.633) 2.296 15.715 ( 2.203 0.000 -4.221) 4.761 15.865 ( -2.456 0.000 2.390) 3.427 16.014 ( 0.288 0.000 -4.148) 4.158 16.227 ( -4.489 0.000 0.063) 4.489 16.298 ( 4.371 0.000 5.591) 7.097 16.480 ( -1.650 0.000 0.913) 1.886 16.749 ( 4.523 0.000 1.796) 4.866 16.963 ( 1.011 0.000 -4.109) 4.232 16.986 ( 2.817 0.000 2.149) 3.543 17.062 ( 4.645 0.000 -2.280) 5.174 19.218 ( 0.811 0.000 -2.567) 2.692 19.313 ( 1.916 0.000 2.096) 2.840 19.510 ( -1.760 0.000 0.790) 1.929 19.666 ( -1.757 0.000 -2.660) 3.188 20.981 ( 1.660 0.000 1.887) 2.514 21.079 ( 2.291 0.000 -3.737) 4.383 21.113 ( -3.817 0.000 1.069) 3.964 21.225 ( -2.651 0.000 -0.750) 2.755 25.022 ( 0.495 0.000 0.561) 0.748 25.080 ( 0.418 0.000 1.728) 1.778 25.463 ( 0.656 0.000 0.546) 0.853 25.644 ( 2.873 0.000 6.813) 7.394 25.906 ( 0.289 0.000 -1.771) 1.794 25.975 ( -0.276 0.000 -3.046) 3.058 26.172 ( -0.520 0.000 1.138) 1.252 26.176 ( -0.279 0.000 1.168) 1.200 26.716 ( -0.974 0.000 -2.039) 2.260 27.030 ( -2.743 0.000 5.785) 6.403 27.107 ( 0.115 0.000 -4.342) 4.343 27.238 ( 5.328 0.000 11.013) 12.234 27.294 ( 3.642 0.000 -0.958) 3.765 27.301 ( 7.399 0.000 -3.246) 8.080 27.413 ( -2.562 0.000 2.551) 3.616 27.510 ( 4.317 0.000 3.086) 5.307 27.528 ( 0.065 0.000 -1.368) 1.369 27.552 ( 1.036 0.000 -1.732) 2.018 27.897 ( -2.768 0.000 -8.942) 9.360 27.984 ( -1.637 0.000 -2.027) 2.605 28.017 ( 3.161 0.000 6.275) 7.026 28.224 ( -2.799 0.000 -4.539) 5.333 28.298 ( 2.195 0.000 1.046) 2.432 28.416 ( -0.588 0.000 3.290) 3.342 28.474 ( 0.006 0.000 -0.942) 0.942 28.558 ( -3.136 0.000 1.235) 3.371 28.659 ( -10.919 0.000 -4.635) 11.862 28.707 ( -1.778 0.000 2.703) 3.236 28.728 ( -6.641 0.000 -3.962) 7.733 28.888 ( -4.563 0.000 -4.196) 6.199 29.339 ( -2.012 0.000 1.966) 2.813 29.698 ( 4.383 0.000 -1.929) 4.788 29.888 ( -0.870 0.000 1.760) 1.963 29.913 ( 1.671 0.000 9.979) 10.118 30.046 ( -0.421 0.000 0.969) 1.056 30.324 ( -6.602 0.000 -4.956) 8.255 30.415 ( -1.296 0.000 -9.924) 10.008 30.938 ( 3.967 0.000 3.506) 5.294 31.311 ( 8.361 0.000 3.816) 9.191 31.642 ( -0.366 0.000 -1.676) 1.715 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 0.000 -0.000) 0.001 1.544 ( -0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.819 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 -0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 -0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 -0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.397 ( -0.000 0.000 -0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.652 ( -0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.972 ( -0.000 0.000 0.000) 0.000 4.042 ( -0.000 0.000 -0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 -0.000) 0.000 4.093 ( -0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.340 ( -0.000 0.000 -0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.525 ( -0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 -0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 -0.000) 0.000 4.921 ( -0.000 0.000 -0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 -0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.106 ( -0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 -0.000) 0.000 5.282 ( -0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.400 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 -0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 -0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 -0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.285 ( -0.000 0.000 0.000) 0.000 6.312 ( -0.000 0.000 -0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.627 ( -0.000 0.000 -0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 -0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 -0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 -0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 -0.000) 0.000 8.347 ( -0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.673 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 -0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.068 ( 0.000 0.000 0.000) 0.000 9.097 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 -0.000) 0.000 9.355 ( 0.000 0.000 -0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 9.980 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 10.218 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.384 ( 0.000 0.000 0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 10.821 ( 0.000 0.000 0.000) 0.000 10.884 ( -0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 -0.000) 0.000 11.044 ( -0.000 0.000 -0.000) 0.000 11.053 ( 0.000 0.000 0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.320 ( 0.000 0.000 0.000) 0.000 11.969 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.244 ( 0.000 0.000 0.000) 0.000 12.369 ( 0.000 0.000 -0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 -0.000) 0.000 12.551 ( 0.000 0.000 -0.000) 0.000 12.599 ( 0.000 0.000 0.000) 0.000 12.626 ( -0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 -0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 12.995 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.066 ( 0.000 0.000 -0.000) 0.000 13.126 ( 0.000 0.000 0.000) 0.000 13.207 ( 0.000 0.000 0.000) 0.000 13.465 ( 0.000 0.000 -0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.622 ( -0.000 0.000 -0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.772 ( 0.000 0.000 0.000) 0.000 13.878 ( 0.000 0.000 0.000) 0.000 13.908 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.693 ( 0.000 0.000 -0.000) 0.000 14.699 ( 0.000 0.000 -0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 15.062 ( 0.000 0.000 0.000) 0.000 15.251 ( 0.000 0.000 0.000) 0.000 15.413 ( 0.000 0.000 0.000) 0.000 15.434 ( -0.000 0.000 -0.000) 0.000 15.438 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.714 ( 0.000 0.000 0.000) 0.000 15.856 ( 0.000 0.000 0.000) 0.000 15.995 ( 0.000 0.000 0.000) 0.000 16.182 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 16.448 ( 0.000 0.000 -0.000) 0.000 16.803 ( 0.000 0.000 -0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 17.024 ( 0.000 0.000 0.000) 0.000 17.089 ( 0.000 0.000 0.000) 0.000 19.214 ( 0.000 0.000 0.000) 0.000 19.347 ( 0.000 0.000 0.000) 0.000 19.497 ( 0.000 0.000 0.000) 0.000 19.632 ( 0.000 0.000 0.000) 0.000 21.006 ( 0.000 0.000 0.000) 0.000 21.078 ( 0.000 0.000 -0.000) 0.000 21.084 ( -0.000 0.000 0.000) 0.000 21.196 ( 0.000 0.000 0.000) 0.000 25.029 ( 0.000 0.000 0.000) 0.000 25.093 ( 0.000 0.000 0.000) 0.000 25.472 ( 0.000 0.000 0.000) 0.000 25.707 ( 0.000 0.000 0.000) 0.000 25.900 ( 0.000 0.000 0.000) 0.000 25.957 ( 0.000 0.000 0.000) 0.000 26.174 ( 0.000 0.000 -0.000) 0.000 26.179 ( 0.000 0.000 0.000) 0.000 26.694 ( 0.000 0.000 0.000) 0.000 27.039 ( -0.000 0.000 0.000) 0.000 27.082 ( 0.000 0.000 -0.000) 0.000 27.315 ( 0.000 0.000 0.000) 0.000 27.337 ( 0.000 0.000 0.000) 0.000 27.379 ( 0.000 0.000 0.000) 0.000 27.383 ( 0.000 0.000 0.000) 0.000 27.502 ( 0.000 0.000 -0.000) 0.000 27.592 ( 0.000 0.000 -0.000) 0.000 27.601 ( 0.000 0.000 0.000) 0.000 27.804 ( 0.000 0.000 0.000) 0.000 27.959 ( 0.000 0.000 0.000) 0.000 28.096 ( 0.000 0.000 -0.000) 0.000 28.146 ( 0.000 0.000 0.000) 0.000 28.338 ( 0.000 0.000 -0.000) 0.000 28.446 ( 0.000 0.000 -0.000) 0.000 28.458 ( 0.000 0.000 0.000) 0.000 28.484 ( -0.000 0.000 0.000) 0.000 28.546 ( 0.000 0.000 0.000) 0.000 28.656 ( 0.000 0.000 0.000) 0.000 28.711 ( 0.000 0.000 0.000) 0.000 28.807 ( 0.000 0.000 0.000) 0.000 29.336 ( 0.000 0.000 0.000) 0.000 29.737 ( 0.000 0.000 0.000) 0.000 29.890 ( 0.000 0.000 0.000) 0.000 29.974 ( 0.000 0.000 0.000) 0.000 30.048 ( 0.000 0.000 0.000) 0.000 30.253 ( 0.000 0.000 0.000) 0.000 30.332 ( 0.000 0.000 -0.000) 0.000 30.996 ( 0.000 0.000 0.000) 0.000 31.413 ( 0.000 0.000 0.000) 0.000 31.621 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 25.701 0.000) 25.701 0.652 ( 0.000 35.298 0.000) 35.298 0.993 ( 0.000 51.295 0.000) 51.295 1.635 ( 0.000 -13.706 0.000) 13.706 2.161 ( 0.000 -15.427 0.000) 15.427 2.197 ( 0.000 -9.533 0.000) 9.533 2.223 ( 0.000 0.453 0.000) 0.453 2.328 ( 0.000 8.567 0.000) 8.567 2.370 ( 0.000 -1.925 0.000) 1.925 2.540 ( 0.000 -2.708 0.000) 2.708 2.594 ( 0.000 -6.073 0.000) 6.073 2.755 ( 0.000 0.401 0.000) 0.401 2.783 ( 0.000 0.421 0.000) 0.421 2.790 ( 0.000 0.986 0.000) 0.986 2.860 ( 0.000 8.117 0.000) 8.117 2.937 ( 0.000 0.383 0.000) 0.383 2.999 ( 0.000 -2.383 0.000) 2.383 3.015 ( 0.000 2.838 0.000) 2.838 3.122 ( 0.000 0.389 0.000) 0.389 3.258 ( 0.000 3.346 0.000) 3.346 3.359 ( 0.000 -2.744 0.000) 2.744 3.405 ( 0.000 0.106 0.000) 0.106 3.433 ( 0.000 9.810 0.000) 9.810 3.571 ( 0.000 -0.614 0.000) 0.614 3.686 ( 0.000 -4.629 0.000) 4.629 3.791 ( 0.000 -3.101 0.000) 3.101 3.870 ( 0.000 -5.696 0.000) 5.696 3.941 ( 0.000 5.571 0.000) 5.571 4.027 ( 0.000 2.718 0.000) 2.718 4.086 ( 0.000 0.471 0.000) 0.471 4.213 ( 0.000 4.469 0.000) 4.469 4.306 ( 0.000 -1.577 0.000) 1.577 4.331 ( 0.000 1.333 0.000) 1.333 4.399 ( 0.000 6.981 0.000) 6.981 4.479 ( 0.000 -6.499 0.000) 6.499 4.582 ( 0.000 -4.839 0.000) 4.839 4.661 ( 0.000 -6.459 0.000) 6.459 4.667 ( 0.000 0.807 0.000) 0.807 4.745 ( 0.000 -1.198 0.000) 1.198 4.809 ( 0.000 6.235 0.000) 6.235 4.898 ( 0.000 -2.979 0.000) 2.979 4.928 ( 0.000 8.604 0.000) 8.604 5.046 ( 0.000 -0.913 0.000) 0.913 5.102 ( 0.000 -5.262 0.000) 5.262 5.285 ( 0.000 -0.326 0.000) 0.326 5.297 ( 0.000 -2.150 0.000) 2.150 5.420 ( 0.000 2.863 0.000) 2.863 5.436 ( 0.000 2.160 0.000) 2.160 5.468 ( 0.000 2.364 0.000) 2.364 5.521 ( 0.000 0.680 0.000) 0.680 5.582 ( 0.000 4.978 0.000) 4.978 5.743 ( 0.000 -4.061 0.000) 4.061 5.804 ( 0.000 -6.732 0.000) 6.732 5.814 ( 0.000 -0.806 0.000) 0.806 5.980 ( 0.000 -5.238 0.000) 5.238 5.992 ( 0.000 1.253 0.000) 1.253 6.092 ( 0.000 -6.126 0.000) 6.126 6.106 ( 0.000 1.277 0.000) 1.277 6.173 ( 0.000 -1.748 0.000) 1.748 6.213 ( 0.000 0.291 0.000) 0.291 6.360 ( 0.000 5.692 0.000) 5.692 6.500 ( 0.000 -2.974 0.000) 2.974 6.520 ( 0.000 -0.634 0.000) 0.634 6.680 ( 0.000 -7.168 0.000) 7.168 6.730 ( 0.000 0.450 0.000) 0.450 6.785 ( 0.000 -2.102 0.000) 2.102 6.962 ( 0.000 0.678 0.000) 0.678 7.157 ( 0.000 -2.251 0.000) 2.251 7.284 ( 0.000 5.285 0.000) 5.285 7.302 ( 0.000 3.422 0.000) 3.422 7.486 ( 0.000 1.865 0.000) 1.865 7.489 ( 0.000 2.518 0.000) 2.518 7.679 ( 0.000 -0.164 0.000) 0.164 7.780 ( 0.000 -2.638 0.000) 2.638 7.795 ( 0.000 1.014 0.000) 1.014 7.863 ( 0.000 0.338 0.000) 0.338 8.039 ( 0.000 4.798 0.000) 4.798 8.377 ( 0.000 -3.772 0.000) 3.772 8.522 ( 0.000 1.452 0.000) 1.452 8.615 ( 0.000 8.992 0.000) 8.992 8.676 ( 0.000 -1.062 0.000) 1.062 8.781 ( 0.000 0.199 0.000) 0.199 8.810 ( 0.000 0.707 0.000) 0.707 8.904 ( 0.000 6.419 0.000) 6.419 8.979 ( 0.000 -5.144 0.000) 5.144 9.007 ( 0.000 -2.531 0.000) 2.531 9.092 ( 0.000 -3.358 0.000) 3.358 9.237 ( 0.000 0.912 0.000) 0.912 9.253 ( 0.000 -5.892 0.000) 5.892 9.297 ( 0.000 3.909 0.000) 3.909 9.395 ( 0.000 -0.305 0.000) 0.305 9.410 ( 0.000 1.818 0.000) 1.818 9.592 ( 0.000 0.803 0.000) 0.803 9.717 ( 0.000 8.493 0.000) 8.493 9.884 ( 0.000 -9.175 0.000) 9.175 9.992 ( 0.000 -4.210 0.000) 4.210 10.187 ( 0.000 -0.669 0.000) 0.669 10.222 ( 0.000 -2.768 0.000) 2.768 10.251 ( 0.000 -0.781 0.000) 0.781 10.374 ( 0.000 0.636 0.000) 0.636 10.518 ( 0.000 2.255 0.000) 2.255 10.772 ( 0.000 -4.409 0.000) 4.409 10.824 ( 0.000 -6.780 0.000) 6.780 10.870 ( 0.000 -1.042 0.000) 1.042 11.029 ( 0.000 1.653 0.000) 1.653 11.231 ( 0.000 -5.305 0.000) 5.305 11.380 ( 0.000 -0.592 0.000) 0.592 11.421 ( 0.000 0.253 0.000) 0.253 11.758 ( 0.000 5.174 0.000) 5.174 11.981 ( 0.000 4.624 0.000) 4.624 12.109 ( 0.000 -9.265 0.000) 9.265 12.161 ( 0.000 6.670 0.000) 6.670 12.248 ( 0.000 -0.609 0.000) 0.609 12.309 ( 0.000 4.789 0.000) 4.789 12.378 ( 0.000 1.813 0.000) 1.813 12.417 ( 0.000 1.120 0.000) 1.120 12.546 ( 0.000 1.740 0.000) 1.740 12.707 ( 0.000 5.406 0.000) 5.406 12.789 ( 0.000 -5.508 0.000) 5.508 12.911 ( 0.000 -1.074 0.000) 1.074 12.944 ( 0.000 -10.737 0.000) 10.737 13.020 ( 0.000 0.665 0.000) 0.665 13.075 ( 0.000 2.494 0.000) 2.494 13.076 ( 0.000 -3.846 0.000) 3.846 13.207 ( 0.000 0.077 0.000) 0.077 13.313 ( 0.000 -0.880 0.000) 0.880 13.352 ( 0.000 1.626 0.000) 1.626 13.419 ( 0.000 3.903 0.000) 3.903 13.447 ( 0.000 -4.610 0.000) 4.610 13.701 ( 0.000 -0.582 0.000) 0.582 13.742 ( 0.000 5.461 0.000) 5.461 13.935 ( 0.000 -0.697 0.000) 0.697 14.077 ( 0.000 -6.031 0.000) 6.031 14.258 ( 0.000 -9.566 0.000) 9.566 14.331 ( 0.000 9.410 0.000) 9.410 14.401 ( 0.000 5.920 0.000) 5.920 14.658 ( 0.000 0.792 0.000) 0.792 14.719 ( 0.000 5.198 0.000) 5.198 14.725 ( 0.000 5.527 0.000) 5.527 15.021 ( 0.000 -4.445 0.000) 4.445 15.294 ( 0.000 2.828 0.000) 2.828 15.424 ( 0.000 -0.457 0.000) 0.457 15.470 ( 0.000 6.258 0.000) 6.258 15.507 ( 0.000 -2.156 0.000) 2.156 15.588 ( 0.000 3.902 0.000) 3.902 15.593 ( 0.000 -2.421 0.000) 2.421 15.800 ( 0.000 3.926 0.000) 3.926 15.959 ( 0.000 3.246 0.000) 3.246 16.112 ( 0.000 -6.475 0.000) 6.475 16.159 ( 0.000 1.069 0.000) 1.069 16.299 ( 0.000 -10.983 0.000) 10.983 16.424 ( 0.000 -0.947 0.000) 0.947 16.629 ( 0.000 -0.107 0.000) 0.107 16.704 ( 0.000 -1.304 0.000) 1.304 16.804 ( 0.000 4.988 0.000) 4.988 16.932 ( 0.000 -0.605 0.000) 0.605 19.128 ( 0.000 3.165 0.000) 3.165 19.332 ( 0.000 4.843 0.000) 4.843 19.477 ( 0.000 -5.714 0.000) 5.714 19.828 ( 0.000 -8.873 0.000) 8.873 20.893 ( 0.000 5.828 0.000) 5.828 21.087 ( 0.000 2.369 0.000) 2.369 21.162 ( 0.000 -1.989 0.000) 1.989 21.225 ( 0.000 -1.294 0.000) 1.294 24.974 ( 0.000 -0.054 0.000) 0.054 25.026 ( 0.000 -1.570 0.000) 1.570 25.288 ( 0.000 1.350 0.000) 1.350 25.385 ( 0.000 -1.004 0.000) 1.004 26.078 ( 0.000 0.676 0.000) 0.676 26.121 ( 0.000 -0.884 0.000) 0.884 26.132 ( 0.000 2.010 0.000) 2.010 26.238 ( 0.000 -0.110 0.000) 0.110 26.462 ( 0.000 2.961 0.000) 2.961 26.712 ( 0.000 -3.305 0.000) 3.305 27.018 ( 0.000 1.815 0.000) 1.815 27.123 ( 0.000 -0.175 0.000) 0.175 27.143 ( 0.000 1.280 0.000) 1.280 27.206 ( 0.000 -2.333 0.000) 2.333 27.351 ( 0.000 2.361 0.000) 2.361 27.534 ( 0.000 -0.712 0.000) 0.712 27.536 ( 0.000 3.042 0.000) 3.042 27.786 ( 0.000 -3.548 0.000) 3.548 27.957 ( 0.000 0.249 0.000) 0.249 28.066 ( 0.000 -2.549 0.000) 2.549 28.183 ( 0.000 3.557 0.000) 3.557 28.260 ( 0.000 3.959 0.000) 3.959 28.274 ( 0.000 1.538 0.000) 1.538 28.387 ( 0.000 -1.516 0.000) 1.516 28.534 ( 0.000 -1.254 0.000) 1.254 28.559 ( 0.000 -5.963 0.000) 5.963 28.785 ( 0.000 -0.792 0.000) 0.792 28.965 ( 0.000 -5.388 0.000) 5.388 29.044 ( 0.000 9.415 0.000) 9.415 29.436 ( 0.000 3.882 0.000) 3.882 29.465 ( 0.000 -1.415 0.000) 1.415 29.627 ( 0.000 -3.100 0.000) 3.100 29.769 ( 0.000 1.538 0.000) 1.538 29.865 ( 0.000 -2.145 0.000) 2.145 29.967 ( 0.000 2.601 0.000) 2.601 30.101 ( 0.000 -1.428 0.000) 1.428 30.716 ( 0.000 0.511 0.000) 0.511 30.766 ( 0.000 1.070 0.000) 1.070 30.979 ( 0.000 -0.096 0.000) 0.096 31.215 ( 0.000 -4.012 0.000) 4.012 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 12.239 27.106 7.645) 30.708 0.982 ( 23.006 24.834 6.745) 34.518 1.463 ( 37.891 23.404 27.054) 52.110 1.866 ( 13.573 -10.258 15.235) 22.837 2.161 ( 2.797 -11.811 -3.003) 12.504 2.218 ( -2.046 -9.464 5.362) 11.068 2.269 ( -0.274 -0.573 6.721) 6.751 2.383 ( 2.146 -2.449 -2.666) 4.209 2.447 ( 8.759 4.743 3.672) 10.616 2.532 ( -1.759 -0.459 -0.683) 1.942 2.598 ( 0.398 -3.444 -0.877) 3.576 2.718 ( -1.037 2.739 -6.309) 6.955 2.781 ( -0.708 -4.151 -2.148) 4.727 2.827 ( 1.337 -1.285 -1.547) 2.416 2.881 ( 1.494 3.418 0.561) 3.772 2.896 ( 0.069 1.639 -1.712) 2.371 2.981 ( -2.828 2.089 -1.703) 3.907 3.032 ( 0.404 -4.671 3.121) 5.632 3.156 ( 2.358 2.747 5.782) 6.822 3.230 ( -3.437 3.788 -0.461) 5.136 3.296 ( -4.544 1.420 -2.799) 5.522 3.378 ( 0.028 4.825 1.665) 5.104 3.446 ( 1.287 4.013 -2.738) 5.025 3.650 ( -2.471 3.772 3.365) 5.626 3.720 ( 9.140 -8.910 2.561) 13.019 3.808 ( 1.510 -3.624 1.552) 4.221 3.891 ( -1.006 1.515 1.132) 2.142 3.958 ( 2.672 -1.550 1.959) 3.658 3.984 ( -1.815 5.341 -2.167) 6.042 4.048 ( -2.352 1.513 -1.513) 3.180 4.189 ( -0.968 4.141 -2.535) 4.951 4.231 ( -3.815 4.167 -3.296) 6.540 4.282 ( -3.161 -1.120 1.029) 3.508 4.409 ( 1.328 0.992 -0.012) 1.657 4.480 ( -1.878 -3.783 -0.249) 4.231 4.517 ( -2.184 -2.427 -3.554) 4.826 4.618 ( -1.362 -0.535 -1.704) 2.246 4.664 ( -2.340 -6.015 0.412) 6.467 4.716 ( -2.829 -0.476 -1.120) 3.080 4.788 ( -2.164 5.633 4.630) 7.606 4.908 ( -1.384 3.010 -2.907) 4.407 4.928 ( -0.601 -0.237 3.422) 3.482 5.031 ( -2.632 -4.118 0.761) 4.946 5.100 ( 0.235 -1.345 1.211) 1.825 5.201 ( -1.141 -1.803 -7.428) 7.728 5.324 ( -0.760 4.162 -3.285) 5.356 5.370 ( -0.615 1.370 -6.022) 6.206 5.435 ( -3.570 -0.611 -0.557) 3.664 5.459 ( -1.268 1.074 -1.826) 2.469 5.540 ( 3.436 1.445 -0.245) 3.735 5.577 ( 1.062 1.523 -2.307) 2.962 5.637 ( -4.011 -1.514 -5.595) 7.049 5.791 ( -2.622 -5.167 -0.182) 5.797 5.869 ( 2.890 -1.290 2.283) 3.902 5.904 ( -3.757 -4.162 -1.000) 5.695 5.996 ( -1.879 2.474 1.220) 3.338 6.084 ( -3.024 -4.370 5.355) 7.544 6.116 ( -0.421 -2.784 -2.598) 3.832 6.177 ( 4.977 -2.659 -5.475) 7.862 6.255 ( 0.011 -1.018 4.889) 4.994 6.360 ( 1.315 3.477 -2.156) 4.298 6.391 ( -10.042 0.840 -0.347) 10.083 6.515 ( -0.452 -1.126 1.239) 1.734 6.544 ( -1.189 -0.880 -0.881) 1.722 6.748 ( -0.408 -0.715 -0.043) 0.824 6.900 ( 2.585 -6.144 -0.566) 6.690 6.953 ( -1.311 1.808 3.228) 3.925 7.201 ( 3.988 6.298 -2.173) 7.765 7.245 ( 0.176 1.605 -0.711) 1.765 7.363 ( 0.035 7.301 -0.547) 7.322 7.443 ( -2.570 -3.962 3.281) 5.750 7.517 ( 2.929 1.780 -3.131) 4.642 7.650 ( -0.862 1.196 3.135) 3.465 7.738 ( -1.437 4.177 -0.024) 4.417 7.830 ( 1.110 -2.644 1.892) 3.435 8.021 ( -0.439 6.396 -2.697) 6.955 8.054 ( -3.262 -13.133 19.233) 23.517 8.389 ( 0.618 -2.595 0.351) 2.691 8.451 ( -6.326 2.563 -1.446) 6.977 8.505 ( -7.226 2.812 3.332) 8.440 8.661 ( -0.611 5.702 -0.107) 5.736 8.684 ( -5.701 -0.811 -2.305) 6.203 8.832 ( -2.012 -3.595 -2.393) 4.765 8.913 ( 0.206 -1.022 -0.214) 1.064 8.923 ( 5.106 4.222 -5.897) 8.869 9.022 ( -2.312 -2.175 4.810) 5.763 9.107 ( -5.012 -1.036 2.840) 5.853 9.206 ( -3.603 3.217 -0.326) 4.841 9.285 ( 2.291 3.061 -3.292) 5.046 9.307 ( -0.207 -2.441 -4.119) 4.793 9.428 ( 8.257 -6.338 -1.383) 10.500 9.490 ( 5.281 -1.474 -3.684) 6.606 9.616 ( 1.612 1.121 1.635) 2.556 9.782 ( 6.470 3.536 -1.809) 7.591 9.864 ( -1.033 -8.522 -0.248) 8.588 10.032 ( 0.231 -3.296 3.726) 4.980 10.159 ( -2.577 0.281 2.030) 3.292 10.227 ( 1.621 -3.670 -2.324) 4.637 10.303 ( 5.465 0.441 -3.050) 6.274 10.362 ( -0.966 0.372 -0.021) 1.036 10.572 ( 0.235 -3.433 5.793) 6.738 10.780 ( 0.425 -2.680 -0.528) 2.765 10.817 ( -0.761 -6.893 1.630) 7.124 10.893 ( 2.082 -1.396 1.882) 3.135 11.080 ( 2.827 0.829 3.878) 4.870 11.209 ( -0.406 -2.938 -3.325) 4.456 11.302 ( -4.689 1.060 -3.432) 5.907 11.369 ( -2.711 0.872 -7.211) 7.752 11.825 ( 4.074 2.018 4.493) 6.392 11.970 ( 0.013 1.979 -0.271) 1.997 12.108 ( -1.453 -4.539 0.988) 4.867 12.190 ( -1.162 0.345 4.887) 5.035 12.272 ( 1.250 0.895 2.875) 3.260 12.293 ( -3.433 4.737 1.494) 6.038 12.338 ( -0.538 2.571 2.294) 3.487 12.466 ( -2.825 6.186 2.447) 7.228 12.520 ( 1.711 -0.423 -0.811) 1.940 12.688 ( -1.854 6.169 1.286) 6.569 12.737 ( -2.766 -3.153 -3.827) 5.678 12.853 ( -4.379 -4.165 2.120) 6.405 12.927 ( -1.817 -7.610 -2.089) 8.098 12.992 ( 0.073 5.085 -5.050) 7.167 13.063 ( -0.929 -0.498 1.487) 1.823 13.073 ( 1.377 0.391 -2.399) 2.794 13.221 ( 4.205 1.837 1.428) 4.806 13.276 ( -2.372 3.175 0.101) 3.965 13.331 ( 0.765 -4.770 -3.170) 5.778 13.470 ( 4.150 -4.516 8.583) 10.549 13.550 ( 4.426 -1.283 3.282) 5.657 13.587 ( -10.565 -4.476 -2.050) 11.655 13.772 ( 1.893 5.593 2.944) 6.598 13.882 ( -3.962 4.013 0.749) 5.689 14.157 ( -1.887 -6.159 7.496) 9.883 14.276 ( 4.302 -3.937 -2.676) 6.416 14.358 ( 3.459 7.577 -1.090) 8.400 14.450 ( 2.641 2.876 -0.390) 3.923 14.573 ( -6.339 1.966 -2.583) 7.122 14.665 ( -3.360 3.914 0.954) 5.245 14.738 ( 1.338 3.459 -4.193) 5.598 15.005 ( -1.987 -2.309 0.613) 3.107 15.263 ( -8.730 10.512 -2.922) 13.973 15.293 ( -0.065 6.142 -6.807) 9.169 15.402 ( -2.178 -0.501 -0.128) 2.239 15.472 ( -1.954 8.204 -1.754) 8.614 15.555 ( -1.209 4.608 -2.957) 5.607 15.607 ( -0.294 0.325 -2.303) 2.344 15.702 ( 7.579 0.861 -13.149) 15.202 15.975 ( -1.762 4.480 -0.041) 4.815 16.072 ( -0.280 -4.400 -3.946) 5.917 16.187 ( 0.874 2.050 0.059) 2.229 16.282 ( -2.686 -9.449 1.850) 9.996 16.445 ( 3.609 0.855 -2.245) 4.335 16.547 ( -4.203 3.275 3.238) 6.235 16.783 ( 6.044 0.496 -1.571) 6.265 16.817 ( 4.842 -3.217 -1.531) 6.012 16.870 ( 4.773 1.650 -1.463) 5.257 19.195 ( 3.494 -3.112 -4.413) 6.431 19.342 ( 2.845 3.026 -3.274) 5.289 19.471 ( -1.543 -5.040 1.774) 5.561 19.753 ( -2.162 -4.239 -3.854) 6.124 20.910 ( 1.536 5.339 1.261) 5.697 21.079 ( 2.732 3.389 -2.129) 4.846 21.197 ( -2.163 -2.528 1.446) 3.628 21.291 ( -0.222 -3.918 5.239) 6.546 24.998 ( 0.554 -0.096 2.554) 2.615 25.006 ( -1.345 -0.076 1.772) 2.226 25.341 ( 3.145 -0.001 4.344) 5.363 25.401 ( 1.482 -0.873 0.588) 1.818 26.025 ( -2.106 3.779 -5.548) 7.036 26.086 ( 0.214 0.812 -4.702) 4.777 26.140 ( -0.291 1.729 3.325) 3.760 26.165 ( -1.232 1.218 3.093) 3.545 26.659 ( 4.518 -1.354 5.709) 7.405 26.814 ( 4.768 -8.945 5.312) 11.444 27.011 ( -0.265 1.043 -0.072) 1.079 27.130 ( 3.649 -0.123 -3.519) 5.071 27.160 ( 1.783 -0.102 -1.417) 2.280 27.215 ( -0.687 -2.050 2.689) 3.451 27.347 ( 0.904 2.180 -1.807) 2.972 27.525 ( -0.237 3.608 -0.876) 3.720 27.543 ( 0.911 -1.055 -0.324) 1.431 27.752 ( -2.814 7.060 -7.261) 10.511 27.840 ( -1.192 -1.194 2.676) 3.164 28.076 ( -1.312 -4.936 -1.319) 5.275 28.151 ( -2.136 3.473 -2.238) 4.651 28.240 ( -0.225 2.475 -1.182) 2.752 28.313 ( -0.908 1.824 8.341) 8.586 28.372 ( -1.506 2.347 1.390) 3.116 28.508 ( -1.559 -5.633 -1.777) 6.110 28.556 ( -2.227 -0.624 3.396) 4.109 28.759 ( -3.278 -0.614 0.886) 3.451 28.910 ( -4.294 -4.550 0.257) 6.262 28.991 ( -1.671 4.179 -1.235) 4.667 29.310 ( -9.954 -0.595 -1.327) 10.060 29.472 ( -5.658 3.164 -0.085) 6.483 29.628 ( 6.494 5.898 0.942) 8.823 29.749 ( -0.461 2.583 -0.093) 2.625 29.907 ( -1.847 1.296 2.973) 3.732 30.067 ( -3.015 -0.321 2.950) 4.230 30.272 ( 13.753 -12.677 0.741) 18.719 30.646 ( -4.993 -2.701 -3.464) 6.650 30.818 ( -0.805 -5.952 1.410) 6.170 30.950 ( 4.907 6.645 0.404) 8.270 31.447 ( 12.871 -12.845 -0.422) 18.189 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 16.390 16.390 6.437) 24.056 1.393 ( 23.779 20.716 -3.060) 31.686 2.098 ( -3.730 -9.777 -0.812) 10.496 2.166 ( -1.721 -7.564 0.940) 7.814 2.229 ( -5.122 -0.938 -0.524) 5.234 2.310 ( -1.428 1.089 1.491) 2.334 2.350 ( 4.282 -3.278 5.527) 7.722 2.364 ( 0.785 -1.170 -3.553) 3.822 2.425 ( 21.151 6.518 8.362) 23.660 2.525 ( -0.502 -2.617 -5.502) 6.113 2.619 ( -2.399 -2.379 -4.288) 5.459 2.666 ( 4.898 0.020 0.551) 4.929 2.732 ( 1.260 -3.598 -5.176) 6.429 2.785 ( 0.904 3.100 0.227) 3.237 2.873 ( -0.111 -0.017 1.131) 1.136 2.944 ( -0.693 -1.685 1.461) 2.335 2.990 ( 3.541 3.566 2.712) 5.711 3.034 ( -1.300 -3.524 2.166) 4.336 3.154 ( -4.456 4.877 -2.343) 7.009 3.163 ( -3.546 7.452 -4.832) 9.563 3.297 ( 4.074 1.699 6.858) 8.156 3.432 ( 6.409 3.460 -1.524) 7.441 3.474 ( 3.212 2.589 2.638) 4.897 3.609 ( -4.342 4.957 3.441) 7.434 3.790 ( -1.788 -0.823 -2.015) 2.816 3.863 ( -1.134 3.468 -5.059) 6.237 3.887 ( 0.538 1.089 4.456) 4.619 4.024 ( 4.660 1.633 4.267) 6.526 4.055 ( -3.760 0.810 -2.811) 4.764 4.075 ( 5.747 -0.682 7.174) 9.217 4.105 ( 7.324 -1.618 3.618) 8.327 4.239 ( 2.509 4.479 2.109) 5.550 4.263 ( -0.439 -1.982 1.015) 2.270 4.388 ( -3.551 -0.673 -0.355) 3.632 4.460 ( -2.396 -3.518 -1.434) 4.492 4.488 ( -3.035 -4.158 -1.088) 5.261 4.504 ( 1.437 -4.286 -3.915) 5.981 4.610 ( -3.678 -1.141 1.801) 4.251 4.690 ( -3.072 -1.284 0.822) 3.429 4.773 ( -6.147 2.513 3.453) 7.485 4.860 ( -1.243 -5.007 2.930) 5.933 4.918 ( -3.123 2.183 0.918) 3.919 4.977 ( -2.447 -3.097 -3.391) 5.203 5.107 ( 0.549 -3.523 -2.192) 4.185 5.160 ( 1.283 4.897 0.560) 5.093 5.245 ( -1.919 4.303 -6.524) 8.047 5.302 ( 0.692 3.899 -4.598) 6.068 5.372 ( -1.414 -1.295 -5.523) 5.847 5.389 ( -2.330 2.045 0.510) 3.142 5.537 ( -1.059 0.004 -3.052) 3.231 5.556 ( -1.965 0.519 0.411) 2.073 5.616 ( 2.197 -2.435 -0.135) 3.282 5.713 ( -5.332 -4.903 -0.781) 7.286 5.809 ( -5.168 -2.685 1.516) 6.017 5.942 ( 0.101 -1.767 -2.659) 3.194 5.971 ( 0.286 2.297 -0.351) 2.342 6.042 ( -2.279 -4.522 -3.360) 6.077 6.126 ( 0.047 -3.004 5.511) 6.277 6.175 ( -0.278 -3.433 -2.658) 4.350 6.241 ( -0.169 -0.581 -4.151) 4.194 6.328 ( -0.607 0.950 3.744) 3.910 6.379 ( 1.941 0.746 0.198) 2.088 6.506 ( -3.235 -2.508 -0.577) 4.134 6.529 ( -0.591 -1.372 3.049) 3.395 6.730 ( -1.098 0.338 -1.083) 1.579 6.844 ( -5.064 1.475 0.356) 5.286 7.021 ( 2.267 -1.345 3.408) 4.308 7.201 ( -2.405 4.921 -3.053) 6.271 7.250 ( 1.250 5.628 -0.409) 5.779 7.334 ( -0.487 2.833 -1.854) 3.421 7.466 ( -0.446 -4.941 6.315) 8.031 7.504 ( -0.237 0.926 -3.326) 3.461 7.713 ( 1.467 1.499 5.805) 6.172 7.734 ( -0.569 2.225 1.522) 2.755 7.854 ( -0.562 -3.941 2.219) 4.558 7.964 ( 1.770 4.738 -9.207) 10.505 8.122 ( -6.709 -7.125 14.041) 17.115 8.328 ( -5.350 4.744 -1.484) 7.303 8.371 ( -3.178 -3.156 0.309) 4.490 8.445 ( -3.252 3.295 -0.658) 4.676 8.543 ( -4.037 3.062 -4.115) 6.527 8.672 ( -2.252 0.569 3.142) 3.907 8.777 ( -0.916 -8.561 -2.468) 8.957 8.903 ( 0.164 2.449 -2.418) 3.446 8.961 ( 2.243 4.868 -2.792) 6.043 9.000 ( -2.392 -4.008 2.309) 5.207 9.028 ( -4.579 0.485 -1.098) 4.734 9.135 ( -2.972 6.336 -1.354) 7.128 9.285 ( 1.683 -0.289 -1.646) 2.372 9.308 ( 3.578 2.215 -2.734) 5.018 9.503 ( -0.242 -2.170 -0.469) 2.233 9.529 ( 2.517 -3.457 2.578) 4.994 9.651 ( 1.908 0.322 -0.736) 2.070 9.847 ( 2.083 -6.755 0.368) 7.078 9.873 ( 3.429 -2.594 -3.694) 5.669 10.041 ( -1.660 0.017 1.214) 2.056 10.154 ( -0.243 -0.715 0.242) 0.793 10.233 ( 2.940 -0.862 -2.611) 4.025 10.316 ( 0.434 3.028 -3.497) 4.646 10.376 ( 2.307 -0.048 -0.910) 2.480 10.602 ( -2.502 -3.966 5.064) 6.902 10.787 ( 1.674 -2.525 -0.820) 3.138 10.831 ( -0.674 -6.355 2.020) 6.702 10.953 ( 3.018 -5.140 -1.355) 6.113 11.090 ( -3.925 1.612 -4.200) 5.971 11.196 ( -3.042 4.120 -6.070) 7.942 11.229 ( 2.402 2.548 6.087) 7.022 11.252 ( -0.358 0.778 -2.900) 3.024 11.941 ( 4.244 -0.715 1.556) 4.576 11.977 ( 0.027 -1.845 1.209) 2.206 12.108 ( 0.387 0.304 1.957) 2.018 12.161 ( -4.072 1.509 2.564) 5.043 12.300 ( 0.209 -2.176 4.917) 5.381 12.345 ( 0.961 0.665 5.328) 5.455 12.375 ( 2.078 2.711 1.401) 3.691 12.466 ( -0.046 2.200 5.720) 6.129 12.515 ( -1.871 -1.482 -1.193) 2.668 12.660 ( -4.521 2.010 4.397) 6.619 12.715 ( 2.161 -1.192 -0.763) 2.583 12.802 ( -3.210 -1.060 -0.081) 3.381 12.875 ( -0.856 -7.630 -1.527) 7.828 12.949 ( 0.271 3.727 -2.753) 4.642 13.083 ( -1.218 2.382 0.794) 2.791 13.117 ( 6.616 -1.324 -2.537) 7.208 13.188 ( -4.396 -1.811 0.319) 4.765 13.297 ( 0.926 -1.755 -6.079) 6.395 13.364 ( 0.699 -4.440 2.043) 4.937 13.391 ( -3.184 -3.564 -1.352) 4.967 13.637 ( 6.030 -0.029 0.738) 6.075 13.658 ( 5.859 -0.739 3.687) 6.962 13.806 ( -4.605 5.038 2.653) 7.323 13.851 ( 2.928 5.355 0.694) 6.142 14.158 ( -4.394 -4.298 2.814) 6.760 14.266 ( -5.418 -3.861 0.659) 6.685 14.300 ( -8.024 4.172 -4.965) 10.317 14.451 ( -0.564 1.992 -0.217) 2.081 14.549 ( 1.941 7.539 4.025) 8.764 14.619 ( -1.021 1.470 2.524) 3.094 14.735 ( 3.388 1.302 -4.930) 6.122 14.989 ( 1.370 1.334 -2.207) 2.921 15.126 ( -1.262 7.743 -6.671) 10.298 15.263 ( 1.155 6.382 -3.624) 7.429 15.372 ( -1.134 -0.025 1.393) 1.796 15.418 ( -0.042 4.525 -3.782) 5.897 15.521 ( -2.259 4.312 1.184) 5.010 15.569 ( -2.199 2.707 -0.743) 3.566 15.728 ( 5.117 1.413 -5.580) 7.701 15.919 ( -4.465 2.850 1.490) 5.503 16.036 ( 1.295 -2.558 -5.367) 6.085 16.195 ( -1.455 -2.238 1.867) 3.258 16.271 ( 0.818 -0.158 1.311) 1.553 16.482 ( 0.940 0.819 1.232) 1.753 16.589 ( 2.786 -3.580 3.497) 5.727 16.875 ( 5.280 -3.200 0.936) 6.245 16.923 ( 4.063 -2.120 -2.314) 5.134 16.935 ( 6.795 -3.887 -1.595) 7.989 19.192 ( 1.378 -1.788 -2.483) 3.356 19.346 ( 1.389 4.326 -2.492) 5.182 19.464 ( -1.854 -5.858 2.306) 6.562 19.690 ( -1.977 -4.090 -2.490) 5.180 20.959 ( 2.271 4.031 1.405) 4.835 21.106 ( 2.509 3.511 -2.948) 5.226 21.163 ( -1.891 -1.277 -0.468) 2.329 21.282 ( -3.547 -0.881 1.515) 3.956 25.011 ( 0.603 0.608 0.698) 1.105 25.042 ( 0.356 -0.418 3.489) 3.532 25.427 ( 1.866 -1.030 1.162) 2.428 25.475 ( 4.053 -2.081 5.835) 7.403 25.962 ( -0.357 3.351 -3.409) 4.793 26.038 ( -0.318 1.450 -4.019) 4.284 26.170 ( -0.104 0.848 2.298) 2.452 26.179 ( -0.790 0.925 2.596) 2.867 26.741 ( 0.350 0.017 1.641) 1.678 26.923 ( 1.205 -6.697 6.590) 9.473 27.044 ( 2.676 0.489 5.077) 5.760 27.142 ( -0.962 -1.537 -2.278) 2.912 27.188 ( 5.927 -0.569 -1.946) 6.264 27.257 ( 4.557 -0.098 -1.774) 4.891 27.362 ( 2.327 0.540 -0.272) 2.404 27.513 ( -1.068 0.503 -0.733) 1.389 27.556 ( 1.295 3.444 0.879) 3.783 27.658 ( -2.030 7.430 -3.571) 8.490 27.891 ( 2.041 -2.402 4.255) 5.295 28.007 ( -2.045 -3.013 -5.384) 6.500 28.085 ( -2.021 4.129 -2.699) 5.331 28.261 ( 2.325 2.340 -0.224) 3.306 28.339 ( -1.799 3.639 -1.220) 4.238 28.371 ( -1.046 -2.287 4.499) 5.154 28.462 ( -1.364 -3.942 -0.858) 4.258 28.557 ( -2.030 -0.303 3.359) 3.936 28.688 ( -6.481 -2.961 0.706) 7.160 28.807 ( -3.996 -3.729 -5.477) 7.737 28.961 ( -4.209 0.197 2.482) 4.890 29.095 ( -10.888 5.350 -3.530) 12.634 29.363 ( -6.344 0.440 1.052) 6.446 29.692 ( 3.746 2.887 -5.402) 7.180 29.814 ( 1.765 4.987 9.465) 10.844 29.905 ( -1.447 1.773 2.617) 3.477 30.045 ( -1.474 -0.125 1.098) 1.843 30.393 ( 3.104 -10.473 -6.120) 12.521 30.504 ( -5.626 -1.887 -6.225) 8.600 30.783 ( -0.104 -6.698 2.740) 7.238 31.148 ( 11.423 6.129 3.651) 13.467 31.578 ( 4.679 -7.091 -0.915) 8.545 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 14.178 9.046 1.164) 16.859 1.686 ( 12.963 11.834 -5.441) 18.376 1.864 ( -16.429 1.011 -16.989) 23.655 1.913 ( -10.251 -4.236 -4.440) 11.947 2.043 ( -11.166 0.404 -8.919) 14.297 2.110 ( -5.431 -4.017 -4.286) 8.000 2.200 ( -2.016 1.552 -10.689) 10.988 2.375 ( -0.155 -6.140 1.867) 6.419 2.511 ( -3.866 0.546 -0.833) 3.992 2.601 ( 1.080 -3.243 -6.791) 7.603 2.660 ( 3.365 -4.396 5.005) 7.463 2.747 ( 1.614 -0.645 -7.341) 7.544 2.754 ( -2.160 -3.665 -1.900) 4.659 2.829 ( 3.128 8.187 1.143) 8.838 2.895 ( -5.262 -3.449 7.669) 9.920 2.982 ( 0.439 3.233 4.437) 5.508 3.038 ( 1.283 11.544 -2.632) 11.909 3.072 ( 3.647 -0.816 -1.874) 4.181 3.117 ( 0.785 1.576 3.040) 3.513 3.250 ( 11.603 0.570 7.477) 13.815 3.407 ( 3.876 -0.071 2.009) 4.367 3.529 ( -1.994 0.467 0.615) 2.139 3.544 ( 5.982 3.070 -1.717) 6.939 3.643 ( 5.926 8.207 5.007) 11.294 3.754 ( 2.086 -0.961 2.087) 3.104 3.818 ( -1.730 3.488 1.321) 4.111 3.954 ( 3.940 4.109 2.091) 6.065 4.006 ( 0.003 4.155 -1.091) 4.296 4.102 ( -2.039 0.407 1.830) 2.769 4.145 ( 1.121 0.014 1.107) 1.575 4.209 ( -7.976 -4.902 -0.789) 9.395 4.303 ( -0.364 -3.412 1.342) 3.684 4.318 ( 5.984 -0.358 -1.162) 6.106 4.332 ( 2.688 4.654 -1.058) 5.478 4.408 ( 2.937 3.115 5.144) 6.693 4.502 ( -1.934 -6.714 3.517) 7.822 4.565 ( -2.849 -4.394 2.250) 5.700 4.578 ( 4.066 -2.266 1.988) 5.061 4.635 ( -0.808 0.786 -0.162) 1.138 4.713 ( -3.174 -0.378 2.993) 4.378 4.838 ( -4.354 -7.748 -2.202) 9.157 4.886 ( -1.261 -0.488 1.545) 2.053 4.940 ( -0.378 -2.136 3.459) 4.083 5.083 ( 0.536 -0.566 -3.108) 3.204 5.165 ( -0.073 4.489 -3.970) 5.993 5.187 ( -1.704 6.414 2.443) 7.072 5.298 ( 0.220 1.502 -3.310) 3.642 5.311 ( 1.595 1.582 -1.868) 2.922 5.404 ( 2.056 -0.604 -0.010) 2.143 5.453 ( -4.820 -1.090 -1.035) 5.049 5.552 ( -0.350 -0.701 1.454) 1.651 5.577 ( -3.880 -3.592 -4.605) 7.011 5.658 ( -0.910 -0.460 0.919) 1.372 5.783 ( -1.616 -1.071 5.416) 5.753 5.870 ( -2.179 -2.437 -4.298) 5.400 5.917 ( -0.450 1.794 -5.831) 6.118 6.036 ( -0.186 -5.781 3.129) 6.576 6.114 ( -3.226 -4.572 0.573) 5.624 6.222 ( 1.639 -0.420 4.045) 4.384 6.238 ( 4.481 -1.454 -4.146) 6.276 6.343 ( 0.782 -2.739 -1.653) 3.293 6.384 ( -1.881 -3.106 -1.710) 4.014 6.443 ( -2.587 1.271 1.081) 3.078 6.559 ( -0.199 -1.474 4.370) 4.616 6.685 ( -2.518 0.746 -1.582) 3.066 6.794 ( -0.922 4.690 1.143) 4.915 7.041 ( -2.119 -1.723 -1.807) 3.275 7.119 ( -2.007 2.260 -1.258) 3.274 7.244 ( -1.490 3.257 -0.743) 3.658 7.341 ( 2.158 0.918 0.632) 2.429 7.460 ( -0.334 2.935 -3.247) 4.390 7.535 ( -0.888 -4.269 7.705) 8.853 7.717 ( -0.577 -1.834 -2.275) 2.978 7.789 ( 1.135 0.675 3.789) 4.013 7.868 ( -1.016 -3.176 3.605) 4.910 7.924 ( 2.376 2.887 -5.791) 6.894 8.122 ( -4.492 -0.166 5.851) 7.378 8.240 ( -3.320 7.490 -1.132) 8.270 8.344 ( 0.368 -2.248 -0.778) 2.408 8.387 ( -0.439 1.069 -0.966) 1.506 8.468 ( -2.737 3.996 -0.787) 4.907 8.624 ( -6.761 -0.548 3.857) 7.803 8.702 ( -2.678 -6.888 -6.427) 9.794 8.884 ( -0.591 2.860 -0.297) 2.936 8.926 ( -2.358 1.247 -2.822) 3.883 8.967 ( 0.193 3.164 0.466) 3.204 9.033 ( 2.864 -4.313 -2.224) 5.635 9.104 ( 0.597 6.890 0.731) 6.955 9.298 ( 0.766 0.942 -1.070) 1.619 9.358 ( 3.453 1.744 0.558) 3.908 9.474 ( -2.347 -2.050 -0.513) 3.159 9.578 ( 0.143 -2.600 3.186) 4.115 9.672 ( 1.484 -1.850 -1.843) 3.004 9.852 ( -0.779 -10.653 -1.390) 10.772 9.907 ( 3.664 1.714 -0.647) 4.096 10.017 ( -1.762 1.152 -0.109) 2.108 10.147 ( 0.663 3.436 -0.988) 3.636 10.250 ( -0.643 -0.472 -2.441) 2.568 10.314 ( 2.857 2.808 0.476) 4.034 10.386 ( 0.947 0.222 -2.268) 2.468 10.606 ( -1.686 -4.700 2.840) 5.745 10.796 ( -0.033 -6.324 -4.528) 7.778 10.831 ( -0.863 -3.632 4.375) 5.751 10.930 ( -1.314 -7.712 -4.075) 8.821 11.011 ( 0.041 3.592 -2.986) 4.671 11.103 ( -1.159 2.280 -3.300) 4.175 11.265 ( 2.927 6.186 -0.209) 6.846 11.338 ( 1.193 2.844 5.096) 5.957 11.970 ( -0.606 -0.868 1.184) 1.588 12.012 ( 2.239 -3.513 0.204) 4.171 12.106 ( -1.699 3.739 1.054) 4.240 12.200 ( 2.686 0.666 4.240) 5.063 12.361 ( 1.519 -5.633 1.698) 6.076 12.375 ( -0.309 -3.534 2.241) 4.196 12.450 ( 2.328 1.291 1.669) 3.142 12.481 ( -0.003 -2.224 2.332) 3.222 12.553 ( 0.817 -0.232 6.323) 6.380 12.644 ( -2.551 -0.187 4.275) 4.982 12.679 ( -4.252 -0.580 -0.763) 4.359 12.803 ( 2.556 -0.941 -0.037) 2.724 12.866 ( 0.515 -6.732 -1.273) 6.871 12.939 ( 0.116 2.813 -0.648) 2.889 13.050 ( -0.250 1.347 -2.755) 3.076 13.112 ( -4.980 -4.387 -1.590) 6.825 13.168 ( -4.314 -0.891 -0.481) 4.431 13.198 ( 3.239 1.518 -1.442) 3.857 13.363 ( 2.740 -6.256 -2.120) 7.151 13.477 ( 4.103 -3.085 1.580) 5.371 13.694 ( 2.439 4.495 -1.195) 5.252 13.759 ( -0.564 7.915 3.243) 8.572 13.813 ( 5.076 0.599 0.533) 5.139 13.878 ( 0.312 1.627 -4.018) 4.346 14.013 ( -6.990 4.467 -4.827) 9.598 14.087 ( -7.546 3.384 -4.645) 9.485 14.252 ( -4.193 -6.708 9.393) 12.280 14.432 ( -2.235 -0.597 1.557) 2.789 14.565 ( -1.086 2.118 2.589) 3.517 14.714 ( 2.112 4.076 -2.134) 5.062 14.736 ( 3.268 1.708 1.276) 3.902 14.998 ( 2.581 3.205 -3.263) 5.252 15.059 ( -0.096 5.952 -4.253) 7.316 15.281 ( 2.878 5.943 -0.497) 6.622 15.393 ( 0.377 0.635 -0.774) 1.069 15.399 ( 1.137 0.771 1.765) 2.237 15.492 ( -2.403 3.757 1.384) 4.670 15.524 ( -2.028 3.813 -0.668) 4.370 15.755 ( 2.565 4.079 -2.426) 5.395 15.872 ( -2.434 1.000 1.407) 2.984 16.007 ( 0.508 -0.934 -3.340) 3.505 16.162 ( -3.042 -5.632 0.536) 6.424 16.339 ( 3.659 2.948 1.978) 5.098 16.497 ( -0.910 1.450 1.935) 2.584 16.665 ( 2.536 -7.154 1.487) 7.735 16.916 ( 0.900 -5.051 -3.131) 6.011 16.980 ( 3.015 -1.635 2.611) 4.310 17.021 ( 4.844 -3.761 -2.800) 6.742 19.198 ( 1.103 -0.662 -1.001) 1.630 19.359 ( 1.571 3.621 0.176) 3.951 19.449 ( -2.033 -5.663 1.510) 6.204 19.633 ( -1.819 -3.715 -2.090) 4.635 21.003 ( 0.959 2.537 1.237) 2.981 21.094 ( 1.234 1.055 -4.079) 4.391 21.142 ( -1.120 2.826 0.813) 3.147 21.229 ( -2.612 0.293 -0.362) 2.653 25.029 ( 0.457 0.739 0.669) 1.096 25.076 ( 0.405 -0.460 1.683) 1.791 25.459 ( 1.009 -0.259 0.546) 1.176 25.593 ( 2.703 -4.617 4.682) 7.110 25.936 ( 0.040 2.950 -1.629) 3.371 26.002 ( -0.250 2.115 -1.888) 2.846 26.182 ( -0.284 0.899 1.111) 1.457 26.186 ( -0.573 0.960 1.218) 1.654 26.731 ( -0.692 1.669 -1.088) 2.109 26.975 ( -1.142 -5.260 4.782) 7.200 27.096 ( -0.777 -0.748 -1.285) 1.677 27.205 ( 5.493 -3.635 5.889) 8.836 27.271 ( 3.982 -0.542 0.079) 4.019 27.316 ( 5.188 0.099 -2.949) 5.969 27.401 ( -0.183 -0.753 2.312) 2.438 27.474 ( -1.343 -1.454 -1.340) 2.390 27.591 ( -2.239 5.552 0.171) 5.989 27.648 ( 6.622 6.795 2.128) 9.724 27.894 ( -1.091 0.030 -6.933) 7.018 27.982 ( 0.296 -0.044 1.800) 1.824 28.064 ( 1.147 4.559 2.924) 5.537 28.230 ( -3.608 1.000 -5.701) 6.820 28.325 ( 1.707 2.576 0.518) 3.133 28.382 ( -1.279 -4.193 1.879) 4.769 28.451 ( 0.075 -1.660 -0.797) 1.843 28.534 ( -3.377 -2.796 0.218) 4.389 28.554 ( -5.957 -3.604 -1.683) 7.163 28.689 ( -3.631 -3.370 -4.023) 6.382 28.873 ( -7.170 5.949 3.864) 10.086 28.931 ( -3.559 7.328 -5.573) 9.870 29.301 ( -2.774 -2.598 2.103) 4.344 29.694 ( 2.294 -1.529 -3.780) 4.679 29.908 ( -0.966 2.032 2.445) 3.323 29.936 ( 0.401 2.019 8.738) 8.978 30.039 ( -0.373 -0.767 0.574) 1.028 30.298 ( -3.748 -6.781 -5.476) 9.488 30.373 ( -1.537 1.378 -6.871) 7.174 30.865 ( 3.758 -7.645 2.977) 9.024 31.356 ( 7.797 4.384 3.384) 9.564 31.615 ( 0.889 -2.885 -0.813) 3.126 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 -0.734 0.000) 0.734 1.684 ( 0.000 12.318 0.000) 12.318 1.694 ( -0.000 1.153 0.000) 1.153 1.810 ( 0.000 -3.904 0.000) 3.904 1.859 ( -0.000 4.803 0.000) 4.803 2.003 ( 0.000 -1.728 0.000) 1.728 2.166 ( 0.000 0.160 0.000) 0.160 2.391 ( 0.000 -7.848 0.000) 7.848 2.466 ( 0.000 1.463 -0.000) 1.463 2.596 ( 0.000 -3.528 0.000) 3.528 2.628 ( 0.000 2.502 0.000) 2.502 2.728 ( 0.000 -5.082 -0.000) 5.082 2.761 ( 0.000 -0.046 0.000) 0.046 2.841 ( 0.000 3.846 0.000) 3.846 2.870 ( 0.000 4.400 0.000) 4.400 3.000 ( 0.000 0.629 0.000) 0.629 3.051 ( 0.000 12.383 0.000) 12.383 3.105 ( 0.000 2.927 0.000) 2.927 3.146 ( 0.000 -2.524 0.000) 2.524 3.376 ( 0.000 -6.520 0.000) 6.520 3.454 ( 0.000 -3.540 0.000) 3.540 3.495 ( 0.000 9.036 0.000) 9.036 3.589 ( 0.000 -0.936 0.000) 0.936 3.771 ( 0.000 5.824 0.000) 5.824 3.810 ( 0.000 6.583 0.000) 6.583 3.903 ( -0.000 -4.005 -0.000) 4.005 3.942 ( 0.000 3.590 0.000) 3.590 4.020 ( 0.000 5.126 0.000) 5.126 4.044 ( 0.000 -3.374 0.000) 3.374 4.086 ( 0.000 0.250 0.000) 0.250 4.202 ( 0.000 3.870 -0.000) 3.870 4.254 ( 0.000 -2.204 0.000) 2.204 4.349 ( 0.000 0.096 0.000) 0.096 4.428 ( 0.000 -2.584 -0.000) 2.584 4.469 ( -0.000 4.677 0.000) 4.677 4.486 ( 0.000 2.315 0.000) 2.315 4.507 ( 0.000 1.837 -0.000) 1.837 4.645 ( 0.000 -2.302 0.000) 2.302 4.679 ( 0.000 0.094 0.000) 0.094 4.732 ( -0.000 -4.824 -0.000) 4.824 4.732 ( 0.000 -13.439 0.000) 13.439 4.883 ( 0.000 -3.134 -0.000) 3.134 4.966 ( 0.000 -2.089 0.000) 2.089 5.074 ( 0.000 0.118 0.000) 0.118 5.164 ( 0.000 7.690 0.000) 7.690 5.168 ( -0.000 4.148 -0.000) 4.148 5.259 ( 0.000 -0.805 0.000) 0.805 5.351 ( 0.000 2.881 0.000) 2.881 5.391 ( 0.000 -1.291 0.000) 1.291 5.414 ( 0.000 -0.850 -0.000) 0.850 5.511 ( 0.000 -2.740 0.000) 2.740 5.561 ( 0.000 -2.550 -0.000) 2.550 5.646 ( 0.000 3.251 0.000) 3.251 5.821 ( 0.000 -3.829 0.000) 3.829 5.829 ( 0.000 1.177 0.000) 1.177 5.875 ( 0.000 -0.791 0.000) 0.791 6.063 ( 0.000 -4.463 -0.000) 4.463 6.073 ( 0.000 -6.106 0.000) 6.106 6.245 ( 0.000 -2.416 0.000) 2.416 6.288 ( 0.000 -3.283 -0.000) 3.283 6.326 ( 0.000 -0.291 0.000) 0.291 6.341 ( 0.000 -1.525 0.000) 1.525 6.432 ( 0.000 -0.528 0.000) 0.528 6.590 ( 0.000 -3.686 -0.000) 3.686 6.643 ( 0.000 3.182 0.000) 3.182 6.806 ( 0.000 7.214 -0.000) 7.214 6.989 ( 0.000 -2.965 0.000) 2.965 7.103 ( 0.000 0.581 0.000) 0.581 7.218 ( 0.000 2.406 0.000) 2.406 7.379 ( 0.000 -1.143 0.000) 1.143 7.433 ( 0.000 4.236 0.000) 4.236 7.571 ( 0.000 -1.407 0.000) 1.407 7.693 ( 0.000 -6.222 -0.000) 6.222 7.819 ( 0.000 0.618 -0.000) 0.618 7.883 ( 0.000 -1.342 0.000) 1.342 7.917 ( 0.000 1.788 0.000) 1.788 8.111 ( 0.000 2.480 0.000) 2.480 8.200 ( 0.000 7.905 0.000) 7.905 8.367 ( 0.000 -1.116 -0.000) 1.116 8.374 ( -0.000 3.664 0.000) 3.664 8.439 ( 0.000 1.583 0.000) 1.583 8.588 ( 0.000 -7.046 0.000) 7.046 8.614 ( 0.000 -0.288 0.000) 0.288 8.876 ( 0.000 3.781 -0.000) 3.781 8.888 ( 0.000 1.002 0.000) 1.002 8.974 ( 0.000 2.770 0.000) 2.770 9.047 ( 0.000 -4.116 0.000) 4.116 9.129 ( 0.000 6.504 0.000) 6.504 9.293 ( 0.000 -0.393 0.000) 0.393 9.421 ( -0.000 -4.912 -0.000) 4.912 9.426 ( 0.000 6.260 0.000) 6.260 9.597 ( 0.000 -2.510 0.000) 2.510 9.666 ( 0.000 -4.579 0.000) 4.579 9.834 ( 0.000 -9.737 0.000) 9.737 9.961 ( -0.000 3.881 -0.000) 3.881 9.980 ( 0.000 1.120 0.000) 1.120 10.159 ( 0.000 7.367 0.000) 7.367 10.211 ( 0.000 -0.872 0.000) 0.872 10.362 ( 0.000 -1.587 -0.000) 1.587 10.373 ( 0.000 1.514 0.000) 1.514 10.604 ( 0.000 -5.122 0.000) 5.122 10.755 ( 0.000 -6.062 0.000) 6.062 10.854 ( 0.000 -3.613 0.000) 3.613 10.895 ( 0.000 -7.034 0.000) 7.034 11.002 ( 0.000 1.936 0.000) 1.936 11.077 ( 0.000 2.148 0.000) 2.148 11.301 ( 0.000 5.651 0.000) 5.651 11.367 ( 0.000 4.382 0.000) 4.382 11.969 ( 0.000 -0.027 0.000) 0.027 12.040 ( 0.000 -4.552 0.000) 4.552 12.095 ( 0.000 4.366 0.000) 4.366 12.254 ( 0.000 0.411 0.000) 0.411 12.381 ( 0.000 -5.432 -0.000) 5.432 12.382 ( -0.000 -5.612 0.000) 5.612 12.471 ( 0.000 -1.404 0.000) 1.404 12.537 ( 0.000 -5.565 -0.000) 5.565 12.562 ( 0.000 2.686 0.000) 2.686 12.627 ( -0.000 1.695 0.000) 1.695 12.664 ( 0.000 -3.167 -0.000) 3.167 12.835 ( 0.000 -2.283 0.000) 2.283 12.850 ( 0.000 -4.268 0.000) 4.268 12.938 ( 0.000 2.743 0.000) 2.743 13.032 ( 0.000 -4.094 -0.000) 4.094 13.052 ( 0.000 0.709 -0.000) 0.709 13.133 ( 0.000 0.540 0.000) 0.540 13.217 ( 0.000 0.518 0.000) 0.518 13.383 ( 0.000 -5.571 -0.000) 5.571 13.523 ( 0.000 -5.210 0.000) 5.210 13.727 ( 0.000 8.121 0.000) 8.121 13.776 ( 0.000 5.357 0.000) 5.357 13.793 ( 0.000 5.269 0.000) 5.269 13.894 ( 0.000 -1.339 0.000) 1.339 13.918 ( 0.000 3.305 -0.000) 3.305 13.994 ( 0.000 7.977 0.000) 7.977 14.270 ( 0.000 -6.514 -0.000) 6.514 14.418 ( 0.000 -1.408 0.000) 1.408 14.572 ( 0.000 -2.717 0.000) 2.717 14.695 ( 0.000 2.176 0.000) 2.176 14.792 ( 0.000 6.120 -0.000) 6.120 15.005 ( 0.000 5.524 0.000) 5.524 15.037 ( 0.000 5.655 0.000) 5.655 15.313 ( 0.000 4.899 0.000) 4.899 15.386 ( 0.000 -2.195 0.000) 2.195 15.432 ( 0.000 0.128 0.000) 0.128 15.487 ( 0.000 3.155 0.000) 3.155 15.490 ( -0.000 5.554 -0.000) 5.554 15.764 ( 0.000 5.068 0.000) 5.068 15.861 ( 0.000 0.545 -0.000) 0.545 15.993 ( 0.000 -0.496 0.000) 0.496 16.132 ( 0.000 -4.773 0.000) 4.773 16.388 ( 0.000 -0.375 0.000) 0.375 16.498 ( 0.000 4.235 0.000) 4.235 16.695 ( 0.000 -8.962 -0.000) 8.962 16.902 ( 0.000 -3.979 0.000) 3.979 17.027 ( 0.000 -1.041 0.000) 1.041 17.043 ( 0.000 -4.549 0.000) 4.549 19.203 ( 0.000 -0.263 0.000) 0.263 19.382 ( 0.000 3.126 0.000) 3.126 19.434 ( 0.000 -5.936 0.000) 5.936 19.602 ( 0.000 -3.329 0.000) 3.329 21.013 ( 0.000 1.526 0.000) 1.526 21.092 ( 0.000 0.577 -0.000) 0.577 21.130 ( 0.000 4.231 0.000) 4.231 21.204 ( 0.000 0.769 0.000) 0.769 25.036 ( 0.000 0.760 0.000) 0.760 25.088 ( 0.000 -0.519 0.000) 0.519 25.471 ( 0.000 0.097 0.000) 0.097 25.642 ( 0.000 -5.654 0.000) 5.654 25.928 ( 0.000 2.816 0.000) 2.816 25.992 ( 0.000 2.508 0.000) 2.508 26.185 ( 0.000 1.035 -0.000) 1.035 26.187 ( 0.000 0.736 0.000) 0.736 26.717 ( 0.000 2.496 0.000) 2.496 26.989 ( 0.000 -4.971 0.000) 4.971 27.081 ( 0.000 0.180 -0.000) 0.180 27.289 ( 0.000 -4.963 0.000) 4.963 27.307 ( 0.000 -1.036 0.000) 1.036 27.357 ( 0.000 -1.395 -0.000) 1.395 27.402 ( 0.000 1.052 0.000) 1.052 27.457 ( 0.000 -2.944 0.000) 2.944 27.569 ( 0.000 4.901 0.000) 4.901 27.786 ( 0.000 -1.930 -0.000) 1.930 27.812 ( 0.000 12.542 0.000) 12.542 27.989 ( 0.000 3.090 0.000) 3.090 28.119 ( 0.000 2.953 -0.000) 2.953 28.128 ( 0.000 -1.920 0.000) 1.920 28.348 ( 0.000 -7.859 0.000) 7.859 28.360 ( 0.000 2.249 -0.000) 2.249 28.460 ( -0.000 1.514 -0.000) 1.514 28.471 ( 0.000 -4.160 0.000) 4.160 28.513 ( 0.000 -1.444 0.000) 1.444 28.637 ( 0.000 -2.424 0.000) 2.424 28.832 ( 0.000 2.818 0.000) 2.818 28.861 ( 0.000 11.884 0.000) 11.884 29.292 ( 0.000 -3.704 0.000) 3.704 29.697 ( 0.000 -4.882 0.000) 4.882 29.912 ( 0.000 2.238 0.000) 2.238 29.983 ( 0.000 0.800 0.000) 0.800 30.038 ( 0.000 -1.039 0.000) 1.039 30.242 ( 0.000 -8.659 0.000) 8.659 30.317 ( 0.000 7.041 -0.000) 7.041 30.918 ( 0.000 -8.162 0.000) 8.162 31.450 ( 0.000 3.486 0.000) 3.486 31.610 ( 0.000 -1.256 0.000) 1.256 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 24.019 0.000) 24.019 1.258 ( 0.000 31.040 0.000) 31.040 1.323 ( 0.000 -20.066 0.000) 20.066 1.668 ( 0.000 2.731 0.000) 2.731 1.907 ( 0.000 2.274 0.000) 2.274 2.058 ( 0.000 -6.125 0.000) 6.125 2.245 ( 0.000 6.197 0.000) 6.197 2.351 ( 0.000 0.610 0.000) 0.610 2.413 ( 0.000 -4.807 0.000) 4.807 2.453 ( 0.000 -10.238 0.000) 10.238 2.538 ( 0.000 9.532 0.000) 9.532 2.691 ( 0.000 -5.762 0.000) 5.762 2.793 ( 0.000 1.505 0.000) 1.505 2.826 ( 0.000 -0.018 0.000) 0.018 2.960 ( 0.000 0.969 0.000) 0.969 2.974 ( 0.000 -0.344 0.000) 0.344 2.991 ( 0.000 4.466 0.000) 4.466 3.031 ( 0.000 -0.814 0.000) 0.814 3.151 ( 0.000 1.318 0.000) 1.318 3.233 ( 0.000 -8.521 0.000) 8.521 3.339 ( 0.000 2.237 0.000) 2.237 3.413 ( 0.000 -6.235 0.000) 6.235 3.457 ( 0.000 5.113 0.000) 5.113 3.502 ( 0.000 0.978 0.000) 0.978 3.686 ( 0.000 -3.180 0.000) 3.180 3.709 ( 0.000 -5.216 0.000) 5.216 3.977 ( 0.000 14.388 0.000) 14.388 4.036 ( 0.000 3.310 0.000) 3.310 4.100 ( 0.000 2.365 0.000) 2.365 4.132 ( 0.000 7.557 0.000) 7.557 4.238 ( 0.000 -1.374 0.000) 1.374 4.304 ( 0.000 1.525 0.000) 1.525 4.320 ( 0.000 -8.456 0.000) 8.456 4.346 ( 0.000 -2.340 0.000) 2.340 4.480 ( 0.000 -4.906 0.000) 4.906 4.503 ( 0.000 -8.367 0.000) 8.367 4.589 ( 0.000 11.849 0.000) 11.849 4.697 ( 0.000 1.917 0.000) 1.917 4.725 ( 0.000 -1.188 0.000) 1.188 4.785 ( 0.000 -8.664 0.000) 8.664 4.920 ( 0.000 4.720 0.000) 4.720 5.004 ( 0.000 -4.505 0.000) 4.505 5.055 ( 0.000 2.311 0.000) 2.311 5.065 ( 0.000 3.430 0.000) 3.430 5.255 ( 0.000 -1.191 0.000) 1.191 5.269 ( 0.000 -1.570 0.000) 1.570 5.451 ( 0.000 0.390 0.000) 0.390 5.453 ( 0.000 0.140 0.000) 0.140 5.526 ( 0.000 3.964 0.000) 3.964 5.574 ( 0.000 3.459 0.000) 3.459 5.638 ( 0.000 -4.794 0.000) 4.794 5.689 ( 0.000 -5.356 0.000) 5.356 5.702 ( 0.000 7.323 0.000) 7.323 5.829 ( 0.000 -1.979 0.000) 1.979 5.871 ( 0.000 -2.050 0.000) 2.050 5.950 ( 0.000 -5.854 0.000) 5.854 6.047 ( 0.000 2.928 0.000) 2.928 6.124 ( 0.000 -1.532 0.000) 1.532 6.155 ( 0.000 -0.382 0.000) 0.382 6.170 ( 0.000 -3.689 0.000) 3.689 6.458 ( 0.000 -0.000 0.000) 0.000 6.461 ( 0.000 4.296 0.000) 4.296 6.499 ( 0.000 -0.804 0.000) 0.804 6.567 ( 0.000 -5.220 0.000) 5.220 6.732 ( 0.000 0.232 0.000) 0.232 6.749 ( 0.000 -1.622 0.000) 1.622 7.011 ( 0.000 4.413 0.000) 4.413 7.097 ( 0.000 -4.408 0.000) 4.408 7.357 ( 0.000 2.256 0.000) 2.256 7.357 ( 0.000 2.052 0.000) 2.052 7.533 ( 0.000 2.087 0.000) 2.087 7.535 ( 0.000 1.731 0.000) 1.731 7.681 ( 0.000 1.104 0.000) 1.104 7.724 ( 0.000 -3.202 0.000) 3.202 7.811 ( 0.000 0.965 0.000) 0.965 7.838 ( 0.000 -1.987 0.000) 1.987 8.174 ( 0.000 8.600 0.000) 8.600 8.304 ( 0.000 -5.254 0.000) 5.254 8.562 ( 0.000 3.308 0.000) 3.308 8.634 ( 0.000 -3.718 0.000) 3.718 8.754 ( 0.000 5.370 0.000) 5.370 8.819 ( 0.000 -0.210 0.000) 0.210 8.850 ( 0.000 7.599 0.000) 7.599 8.878 ( 0.000 -4.161 0.000) 4.161 8.909 ( 0.000 -4.407 0.000) 4.407 9.000 ( 0.000 -6.965 0.000) 6.965 9.045 ( 0.000 5.703 0.000) 5.703 9.142 ( 0.000 -5.652 0.000) 5.652 9.306 ( 0.000 5.871 0.000) 5.871 9.375 ( 0.000 -2.037 0.000) 2.037 9.394 ( 0.000 8.334 0.000) 8.334 9.498 ( 0.000 6.184 0.000) 6.184 9.581 ( 0.000 -3.004 0.000) 3.004 9.631 ( 0.000 -15.137 0.000) 15.137 9.869 ( 0.000 7.420 0.000) 7.420 9.959 ( 0.000 -2.416 0.000) 2.416 10.157 ( 0.000 -1.357 0.000) 1.357 10.167 ( 0.000 -2.485 0.000) 2.485 10.260 ( 0.000 2.311 0.000) 2.311 10.334 ( 0.000 -4.783 0.000) 4.783 10.574 ( 0.000 4.231 0.000) 4.231 10.671 ( 0.000 -6.120 0.000) 6.120 10.767 ( 0.000 1.277 0.000) 1.277 10.826 ( 0.000 -3.743 0.000) 3.743 11.072 ( 0.000 2.854 0.000) 2.854 11.135 ( 0.000 -4.442 0.000) 4.442 11.393 ( 0.000 2.010 0.000) 2.010 11.425 ( 0.000 -0.616 0.000) 0.616 11.841 ( 0.000 3.958 0.000) 3.958 11.938 ( 0.000 -7.866 0.000) 7.866 12.077 ( 0.000 5.567 0.000) 5.567 12.170 ( 0.000 -4.183 0.000) 4.183 12.349 ( 0.000 8.989 0.000) 8.989 12.376 ( 0.000 2.106 0.000) 2.106 12.396 ( 0.000 -0.068 0.000) 0.068 12.446 ( 0.000 -0.013 0.000) 0.013 12.606 ( 0.000 3.921 0.000) 3.921 12.680 ( 0.000 -5.323 0.000) 5.323 12.750 ( 0.000 -0.504 0.000) 0.504 12.782 ( 0.000 -5.816 0.000) 5.816 12.939 ( 0.000 3.263 0.000) 3.263 13.002 ( 0.000 -3.906 0.000) 3.906 13.066 ( 0.000 5.741 0.000) 5.741 13.132 ( 0.000 3.704 0.000) 3.704 13.177 ( 0.000 -3.666 0.000) 3.666 13.224 ( 0.000 -7.302 0.000) 7.302 13.387 ( 0.000 1.756 0.000) 1.756 13.408 ( 0.000 -0.712 0.000) 0.712 13.509 ( 0.000 6.147 0.000) 6.147 13.629 ( 0.000 -6.194 0.000) 6.194 13.843 ( 0.000 4.385 0.000) 4.385 13.906 ( 0.000 -2.604 0.000) 2.604 14.018 ( 0.000 0.646 0.000) 0.646 14.095 ( 0.000 -7.272 0.000) 7.272 14.520 ( 0.000 10.139 0.000) 10.139 14.533 ( 0.000 6.909 0.000) 6.909 14.646 ( 0.000 -2.070 0.000) 2.070 14.708 ( 0.000 -6.165 0.000) 6.165 14.850 ( 0.000 7.086 0.000) 7.086 14.950 ( 0.000 -3.848 0.000) 3.848 15.346 ( 0.000 2.927 0.000) 2.927 15.410 ( 0.000 -3.491 0.000) 3.491 15.458 ( 0.000 0.577 0.000) 0.577 15.491 ( 0.000 -2.260 0.000) 2.260 15.685 ( 0.000 10.331 0.000) 10.331 15.727 ( 0.000 10.492 0.000) 10.492 15.843 ( 0.000 -2.605 0.000) 2.605 15.930 ( 0.000 -7.908 0.000) 7.908 16.004 ( 0.000 -1.724 0.000) 1.724 16.086 ( 0.000 -9.356 0.000) 9.356 16.243 ( 0.000 7.181 0.000) 7.181 16.368 ( 0.000 -5.465 0.000) 5.465 16.646 ( 0.000 1.552 0.000) 1.552 16.676 ( 0.000 -1.678 0.000) 1.678 16.876 ( 0.000 2.903 0.000) 2.903 16.914 ( 0.000 -1.442 0.000) 1.442 19.215 ( 0.000 6.376 0.000) 6.376 19.348 ( 0.000 -7.879 0.000) 7.879 19.457 ( 0.000 8.797 0.000) 8.797 19.640 ( 0.000 -10.966 0.000) 10.966 21.009 ( 0.000 6.311 0.000) 6.311 21.106 ( 0.000 -4.289 0.000) 4.289 21.139 ( 0.000 3.089 0.000) 3.089 21.191 ( 0.000 -2.471 0.000) 2.471 24.977 ( 0.000 0.555 0.000) 0.555 24.996 ( 0.000 -1.491 0.000) 1.491 25.320 ( 0.000 2.094 0.000) 2.094 25.358 ( 0.000 -1.937 0.000) 1.937 26.092 ( 0.000 0.793 0.000) 0.793 26.106 ( 0.000 -0.741 0.000) 0.741 26.177 ( 0.000 2.699 0.000) 2.699 26.220 ( 0.000 -1.831 0.000) 1.831 26.537 ( 0.000 5.073 0.000) 5.073 26.633 ( 0.000 -5.162 0.000) 5.162 27.063 ( 0.000 3.014 0.000) 3.014 27.111 ( 0.000 -1.666 0.000) 1.666 27.155 ( 0.000 0.132 0.000) 0.132 27.164 ( 0.000 -1.527 0.000) 1.527 27.418 ( 0.000 4.647 0.000) 4.647 27.497 ( 0.000 -3.489 0.000) 3.489 27.613 ( 0.000 5.101 0.000) 5.101 27.707 ( 0.000 -4.996 0.000) 4.996 27.973 ( 0.000 1.746 0.000) 1.746 28.016 ( 0.000 -2.781 0.000) 2.781 28.267 ( 0.000 5.337 0.000) 5.337 28.299 ( 0.000 1.137 0.000) 1.137 28.304 ( 0.000 0.357 0.000) 0.357 28.363 ( 0.000 -3.058 0.000) 3.058 28.474 ( 0.000 -0.696 0.000) 0.696 28.505 ( 0.000 -1.993 0.000) 1.993 28.792 ( 0.000 1.604 0.000) 1.604 28.857 ( 0.000 -5.550 0.000) 5.550 29.223 ( 0.000 9.954 0.000) 9.954 29.386 ( 0.000 -7.348 0.000) 7.348 29.519 ( 0.000 4.569 0.000) 4.569 29.582 ( 0.000 -2.368 0.000) 2.368 29.793 ( 0.000 1.312 0.000) 1.312 29.824 ( 0.000 -2.145 0.000) 2.145 30.018 ( 0.000 2.899 0.000) 2.899 30.067 ( 0.000 -2.348 0.000) 2.348 30.733 ( 0.000 1.476 0.000) 1.476 30.764 ( 0.000 -1.454 0.000) 1.454 31.016 ( 0.000 4.490 0.000) 4.490 31.119 ( 0.000 -6.124 0.000) 6.124 ======================= Grid point 19 (12/63) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 11.327 22.420 12.443) 28.032 1.343 ( 15.094 21.232 11.604) 28.518 1.638 ( 17.219 -13.480 17.925) 28.275 1.797 ( 8.495 -13.808 6.435) 17.442 1.982 ( 9.385 10.036 5.951) 14.973 2.104 ( 2.306 -4.163 6.227) 7.837 2.296 ( 3.177 6.250 2.181) 7.342 2.353 ( 0.375 0.307 -0.663) 0.821 2.425 ( 1.736 -5.212 -1.218) 5.627 2.454 ( 1.616 -5.963 -0.560) 6.204 2.677 ( 6.119 7.981 7.785) 12.718 2.733 ( -1.783 -0.325 -4.883) 5.209 2.745 ( 1.203 -0.125 -7.804) 7.897 2.798 ( 2.563 -2.836 1.836) 4.240 2.889 ( -4.783 1.539 -5.662) 7.570 2.942 ( -5.558 -4.146 -3.272) 7.667 2.964 ( 2.835 5.258 -2.458) 6.459 3.041 ( 2.074 0.730 1.297) 2.552 3.200 ( 0.490 0.673 6.591) 6.643 3.253 ( -1.576 -3.531 4.766) 6.137 3.350 ( 4.606 2.688 -6.030) 8.050 3.410 ( 2.289 -5.711 -5.805) 8.459 3.464 ( 1.064 4.610 0.276) 4.739 3.522 ( 2.217 -3.549 3.421) 5.406 3.732 ( 3.605 -2.186 3.491) 5.474 3.788 ( 6.035 -4.989 5.029) 9.305 3.918 ( -2.806 11.693 -3.923) 12.649 4.025 ( -1.188 -0.066 -2.530) 2.796 4.080 ( -3.000 7.421 3.712) 8.823 4.108 ( -3.008 6.676 1.689) 7.515 4.228 ( -5.281 -0.360 -4.796) 7.143 4.274 ( 0.429 1.783 2.544) 3.136 4.292 ( -3.465 -0.396 0.351) 3.505 4.325 ( 0.022 -7.324 1.331) 7.443 4.442 ( -1.902 -3.228 -1.158) 3.922 4.483 ( -3.847 -7.386 -0.112) 8.328 4.600 ( 1.023 8.451 0.074) 8.513 4.635 ( -3.544 2.189 -4.068) 5.822 4.683 ( -2.881 -2.454 -3.789) 5.356 4.785 ( -0.100 -9.100 -3.007) 9.585 4.910 ( -1.937 4.126 1.112) 4.692 4.971 ( -2.357 -1.323 -0.959) 2.868 4.987 ( -3.904 2.196 2.556) 5.157 5.059 ( -3.413 -3.735 0.344) 5.071 5.247 ( 2.919 5.309 -3.046) 6.781 5.332 ( 3.510 -3.403 -2.354) 5.426 5.405 ( -3.473 2.465 -2.345) 4.862 5.427 ( -3.331 -0.427 -1.375) 3.629 5.488 ( -1.147 2.158 -1.408) 2.821 5.540 ( -2.371 -2.808 -1.050) 3.822 5.614 ( 0.783 2.928 -2.155) 3.719 5.655 ( -1.238 4.801 -5.371) 7.310 5.700 ( 0.694 -4.409 -2.354) 5.046 5.784 ( -3.034 -7.289 -3.840) 8.779 5.913 ( 3.384 5.049 1.556) 6.275 6.007 ( -0.043 -3.031 4.181) 5.164 6.024 ( -6.636 -0.179 6.269) 9.131 6.059 ( -2.845 -4.630 -0.459) 5.453 6.134 ( 3.767 0.203 -6.436) 7.460 6.183 ( 0.672 -4.580 -1.559) 4.885 6.421 ( -6.058 2.133 3.590) 7.358 6.426 ( -2.155 2.563 -1.800) 3.802 6.498 ( -0.674 -0.593 1.394) 1.658 6.514 ( -0.802 -1.850 -3.184) 3.769 6.749 ( 1.016 1.238 0.563) 1.697 6.801 ( 3.043 -4.460 0.740) 5.450 7.035 ( -0.277 6.538 3.220) 7.293 7.162 ( 3.269 -6.584 2.541) 7.777 7.339 ( -0.555 5.111 0.606) 5.176 7.389 ( -0.976 -1.038 2.113) 2.549 7.509 ( -0.816 5.345 -1.411) 5.588 7.546 ( 1.463 0.500 -1.618) 2.237 7.670 ( -0.713 2.041 1.525) 2.646 7.747 ( 1.143 -5.168 -0.318) 5.302 7.804 ( -1.365 2.609 2.129) 3.634 7.875 ( -0.587 -6.083 6.526) 8.941 8.174 ( 0.610 9.349 -2.299) 9.647 8.320 ( 1.793 -5.981 -1.406) 6.401 8.498 ( -5.850 2.746 0.138) 6.464 8.536 ( -8.091 -0.382 2.964) 8.626 8.686 ( -6.482 1.164 -0.601) 6.613 8.737 ( -8.389 -4.682 0.585) 9.625 8.774 ( -0.681 6.616 -0.813) 6.701 8.892 ( 0.676 -5.522 -0.665) 5.602 8.980 ( 2.392 4.603 0.060) 5.188 9.040 ( 0.365 0.770 -1.739) 1.936 9.082 ( 2.266 1.505 1.830) 3.278 9.186 ( 5.254 -6.685 -2.617) 8.896 9.290 ( -1.358 4.061 -1.668) 4.595 9.334 ( -0.590 0.723 -1.992) 2.200 9.422 ( 2.106 4.892 1.089) 5.436 9.519 ( 0.682 2.925 0.359) 3.025 9.594 ( 0.834 -4.915 0.120) 4.987 9.631 ( 0.784 -10.487 1.006) 10.564 9.884 ( 1.861 5.932 -0.851) 6.275 9.983 ( 1.325 -4.049 1.463) 4.504 10.159 ( -0.305 0.301 0.922) 1.016 10.176 ( 1.421 -1.742 -0.993) 2.458 10.303 ( 4.615 0.616 -0.876) 4.738 10.341 ( 0.880 -2.669 -0.160) 2.815 10.582 ( 0.026 3.640 1.347) 3.881 10.681 ( 0.289 -6.783 1.483) 6.949 10.767 ( 0.043 1.647 -0.286) 1.672 10.836 ( 0.474 -4.676 0.566) 4.733 11.112 ( 2.395 2.561 3.117) 4.691 11.159 ( 1.840 -2.512 2.425) 3.947 11.335 ( -2.475 2.533 -5.504) 6.545 11.373 ( -2.361 -0.993 -6.414) 6.907 11.874 ( 2.128 3.520 2.763) 4.955 11.969 ( 1.289 -7.281 2.623) 7.846 12.048 ( -1.276 5.698 -1.452) 6.017 12.150 ( -1.481 -4.946 -1.068) 5.273 12.339 ( -2.659 2.515 1.232) 3.862 12.355 ( 0.315 0.493 0.515) 0.779 12.397 ( -2.204 7.048 5.958) 9.488 12.509 ( -1.406 -2.713 6.395) 7.088 12.565 ( -2.798 4.637 -2.343) 5.901 12.660 ( -1.475 -4.933 -3.021) 5.969 12.726 ( -2.116 -0.398 0.713) 2.268 12.763 ( -0.717 -4.656 -0.635) 4.754 12.924 ( -1.439 6.797 0.191) 6.951 13.009 ( 4.106 -1.950 -4.239) 6.216 13.076 ( 1.077 2.419 1.151) 2.887 13.147 ( -3.315 3.208 -2.197) 5.110 13.181 ( 2.855 -3.881 2.015) 5.222 13.246 ( 3.400 -3.635 -4.238) 6.537 13.334 ( -8.434 3.415 1.101) 9.166 13.411 ( -3.478 -3.939 3.349) 6.231 13.508 ( -1.901 -1.380 -1.095) 2.591 13.527 ( 4.601 -1.773 1.229) 5.082 13.860 ( -0.788 4.844 3.901) 6.269 13.941 ( 1.137 -1.188 1.046) 1.949 14.067 ( -1.503 0.094 6.855) 7.018 14.154 ( 3.120 -6.934 2.152) 7.902 14.525 ( -0.114 5.709 -1.596) 5.929 14.542 ( 1.998 8.717 0.227) 8.946 14.582 ( -3.829 -0.847 -4.802) 6.200 14.685 ( -2.684 -3.993 1.035) 4.921 14.836 ( 0.737 6.185 -4.160) 7.490 14.929 ( -0.859 -4.635 -1.881) 5.075 15.330 ( -1.551 2.026 0.055) 2.552 15.358 ( -1.265 -0.579 -5.956) 6.116 15.443 ( -2.061 3.903 1.940) 4.821 15.510 ( 1.475 -3.738 -1.244) 4.207 15.649 ( -3.942 6.826 1.691) 8.062 15.700 ( -5.708 4.993 -3.749) 8.460 15.768 ( 3.118 6.419 -2.313) 7.502 15.956 ( 1.692 -8.519 -2.983) 9.184 16.036 ( 1.610 0.524 -0.894) 1.914 16.082 ( -0.645 -6.790 -0.300) 6.828 16.273 ( 3.123 6.004 0.853) 6.821 16.394 ( 2.880 -5.851 0.214) 6.525 16.633 ( -2.159 5.304 0.395) 5.741 16.729 ( 3.137 -5.182 0.637) 6.091 16.827 ( -0.267 3.015 -3.981) 5.001 16.873 ( 0.557 -1.498 -2.551) 3.011 19.209 ( 0.595 4.124 -1.937) 4.595 19.314 ( -0.723 -6.355 -1.518) 6.574 19.477 ( 0.515 6.464 0.121) 6.485 19.623 ( -0.774 -8.734 -1.636) 8.920 21.023 ( 0.789 6.395 0.998) 6.521 21.118 ( 1.081 -2.898 0.321) 3.110 21.162 ( 1.204 2.225 -0.301) 2.548 21.225 ( 2.703 -3.620 0.561) 4.552 24.996 ( 0.317 0.069 2.703) 2.722 25.001 ( 0.263 -0.439 0.953) 1.082 25.351 ( 2.364 1.123 1.731) 3.137 25.378 ( 1.865 -1.601 0.578) 2.525 26.075 ( -0.736 1.792 -3.344) 3.864 26.093 ( -0.078 -0.218 -2.600) 2.611 26.171 ( -1.040 1.569 1.982) 2.734 26.185 ( -1.755 0.340 1.434) 2.291 26.648 ( 4.933 0.921 6.047) 7.858 26.698 ( 3.734 -4.401 4.948) 7.602 27.053 ( -1.220 3.132 0.578) 3.410 27.111 ( -0.049 -2.746 -0.332) 2.766 27.157 ( 1.794 0.803 -1.722) 2.614 27.181 ( 3.119 -1.592 -1.688) 3.887 27.407 ( 0.176 4.265 -1.960) 4.697 27.487 ( -0.054 -4.072 -1.858) 4.476 27.632 ( 1.209 6.632 1.669) 6.945 27.743 ( 2.339 -5.078 2.808) 6.256 27.894 ( -3.600 5.120 -5.387) 8.258 27.985 ( -1.523 -4.984 -2.960) 5.993 28.239 ( -2.424 5.708 -1.530) 6.387 28.285 ( 0.352 2.313 -0.248) 2.353 28.314 ( -0.658 -1.513 1.668) 2.347 28.364 ( 0.130 -5.710 -1.116) 5.820 28.465 ( -0.385 3.927 0.520) 3.980 28.534 ( 0.580 -2.495 1.691) 3.069 28.758 ( -4.519 1.021 1.095) 4.760 28.814 ( -3.838 -5.041 -0.477) 6.354 29.101 ( -8.064 7.361 -0.161) 10.920 29.232 ( -10.130 -6.551 -0.602) 12.079 29.584 ( -0.540 7.105 -0.966) 7.191 29.676 ( 5.715 -1.820 -2.926) 6.673 29.818 ( 0.958 5.229 6.656) 8.519 29.903 ( 0.048 -2.767 7.145) 7.662 30.061 ( 1.138 0.049 0.649) 1.311 30.099 ( 8.184 -5.219 -2.815) 10.106 30.632 ( -7.524 1.573 -1.420) 7.817 30.702 ( -5.901 -5.795 0.096) 8.272 31.093 ( 8.943 8.574 0.229) 12.391 31.255 ( 11.163 -9.344 0.145) 14.558 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 6.504 21.571 7.039) 23.604 1.727 ( 14.442 12.077 0.909) 18.848 1.902 ( -2.035 -13.805 6.158) 15.252 1.969 ( 7.003 -9.964 0.237) 12.181 2.229 ( -5.247 1.278 1.969) 5.748 2.276 ( -0.045 -3.698 1.510) 3.994 2.355 ( -5.293 2.001 -9.572) 11.119 2.376 ( 6.428 4.186 10.801) 13.248 2.432 ( -1.345 -4.388 -8.487) 9.649 2.487 ( 14.932 -2.650 6.126) 16.356 2.625 ( 1.955 0.592 -10.677) 10.871 2.654 ( 2.887 -4.389 -5.327) 7.481 2.678 ( -5.220 2.759 -3.373) 6.799 2.770 ( -7.525 -7.670 -2.261) 10.980 2.885 ( 1.070 2.320 5.101) 5.705 2.904 ( 3.805 3.934 5.307) 7.623 3.049 ( 7.147 7.356 -1.427) 10.355 3.122 ( 5.175 3.730 0.312) 6.387 3.217 ( -2.009 0.248 -1.932) 2.798 3.258 ( -1.749 1.994 2.399) 3.576 3.385 ( 4.676 5.250 -0.936) 7.092 3.411 ( 5.509 -2.392 -4.199) 7.328 3.532 ( 6.490 5.770 3.224) 9.263 3.687 ( 10.000 -11.128 5.053) 15.791 3.799 ( -1.593 4.546 -0.233) 4.823 3.854 ( -1.344 -1.280 0.662) 1.971 3.932 ( 0.174 9.007 3.691) 9.735 4.043 ( 1.223 1.476 1.979) 2.756 4.072 ( 6.390 -0.009 0.074) 6.391 4.099 ( -1.187 4.182 1.931) 4.757 4.109 ( -1.189 -0.945 2.985) 3.349 4.217 ( -4.063 -3.230 -0.873) 5.263 4.312 ( -1.136 1.632 3.753) 4.247 4.347 ( -1.877 -4.528 4.318) 6.532 4.379 ( -5.253 -1.069 2.019) 5.728 4.408 ( -1.993 -4.124 -2.172) 5.069 4.523 ( -2.550 3.305 -1.336) 4.383 4.597 ( -1.070 -0.639 -2.790) 3.055 4.629 ( -1.815 -2.534 2.138) 3.779 4.712 ( -3.518 -6.108 -4.330) 8.273 4.859 ( -4.865 4.205 1.843) 6.690 4.918 ( -2.335 -1.283 -2.228) 3.473 4.974 ( -1.882 0.916 1.855) 2.797 5.025 ( -1.209 -4.876 3.181) 5.946 5.264 ( 2.368 4.905 -2.641) 6.053 5.301 ( -2.193 0.888 -4.129) 4.758 5.339 ( 0.046 0.572 -3.795) 3.838 5.353 ( 0.054 -0.993 -3.938) 4.061 5.444 ( -3.103 4.344 -0.220) 5.343 5.514 ( -3.652 -2.578 -0.786) 4.539 5.585 ( -0.357 1.025 -3.267) 3.443 5.601 ( 0.845 1.882 -1.324) 2.451 5.646 ( -2.674 -1.338 -3.382) 4.514 5.722 ( -1.133 -6.322 -0.639) 6.455 5.915 ( -3.340 -0.365 -0.840) 3.463 5.944 ( -4.763 -3.333 2.473) 6.317 6.018 ( 0.399 1.067 -2.376) 2.635 6.060 ( -2.363 -3.796 2.515) 5.130 6.155 ( 4.063 1.830 -1.023) 4.572 6.207 ( 3.213 -3.010 -2.261) 4.949 6.350 ( -2.793 1.669 -1.066) 3.424 6.379 ( -1.892 -1.193 -1.245) 2.560 6.484 ( -1.785 0.618 1.404) 2.353 6.506 ( -1.011 -1.232 2.863) 3.277 6.757 ( -0.319 2.856 -0.244) 2.884 6.826 ( -0.663 -3.699 0.272) 3.767 7.060 ( -1.156 6.011 3.817) 7.214 7.195 ( -2.616 -6.889 1.386) 7.498 7.339 ( -0.710 3.799 0.927) 3.975 7.365 ( -1.904 0.548 -0.017) 1.982 7.467 ( -1.082 5.736 -2.868) 6.504 7.533 ( 0.127 -0.037 -3.731) 3.733 7.706 ( 0.352 -0.546 3.815) 3.870 7.747 ( -0.465 -4.220 0.789) 4.318 7.819 ( -0.908 3.796 4.985) 6.331 7.923 ( -0.612 -7.269 4.293) 8.464 8.142 ( -1.291 8.366 -0.580) 8.484 8.291 ( -2.832 -6.770 -1.774) 7.550 8.426 ( -3.539 5.429 1.295) 6.609 8.491 ( -0.726 -0.156 0.785) 1.080 8.579 ( -4.315 1.320 -1.649) 4.804 8.637 ( -2.971 -4.779 -1.696) 5.877 8.738 ( -3.052 6.036 -0.100) 6.765 8.871 ( -3.911 -7.221 2.215) 8.506 8.975 ( 1.566 2.660 -3.378) 4.576 9.009 ( -2.109 -0.753 -0.347) 2.266 9.106 ( -1.107 8.412 -1.822) 8.678 9.212 ( 1.040 -0.080 -2.083) 2.330 9.272 ( 2.894 0.197 -1.814) 3.421 9.307 ( -0.137 -2.940 -2.953) 4.170 9.497 ( 3.505 0.901 2.372) 4.327 9.514 ( -1.384 1.343 1.623) 2.520 9.619 ( 2.501 -2.124 -1.515) 3.615 9.670 ( 2.248 -7.589 -0.532) 7.933 9.909 ( 1.998 4.665 -0.221) 5.079 10.010 ( 0.349 -4.696 1.148) 4.847 10.162 ( 0.246 1.440 0.157) 1.469 10.193 ( 1.527 -2.373 -1.173) 3.056 10.353 ( 2.941 1.521 -2.015) 3.876 10.380 ( 3.422 -0.821 -0.605) 3.571 10.586 ( -2.324 3.465 2.782) 5.015 10.699 ( -1.171 -7.638 2.415) 8.096 10.762 ( 0.705 1.051 -1.827) 2.223 10.835 ( 0.535 -6.414 -3.211) 7.193 11.151 ( -0.816 4.506 -3.122) 5.542 11.225 ( -1.730 -2.784 -4.615) 5.660 11.270 ( 2.059 2.586 3.426) 4.760 11.281 ( 1.431 1.677 1.714) 2.793 11.942 ( 2.050 1.476 0.981) 2.710 11.972 ( 0.050 -0.530 -2.173) 2.237 12.083 ( 2.497 -0.504 4.744) 5.385 12.129 ( -0.715 -4.244 3.208) 5.368 12.307 ( -3.501 3.322 1.896) 5.185 12.367 ( -3.119 -1.269 4.167) 5.357 12.432 ( 0.194 1.619 4.493) 4.780 12.475 ( -3.282 0.243 0.610) 3.348 12.504 ( -4.138 2.327 1.469) 4.970 12.613 ( -0.289 -5.028 -0.460) 5.057 12.723 ( 0.007 0.407 0.539) 0.675 12.744 ( -0.849 -3.820 0.802) 3.995 12.897 ( -2.564 8.624 0.246) 9.000 13.015 ( -1.197 -0.533 -4.787) 4.963 13.074 ( 0.160 0.008 -0.670) 0.689 13.120 ( 1.074 -0.343 1.005) 1.511 13.167 ( -4.305 0.692 -2.739) 5.150 13.234 ( 0.256 -6.057 -1.354) 6.212 13.290 ( -2.137 -0.671 -2.149) 3.104 13.321 ( 3.710 -3.647 0.380) 5.216 13.648 ( 10.194 0.907 1.854) 10.401 13.656 ( 7.265 0.211 0.894) 7.323 13.879 ( -2.083 4.831 4.552) 6.957 13.956 ( -0.323 0.765 0.995) 1.296 14.078 ( -4.923 -0.191 7.637) 9.089 14.170 ( -4.907 -6.492 3.820) 8.990 14.394 ( -7.979 5.526 -6.842) 11.874 14.463 ( -3.970 -1.467 -4.180) 5.949 14.645 ( 2.011 2.238 3.546) 4.650 14.662 ( 0.176 2.456 2.579) 3.566 14.801 ( 1.991 5.194 -5.817) 8.048 14.910 ( 1.872 -6.082 -2.310) 6.770 15.282 ( 0.316 5.122 -5.256) 7.345 15.319 ( 0.481 0.135 -0.903) 1.032 15.432 ( -1.695 5.266 2.441) 6.047 15.491 ( -1.032 0.077 -3.241) 3.402 15.592 ( -3.007 3.891 0.100) 4.919 15.612 ( -2.929 1.377 0.703) 3.312 15.814 ( 4.118 8.335 -1.845) 9.479 15.952 ( 0.194 -2.141 -1.710) 2.746 16.002 ( -0.726 0.028 -3.787) 3.856 16.063 ( -1.327 -7.817 -0.700) 7.960 16.346 ( 4.151 5.717 -0.114) 7.066 16.449 ( 3.298 -4.936 -1.859) 6.221 16.598 ( -2.132 5.965 3.410) 7.194 16.753 ( 0.375 -9.329 0.852) 9.376 16.882 ( 6.062 -1.111 -1.408) 6.322 16.890 ( 3.871 -1.591 -1.501) 4.446 19.208 ( 1.079 3.674 -0.855) 3.923 19.310 ( 0.762 -6.830 -0.383) 6.883 19.467 ( -1.363 5.770 0.201) 5.932 19.586 ( -1.758 -6.793 -1.251) 7.128 21.047 ( 1.347 4.998 -0.183) 5.180 21.122 ( -0.159 -3.047 -1.424) 3.367 21.182 ( 1.937 4.134 -1.330) 4.754 21.248 ( -0.595 -2.927 0.274) 3.000 25.023 ( 0.581 0.655 1.641) 1.860 25.034 ( 0.622 -0.542 2.672) 2.796 25.416 ( 2.601 0.157 1.394) 2.955 25.435 ( 3.243 -1.890 2.374) 4.441 26.025 ( -0.761 2.949 -3.044) 4.306 26.054 ( -0.641 -0.180 -2.952) 3.026 26.187 ( -0.358 0.806 2.409) 2.566 26.192 ( -0.584 0.313 2.521) 2.606 26.753 ( 1.295 1.666 3.728) 4.284 26.811 ( 1.948 -4.921 5.780) 7.837 27.059 ( 0.825 1.489 2.607) 3.114 27.098 ( -0.705 -2.682 0.122) 2.776 27.202 ( 5.338 1.704 -1.883) 5.911 27.237 ( 5.004 -1.837 -1.575) 5.558 27.397 ( 1.246 3.142 -2.031) 3.943 27.463 ( -0.163 -3.808 -2.192) 4.397 27.682 ( 1.545 7.435 2.901) 8.129 27.766 ( -4.492 1.217 -1.023) 4.765 27.851 ( 4.747 0.865 0.766) 4.886 27.933 ( -0.249 -5.057 -2.680) 5.729 28.182 ( -1.976 6.283 -1.310) 6.716 28.297 ( -1.812 -5.851 0.504) 6.146 28.311 ( 1.933 2.978 0.001) 3.550 28.364 ( 1.033 -2.630 -0.861) 2.953 28.453 ( -1.735 4.723 -0.272) 5.039 28.537 ( -1.974 -3.217 0.181) 3.779 28.658 ( -6.651 0.989 -1.662) 6.927 28.721 ( -4.015 -5.030 -4.492) 7.848 28.996 ( -6.219 3.869 3.434) 8.090 29.084 ( -7.435 -4.778 1.732) 9.006 29.491 ( -6.554 11.281 -2.156) 13.224 29.668 ( -1.048 -6.435 -4.034) 7.667 29.918 ( -0.569 4.710 8.279) 9.542 29.940 ( 0.115 1.582 2.479) 2.943 30.056 ( -0.093 2.782 -1.916) 3.379 30.188 ( 3.320 -10.619 -4.337) 11.941 30.515 ( -3.321 3.958 -1.920) 5.512 30.637 ( -0.661 -8.484 1.100) 8.581 31.281 ( 9.977 8.125 2.439) 13.095 31.432 ( 8.085 -8.496 1.141) 11.784 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 1.682 10.927 0.861) 11.089 1.809 ( -5.533 -5.007 -4.572) 8.751 1.879 ( -2.831 4.535 -4.160) 6.774 1.943 ( -6.219 4.100 -10.884) 13.189 1.991 ( -4.312 -3.711 -5.234) 7.730 2.053 ( -7.697 -3.603 -9.739) 12.926 2.255 ( 0.281 5.169 -8.646) 10.077 2.297 ( -1.708 0.020 0.667) 1.834 2.517 ( -1.491 -1.575 -3.177) 3.846 2.550 ( 2.511 -4.576 -10.216) 11.472 2.594 ( 3.100 0.693 3.467) 4.702 2.676 ( 2.741 -6.164 -1.420) 6.894 2.710 ( -2.055 -1.120 2.968) 3.780 2.746 ( -0.795 -6.079 6.247) 8.753 2.956 ( 0.880 3.713 -1.985) 4.301 3.002 ( 0.653 -1.535 2.436) 2.952 3.078 ( 4.604 5.011 -0.558) 6.828 3.167 ( 3.418 -2.147 -0.471) 4.064 3.231 ( 1.454 6.954 1.197) 7.204 3.284 ( 0.944 1.202 1.720) 2.301 3.456 ( 2.869 4.728 0.284) 5.538 3.501 ( 6.770 -0.684 -1.947) 7.077 3.700 ( 0.062 8.574 0.081) 8.574 3.763 ( 3.499 3.694 4.690) 6.919 3.828 ( 7.751 7.997 0.069) 11.137 3.864 ( -0.947 4.384 -0.370) 4.501 4.000 ( -2.899 -1.738 -0.027) 3.380 4.023 ( 9.034 -6.297 -1.133) 11.070 4.130 ( -2.851 3.194 6.608) 7.874 4.136 ( 1.442 0.152 4.132) 4.379 4.173 ( -2.114 1.939 -0.045) 2.869 4.227 ( 0.974 -4.747 5.113) 7.044 4.316 ( -1.015 0.708 1.006) 1.595 4.359 ( 0.869 -3.454 2.461) 4.329 4.401 ( 4.362 0.764 3.344) 5.549 4.408 ( -0.117 -4.128 3.938) 5.706 4.509 ( 0.562 -1.723 -0.616) 1.914 4.575 ( -3.865 -0.848 0.863) 4.050 4.586 ( -0.787 -6.036 0.210) 6.091 4.638 ( -0.543 -1.537 1.263) 2.062 4.780 ( -6.096 3.169 0.392) 6.881 4.859 ( -3.535 -3.733 -0.594) 5.175 4.966 ( -0.812 3.570 2.310) 4.329 5.039 ( -0.186 -3.836 1.095) 3.993 5.232 ( -0.381 2.834 -3.232) 4.315 5.266 ( 1.250 0.289 -4.624) 4.799 5.342 ( 1.626 2.351 -1.504) 3.230 5.345 ( 1.652 2.280 -0.596) 2.878 5.395 ( -2.018 1.138 0.559) 2.383 5.436 ( -3.305 -1.372 0.252) 3.587 5.520 ( -2.406 -1.136 -5.716) 6.305 5.536 ( -2.611 -1.983 -3.098) 4.510 5.663 ( 1.736 1.855 2.827) 3.801 5.729 ( 0.344 -4.625 2.292) 5.174 5.849 ( -2.982 0.857 1.054) 3.277 5.894 ( -1.777 -3.688 -1.191) 4.263 5.994 ( -1.531 0.917 0.227) 1.799 6.032 ( -2.232 -3.496 -0.178) 4.152 6.212 ( 2.849 -0.548 -0.825) 3.016 6.215 ( 1.357 -0.716 -2.582) 3.004 6.313 ( 0.101 -0.216 -1.659) 1.676 6.332 ( -1.598 -2.106 -1.866) 3.236 6.468 ( -2.250 2.022 1.438) 3.350 6.517 ( -1.174 -2.968 2.303) 3.936 6.749 ( -0.300 5.626 0.803) 5.691 6.833 ( 1.719 -1.764 1.750) 3.022 7.036 ( -4.443 2.437 -0.558) 5.098 7.111 ( -5.324 -3.779 -1.025) 6.609 7.316 ( -1.752 3.540 -0.558) 3.988 7.349 ( 0.107 -0.305 -0.173) 0.366 7.448 ( -0.269 0.087 0.641) 0.701 7.503 ( 0.553 -2.578 -2.286) 3.490 7.707 ( -1.518 2.369 0.882) 2.949 7.779 ( 0.813 -3.767 2.881) 4.811 7.863 ( -0.418 3.763 4.912) 6.201 7.933 ( -0.300 -2.636 -0.379) 2.680 8.155 ( 0.778 4.374 2.798) 5.250 8.253 ( 0.719 -5.499 -0.130) 5.548 8.375 ( -3.262 7.384 -0.293) 8.078 8.474 ( 0.331 4.191 -3.369) 5.388 8.502 ( -4.015 -3.376 0.010) 5.245 8.579 ( -1.288 -5.774 -3.666) 6.960 8.663 ( -4.961 8.490 0.469) 9.845 8.835 ( -2.729 -8.164 3.000) 9.116 8.982 ( -0.759 2.385 -0.284) 2.519 8.992 ( 3.067 0.455 -2.062) 3.724 9.045 ( -1.394 6.306 -3.230) 7.221 9.187 ( -0.983 -5.340 -3.009) 6.207 9.272 ( -0.788 3.258 0.807) 3.448 9.343 ( 4.509 -2.257 -0.747) 5.097 9.514 ( -0.212 3.666 0.735) 3.745 9.554 ( 0.780 -0.498 0.323) 0.980 9.635 ( 1.068 -0.854 -1.248) 1.852 9.683 ( 0.949 -6.488 -1.105) 6.649 9.961 ( 3.109 4.135 1.380) 5.355 10.026 ( 0.366 -1.464 0.546) 1.604 10.177 ( 1.319 0.572 -0.166) 1.447 10.202 ( 0.544 -3.126 -0.477) 3.208 10.381 ( 1.858 2.886 -1.021) 3.581 10.407 ( 1.453 0.646 -2.501) 2.964 10.558 ( -3.447 1.995 2.020) 4.466 10.669 ( -3.282 -7.585 -0.362) 8.272 10.763 ( 0.830 -2.176 -0.264) 2.344 10.794 ( -0.338 -5.400 -3.731) 6.572 11.087 ( -0.939 3.809 -3.301) 5.127 11.130 ( -1.451 -0.379 -3.809) 4.093 11.360 ( 3.248 4.008 2.171) 5.597 11.386 ( 2.735 1.321 4.749) 5.637 11.957 ( 0.084 0.043 1.413) 1.416 11.972 ( 0.865 -1.355 -0.559) 1.703 12.179 ( 3.217 1.331 3.175) 4.712 12.186 ( 1.068 0.028 4.467) 4.593 12.266 ( -2.761 -0.550 2.262) 3.611 12.331 ( -3.707 -2.280 3.153) 5.374 12.411 ( -3.209 -3.699 -1.447) 5.106 12.444 ( -0.171 -5.216 -0.322) 5.229 12.553 ( 2.364 3.505 5.422) 6.875 12.613 ( -1.542 -1.680 2.012) 3.041 12.718 ( -0.326 3.619 0.476) 3.665 12.766 ( 1.293 -3.077 0.888) 3.454 12.836 ( -2.671 3.044 -1.800) 4.432 12.934 ( -2.200 -6.304 -3.619) 7.594 13.054 ( -0.675 3.493 -0.210) 3.563 13.117 ( -2.745 2.257 0.676) 3.617 13.124 ( 1.807 -1.636 -1.729) 2.988 13.208 ( -1.120 -4.122 -2.082) 4.752 13.306 ( 4.207 2.872 -1.081) 5.207 13.394 ( 3.107 -5.412 0.329) 6.249 13.764 ( 4.676 3.151 -0.051) 5.639 13.806 ( 5.986 -1.408 -0.316) 6.158 13.895 ( -0.188 6.290 2.959) 6.953 13.934 ( -1.111 2.973 -3.918) 5.042 14.061 ( -4.464 0.478 2.293) 5.041 14.117 ( -5.360 -5.481 9.310) 12.060 14.208 ( -5.333 7.628 -4.381) 10.287 14.358 ( -3.596 -7.210 -2.197) 8.351 14.613 ( -2.604 4.287 -0.797) 5.079 14.699 ( -0.634 -3.812 -1.013) 3.995 14.848 ( 4.592 6.622 1.511) 8.199 14.946 ( 2.625 -4.269 0.244) 5.018 15.266 ( 2.594 9.192 -3.625) 10.216 15.335 ( 1.887 0.237 -0.058) 1.903 15.428 ( -1.450 2.165 0.555) 2.665 15.439 ( -1.742 2.095 -0.558) 2.781 15.556 ( -1.484 2.925 0.237) 3.289 15.582 ( -1.176 0.855 0.066) 1.455 15.864 ( 2.997 8.139 -0.884) 8.718 15.912 ( -2.592 3.323 -0.250) 4.222 15.974 ( 0.039 -2.698 -1.985) 3.350 16.036 ( -0.381 -8.370 -1.162) 8.459 16.391 ( 1.812 2.947 -1.722) 3.865 16.465 ( 1.270 -5.203 -1.582) 5.585 16.632 ( 0.358 5.405 4.711) 7.179 16.781 ( 1.123 -9.279 1.586) 9.480 16.940 ( 3.000 -1.175 -0.577) 3.273 16.959 ( 4.071 -2.772 -2.048) 5.334 19.222 ( 0.762 3.530 -0.043) 3.612 19.318 ( 0.158 -6.480 -0.003) 6.482 19.450 ( -1.020 4.740 0.755) 4.907 19.544 ( -1.610 -5.485 -0.768) 5.768 21.060 ( 0.496 3.133 -0.682) 3.245 21.099 ( 0.508 -0.885 -2.799) 2.980 21.195 ( 0.342 2.572 -0.058) 2.595 21.226 ( -1.391 -0.847 -0.061) 1.629 25.046 ( 0.386 1.065 1.016) 1.522 25.064 ( 0.372 -0.866 1.445) 1.726 25.465 ( 1.720 1.285 0.876) 2.319 25.512 ( 2.340 -3.823 2.137) 4.965 25.993 ( -0.314 2.878 -1.408) 3.220 26.023 ( -0.366 -0.198 -1.271) 1.337 26.198 ( -0.367 0.693 1.173) 1.411 26.201 ( -0.529 0.448 1.172) 1.362 26.781 ( -0.164 3.931 1.076) 4.079 26.870 ( -0.068 -5.738 3.228) 6.584 27.094 ( -0.085 0.845 1.413) 1.648 27.133 ( 2.443 -3.448 3.233) 5.321 27.279 ( 3.964 1.097 -0.396) 4.132 27.303 ( 3.920 -1.316 -1.538) 4.412 27.410 ( 1.261 1.395 -0.393) 1.921 27.442 ( -0.180 -1.975 -1.372) 2.411 27.686 ( -2.093 4.171 -1.777) 4.993 27.726 ( 1.258 0.581 0.346) 1.428 27.925 ( 3.503 3.431 1.659) 5.177 27.973 ( 2.295 -1.321 4.547) 5.262 28.158 ( -0.552 5.495 0.264) 5.529 28.268 ( -3.724 -5.433 0.398) 6.599 28.290 ( -2.281 4.631 -6.379) 8.206 28.375 ( 1.205 0.584 0.460) 1.416 28.426 ( 0.021 -1.070 -1.933) 2.210 28.443 ( -2.872 -5.449 -3.406) 7.038 28.554 ( -3.473 2.294 -0.983) 4.277 28.617 ( -3.262 -4.199 -2.580) 5.910 28.938 ( -4.366 4.018 2.690) 6.515 29.013 ( -3.046 -2.202 1.235) 3.956 29.366 ( -4.978 11.234 -1.250) 12.351 29.590 ( -2.580 -10.492 -3.639) 11.401 29.952 ( -1.056 2.506 3.503) 4.434 29.975 ( -0.790 1.172 4.562) 4.776 30.033 ( -0.353 1.780 -1.570) 2.400 30.137 ( -1.560 -8.495 -5.346) 10.158 30.486 ( 0.942 9.691 -0.955) 9.783 30.686 ( 2.960 -11.388 1.541) 11.866 31.449 ( 6.133 5.476 2.361) 8.554 31.544 ( 3.573 -4.786 0.872) 6.036 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 4.848 0.000) 4.848 1.687 ( 0.000 -7.364 0.000) 7.364 1.779 ( 0.000 7.479 0.000) 7.479 1.890 ( 0.000 6.124 0.000) 6.124 1.929 ( -0.000 -7.121 0.000) 7.121 1.933 ( 0.000 1.386 0.000) 1.386 2.219 ( 0.000 6.735 0.000) 6.735 2.308 ( 0.000 -0.948 0.000) 0.948 2.483 ( 0.000 -0.094 -0.000) 0.094 2.511 ( -0.000 -5.405 0.000) 5.405 2.654 ( -0.000 0.913 -0.000) 0.913 2.664 ( 0.000 -1.475 -0.000) 1.475 2.721 ( 0.000 -2.907 0.000) 2.907 2.761 ( 0.000 -7.306 0.000) 7.306 2.940 ( 0.000 3.072 0.000) 3.072 2.979 ( 0.000 -0.936 -0.000) 0.936 3.178 ( 0.000 3.790 0.000) 3.790 3.207 ( 0.000 4.987 0.000) 4.987 3.266 ( -0.000 3.417 -0.000) 3.417 3.267 ( 0.000 -3.826 0.000) 3.826 3.471 ( 0.000 5.926 0.000) 5.926 3.554 ( 0.000 -2.725 0.000) 2.725 3.709 ( 0.000 11.965 0.000) 11.965 3.785 ( 0.000 3.597 0.000) 3.597 3.842 ( 0.000 -4.786 -0.000) 4.786 3.935 ( 0.000 -7.033 0.000) 7.033 4.019 ( -0.000 11.261 0.000) 11.261 4.085 ( 0.000 9.665 0.000) 9.665 4.118 ( 0.000 2.470 0.000) 2.470 4.136 ( 0.000 6.204 0.000) 6.204 4.243 ( 0.000 1.937 -0.000) 1.937 4.262 ( -0.000 2.563 -0.000) 2.563 4.294 ( 0.000 -4.055 0.000) 4.055 4.338 ( 0.000 -6.846 -0.000) 6.846 4.423 ( 0.000 -11.894 0.000) 11.894 4.463 ( -0.000 -13.630 -0.000) 13.630 4.518 ( 0.000 4.249 -0.000) 4.249 4.598 ( 0.000 -3.200 0.000) 3.200 4.626 ( 0.000 -1.638 -0.000) 1.638 4.648 ( 0.000 1.892 0.000) 1.892 4.668 ( 0.000 5.030 0.000) 5.030 4.807 ( 0.000 -6.294 -0.000) 6.294 4.980 ( 0.000 3.252 0.000) 3.252 5.043 ( 0.000 -3.009 -0.000) 3.009 5.224 ( 0.000 0.848 0.000) 0.848 5.237 ( 0.000 1.413 -0.000) 1.413 5.341 ( 0.000 7.000 -0.000) 7.000 5.362 ( -0.000 0.051 0.000) 0.051 5.383 ( 0.000 0.175 -0.000) 0.175 5.404 ( 0.000 -0.377 -0.000) 0.377 5.468 ( 0.000 -1.559 0.000) 1.559 5.499 ( 0.000 -4.148 0.000) 4.148 5.694 ( 0.000 2.250 0.000) 2.250 5.746 ( 0.000 -3.790 -0.000) 3.790 5.852 ( 0.000 0.792 0.000) 0.792 5.858 ( 0.000 -0.575 -0.000) 0.575 5.986 ( 0.000 -2.310 0.000) 2.310 5.996 ( 0.000 -2.597 0.000) 2.597 6.215 ( 0.000 -0.549 0.000) 0.549 6.233 ( 0.000 -2.358 -0.000) 2.358 6.307 ( 0.000 -1.064 0.000) 1.064 6.309 ( 0.000 -0.947 0.000) 0.947 6.449 ( 0.000 2.269 0.000) 2.269 6.512 ( 0.000 -4.438 0.000) 4.438 6.759 ( 0.000 8.738 0.000) 8.738 6.908 ( 0.000 -6.550 -0.000) 6.550 6.935 ( 0.000 6.950 0.000) 6.950 7.053 ( 0.000 -5.527 -0.000) 5.527 7.296 ( 0.000 4.671 0.000) 4.671 7.352 ( 0.000 -1.872 0.000) 1.872 7.448 ( 0.000 -0.501 0.000) 0.501 7.500 ( 0.000 -5.166 -0.000) 5.166 7.698 ( 0.000 5.880 0.000) 5.880 7.805 ( 0.000 -4.415 0.000) 4.415 7.887 ( 0.000 2.513 -0.000) 2.513 7.922 ( 0.000 -0.941 0.000) 0.941 8.185 ( 0.000 5.337 0.000) 5.337 8.284 ( 0.000 -4.949 0.000) 4.949 8.332 ( 0.000 6.109 0.000) 6.109 8.446 ( 0.000 -1.630 0.000) 1.630 8.463 ( 0.000 -0.818 0.000) 0.818 8.536 ( 0.000 -2.904 0.000) 2.904 8.623 ( 0.000 10.950 0.000) 10.950 8.830 ( 0.000 -9.089 -0.000) 9.089 8.965 ( 0.000 6.826 0.000) 6.826 9.018 ( -0.000 0.534 0.000) 0.534 9.020 ( 0.000 2.174 -0.000) 2.174 9.152 ( 0.000 -11.472 0.000) 11.472 9.275 ( 0.000 8.368 0.000) 8.368 9.386 ( 0.000 -2.807 -0.000) 2.807 9.515 ( 0.000 2.725 0.000) 2.725 9.550 ( 0.000 -1.892 0.000) 1.892 9.636 ( 0.000 1.546 0.000) 1.546 9.691 ( 0.000 -5.128 0.000) 5.128 10.017 ( -0.000 2.028 -0.000) 2.028 10.019 ( 0.000 2.129 0.000) 2.129 10.189 ( 0.000 -0.981 0.000) 0.981 10.206 ( 0.000 -1.992 0.000) 1.992 10.392 ( 0.000 3.702 0.000) 3.702 10.399 ( 0.000 1.269 -0.000) 1.269 10.533 ( 0.000 -0.319 0.000) 0.319 10.627 ( 0.000 -7.649 0.000) 7.649 10.770 ( 0.000 -4.053 0.000) 4.053 10.776 ( 0.000 -3.726 -0.000) 3.726 11.063 ( 0.000 3.355 0.000) 3.355 11.100 ( 0.000 -0.290 0.000) 0.290 11.401 ( 0.000 4.701 0.000) 4.701 11.434 ( 0.000 1.643 0.000) 1.643 11.968 ( 0.000 0.142 0.000) 0.142 11.983 ( 0.000 -1.719 0.000) 1.719 12.200 ( 0.000 6.791 0.000) 6.791 12.241 ( 0.000 -0.550 -0.000) 0.550 12.262 ( 0.000 -4.725 0.000) 4.725 12.335 ( 0.000 1.378 0.000) 1.378 12.357 ( 0.000 -8.925 0.000) 8.925 12.436 ( 0.000 -8.291 0.000) 8.291 12.600 ( 0.000 1.870 -0.000) 1.870 12.608 ( 0.000 0.245 -0.000) 0.245 12.723 ( 0.000 7.776 0.000) 7.776 12.788 ( 0.000 -1.160 0.000) 1.160 12.797 ( 0.000 -2.633 0.000) 2.633 12.897 ( 0.000 -8.874 0.000) 8.874 13.053 ( 0.000 7.013 -0.000) 7.013 13.094 ( 0.000 3.495 -0.000) 3.495 13.129 ( 0.000 -1.425 0.000) 1.425 13.184 ( 0.000 -5.065 0.000) 5.065 13.343 ( 0.000 2.153 0.000) 2.153 13.423 ( 0.000 -5.624 0.000) 5.624 13.826 ( 0.000 2.336 -0.000) 2.336 13.852 ( 0.000 2.279 0.000) 2.279 13.874 ( 0.000 1.633 0.000) 1.633 13.893 ( 0.000 2.497 -0.000) 2.497 14.027 ( 0.000 7.590 -0.000) 7.590 14.141 ( 0.000 7.935 -0.000) 7.935 14.144 ( -0.000 -6.659 0.000) 6.659 14.314 ( 0.000 -9.451 0.000) 9.451 14.580 ( 0.000 4.335 0.000) 4.335 14.682 ( 0.000 -4.639 -0.000) 4.639 14.902 ( 0.000 5.465 -0.000) 5.465 14.974 ( 0.000 -2.704 0.000) 2.704 15.275 ( 0.000 11.138 0.000) 11.138 15.370 ( 0.000 -0.769 0.000) 0.769 15.391 ( 0.000 3.507 0.000) 3.507 15.431 ( 0.000 -0.684 0.000) 0.684 15.545 ( 0.000 2.843 0.000) 2.843 15.573 ( 0.000 1.391 -0.000) 1.391 15.884 ( 0.000 5.788 0.000) 5.788 15.890 ( 0.000 5.394 -0.000) 5.394 15.961 ( 0.000 -3.505 0.000) 3.505 16.027 ( 0.000 -6.814 0.000) 6.814 16.392 ( 0.000 1.520 0.000) 1.520 16.468 ( 0.000 -6.791 -0.000) 6.791 16.667 ( 0.000 6.476 0.000) 6.476 16.801 ( 0.000 -7.100 0.000) 7.100 16.967 ( 0.000 -2.336 0.000) 2.336 16.981 ( 0.000 -3.051 -0.000) 3.051 19.229 ( 0.000 3.305 0.000) 3.305 19.318 ( 0.000 -6.222 0.000) 6.222 19.446 ( 0.000 3.927 -0.000) 3.927 19.525 ( 0.000 -4.683 0.000) 4.683 21.056 ( 0.000 2.641 0.000) 2.641 21.091 ( 0.000 -0.945 -0.000) 0.945 21.195 ( 0.000 2.460 0.000) 2.460 21.215 ( 0.000 0.066 0.000) 0.066 25.054 ( 0.000 1.147 0.000) 1.147 25.074 ( 0.000 -0.982 0.000) 0.982 25.486 ( 0.000 1.867 0.000) 1.867 25.544 ( 0.000 -4.599 0.000) 4.599 25.984 ( 0.000 2.848 0.000) 2.848 26.015 ( 0.000 -0.269 0.000) 0.269 26.200 ( 0.000 0.573 -0.000) 0.573 26.201 ( -0.000 0.542 0.000) 0.542 26.783 ( 0.000 4.783 0.000) 4.783 26.884 ( 0.000 -6.097 0.000) 6.097 27.103 ( 0.000 2.496 0.000) 2.496 27.177 ( 0.000 -5.679 0.000) 5.679 27.311 ( 0.000 0.850 0.000) 0.850 27.331 ( 0.000 -1.350 -0.000) 1.350 27.419 ( 0.000 0.776 0.000) 0.776 27.432 ( 0.000 -0.720 -0.000) 0.720 27.663 ( 0.000 4.851 0.000) 4.851 27.738 ( 0.000 -3.419 -0.000) 3.419 28.009 ( 0.000 7.575 0.000) 7.575 28.059 ( -0.000 5.427 -0.000) 5.427 28.083 ( 0.000 -2.834 0.000) 2.834 28.199 ( 0.000 -8.444 -0.000) 8.444 28.228 ( 0.000 8.990 0.000) 8.990 28.384 ( 0.000 -6.515 -0.000) 6.515 28.409 ( 0.000 2.849 0.000) 2.849 28.463 ( 0.000 -3.363 0.000) 3.363 28.500 ( 0.000 2.978 0.000) 2.978 28.568 ( 0.000 -4.404 0.000) 4.404 28.910 ( 0.000 5.533 0.000) 5.533 28.993 ( 0.000 -0.867 0.000) 0.867 29.315 ( 0.000 9.655 0.000) 9.655 29.544 ( 0.000 -12.074 0.000) 12.074 29.961 ( 0.000 2.930 0.000) 2.930 30.007 ( -0.000 2.342 0.000) 2.342 30.009 ( 0.000 -2.217 -0.000) 2.217 30.087 ( 0.000 -6.890 0.000) 6.890 30.495 ( 0.000 12.044 -0.000) 12.044 30.724 ( 0.000 -12.501 0.000) 12.501 31.518 ( 0.000 3.683 0.000) 3.683 31.576 ( 0.000 -2.572 0.000) 2.572 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -10.037 0.000 28.534) 30.248 0.735 ( -8.213 0.000 36.512) 37.425 1.183 ( 6.799 0.000 57.979) 58.376 1.925 ( 8.351 0.000 12.577) 15.097 1.969 ( 11.638 0.000 -16.772) 20.414 2.221 ( 7.396 0.000 -1.003) 7.464 2.360 ( 8.082 0.000 -7.304) 10.893 2.375 ( -0.753 0.000 -0.053) 0.755 2.466 ( 1.241 0.000 -3.156) 3.391 2.483 ( -2.774 0.000 9.622) 10.014 2.566 ( -1.658 0.000 -6.119) 6.339 2.661 ( 5.076 0.000 -3.851) 6.372 2.715 ( -0.024 0.000 1.154) 1.154 2.794 ( 2.897 0.000 1.662) 3.340 2.864 ( -2.615 0.000 4.503) 5.207 2.968 ( -4.767 0.000 0.579) 4.802 3.020 ( -2.372 0.000 -4.136) 4.768 3.070 ( 4.055 0.000 4.889) 6.352 3.152 ( 2.016 0.000 1.216) 2.354 3.239 ( -9.560 0.000 -0.288) 9.565 3.317 ( 4.883 0.000 1.726) 5.179 3.328 ( 0.952 0.000 -5.980) 6.056 3.500 ( -1.337 0.000 5.697) 5.852 3.619 ( 6.369 0.000 3.751) 7.391 3.686 ( 2.926 0.000 -3.057) 4.232 3.819 ( 3.443 0.000 -4.890) 5.981 3.889 ( -1.411 0.000 5.250) 5.436 3.939 ( -4.708 0.000 -5.093) 6.936 4.007 ( -2.170 0.000 0.781) 2.306 4.126 ( -2.093 0.000 0.599) 2.177 4.142 ( -5.408 0.000 4.182) 6.836 4.240 ( -4.836 0.000 -3.603) 6.030 4.339 ( 4.581 0.000 -3.937) 6.040 4.361 ( -1.798 0.000 1.293) 2.215 4.449 ( -2.200 0.000 -2.798) 3.559 4.555 ( -0.647 0.000 -0.602) 0.884 4.639 ( 6.059 0.000 -3.126) 6.818 4.671 ( -3.649 0.000 -3.876) 5.323 4.729 ( 2.705 0.000 5.696) 6.305 4.772 ( 1.941 0.000 -0.135) 1.945 4.810 ( 1.403 0.000 2.757) 3.093 5.003 ( -0.490 0.000 5.019) 5.043 5.102 ( 2.930 0.000 -6.244) 6.898 5.125 ( 0.813 0.000 -4.343) 4.418 5.205 ( -4.366 0.000 -6.859) 8.130 5.264 ( -4.722 0.000 -4.126) 6.270 5.302 ( -4.687 0.000 -5.770) 7.434 5.432 ( -2.233 0.000 -1.504) 2.692 5.436 ( 3.611 0.000 -2.315) 4.290 5.524 ( -3.357 0.000 0.980) 3.497 5.664 ( -2.347 0.000 -1.587) 2.833 5.691 ( -5.806 0.000 -2.216) 6.215 5.842 ( 2.577 0.000 -6.315) 6.820 5.868 ( 0.272 0.000 2.079) 2.097 5.916 ( 1.629 0.000 1.156) 1.998 6.031 ( -0.533 0.000 -3.484) 3.524 6.103 ( -1.971 0.000 -2.328) 3.050 6.131 ( 2.024 0.000 -5.596) 5.951 6.181 ( -0.299 0.000 2.442) 2.460 6.256 ( 6.627 0.000 0.519) 6.647 6.318 ( -1.813 0.000 2.960) 3.471 6.352 ( 2.365 0.000 1.520) 2.811 6.518 ( 1.795 0.000 0.294) 1.819 6.581 ( -1.422 0.000 0.814) 1.638 6.763 ( 4.704 0.000 6.898) 8.349 6.898 ( -1.231 0.000 9.570) 9.649 6.976 ( 3.213 0.000 1.212) 3.434 7.107 ( -3.189 0.000 1.801) 3.662 7.206 ( -3.693 0.000 -0.831) 3.785 7.274 ( 0.884 0.000 -1.516) 1.755 7.399 ( 9.104 0.000 0.406) 9.113 7.471 ( -2.171 0.000 -0.002) 2.171 7.699 ( -0.025 0.000 3.309) 3.309 7.700 ( 1.180 0.000 2.463) 2.731 7.830 ( 1.923 0.000 1.676) 2.551 7.968 ( -1.731 0.000 -3.196) 3.635 8.428 ( 0.830 0.000 -2.853) 2.971 8.454 ( 26.314 0.000 -4.984) 26.782 8.496 ( 4.489 0.000 -5.357) 6.989 8.501 ( -2.584 0.000 -0.559) 2.644 8.527 ( -0.935 0.000 4.112) 4.217 8.798 ( -6.495 0.000 -0.594) 6.522 8.814 ( -8.520 0.000 1.301) 8.618 8.815 ( 1.614 0.000 -0.392) 1.661 9.004 ( 0.791 0.000 -0.335) 0.859 9.032 ( -0.229 0.000 -0.703) 0.739 9.129 ( 3.177 0.000 -2.218) 3.875 9.179 ( 3.775 0.000 -2.954) 4.793 9.261 ( -4.947 0.000 2.676) 5.625 9.364 ( -3.658 0.000 -2.313) 4.328 9.368 ( -7.423 0.000 1.439) 7.561 9.473 ( -4.815 0.000 4.544) 6.621 9.559 ( 6.014 0.000 -2.098) 6.370 9.680 ( -4.706 0.000 5.556) 7.281 9.923 ( -0.028 0.000 -1.508) 1.508 10.059 ( 3.364 0.000 -4.684) 5.767 10.081 ( 6.262 0.000 -5.886) 8.594 10.251 ( -2.253 0.000 -2.699) 3.516 10.332 ( -4.788 0.000 6.461) 8.041 10.367 ( -2.120 0.000 1.216) 2.444 10.725 ( 7.227 0.000 5.080) 8.834 10.781 ( 0.490 0.000 -1.168) 1.267 10.892 ( 2.318 0.000 3.446) 4.154 10.943 ( -2.858 0.000 1.300) 3.139 11.055 ( 4.152 0.000 4.655) 6.238 11.161 ( 3.109 0.000 -10.124) 10.591 11.330 ( -2.646 0.000 -6.366) 6.894 11.408 ( -1.891 0.000 -2.383) 3.042 11.956 ( 1.155 0.000 2.192) 2.478 12.081 ( -9.816 0.000 -3.462) 10.408 12.144 ( -0.703 0.000 3.723) 3.789 12.262 ( -0.051 0.000 2.089) 2.089 12.269 ( 0.968 0.000 4.193) 4.303 12.292 ( 0.492 0.000 3.798) 3.830 12.330 ( -0.116 0.000 2.449) 2.452 12.402 ( -1.710 0.000 -0.671) 1.837 12.453 ( 1.741 0.000 -1.903) 2.579 12.664 ( 1.724 0.000 2.814) 3.300 12.789 ( -2.622 0.000 1.785) 3.172 12.828 ( 0.106 0.000 -5.709) 5.710 12.982 ( -0.215 0.000 -4.889) 4.893 13.016 ( 6.009 0.000 -0.281) 6.016 13.087 ( 0.868 0.000 -1.554) 1.780 13.122 ( -7.178 0.000 4.442) 8.441 13.192 ( -1.279 0.000 2.077) 2.439 13.213 ( -0.139 0.000 2.782) 2.785 13.325 ( -1.672 0.000 -0.362) 1.711 13.517 ( 17.853 0.000 3.492) 18.191 13.564 ( 1.763 0.000 2.164) 2.791 13.646 ( 4.291 0.000 -0.335) 4.305 13.720 ( -1.813 0.000 -1.129) 2.136 13.984 ( 5.628 0.000 5.559) 7.911 14.045 ( 0.726 0.000 -8.195) 8.227 14.193 ( -5.684 0.000 -1.104) 5.790 14.232 ( -2.500 0.000 1.337) 2.835 14.349 ( 1.683 0.000 2.456) 2.977 14.560 ( 0.295 0.000 -5.719) 5.726 14.573 ( -1.397 0.000 -5.434) 5.611 14.826 ( -16.391 0.000 4.143) 16.906 14.852 ( 3.061 0.000 2.828) 4.168 15.076 ( 0.987 0.000 0.719) 1.221 15.268 ( -1.395 0.000 -0.030) 1.396 15.360 ( 0.071 0.000 -1.905) 1.907 15.467 ( -3.791 0.000 -7.301) 8.226 15.492 ( -0.734 0.000 3.413) 3.491 15.588 ( 0.387 0.000 0.170) 0.423 15.962 ( -34.304 0.000 3.103) 34.444 16.005 ( -1.758 0.000 4.526) 4.856 16.144 ( -2.583 0.000 -2.959) 3.928 16.169 ( -0.461 0.000 3.414) 3.445 16.342 ( 3.809 0.000 -4.052) 5.561 16.470 ( 6.240 0.000 -0.968) 6.314 16.559 ( -10.615 0.000 -4.394) 11.488 16.686 ( 3.196 0.000 -3.194) 4.518 16.750 ( -1.662 0.000 1.682) 2.364 16.762 ( -1.643 0.000 1.659) 2.335 19.107 ( -3.062 0.000 0.674) 3.135 19.250 ( 1.186 0.000 -3.366) 3.569 19.560 ( 0.262 0.000 2.745) 2.757 19.763 ( -0.649 0.000 -1.680) 1.801 20.855 ( -0.258 0.000 2.186) 2.201 21.008 ( -0.602 0.000 -1.576) 1.687 21.256 ( -0.454 0.000 2.026) 2.077 21.444 ( 5.340 0.000 -2.163) 5.761 25.004 ( -0.924 0.000 1.311) 1.604 25.247 ( -6.446 0.000 -6.013) 8.816 25.345 ( 2.548 0.000 6.142) 6.649 25.468 ( -10.254 0.000 3.683) 10.896 25.948 ( -1.375 0.000 -3.794) 4.036 26.032 ( -1.578 0.000 -5.036) 5.278 26.140 ( 0.875 0.000 3.815) 3.914 26.201 ( -1.001 0.000 2.606) 2.791 26.626 ( 24.130 0.000 3.111) 24.329 26.673 ( 1.753 0.000 4.267) 4.614 26.977 ( 0.430 0.000 4.430) 4.451 27.103 ( -5.493 0.000 -1.830) 5.790 27.113 ( -1.543 0.000 -1.475) 2.134 27.306 ( -0.798 0.000 -2.217) 2.356 27.491 ( -1.677 0.000 -1.384) 2.175 27.498 ( -7.622 0.000 -0.110) 7.623 27.519 ( 1.153 0.000 -1.483) 1.879 27.603 ( -1.228 0.000 -4.025) 4.208 27.860 ( 4.100 0.000 3.240) 5.226 28.142 ( -2.656 0.000 -0.397) 2.686 28.154 ( -2.579 0.000 -5.261) 5.859 28.182 ( -0.266 0.000 -2.258) 2.274 28.313 ( 0.227 0.000 3.575) 3.582 28.470 ( 15.034 0.000 -1.836) 15.145 28.554 ( 3.533 0.000 0.256) 3.542 28.621 ( -1.059 0.000 -0.130) 1.067 28.879 ( 1.657 0.000 5.454) 5.700 29.049 ( -4.558 0.000 2.339) 5.123 29.148 ( -29.363 0.000 2.417) 29.462 29.346 ( 2.005 0.000 -2.598) 3.282 29.452 ( 5.843 0.000 -2.275) 6.270 29.518 ( -0.370 0.000 -3.995) 4.012 29.782 ( -7.097 0.000 3.020) 7.713 29.910 ( 28.577 0.000 -0.243) 28.578 29.994 ( -1.867 0.000 7.371) 7.604 30.334 ( 1.397 0.000 -1.908) 2.365 30.692 ( 4.089 0.000 -1.636) 4.404 30.737 ( -5.867 0.000 -1.668) 6.100 30.985 ( -2.083 0.000 0.269) 2.100 31.115 ( 18.203 0.000 -1.835) 18.295 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 7.055 0.000 20.322) 21.511 0.923 ( 0.657 0.000 28.320) 28.327 1.973 ( 14.549 0.000 -12.330) 19.071 2.134 ( 24.502 0.000 33.416) 41.436 2.141 ( 4.710 0.000 -5.815) 7.483 2.306 ( -5.283 0.000 -14.648) 15.571 2.314 ( -2.164 0.000 -0.785) 2.302 2.393 ( 8.332 0.000 -2.808) 8.792 2.470 ( -4.084 0.000 -3.843) 5.608 2.480 ( 2.101 0.000 5.154) 5.565 2.514 ( -3.110 0.000 5.038) 5.920 2.734 ( 0.620 0.000 5.334) 5.370 2.757 ( 6.813 0.000 3.952) 7.877 2.826 ( -5.026 0.000 -3.056) 5.882 2.847 ( 0.331 0.000 0.283) 0.436 2.929 ( -3.298 0.000 3.924) 5.126 2.949 ( -1.511 0.000 -0.643) 1.642 3.019 ( -3.444 0.000 -5.442) 6.441 3.157 ( 0.399 0.000 1.789) 1.833 3.223 ( -0.508 0.000 2.634) 2.682 3.269 ( 2.871 0.000 -10.174) 10.572 3.351 ( -0.981 0.000 2.487) 2.674 3.554 ( -0.807 0.000 10.262) 10.294 3.691 ( -0.227 0.000 -1.944) 1.957 3.759 ( -3.722 0.000 -7.395) 8.279 3.773 ( 5.406 0.000 -3.198) 6.280 3.957 ( 0.158 0.000 9.006) 9.008 3.961 ( 2.282 0.000 -2.761) 3.582 3.985 ( 10.177 0.000 10.919) 14.926 4.006 ( -3.770 0.000 -9.374) 10.104 4.092 ( -2.738 0.000 3.148) 4.172 4.166 ( -3.356 0.000 -6.603) 7.407 4.323 ( 2.593 0.000 -4.898) 5.542 4.328 ( -2.470 0.000 -0.433) 2.508 4.477 ( 1.908 0.000 6.009) 6.304 4.528 ( -1.227 0.000 -2.076) 2.411 4.568 ( -2.305 0.000 -2.694) 3.546 4.687 ( -0.546 0.000 5.365) 5.392 4.799 ( -3.694 0.000 -1.090) 3.851 4.837 ( 2.500 0.000 3.663) 4.435 4.857 ( 2.086 0.000 3.316) 3.918 5.017 ( -3.015 0.000 4.185) 5.158 5.035 ( -3.308 0.000 -5.691) 6.582 5.073 ( -1.089 0.000 -7.893) 7.968 5.100 ( 0.094 0.000 -3.963) 3.964 5.152 ( 2.279 0.000 -7.052) 7.411 5.208 ( -2.317 0.000 1.445) 2.731 5.362 ( -1.968 0.000 -4.600) 5.004 5.405 ( -2.909 0.000 -3.565) 4.601 5.518 ( 3.168 0.000 -2.223) 3.870 5.592 ( -3.566 0.000 0.519) 3.603 5.658 ( -1.770 0.000 3.553) 3.969 5.852 ( 2.505 0.000 -3.444) 4.259 5.865 ( -2.858 0.000 -0.140) 2.861 5.928 ( -0.213 0.000 -0.761) 0.790 5.960 ( -4.858 0.000 -0.141) 4.860 6.069 ( 3.239 0.000 -5.724) 6.577 6.092 ( -0.237 0.000 -2.819) 2.829 6.218 ( 0.891 0.000 2.554) 2.705 6.275 ( -0.870 0.000 -3.527) 3.632 6.337 ( 0.993 0.000 1.527) 1.821 6.374 ( -0.761 0.000 4.429) 4.494 6.561 ( 1.910 0.000 1.607) 2.496 6.579 ( -1.357 0.000 0.392) 1.412 6.795 ( -3.969 0.000 4.565) 6.049 6.969 ( -8.366 0.000 -0.275) 8.371 7.057 ( 0.262 0.000 3.185) 3.196 7.083 ( 6.077 0.000 4.568) 7.603 7.145 ( -0.995 0.000 -1.110) 1.491 7.266 ( 0.809 0.000 -3.866) 3.950 7.448 ( -0.331 0.000 -1.595) 1.629 7.528 ( 7.124 0.000 -1.018) 7.197 7.726 ( 0.014 0.000 3.121) 3.121 7.734 ( -2.193 0.000 5.451) 5.876 7.881 ( -2.281 0.000 -4.112) 4.702 7.895 ( 2.477 0.000 2.043) 3.211 8.371 ( -8.256 0.000 -1.674) 8.424 8.406 ( 2.087 0.000 -5.100) 5.511 8.519 ( -2.873 0.000 3.360) 4.421 8.530 ( -0.997 0.000 -0.061) 0.999 8.540 ( -9.758 0.000 -2.020) 9.965 8.648 ( -6.096 0.000 -3.245) 6.906 8.771 ( 7.071 0.000 -1.124) 7.160 8.822 ( 0.982 0.000 -1.832) 2.078 8.965 ( -3.914 0.000 -2.276) 4.527 9.013 ( -1.361 0.000 0.588) 1.483 9.140 ( -0.027 0.000 -0.020) 0.034 9.147 ( -4.684 0.000 -2.708) 5.410 9.222 ( -1.414 0.000 1.949) 2.407 9.292 ( -1.317 0.000 -0.246) 1.339 9.465 ( 7.251 0.000 3.612) 8.101 9.524 ( 2.684 0.000 3.424) 4.350 9.649 ( 4.480 0.000 -2.440) 5.102 9.679 ( 1.227 0.000 1.963) 2.315 9.919 ( 1.757 0.000 -1.230) 2.145 10.060 ( 1.036 0.000 -2.932) 3.110 10.112 ( 5.059 0.000 -6.578) 8.298 10.184 ( -1.867 0.000 -3.337) 3.824 10.305 ( -5.433 0.000 4.574) 7.103 10.366 ( 0.204 0.000 1.395) 1.410 10.777 ( -3.634 0.000 4.745) 5.977 10.779 ( 0.847 0.000 -1.826) 2.013 10.917 ( -0.459 0.000 1.787) 1.845 10.981 ( 2.426 0.000 5.297) 5.826 11.081 ( -1.020 0.000 -11.500) 11.546 11.183 ( -4.559 0.000 -7.004) 8.357 11.200 ( 4.894 0.000 6.983) 8.527 11.295 ( -8.597 0.000 -3.135) 9.151 11.947 ( -2.991 0.000 3.627) 4.701 12.025 ( 3.125 0.000 3.385) 4.607 12.122 ( -3.550 0.000 1.583) 3.888 12.231 ( -4.725 0.000 1.222) 4.881 12.327 ( -0.370 0.000 1.378) 1.427 12.343 ( -0.252 0.000 0.718) 0.761 12.379 ( 2.476 0.000 4.241) 4.911 12.396 ( 5.710 0.000 5.261) 7.764 12.510 ( 3.296 0.000 -2.253) 3.992 12.713 ( -1.362 0.000 7.548) 7.670 12.768 ( -0.018 0.000 1.472) 1.472 12.768 ( 1.072 0.000 -6.543) 6.631 12.975 ( 4.706 0.000 -5.283) 7.075 13.001 ( -6.544 0.000 -0.582) 6.570 13.022 ( -6.678 0.000 4.920) 8.295 13.133 ( 3.990 0.000 0.799) 4.069 13.207 ( -3.347 0.000 2.218) 4.015 13.241 ( 3.652 0.000 -0.284) 3.663 13.322 ( 2.205 0.000 0.286) 2.223 13.571 ( -5.629 0.000 -2.589) 6.196 13.636 ( 1.631 0.000 -1.257) 2.059 13.643 ( -1.920 0.000 0.334) 1.949 13.738 ( 4.751 0.000 0.455) 4.773 13.870 ( -7.877 0.000 -0.641) 7.903 14.173 ( 7.308 0.000 1.007) 7.377 14.234 ( 0.435 0.000 -3.863) 3.887 14.303 ( 6.168 0.000 0.544) 6.192 14.427 ( 6.226 0.000 -5.904) 8.580 14.463 ( 1.357 0.000 -1.033) 1.705 14.470 ( -3.411 0.000 -4.525) 5.667 14.711 ( -4.612 0.000 4.919) 6.743 14.882 ( -2.833 0.000 2.677) 3.898 15.123 ( 1.269 0.000 4.452) 4.630 15.183 ( -4.435 0.000 -5.472) 7.043 15.346 ( 0.625 0.000 -1.691) 1.803 15.383 ( -0.150 0.000 -1.779) 1.786 15.514 ( 0.066 0.000 2.437) 2.438 15.576 ( -2.348 0.000 -0.035) 2.348 15.714 ( -8.074 0.000 9.544) 12.501 15.994 ( -3.870 0.000 2.842) 4.802 16.052 ( -3.242 0.000 -3.735) 4.946 16.168 ( 0.752 0.000 3.089) 3.180 16.419 ( -5.616 0.000 -1.438) 5.797 16.453 ( 5.513 0.000 2.191) 5.933 16.557 ( 5.389 0.000 0.500) 5.412 16.764 ( 8.471 0.000 -4.497) 9.591 16.810 ( 6.129 0.000 -0.686) 6.167 16.840 ( 6.115 0.000 0.751) 6.161 19.143 ( 3.702 0.000 -2.488) 4.461 19.245 ( 1.873 0.000 -1.682) 2.518 19.583 ( -1.458 0.000 3.640) 3.921 19.722 ( -1.333 0.000 -3.035) 3.315 20.896 ( 2.098 0.000 2.691) 3.412 21.002 ( 1.704 0.000 -2.351) 2.903 21.244 ( -3.193 0.000 1.720) 3.627 21.396 ( -4.988 0.000 -1.500) 5.209 25.012 ( -0.227 0.000 2.182) 2.194 25.113 ( -3.984 0.000 0.864) 4.077 25.434 ( -0.333 0.000 1.805) 1.835 25.489 ( 5.425 0.000 7.791) 9.493 25.905 ( -0.440 0.000 -1.740) 1.795 25.977 ( 0.028 0.000 -4.139) 4.139 26.182 ( 0.214 0.000 2.564) 2.573 26.207 ( -1.083 0.000 1.405) 1.774 26.729 ( 0.517 0.000 -1.260) 1.362 26.920 ( 10.339 0.000 -4.445) 11.254 27.025 ( 0.962 0.000 7.832) 7.891 27.080 ( 4.138 0.000 -0.274) 4.147 27.095 ( 3.031 0.000 -2.272) 3.788 27.295 ( 1.873 0.000 -0.983) 2.116 27.382 ( -6.559 0.000 3.794) 7.577 27.484 ( 0.249 0.000 0.302) 0.391 27.534 ( -0.370 0.000 -3.521) 3.540 27.551 ( 1.452 0.000 -1.060) 1.798 27.944 ( 1.191 0.000 4.396) 4.554 28.024 ( -4.730 0.000 -7.729) 9.062 28.078 ( -3.446 0.000 -0.882) 3.557 28.189 ( 2.246 0.000 -0.295) 2.265 28.326 ( -1.305 0.000 0.478) 1.389 28.495 ( -2.173 0.000 -1.724) 2.773 28.593 ( -3.661 0.000 0.523) 3.698 28.611 ( 1.550 0.000 1.881) 2.437 28.805 ( -9.204 0.000 7.681) 11.988 28.938 ( -8.714 0.000 -0.384) 8.723 29.031 ( -2.346 0.000 5.802) 6.258 29.242 ( -13.061 0.000 -1.903) 13.199 29.451 ( -3.282 0.000 -3.597) 4.869 29.528 ( 5.131 0.000 -3.429) 6.171 29.745 ( 3.138 0.000 3.164) 4.456 29.983 ( -4.932 0.000 3.702) 6.167 30.090 ( 1.757 0.000 2.838) 3.338 30.389 ( 4.975 0.000 -3.173) 5.900 30.579 ( -7.523 0.000 -5.274) 9.188 30.859 ( 14.565 0.000 0.045) 14.565 30.922 ( -4.121 0.000 1.262) 4.310 31.404 ( 17.178 0.000 -11.377) 20.604 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 10.854 0.000 9.625) 14.507 1.277 ( 12.934 0.000 14.587) 19.495 1.845 ( -11.204 0.000 -29.725) 31.767 2.000 ( 7.513 0.000 -15.294) 17.040 2.055 ( -4.177 0.000 -13.083) 13.734 2.188 ( -4.725 0.000 -5.235) 7.052 2.266 ( -14.786 0.000 -1.870) 14.904 2.313 ( -5.471 0.000 -9.022) 10.551 2.487 ( 6.159 0.000 -6.064) 8.643 2.598 ( -0.828 0.000 4.175) 4.256 2.676 ( -3.540 0.000 -3.678) 5.105 2.768 ( 4.601 0.000 7.361) 8.681 2.814 ( 0.563 0.000 1.615) 1.711 2.868 ( -2.640 0.000 -3.709) 4.552 2.923 ( -2.693 0.000 4.540) 5.278 2.935 ( 2.595 0.000 6.297) 6.811 2.986 ( 3.700 0.000 5.133) 6.328 3.019 ( 7.766 0.000 13.791) 15.828 3.149 ( -1.959 0.000 9.412) 9.614 3.235 ( 3.514 0.000 -0.492) 3.548 3.335 ( 10.812 0.000 -3.148) 11.261 3.364 ( 0.287 0.000 1.973) 1.994 3.627 ( -1.584 0.000 7.752) 7.912 3.637 ( -2.685 0.000 -2.018) 3.359 3.719 ( 4.586 0.000 -3.213) 5.599 3.811 ( 0.312 0.000 4.082) 4.094 3.874 ( -4.404 0.000 -2.611) 5.120 3.985 ( 0.638 0.000 -14.959) 14.973 4.022 ( 6.170 0.000 0.150) 6.172 4.083 ( 4.438 0.000 2.485) 5.087 4.093 ( 4.312 0.000 -3.538) 5.578 4.212 ( -1.200 0.000 -4.845) 4.992 4.329 ( 5.550 0.000 8.432) 10.094 4.362 ( -0.480 0.000 5.403) 5.424 4.469 ( -3.533 0.000 -1.711) 3.925 4.529 ( 0.872 0.000 0.334) 0.934 4.580 ( 2.411 0.000 0.638) 2.494 4.703 ( -4.345 0.000 -1.451) 4.581 4.759 ( -3.590 0.000 6.329) 7.277 4.783 ( -4.488 0.000 1.502) 4.733 4.854 ( -1.135 0.000 -0.724) 1.346 4.926 ( -0.222 0.000 -5.160) 5.165 5.011 ( -4.372 0.000 -0.775) 4.440 5.055 ( 1.110 0.000 4.997) 5.119 5.089 ( 1.248 0.000 -0.352) 1.297 5.189 ( 6.447 0.000 -3.350) 7.265 5.223 ( -1.932 0.000 3.603) 4.088 5.308 ( -1.159 0.000 -0.978) 1.517 5.333 ( 0.842 0.000 -2.746) 2.872 5.540 ( -4.276 0.000 0.351) 4.291 5.559 ( 3.829 0.000 -3.168) 4.970 5.649 ( -3.135 0.000 3.049) 4.373 5.763 ( -7.648 0.000 -0.628) 7.673 5.817 ( -1.410 0.000 -3.870) 4.119 5.898 ( -2.954 0.000 3.264) 4.402 5.900 ( -0.712 0.000 -1.973) 2.098 6.084 ( 0.371 0.000 0.127) 0.392 6.099 ( 4.073 0.000 -5.658) 6.971 6.227 ( -0.945 0.000 0.664) 1.155 6.265 ( 1.364 0.000 3.275) 3.548 6.368 ( 0.892 0.000 0.800) 1.198 6.413 ( 0.953 0.000 2.227) 2.423 6.518 ( -5.244 0.000 -0.391) 5.258 6.607 ( 1.323 0.000 1.758) 2.200 6.763 ( -3.800 0.000 2.814) 4.729 6.795 ( -8.449 0.000 -2.494) 8.809 7.069 ( -2.047 0.000 -1.702) 2.662 7.106 ( -0.114 0.000 1.798) 1.801 7.218 ( 1.663 0.000 2.932) 3.370 7.254 ( 3.609 0.000 -2.018) 4.135 7.407 ( -1.181 0.000 -3.870) 4.046 7.622 ( 5.891 0.000 -9.039) 10.789 7.709 ( -3.592 0.000 7.932) 8.707 7.761 ( 0.938 0.000 1.443) 1.721 7.864 ( 0.211 0.000 1.680) 1.693 7.947 ( 1.384 0.000 1.917) 2.364 8.226 ( -6.940 0.000 -0.311) 6.947 8.329 ( -10.441 0.000 -0.914) 10.481 8.366 ( -10.897 0.000 -2.354) 11.148 8.396 ( 1.692 0.000 -4.327) 4.646 8.554 ( -1.240 0.000 8.085) 8.180 8.597 ( 0.324 0.000 -5.188) 5.198 8.804 ( -4.080 0.000 -6.684) 7.831 8.839 ( 0.804 0.000 1.110) 1.370 8.877 ( 2.788 0.000 -2.465) 3.722 8.964 ( -4.118 0.000 -1.650) 4.437 9.067 ( -1.823 0.000 3.353) 3.817 9.126 ( -3.405 0.000 3.928) 5.198 9.270 ( 5.582 0.000 -0.341) 5.592 9.293 ( 0.029 0.000 0.902) 0.903 9.549 ( -2.885 0.000 0.986) 3.049 9.618 ( 5.452 0.000 3.853) 6.676 9.667 ( -0.647 0.000 1.625) 1.749 9.741 ( 5.738 0.000 -3.466) 6.703 9.947 ( 2.852 0.000 -2.318) 3.675 10.030 ( -1.854 0.000 -1.288) 2.258 10.073 ( -1.357 0.000 -7.478) 7.601 10.196 ( 6.507 0.000 -1.365) 6.649 10.258 ( -2.828 0.000 2.129) 3.540 10.385 ( -0.192 0.000 1.816) 1.826 10.749 ( -4.697 0.000 4.227) 6.320 10.783 ( 2.301 0.000 -2.784) 3.612 10.929 ( -3.882 0.000 -7.893) 8.796 10.958 ( 0.731 0.000 4.938) 4.992 11.054 ( -2.562 0.000 -5.553) 6.116 11.081 ( 3.245 0.000 4.714) 5.723 11.132 ( -5.355 0.000 -2.704) 5.999 11.335 ( 2.691 0.000 5.654) 6.262 11.966 ( 0.857 0.000 0.552) 1.019 12.083 ( -1.928 0.000 1.193) 2.267 12.091 ( 0.038 0.000 0.092) 0.099 12.177 ( -0.969 0.000 2.721) 2.888 12.359 ( 1.526 0.000 0.078) 1.528 12.367 ( 2.868 0.000 1.706) 3.337 12.476 ( 1.751 0.000 -1.965) 2.632 12.516 ( 1.214 0.000 4.203) 4.375 12.521 ( 4.708 0.000 0.176) 4.711 12.726 ( -2.148 0.000 2.149) 3.038 12.794 ( 2.167 0.000 5.061) 5.505 12.813 ( 3.135 0.000 -0.648) 3.201 12.869 ( -8.023 0.000 -0.053) 8.023 12.978 ( -2.104 0.000 1.748) 2.736 13.003 ( 2.931 0.000 -4.235) 5.150 13.137 ( -3.961 0.000 2.283) 4.572 13.232 ( 1.939 0.000 -0.202) 1.949 13.251 ( -3.486 0.000 2.670) 4.391 13.396 ( -5.386 0.000 -1.937) 5.724 13.425 ( 7.906 0.000 1.316) 8.015 13.639 ( -0.085 0.000 -0.377) 0.386 13.648 ( 1.373 0.000 -2.483) 2.837 13.787 ( 2.665 0.000 -3.616) 4.492 13.799 ( -0.684 0.000 0.429) 0.808 14.037 ( -9.025 0.000 -8.089) 12.119 14.160 ( -7.098 0.000 -2.719) 7.601 14.387 ( 2.162 0.000 -1.886) 2.869 14.477 ( 6.313 0.000 2.294) 6.717 14.488 ( -2.054 0.000 0.908) 2.246 14.541 ( 8.312 0.000 -2.089) 8.571 14.733 ( 4.645 0.000 0.332) 4.656 14.821 ( -6.430 0.000 2.168) 6.786 15.078 ( -1.652 0.000 -3.141) 3.549 15.189 ( 0.555 0.000 4.825) 4.857 15.369 ( 2.298 0.000 1.544) 2.769 15.393 ( 0.978 0.000 1.381) 1.692 15.520 ( -2.930 0.000 -0.943) 3.078 15.531 ( -1.066 0.000 2.075) 2.333 15.714 ( -3.378 0.000 7.382) 8.118 15.936 ( -4.516 0.000 1.032) 4.633 15.990 ( -0.503 0.000 -1.144) 1.249 16.269 ( 4.812 0.000 4.206) 6.391 16.303 ( -5.459 0.000 -2.886) 6.175 16.504 ( -0.443 0.000 0.228) 0.498 16.685 ( 6.086 0.000 3.279) 6.913 16.857 ( 8.561 0.000 -6.777) 10.919 16.892 ( 4.025 0.000 -1.367) 4.251 16.958 ( 6.395 0.000 0.851) 6.451 19.170 ( 2.119 0.000 -1.288) 2.480 19.293 ( 3.203 0.000 1.950) 3.750 19.579 ( -3.196 0.000 3.507) 4.745 19.661 ( -1.427 0.000 -3.781) 4.042 20.969 ( 2.555 0.000 3.080) 4.002 21.006 ( 1.908 0.000 -3.331) 3.839 21.191 ( -4.051 0.000 1.288) 4.251 21.289 ( -5.223 0.000 -1.316) 5.386 25.031 ( -0.309 0.000 2.150) 2.172 25.090 ( -0.296 0.000 0.193) 0.353 25.451 ( 0.821 0.000 0.044) 0.822 25.651 ( 4.031 0.000 6.126) 7.333 25.895 ( -0.052 0.000 0.248) 0.253 25.949 ( 0.460 0.000 -2.065) 2.115 26.194 ( -1.121 0.000 0.147) 1.131 26.200 ( -0.618 0.000 1.702) 1.811 26.675 ( 0.180 0.000 -6.729) 6.731 26.942 ( 2.855 0.000 -8.304) 8.781 27.134 ( 1.963 0.000 -2.375) 3.081 27.166 ( 5.730 0.000 0.313) 5.739 27.239 ( 8.852 0.000 13.613) 16.237 27.316 ( -2.844 0.000 6.624) 7.209 27.429 ( 7.221 0.000 3.751) 8.137 27.479 ( -0.633 0.000 -3.628) 3.683 27.491 ( -1.235 0.000 1.659) 2.069 27.564 ( -0.279 0.000 -0.654) 0.711 27.861 ( -3.859 0.000 -8.512) 9.346 28.013 ( 2.000 0.000 4.318) 4.759 28.014 ( -3.208 0.000 -0.284) 3.221 28.212 ( 0.090 0.000 -2.054) 2.056 28.289 ( -0.982 0.000 -1.380) 1.693 28.448 ( -1.112 0.000 -1.039) 1.522 28.532 ( -4.220 0.000 1.780) 4.579 28.630 ( -1.636 0.000 1.440) 2.180 28.762 ( -4.066 0.000 4.119) 5.788 28.768 ( -8.469 0.000 -2.421) 8.809 28.929 ( -17.883 0.000 -2.029) 17.997 28.988 ( -7.151 0.000 2.254) 7.498 29.367 ( -1.922 0.000 -2.928) 3.502 29.590 ( 5.856 0.000 -2.006) 6.190 29.884 ( 6.890 0.000 1.187) 6.992 29.932 ( -2.899 0.000 0.435) 2.931 30.135 ( -3.093 0.000 8.149) 8.716 30.350 ( -3.237 0.000 -7.806) 8.451 30.423 ( -5.052 0.000 -1.128) 5.176 30.935 ( 1.572 0.000 5.221) 5.452 31.115 ( 14.675 0.000 -1.522) 14.753 31.511 ( 8.821 0.000 -9.851) 13.223 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 10.133 0.000 -4.032) 10.906 1.540 ( 2.620 0.000 -5.267) 5.882 1.592 ( 10.244 0.000 6.868) 12.333 1.916 ( -2.982 0.000 -2.717) 4.035 1.927 ( 2.089 0.000 -4.284) 4.766 2.029 ( -12.750 0.000 4.668) 13.578 2.102 ( 0.618 0.000 -2.731) 2.800 2.246 ( 14.003 0.000 -17.414) 22.346 2.487 ( -5.870 0.000 -2.482) 6.373 2.506 ( 0.049 0.000 -0.545) 0.547 2.648 ( -0.466 0.000 -2.133) 2.183 2.771 ( -2.883 0.000 -1.973) 3.494 2.772 ( 0.024 0.000 -3.106) 3.106 2.879 ( -1.446 0.000 4.087) 4.335 2.929 ( -2.051 0.000 6.505) 6.821 2.958 ( -4.681 0.000 6.569) 8.066 3.064 ( -3.403 0.000 5.940) 6.845 3.120 ( 1.310 0.000 8.033) 8.139 3.276 ( -2.464 0.000 4.505) 5.135 3.330 ( 5.492 0.000 1.712) 5.752 3.445 ( 4.524 0.000 -6.051) 7.555 3.494 ( 8.083 0.000 3.112) 8.662 3.563 ( -4.342 0.000 0.345) 4.355 3.705 ( 0.658 0.000 8.999) 9.024 3.809 ( 6.336 0.000 -0.262) 6.341 3.838 ( -3.780 0.000 3.017) 4.836 3.865 ( 8.600 0.000 -3.008) 9.111 3.913 ( 7.067 0.000 -14.328) 15.976 4.043 ( -2.962 0.000 -5.690) 6.415 4.136 ( -2.203 0.000 2.540) 3.363 4.141 ( 4.839 0.000 -5.947) 7.667 4.145 ( 2.689 0.000 -0.579) 2.751 4.361 ( -2.050 0.000 -1.978) 2.849 4.368 ( -3.368 0.000 2.729) 4.335 4.465 ( -5.905 0.000 -4.526) 7.440 4.480 ( 1.736 0.000 0.376) 1.776 4.607 ( 2.647 0.000 -3.291) 4.224 4.615 ( -6.685 0.000 -2.251) 7.054 4.690 ( 0.684 0.000 3.590) 3.655 4.842 ( -3.429 0.000 6.770) 7.589 4.880 ( 2.493 0.000 2.744) 3.707 4.917 ( 3.188 0.000 -3.263) 4.562 4.950 ( -1.219 0.000 -1.329) 1.803 5.036 ( -3.093 0.000 -1.680) 3.520 5.103 ( -0.661 0.000 1.490) 1.630 5.180 ( -4.737 0.000 0.313) 4.747 5.288 ( -1.641 0.000 2.507) 2.996 5.308 ( 5.979 0.000 3.567) 6.963 5.345 ( 1.845 0.000 -4.441) 4.809 5.469 ( -3.994 0.000 1.866) 4.408 5.547 ( 0.298 0.000 -5.435) 5.443 5.639 ( -6.531 0.000 3.064) 7.214 5.649 ( -0.817 0.000 3.591) 3.682 5.777 ( 0.355 0.000 -1.904) 1.937 5.881 ( -1.029 0.000 1.079) 1.491 5.915 ( -0.277 0.000 4.879) 4.887 6.055 ( 0.143 0.000 -7.799) 7.801 6.097 ( 2.317 0.000 -2.317) 3.277 6.253 ( 1.579 0.000 0.438) 1.639 6.330 ( 1.620 0.000 4.591) 4.868 6.370 ( -1.983 0.000 0.889) 2.173 6.429 ( -4.972 0.000 2.233) 5.450 6.449 ( 0.777 0.000 1.613) 1.790 6.635 ( -2.298 0.000 -2.325) 3.269 6.660 ( -1.602 0.000 0.744) 1.766 6.725 ( -2.107 0.000 -0.016) 2.107 7.038 ( -0.657 0.000 0.664) 0.934 7.087 ( -1.670 0.000 0.735) 1.824 7.240 ( -1.570 0.000 2.870) 3.271 7.324 ( 1.691 0.000 -5.041) 5.317 7.371 ( 3.619 0.000 1.655) 3.980 7.551 ( -0.349 0.000 -8.130) 8.138 7.767 ( 0.231 0.000 -2.796) 2.806 7.800 ( 3.693 0.000 2.485) 4.451 7.865 ( -1.699 0.000 1.385) 2.192 7.966 ( -2.666 0.000 2.214) 3.465 8.121 ( -5.440 0.000 -0.263) 5.447 8.192 ( -5.468 0.000 2.501) 6.013 8.225 ( 0.846 0.000 -5.143) 5.212 8.372 ( -0.358 0.000 -2.539) 2.564 8.531 ( -1.352 0.000 -4.232) 4.442 8.601 ( -4.912 0.000 -0.011) 4.912 8.681 ( 0.517 0.000 3.301) 3.341 8.831 ( -2.560 0.000 2.949) 3.906 8.910 ( 2.983 0.000 -2.907) 4.165 8.930 ( -0.094 0.000 0.349) 0.361 9.097 ( -0.933 0.000 4.101) 4.206 9.121 ( -2.626 0.000 6.015) 6.563 9.298 ( -0.859 0.000 1.613) 1.828 9.380 ( 6.984 0.000 -0.579) 7.008 9.466 ( -6.221 0.000 -0.109) 6.222 9.654 ( -1.942 0.000 0.443) 1.992 9.713 ( 2.297 0.000 1.554) 2.773 9.819 ( 5.581 0.000 -0.534) 5.607 9.954 ( 2.115 0.000 -5.888) 6.256 9.984 ( -1.380 0.000 -3.655) 3.907 10.002 ( 0.177 0.000 0.850) 0.868 10.257 ( -1.022 0.000 3.891) 4.023 10.308 ( 6.869 0.000 -2.694) 7.378 10.396 ( -1.273 0.000 3.918) 4.119 10.694 ( -3.984 0.000 0.730) 4.050 10.793 ( 2.748 0.000 -4.131) 4.961 10.822 ( -1.447 0.000 -3.041) 3.367 11.018 ( 1.856 0.000 -1.516) 2.397 11.021 ( -1.561 0.000 7.633) 7.791 11.066 ( -0.962 0.000 1.015) 1.398 11.178 ( 3.759 0.000 1.920) 4.221 11.379 ( -2.797 0.000 2.428) 3.704 11.967 ( -0.394 0.000 -0.643) 0.754 12.054 ( -1.218 0.000 -1.575) 1.991 12.093 ( 1.551 0.000 0.799) 1.745 12.225 ( 1.644 0.000 0.259) 1.664 12.364 ( -0.186 0.000 -2.447) 2.454 12.427 ( 2.623 0.000 -0.848) 2.757 12.442 ( 1.427 0.000 -4.951) 5.152 12.552 ( 2.101 0.000 -4.610) 5.066 12.569 ( -0.955 0.000 0.082) 0.958 12.690 ( -4.788 0.000 -3.223) 5.772 12.738 ( -6.115 0.000 3.560) 7.076 12.838 ( 1.263 0.000 -0.761) 1.474 12.906 ( 3.008 0.000 7.184) 7.789 12.984 ( 0.573 0.000 1.394) 1.508 13.004 ( 0.226 0.000 0.192) 0.296 13.089 ( -2.722 0.000 -0.748) 2.823 13.180 ( -0.303 0.000 -2.127) 2.148 13.190 ( -5.661 0.000 1.406) 5.833 13.453 ( 4.451 0.000 5.183) 6.832 13.585 ( 3.521 0.000 -1.559) 3.850 13.617 ( 2.104 0.000 1.862) 2.809 13.645 ( 0.190 0.000 1.111) 1.127 13.751 ( -0.204 0.000 -4.333) 4.338 13.832 ( 3.226 0.000 1.114) 3.413 13.908 ( -0.109 0.000 -1.946) 1.949 14.005 ( -7.665 0.000 0.666) 7.694 14.310 ( -2.591 0.000 -10.294) 10.615 14.432 ( -3.385 0.000 -0.898) 3.502 14.601 ( 4.373 0.000 -6.966) 8.225 14.651 ( 7.148 0.000 6.041) 9.359 14.715 ( -7.810 0.000 1.215) 7.904 14.848 ( 4.890 0.000 3.192) 5.839 15.063 ( 0.542 0.000 1.249) 1.361 15.236 ( 1.075 0.000 1.944) 2.221 15.421 ( 0.343 0.000 2.023) 2.052 15.435 ( 1.147 0.000 1.909) 2.227 15.467 ( -1.751 0.000 -0.665) 1.873 15.518 ( -3.802 0.000 3.230) 4.989 15.733 ( -1.275 0.000 4.753) 4.921 15.869 ( -2.986 0.000 -1.441) 3.316 16.010 ( 0.705 0.000 3.946) 4.009 16.193 ( -2.873 0.000 -2.975) 4.136 16.365 ( 2.952 0.000 -0.046) 2.953 16.461 ( -2.698 0.000 -2.326) 3.562 16.800 ( 2.492 0.000 3.607) 4.384 16.915 ( 6.763 0.000 -8.049) 10.513 16.935 ( 1.622 0.000 1.766) 2.398 17.064 ( 4.260 0.000 1.390) 4.481 19.199 ( 1.711 0.000 0.474) 1.775 19.354 ( 0.343 0.000 1.721) 1.755 19.549 ( -3.800 0.000 2.959) 4.816 19.620 ( 0.555 0.000 -1.496) 1.595 21.003 ( 2.256 0.000 -3.602) 4.250 21.024 ( -0.164 0.000 2.517) 2.523 21.153 ( -2.378 0.000 2.581) 3.509 21.211 ( -2.087 0.000 -0.550) 2.158 25.040 ( -0.698 0.000 1.164) 1.358 25.088 ( 0.131 0.000 -0.734) 0.746 25.458 ( 0.792 0.000 -1.327) 1.545 25.712 ( -0.591 0.000 -0.745) 0.951 25.905 ( 0.169 0.000 1.604) 1.613 25.955 ( 0.835 0.000 1.087) 1.371 26.176 ( -0.587 0.000 -0.820) 1.008 26.195 ( -1.311 0.000 0.631) 1.454 26.645 ( 2.901 0.000 -3.944) 4.896 26.899 ( 3.021 0.000 -9.689) 10.149 27.131 ( 1.305 0.000 -2.170) 2.532 27.250 ( 3.697 0.000 -1.224) 3.894 27.353 ( -1.416 0.000 6.823) 6.968 27.430 ( -1.543 0.000 2.572) 3.000 27.461 ( -4.209 0.000 1.918) 4.626 27.508 ( 1.681 0.000 -0.043) 1.682 27.571 ( 4.976 0.000 6.308) 8.034 27.582 ( 2.793 0.000 2.646) 3.847 27.769 ( 2.488 0.000 -2.596) 3.596 27.976 ( -1.505 0.000 1.519) 2.139 28.063 ( 1.149 0.000 -1.926) 2.243 28.155 ( -1.861 0.000 -1.823) 2.605 28.296 ( 2.130 0.000 -0.606) 2.215 28.429 ( -0.040 0.000 -2.867) 2.867 28.498 ( -1.397 0.000 2.609) 2.959 28.577 ( -4.178 0.000 0.020) 4.178 28.657 ( -6.838 0.000 4.526) 8.200 28.663 ( -7.594 0.000 -1.984) 7.849 28.723 ( -3.830 0.000 0.432) 3.854 28.893 ( -5.767 0.000 4.824) 7.519 29.317 ( -0.416 0.000 -3.902) 3.924 29.684 ( 5.721 0.000 -0.045) 5.721 29.895 ( -1.223 0.000 -0.824) 1.475 29.915 ( 0.916 0.000 -8.958) 9.005 30.144 ( -5.379 0.000 8.194) 9.802 30.227 ( -1.456 0.000 -5.387) 5.580 30.413 ( -1.031 0.000 10.000) 10.053 31.014 ( 0.394 0.000 4.188) 4.206 31.296 ( 9.703 0.000 -5.621) 11.213 31.535 ( 5.311 0.000 -8.452) 9.982 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.578 0.000 4.913) 4.947 1.693 ( 18.235 0.000 13.070) 22.435 1.769 ( 3.015 0.000 4.626) 5.522 1.923 ( -1.859 0.000 8.743) 8.939 1.955 ( 2.630 0.000 10.704) 11.022 2.093 ( 12.723 0.000 5.934) 14.039 2.145 ( 5.015 0.000 -1.971) 5.389 2.327 ( 8.640 0.000 -11.534) 14.411 2.441 ( 1.710 0.000 1.867) 2.532 2.530 ( 6.777 0.000 -0.434) 6.791 2.646 ( 1.660 0.000 -1.066) 1.973 2.702 ( -3.389 0.000 -2.033) 3.952 2.724 ( -1.404 0.000 -4.838) 5.037 2.864 ( -1.221 0.000 1.299) 1.783 2.950 ( -4.035 0.000 4.967) 6.399 2.987 ( -1.318 0.000 10.763) 10.843 3.039 ( -7.886 0.000 7.468) 10.861 3.167 ( -4.178 0.000 5.101) 6.594 3.243 ( -5.598 0.000 1.689) 5.847 3.357 ( -3.217 0.000 -5.979) 6.789 3.430 ( 3.195 0.000 -1.149) 3.395 3.565 ( 2.105 0.000 4.883) 5.317 3.586 ( -5.410 0.000 -2.804) 6.093 3.656 ( -9.989 0.000 4.498) 10.955 3.732 ( -4.834 0.000 -3.442) 5.934 3.820 ( -2.827 0.000 -7.203) 7.738 3.952 ( 2.604 0.000 -2.135) 3.368 3.955 ( 0.578 0.000 -5.041) 5.074 3.983 ( 6.434 0.000 -0.874) 6.493 4.089 ( 1.715 0.000 -4.680) 4.984 4.148 ( 0.492 0.000 -0.682) 0.841 4.223 ( 8.935 0.000 -8.746) 12.503 4.342 ( -4.378 0.000 2.025) 4.824 4.346 ( 2.139 0.000 -1.536) 2.634 4.385 ( 6.305 0.000 -2.661) 6.844 4.425 ( -3.018 0.000 -6.487) 7.155 4.516 ( -2.755 0.000 -0.760) 2.858 4.599 ( 1.627 0.000 -5.577) 5.810 4.690 ( -3.933 0.000 0.151) 3.936 4.788 ( -8.002 0.000 1.765) 8.195 4.856 ( -1.069 0.000 -3.071) 3.252 4.932 ( 3.244 0.000 -3.176) 4.540 4.990 ( 0.394 0.000 2.758) 2.786 5.021 ( 2.506 0.000 0.881) 2.656 5.072 ( -3.596 0.000 -2.114) 4.171 5.168 ( 2.893 0.000 6.627) 7.231 5.292 ( -1.440 0.000 -3.263) 3.567 5.322 ( 2.466 0.000 3.258) 4.086 5.402 ( 0.786 0.000 -2.048) 2.194 5.451 ( -1.704 0.000 4.375) 4.695 5.526 ( 2.054 0.000 -0.772) 2.194 5.622 ( -0.292 0.000 3.948) 3.959 5.649 ( -1.001 0.000 0.021) 1.001 5.745 ( -1.939 0.000 -3.656) 4.138 5.909 ( 1.491 0.000 5.414) 5.616 5.948 ( -0.088 0.000 0.217) 0.234 6.038 ( 3.462 0.000 1.377) 3.726 6.108 ( 2.317 0.000 -3.795) 4.447 6.271 ( 1.163 0.000 -1.556) 1.943 6.308 ( -6.264 0.000 0.588) 6.292 6.401 ( 0.278 0.000 4.747) 4.755 6.402 ( -0.748 0.000 -0.547) 0.927 6.465 ( -1.384 0.000 4.511) 4.719 6.529 ( -1.709 0.000 -5.997) 6.236 6.700 ( 1.141 0.000 2.669) 2.903 6.702 ( -0.129 0.000 0.297) 0.324 7.066 ( 1.874 0.000 2.766) 3.341 7.079 ( -0.923 0.000 0.442) 1.023 7.245 ( -1.273 0.000 3.402) 3.632 7.298 ( 2.669 0.000 -3.441) 4.354 7.453 ( 0.543 0.000 2.709) 2.762 7.474 ( 0.527 0.000 -7.264) 7.284 7.726 ( 1.544 0.000 -6.243) 6.431 7.778 ( -3.196 0.000 -4.220) 5.294 7.907 ( -4.206 0.000 0.227) 4.212 7.922 ( 4.556 0.000 2.493) 5.194 8.043 ( -2.270 0.000 -2.030) 3.045 8.175 ( -1.640 0.000 4.632) 4.914 8.272 ( 8.197 0.000 -6.134) 10.238 8.358 ( 1.446 0.000 0.328) 1.483 8.477 ( -4.384 0.000 -2.823) 5.214 8.506 ( 1.542 0.000 -0.059) 1.543 8.799 ( 2.644 0.000 7.215) 7.684 8.842 ( 0.012 0.000 2.749) 2.749 8.926 ( 2.006 0.000 -0.833) 2.172 8.931 ( -0.686 0.000 1.257) 1.432 9.080 ( -4.359 0.000 1.602) 4.644 9.154 ( -1.541 0.000 6.913) 7.082 9.305 ( -0.911 0.000 3.005) 3.140 9.362 ( -5.457 0.000 0.238) 5.463 9.471 ( 4.859 0.000 -2.321) 5.385 9.618 ( -2.194 0.000 -0.552) 2.262 9.726 ( -1.372 0.000 -0.049) 1.373 9.903 ( 5.571 0.000 -3.902) 6.802 9.927 ( 0.402 0.000 -1.116) 1.186 9.990 ( 4.709 0.000 0.038) 4.709 10.033 ( 0.182 0.000 2.648) 2.654 10.301 ( -0.043 0.000 6.296) 6.296 10.318 ( -1.430 0.000 -3.014) 3.336 10.430 ( -0.580 0.000 3.205) 3.257 10.651 ( -1.338 0.000 -0.659) 1.492 10.792 ( 2.357 0.000 -4.807) 5.354 10.845 ( 4.403 0.000 3.003) 5.329 11.031 ( -5.763 0.000 6.413) 8.622 11.049 ( 2.329 0.000 2.332) 3.296 11.134 ( 3.622 0.000 5.414) 6.514 11.220 ( -0.734 0.000 -1.318) 1.508 11.298 ( -5.398 0.000 -2.148) 5.810 11.955 ( 0.377 0.000 -1.066) 1.131 12.029 ( 0.673 0.000 -2.536) 2.624 12.119 ( -0.611 0.000 1.159) 1.310 12.185 ( -2.953 0.000 -4.403) 5.302 12.354 ( 1.952 0.000 -1.463) 2.440 12.419 ( 0.112 0.000 -5.890) 5.891 12.433 ( 3.450 0.000 -5.639) 6.611 12.500 ( -2.814 0.000 -4.099) 4.972 12.510 ( -6.892 0.000 -6.640) 9.570 12.529 ( 1.075 0.000 -6.369) 6.459 12.724 ( -2.408 0.000 5.832) 6.309 12.850 ( -1.293 0.000 0.921) 1.588 12.986 ( -1.371 0.000 -1.152) 1.791 12.990 ( -3.031 0.000 6.586) 7.250 13.040 ( 6.573 0.000 -0.554) 6.597 13.097 ( 3.346 0.000 2.901) 4.429 13.104 ( -4.913 0.000 0.912) 4.997 13.204 ( 3.504 0.000 -0.976) 3.638 13.503 ( -2.610 0.000 -3.241) 4.161 13.563 ( -0.231 0.000 8.008) 8.011 13.634 ( -2.798 0.000 -0.127) 2.801 13.704 ( -0.343 0.000 0.083) 0.353 13.848 ( 8.548 0.000 6.251) 10.590 13.887 ( -2.336 0.000 2.439) 3.377 13.922 ( 2.731 0.000 1.148) 2.962 13.987 ( 4.039 0.000 6.161) 7.367 14.147 ( 0.443 0.000 -14.904) 14.911 14.369 ( -1.294 0.000 -3.638) 3.861 14.572 ( 1.963 0.000 -8.733) 8.951 14.579 ( -6.088 0.000 -3.420) 6.982 14.810 ( 2.980 0.000 6.485) 7.137 14.934 ( 1.395 0.000 2.743) 3.078 15.116 ( 1.805 0.000 5.811) 6.085 15.254 ( -1.645 0.000 1.081) 1.968 15.412 ( -1.321 0.000 -1.464) 1.972 15.423 ( -1.406 0.000 0.673) 1.559 15.445 ( -5.399 0.000 0.250) 5.405 15.496 ( 1.016 0.000 2.974) 3.143 15.775 ( 1.071 0.000 4.201) 4.336 15.807 ( -0.541 0.000 -4.748) 4.779 16.076 ( -0.062 0.000 7.565) 7.566 16.171 ( 1.509 0.000 0.322) 1.543 16.324 ( -3.933 0.000 -3.688) 5.391 16.433 ( 1.772 0.000 -2.414) 2.994 16.811 ( -3.547 0.000 0.557) 3.590 16.930 ( 3.953 0.000 -7.069) 8.099 17.000 ( 1.624 0.000 4.421) 4.710 17.117 ( 0.194 0.000 0.958) 0.977 19.236 ( 1.233 0.000 1.923) 2.284 19.330 ( -2.252 0.000 -1.470) 2.689 19.522 ( -2.216 0.000 2.685) 3.481 19.650 ( 2.226 0.000 1.330) 2.593 21.006 ( -2.750 0.000 -0.033) 2.750 21.027 ( 3.912 0.000 -1.933) 4.363 21.155 ( -1.550 0.000 3.848) 4.149 21.211 ( 0.740 0.000 1.319) 1.512 25.033 ( -0.867 0.000 0.375) 0.944 25.073 ( -0.590 0.000 -1.619) 1.723 25.455 ( 0.604 0.000 -1.468) 1.587 25.632 ( -3.272 0.000 -6.896) 7.632 25.932 ( 0.100 0.000 3.142) 3.143 25.996 ( 1.034 0.000 3.658) 3.801 26.156 ( -0.190 0.000 -1.786) 1.796 26.173 ( -0.989 0.000 -0.689) 1.206 26.679 ( 3.252 0.000 -1.202) 3.467 26.859 ( 3.823 0.000 -9.792) 10.512 27.148 ( 2.408 0.000 -0.640) 2.491 27.228 ( -3.028 0.000 -5.492) 6.271 27.380 ( -3.419 0.000 4.648) 5.769 27.407 ( -2.766 0.000 2.070) 3.455 27.427 ( -2.156 0.000 1.945) 2.904 27.496 ( 1.250 0.000 -0.497) 1.345 27.547 ( -3.391 0.000 -2.337) 4.118 27.644 ( -3.496 0.000 3.419) 4.890 27.894 ( 6.275 0.000 5.370) 8.259 27.990 ( -3.012 0.000 -7.488) 8.071 27.999 ( 0.444 0.000 4.712) 4.732 28.205 ( 3.992 0.000 4.263) 5.840 28.324 ( 0.195 0.000 -0.339) 0.391 28.394 ( 0.120 0.000 -2.357) 2.360 28.515 ( -1.512 0.000 2.674) 3.072 28.534 ( 0.589 0.000 -1.381) 1.501 28.575 ( 0.142 0.000 4.102) 4.104 28.650 ( -1.465 0.000 -3.699) 3.979 28.703 ( 2.326 0.000 6.677) 7.070 28.917 ( -0.201 0.000 9.011) 9.013 29.268 ( 1.003 0.000 -6.419) 6.497 29.749 ( 2.607 0.000 -3.289) 4.197 29.799 ( -1.946 0.000 -9.436) 9.634 29.871 ( -0.405 0.000 -1.237) 1.301 30.118 ( -5.659 0.000 5.733) 8.055 30.236 ( 6.191 0.000 0.754) 6.236 30.535 ( -0.414 0.000 14.267) 14.273 31.004 ( -4.736 0.000 1.375) 4.932 31.312 ( 1.033 0.000 -9.390) 9.446 31.549 ( 5.990 0.000 -7.838) 9.865 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -21.690 0.000 4.135) 22.081 1.704 ( -18.984 0.000 6.534) 20.077 2.041 ( 1.741 0.000 -5.559) 5.825 2.116 ( 11.446 0.000 3.945) 12.107 2.165 ( 13.403 0.000 8.086) 15.653 2.288 ( 7.251 0.000 8.758) 11.370 2.331 ( 4.385 0.000 -3.993) 5.931 2.349 ( 4.587 0.000 -6.940) 8.319 2.565 ( 3.142 0.000 -2.414) 3.962 2.601 ( 4.538 0.000 10.861) 11.771 2.604 ( -4.137 0.000 -9.454) 10.320 2.704 ( 10.901 0.000 -3.744) 11.526 2.712 ( 2.630 0.000 1.349) 2.956 2.783 ( -16.562 0.000 -6.041) 17.630 2.867 ( -6.813 0.000 -2.160) 7.147 2.969 ( -6.391 0.000 5.516) 8.442 3.044 ( -8.479 0.000 8.268) 11.843 3.082 ( -8.857 0.000 7.097) 11.349 3.122 ( 0.264 0.000 1.630) 1.651 3.234 ( -3.865 0.000 -3.484) 5.204 3.321 ( -9.104 0.000 -2.848) 9.539 3.447 ( -0.432 0.000 0.824) 0.930 3.479 ( -12.863 0.000 -1.585) 12.961 3.634 ( -4.548 0.000 1.511) 4.793 3.765 ( 5.817 0.000 3.203) 6.641 3.790 ( 4.901 0.000 5.171) 7.124 3.923 ( -3.391 0.000 1.412) 3.674 3.926 ( 0.866 0.000 -5.236) 5.307 4.024 ( 1.153 0.000 3.559) 3.741 4.115 ( -1.761 0.000 -9.539) 9.701 4.123 ( 5.404 0.000 -5.944) 8.034 4.161 ( -2.316 0.000 -6.478) 6.880 4.264 ( 0.651 0.000 -11.119) 11.138 4.359 ( 1.776 0.000 1.675) 2.441 4.485 ( 5.728 0.000 4.757) 7.446 4.512 ( 8.939 0.000 -1.451) 9.056 4.518 ( 4.154 0.000 -2.227) 4.713 4.554 ( 1.233 0.000 -7.059) 7.166 4.612 ( -2.746 0.000 -0.795) 2.859 4.648 ( -5.876 0.000 -0.538) 5.900 4.868 ( 2.739 0.000 2.882) 3.976 4.971 ( -4.239 0.000 0.988) 4.353 4.990 ( 4.644 0.000 -0.907) 4.732 5.019 ( 0.477 0.000 -2.405) 2.451 5.127 ( 7.039 0.000 2.306) 7.407 5.254 ( 0.541 0.000 -2.420) 2.480 5.307 ( 0.748 0.000 11.883) 11.906 5.355 ( -2.303 0.000 -0.333) 2.327 5.416 ( 2.726 0.000 4.817) 5.535 5.501 ( 3.860 0.000 2.011) 4.352 5.530 ( -0.253 0.000 -0.726) 0.769 5.627 ( 0.048 0.000 -5.250) 5.250 5.692 ( 1.696 0.000 -3.386) 3.787 5.694 ( 5.063 0.000 2.102) 5.482 5.958 ( 1.465 0.000 -0.587) 1.578 6.026 ( 2.197 0.000 7.362) 7.683 6.098 ( 1.455 0.000 -3.716) 3.991 6.137 ( 2.903 0.000 5.613) 6.319 6.168 ( -8.005 0.000 -1.946) 8.238 6.255 ( -0.419 0.000 -3.490) 3.515 6.341 ( -2.934 0.000 -0.668) 3.009 6.418 ( 0.067 0.000 0.048) 0.083 6.484 ( -0.241 0.000 -1.415) 1.435 6.535 ( 1.984 0.000 4.510) 4.927 6.730 ( 0.955 0.000 2.589) 2.760 6.752 ( 2.834 0.000 1.149) 3.058 7.041 ( -1.619 0.000 -3.024) 3.430 7.136 ( 2.181 0.000 2.119) 3.041 7.260 ( -1.279 0.000 3.970) 4.171 7.324 ( 0.348 0.000 0.203) 0.403 7.428 ( 2.101 0.000 -6.186) 6.533 7.453 ( 0.778 0.000 -0.958) 1.234 7.662 ( -2.704 0.000 -7.714) 8.174 7.720 ( 1.072 0.000 -1.215) 1.620 7.852 ( -1.024 0.000 -1.721) 2.003 7.968 ( -2.334 0.000 -2.596) 3.491 8.053 ( 5.957 0.000 1.258) 6.089 8.218 ( 2.192 0.000 3.704) 4.304 8.324 ( 4.688 0.000 -3.302) 5.734 8.418 ( -0.817 0.000 -0.206) 0.843 8.447 ( 6.533 0.000 0.059) 6.534 8.567 ( 4.696 0.000 -0.684) 4.746 8.855 ( -0.165 0.000 2.165) 2.172 8.870 ( 2.179 0.000 -0.961) 2.381 8.942 ( -0.038 0.000 2.546) 2.547 8.987 ( 3.597 0.000 -0.055) 3.597 9.013 ( -3.793 0.000 1.480) 4.072 9.170 ( -6.341 0.000 6.855) 9.338 9.306 ( -2.040 0.000 3.102) 3.712 9.329 ( -0.478 0.000 4.387) 4.413 9.508 ( 3.886 0.000 -4.474) 5.927 9.567 ( -2.374 0.000 -1.578) 2.851 9.701 ( -1.246 0.000 2.006) 2.362 9.902 ( 1.914 0.000 -4.149) 4.569 9.974 ( 3.441 0.000 -1.902) 3.932 10.036 ( -4.531 0.000 4.904) 6.677 10.114 ( 7.957 0.000 -0.120) 7.958 10.231 ( -4.066 0.000 -3.761) 5.538 10.362 ( -1.021 0.000 6.707) 6.784 10.427 ( -1.809 0.000 0.830) 1.991 10.618 ( -1.887 0.000 -0.692) 2.010 10.784 ( 1.886 0.000 -3.737) 4.185 10.962 ( -6.326 0.000 1.789) 6.574 11.004 ( 7.131 0.000 7.190) 10.126 11.106 ( -7.911 0.000 -1.741) 8.100 11.159 ( 4.341 0.000 6.788) 8.058 11.193 ( -2.854 0.000 -6.570) 7.163 11.261 ( 3.867 0.000 6.550) 7.606 11.967 ( 2.245 0.000 -1.099) 2.500 12.036 ( 3.153 0.000 -2.997) 4.350 12.075 ( -6.656 0.000 1.441) 6.810 12.092 ( -3.134 0.000 -2.569) 4.053 12.302 ( -2.009 0.000 -10.908) 11.091 12.356 ( -0.124 0.000 -0.662) 0.674 12.357 ( -3.039 0.000 -4.467) 5.403 12.402 ( -2.536 0.000 -3.817) 4.582 12.497 ( 5.550 0.000 -0.342) 5.561 12.509 ( 2.084 0.000 -4.072) 4.575 12.765 ( 0.749 0.000 4.676) 4.736 12.811 ( -2.031 0.000 -1.010) 2.268 12.954 ( 0.388 0.000 -1.890) 1.930 12.983 ( -3.845 0.000 4.477) 5.901 13.056 ( -2.557 0.000 2.489) 3.568 13.144 ( 5.714 0.000 -0.679) 5.754 13.233 ( -0.560 0.000 0.803) 0.979 13.253 ( 9.324 0.000 3.491) 9.956 13.438 ( -3.082 0.000 -0.797) 3.183 13.523 ( -9.128 0.000 2.060) 9.358 13.641 ( 0.469 0.000 4.947) 4.969 13.686 ( -1.837 0.000 -0.729) 1.977 13.780 ( -8.046 0.000 -2.729) 8.496 13.874 ( -3.429 0.000 -1.420) 3.712 14.090 ( 6.701 0.000 -11.593) 13.390 14.143 ( 9.716 0.000 7.543) 12.300 14.182 ( 9.276 0.000 6.087) 11.095 14.322 ( 1.624 0.000 -5.642) 5.872 14.467 ( -1.771 0.000 -3.336) 3.777 14.530 ( 3.280 0.000 -4.894) 5.892 14.863 ( -2.324 0.000 2.940) 3.747 14.935 ( -2.786 0.000 -1.657) 3.241 15.188 ( -5.551 0.000 1.855) 5.853 15.227 ( 1.057 0.000 7.616) 7.689 15.386 ( 0.614 0.000 -1.539) 1.656 15.413 ( 2.862 0.000 2.563) 3.842 15.424 ( -1.260 0.000 2.030) 2.390 15.533 ( -0.138 0.000 2.746) 2.749 15.765 ( 3.023 0.000 -7.198) 7.807 15.862 ( 3.146 0.000 6.468) 7.193 16.157 ( -0.672 0.000 9.578) 9.601 16.217 ( 2.205 0.000 1.570) 2.707 16.224 ( -4.477 0.000 -1.030) 4.594 16.426 ( 1.000 0.000 -4.424) 4.536 16.709 ( -6.413 0.000 -2.742) 6.975 16.914 ( 0.607 0.000 -3.544) 3.596 17.043 ( -1.789 0.000 3.171) 3.641 17.084 ( -4.155 0.000 -0.566) 4.193 19.279 ( -1.549 0.000 -1.449) 2.121 19.288 ( 1.872 0.000 3.741) 4.183 19.530 ( -0.367 0.000 3.170) 3.191 19.703 ( 2.562 0.000 0.724) 2.662 20.949 ( -2.843 0.000 -1.452) 3.193 21.090 ( 4.314 0.000 -0.275) 4.323 21.161 ( -2.308 0.000 3.253) 3.988 21.234 ( 0.682 0.000 0.101) 0.689 25.022 ( -0.932 0.000 0.610) 1.114 25.039 ( -1.321 0.000 -1.501) 2.000 25.450 ( -0.256 0.000 -0.422) 0.494 25.492 ( -4.019 0.000 -7.488) 8.499 25.969 ( -0.165 0.000 4.371) 4.374 26.058 ( 1.157 0.000 4.583) 4.727 26.133 ( 0.115 0.000 -2.604) 2.606 26.148 ( -0.596 0.000 -1.892) 1.983 26.711 ( 1.735 0.000 -1.922) 2.589 26.837 ( 5.082 0.000 -10.025) 11.239 27.059 ( -7.587 0.000 -6.300) 9.862 27.192 ( 1.455 0.000 1.657) 2.205 27.336 ( -4.064 0.000 2.911) 4.999 27.391 ( -5.793 0.000 4.641) 7.422 27.402 ( -2.067 0.000 1.800) 2.741 27.485 ( -1.958 0.000 0.845) 2.133 27.534 ( 2.536 0.000 -0.128) 2.539 27.616 ( -2.832 0.000 3.889) 4.811 27.874 ( -1.282 0.000 -7.249) 7.361 28.022 ( 3.644 0.000 2.777) 4.582 28.084 ( 1.787 0.000 7.813) 8.015 28.245 ( -0.097 0.000 -3.566) 3.567 28.316 ( -0.871 0.000 4.180) 4.270 28.377 ( -2.985 0.000 -1.073) 3.172 28.488 ( -0.816 0.000 0.887) 1.205 28.503 ( -0.573 0.000 -4.198) 4.237 28.630 ( 3.917 0.000 -4.682) 6.105 28.783 ( 13.620 0.000 3.956) 14.183 28.831 ( 3.754 0.000 8.820) 9.586 29.010 ( -0.445 0.000 7.119) 7.133 29.255 ( 5.499 0.000 -5.162) 7.542 29.642 ( 0.257 0.000 -15.287) 15.290 29.762 ( -1.956 0.000 3.479) 3.991 29.858 ( 0.170 0.000 -0.810) 0.828 30.071 ( -4.188 0.000 2.130) 4.699 30.432 ( 11.623 0.000 4.849) 12.594 30.651 ( -3.042 0.000 12.611) 12.973 30.900 ( -7.329 0.000 1.187) 7.424 31.172 ( -5.394 0.000 -9.770) 11.160 31.566 ( 5.764 0.000 -9.665) 11.253 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -27.210 0.000 8.454) 28.493 1.263 ( -33.266 0.000 -5.818) 33.771 1.859 ( -31.741 0.000 -6.963) 32.495 2.043 ( -12.583 0.000 -13.278) 18.293 2.050 ( -8.189 0.000 -8.374) 11.712 2.270 ( 6.567 0.000 -4.445) 7.930 2.358 ( -0.778 0.000 -8.613) 8.648 2.390 ( 10.055 0.000 -6.700) 12.083 2.438 ( -6.437 0.000 0.923) 6.503 2.577 ( -6.246 0.000 1.126) 6.347 2.618 ( 1.908 0.000 -2.695) 3.302 2.728 ( 2.981 0.000 -2.174) 3.690 2.766 ( 0.987 0.000 5.436) 5.525 2.831 ( 2.703 0.000 2.003) 3.364 2.836 ( 5.179 0.000 -3.638) 6.329 2.932 ( -5.290 0.000 6.102) 8.076 2.978 ( -3.755 0.000 -0.145) 3.758 3.058 ( 2.218 0.000 1.440) 2.644 3.109 ( -0.007 0.000 -3.154) 3.154 3.158 ( -7.282 0.000 -3.427) 8.048 3.239 ( -1.354 0.000 7.965) 8.079 3.351 ( -3.479 0.000 7.250) 8.042 3.476 ( -1.989 0.000 5.569) 5.914 3.602 ( 2.971 0.000 -1.823) 3.485 3.805 ( -5.040 0.000 -6.112) 7.922 3.847 ( 0.285 0.000 1.856) 1.878 3.873 ( 0.280 0.000 -5.752) 5.758 3.914 ( -0.546 0.000 4.030) 4.066 4.056 ( 1.240 0.000 5.958) 6.086 4.079 ( -3.335 0.000 -0.549) 3.380 4.142 ( 1.156 0.000 1.149) 1.630 4.166 ( 4.610 0.000 6.940) 8.332 4.240 ( 5.575 0.000 -4.238) 7.003 4.423 ( 3.368 0.000 2.644) 4.282 4.471 ( -0.642 0.000 -5.822) 5.857 4.543 ( 2.501 0.000 -2.022) 3.216 4.587 ( 4.385 0.000 -4.594) 6.351 4.603 ( 1.413 0.000 -4.589) 4.802 4.637 ( 2.481 0.000 -1.071) 2.702 4.645 ( 5.910 0.000 4.527) 7.444 4.902 ( -4.517 0.000 2.376) 5.104 4.958 ( -0.612 0.000 3.879) 3.927 5.028 ( 1.722 0.000 -2.338) 2.904 5.034 ( 4.961 0.000 -0.812) 5.027 5.252 ( 2.119 0.000 -2.151) 3.020 5.278 ( 7.176 0.000 0.929) 7.235 5.375 ( 1.084 0.000 6.615) 6.703 5.411 ( -0.034 0.000 7.939) 7.939 5.507 ( -0.288 0.000 6.017) 6.024 5.509 ( 0.689 0.000 -7.515) 7.546 5.584 ( 1.312 0.000 -1.381) 1.905 5.605 ( 5.584 0.000 2.895) 6.290 5.736 ( 7.444 0.000 -3.146) 8.081 5.802 ( 4.764 0.000 0.346) 4.776 5.951 ( -7.491 0.000 -2.662) 7.950 5.971 ( 0.633 0.000 -0.993) 1.178 6.095 ( 3.111 0.000 -4.238) 5.257 6.142 ( -0.576 0.000 -5.213) 5.245 6.172 ( 1.350 0.000 4.344) 4.549 6.279 ( 1.254 0.000 4.124) 4.310 6.350 ( -0.046 0.000 6.251) 6.251 6.413 ( -3.686 0.000 2.580) 4.499 6.469 ( 1.893 0.000 -2.545) 3.172 6.562 ( -1.399 0.000 0.008) 1.399 6.758 ( -0.043 0.000 0.561) 0.563 6.817 ( 4.668 0.000 -1.566) 4.924 7.005 ( 0.684 0.000 0.415) 0.800 7.150 ( -0.629 0.000 -0.179) 0.654 7.288 ( -1.537 0.000 4.811) 5.050 7.316 ( -0.642 0.000 -0.512) 0.821 7.388 ( 0.379 0.000 -12.611) 12.617 7.472 ( 2.862 0.000 -2.577) 3.851 7.571 ( 1.602 0.000 -3.843) 4.163 7.708 ( -3.852 0.000 3.677) 5.325 7.832 ( 0.453 0.000 -2.455) 2.496 7.891 ( -1.912 0.000 -3.628) 4.101 8.134 ( -1.138 0.000 4.887) 5.017 8.343 ( 8.119 0.000 2.580) 8.519 8.377 ( 4.105 0.000 -2.009) 4.571 8.438 ( 2.792 0.000 0.482) 2.833 8.522 ( 4.266 0.000 -5.725) 7.140 8.646 ( 4.696 0.000 2.527) 5.332 8.885 ( 2.689 0.000 -0.252) 2.700 8.905 ( 3.809 0.000 -2.403) 4.504 8.955 ( -3.312 0.000 4.559) 5.635 8.988 ( -2.606 0.000 -2.568) 3.659 9.031 ( 6.526 0.000 -2.537) 7.002 9.095 ( -6.513 0.000 5.037) 8.234 9.306 ( -3.080 0.000 2.458) 3.940 9.375 ( -0.098 0.000 5.039) 5.040 9.517 ( -1.309 0.000 -1.115) 1.720 9.532 ( 3.071 0.000 -2.928) 4.243 9.751 ( 3.555 0.000 3.315) 4.861 9.897 ( 0.151 0.000 -1.934) 1.940 9.930 ( -6.198 0.000 -0.788) 6.248 10.025 ( 1.284 0.000 -0.606) 1.420 10.105 ( -3.552 0.000 -5.005) 6.138 10.241 ( 6.899 0.000 -2.611) 7.377 10.384 ( -2.532 0.000 -1.983) 3.216 10.390 ( -3.131 0.000 5.697) 6.501 10.576 ( -2.640 0.000 -0.021) 2.640 10.785 ( 1.498 0.000 -1.607) 2.197 10.873 ( -2.990 0.000 -2.608) 3.968 10.981 ( -4.838 0.000 0.140) 4.840 11.078 ( -3.115 0.000 -4.521) 5.490 11.191 ( 6.151 0.000 3.716) 7.186 11.292 ( 2.370 0.000 7.512) 7.877 11.406 ( 4.304 0.000 7.917) 9.012 11.933 ( -8.940 0.000 1.999) 9.160 12.002 ( -3.186 0.000 -1.667) 3.595 12.006 ( 3.182 0.000 -0.896) 3.306 12.096 ( 5.082 0.000 -1.605) 5.330 12.214 ( -0.005 0.000 -3.606) 3.606 12.293 ( -0.715 0.000 -1.805) 1.941 12.320 ( -3.684 0.000 -0.330) 3.699 12.370 ( 0.859 0.000 1.232) 1.502 12.521 ( 3.289 0.000 -2.610) 4.199 12.566 ( 1.081 0.000 -0.236) 1.107 12.782 ( -0.966 0.000 0.644) 1.161 12.832 ( 2.755 0.000 2.131) 3.483 12.954 ( -3.427 0.000 2.451) 4.213 12.994 ( 5.437 0.000 -0.344) 5.448 13.063 ( -0.981 0.000 4.504) 4.610 13.201 ( -3.824 0.000 0.956) 3.942 13.207 ( 2.187 0.000 -1.159) 2.475 13.343 ( -10.250 0.000 -1.024) 10.301 13.381 ( -2.567 0.000 -0.202) 2.575 13.453 ( 8.081 0.000 1.579) 8.234 13.597 ( -7.108 0.000 -2.730) 7.614 13.616 ( -3.858 0.000 -0.305) 3.870 13.740 ( 3.772 0.000 1.882) 4.215 13.756 ( -6.717 0.000 -2.430) 7.143 14.070 ( 4.811 0.000 -11.807) 12.749 14.281 ( 4.623 0.000 -1.918) 5.005 14.309 ( 2.604 0.000 -4.613) 5.297 14.360 ( 3.034 0.000 3.648) 4.744 14.493 ( 6.068 0.000 2.240) 6.469 14.649 ( 5.567 0.000 5.446) 7.788 14.805 ( -4.529 0.000 -1.249) 4.698 14.832 ( -1.030 0.000 -5.041) 5.145 15.149 ( -1.811 0.000 1.087) 2.112 15.263 ( -0.734 0.000 1.699) 1.851 15.394 ( 1.053 0.000 -1.203) 1.599 15.429 ( -0.640 0.000 2.945) 3.014 15.548 ( -1.487 0.000 4.029) 4.295 15.565 ( 5.175 0.000 6.506) 8.313 15.780 ( 6.441 0.000 -4.471) 7.840 16.016 ( 6.475 0.000 7.000) 9.536 16.155 ( -3.171 0.000 0.309) 3.186 16.230 ( 1.407 0.000 3.131) 3.432 16.298 ( 0.928 0.000 11.728) 11.765 16.384 ( 0.525 0.000 -5.264) 5.290 16.560 ( -6.250 0.000 -4.386) 7.636 16.887 ( -3.364 0.000 2.578) 4.238 16.982 ( -4.979 0.000 -1.199) 5.122 16.988 ( -6.921 0.000 0.846) 6.972 19.255 ( 0.313 0.000 -1.194) 1.235 19.383 ( 4.210 0.000 4.510) 6.170 19.568 ( 0.031 0.000 4.591) 4.591 19.749 ( 2.234 0.000 -0.005) 2.234 20.884 ( -2.591 0.000 -1.932) 3.233 21.125 ( -4.101 0.000 2.099) 4.607 21.166 ( 3.736 0.000 -0.337) 3.751 21.224 ( -0.452 0.000 -2.996) 3.030 25.016 ( -0.991 0.000 1.461) 1.765 25.020 ( -0.721 0.000 3.305) 3.383 25.361 ( -3.875 0.000 -4.282) 5.775 25.438 ( -1.547 0.000 1.570) 2.204 26.014 ( -0.046 0.000 4.824) 4.824 26.094 ( 0.935 0.000 -3.492) 3.615 26.107 ( -1.174 0.000 -3.344) 3.544 26.137 ( 0.455 0.000 4.668) 4.690 26.681 ( -2.014 0.000 -3.013) 3.624 26.812 ( 4.702 0.000 -14.203) 14.961 26.927 ( -2.462 0.000 -0.810) 2.592 27.197 ( -2.863 0.000 1.230) 3.116 27.322 ( -8.337 0.000 6.074) 10.315 27.347 ( 0.635 0.000 6.165) 6.197 27.378 ( -1.965 0.000 2.479) 3.163 27.499 ( -0.093 0.000 4.555) 4.556 27.564 ( 0.535 0.000 -0.312) 0.620 27.622 ( -0.084 0.000 1.915) 1.917 27.804 ( 0.445 0.000 -5.621) 5.639 28.095 ( 1.724 0.000 2.302) 2.876 28.160 ( -2.462 0.000 0.788) 2.585 28.212 ( 0.959 0.000 -2.523) 2.699 28.246 ( -4.048 0.000 -3.699) 5.483 28.327 ( -3.065 0.000 1.918) 3.615 28.459 ( 2.586 0.000 -5.195) 5.803 28.537 ( 3.013 0.000 2.092) 3.668 28.684 ( 6.215 0.000 -2.247) 6.609 28.937 ( 4.080 0.000 4.090) 5.777 29.039 ( -1.352 0.000 5.192) 5.366 29.086 ( 12.438 0.000 4.389) 13.189 29.344 ( 7.114 0.000 -1.743) 7.324 29.507 ( 0.344 0.000 -12.083) 12.088 29.778 ( -1.064 0.000 4.844) 4.959 29.861 ( 0.771 0.000 -0.529) 0.935 30.023 ( -1.987 0.000 -1.136) 2.288 30.593 ( -7.223 0.000 -0.644) 7.252 30.684 ( 5.313 0.000 8.297) 9.852 30.873 ( -0.402 0.000 7.019) 7.031 30.952 ( -8.553 0.000 -9.161) 12.533 31.538 ( 4.079 0.000 -14.450) 15.015 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -31.912 0.000 -5.511) 32.385 0.670 ( -27.487 0.000 19.132) 33.490 1.250 ( -48.860 0.000 37.278) 61.457 1.801 ( -3.419 0.000 -1.115) 3.596 1.961 ( 7.664 0.000 -16.328) 18.037 2.197 ( -0.448 0.000 -9.473) 9.484 2.301 ( 5.818 0.000 -6.987) 9.092 2.396 ( -2.245 0.000 0.916) 2.424 2.457 ( 5.562 0.000 -6.238) 8.358 2.472 ( -5.047 0.000 3.668) 6.239 2.606 ( 3.876 0.000 -6.546) 7.607 2.710 ( -5.589 0.000 -4.911) 7.440 2.759 ( -4.974 0.000 -0.447) 4.994 2.772 ( -0.374 0.000 -2.987) 3.010 2.835 ( -0.630 0.000 6.570) 6.600 3.014 ( 3.082 0.000 -3.752) 4.855 3.023 ( 0.132 0.000 3.988) 3.990 3.051 ( 1.127 0.000 0.520) 1.241 3.088 ( -0.355 0.000 1.402) 1.446 3.153 ( 4.113 0.000 7.160) 8.257 3.289 ( 0.201 0.000 3.747) 3.753 3.419 ( 2.541 0.000 4.585) 5.242 3.427 ( -6.152 0.000 -0.430) 6.167 3.651 ( -5.973 0.000 -2.259) 6.386 3.656 ( 3.623 0.000 -1.753) 4.025 3.836 ( 2.374 0.000 -6.787) 7.190 3.864 ( -0.783 0.000 3.011) 3.111 3.969 ( 2.312 0.000 1.305) 2.655 4.003 ( -2.824 0.000 2.586) 3.829 4.145 ( -2.881 0.000 3.433) 4.482 4.180 ( -2.209 0.000 8.546) 8.826 4.280 ( 3.062 0.000 2.311) 3.836 4.321 ( 3.455 0.000 2.490) 4.259 4.366 ( -3.959 0.000 -3.822) 5.503 4.518 ( 1.953 0.000 -5.123) 5.482 4.567 ( 0.815 0.000 0.456) 0.934 4.581 ( 5.344 0.000 -8.268) 9.844 4.623 ( 2.962 0.000 2.217) 3.700 4.674 ( 3.809 0.000 1.122) 3.970 4.750 ( 2.711 0.000 0.259) 2.723 4.836 ( -4.896 0.000 0.095) 4.897 4.966 ( -0.877 0.000 3.288) 3.403 5.037 ( 2.598 0.000 0.656) 2.679 5.115 ( 3.704 0.000 -0.960) 3.827 5.272 ( 0.415 0.000 0.513) 0.659 5.363 ( -0.134 0.000 -8.997) 8.998 5.380 ( 5.157 0.000 -2.359) 5.671 5.452 ( -5.971 0.000 0.052) 5.971 5.463 ( -1.392 0.000 -0.436) 1.459 5.561 ( 0.899 0.000 2.308) 2.477 5.630 ( 8.861 0.000 2.825) 9.301 5.734 ( 2.209 0.000 3.916) 4.496 5.839 ( 7.023 0.000 -4.961) 8.598 5.845 ( 1.766 0.000 -2.554) 3.105 5.874 ( -0.445 0.000 2.401) 2.442 5.975 ( 2.803 0.000 -1.358) 3.114 6.114 ( 0.188 0.000 1.206) 1.220 6.117 ( 3.269 0.000 -2.982) 4.424 6.191 ( -1.522 0.000 1.125) 1.893 6.284 ( -4.979 0.000 -2.533) 5.586 6.352 ( -5.099 0.000 2.465) 5.664 6.354 ( -5.439 0.000 1.522) 5.648 6.491 ( 2.370 0.000 -1.597) 2.858 6.558 ( -0.021 0.000 5.200) 5.200 6.732 ( -0.249 0.000 -6.022) 6.027 6.891 ( 5.939 0.000 -1.222) 6.064 7.062 ( -11.469 0.000 -14.634) 18.593 7.072 ( 2.829 0.000 3.538) 4.530 7.229 ( 2.608 0.000 2.108) 3.353 7.284 ( -3.290 0.000 1.457) 3.598 7.289 ( -1.097 0.000 -1.160) 1.596 7.497 ( 1.267 0.000 -1.137) 1.703 7.627 ( 4.555 0.000 0.954) 4.654 7.677 ( -3.283 0.000 4.195) 5.327 7.814 ( -0.225 0.000 -0.673) 0.709 7.897 ( 3.591 0.000 7.150) 8.001 8.135 ( -2.222 0.000 5.996) 6.394 8.416 ( 2.294 0.000 -1.118) 2.552 8.488 ( 3.764 0.000 2.658) 4.608 8.503 ( 1.018 0.000 3.991) 4.119 8.508 ( 3.083 0.000 -7.981) 8.556 8.753 ( 4.303 0.000 1.550) 4.574 8.876 ( -5.251 0.000 2.053) 5.638 8.893 ( -5.277 0.000 2.505) 5.842 8.957 ( 7.392 0.000 -6.691) 9.971 8.998 ( 5.602 0.000 -1.568) 5.817 9.082 ( -0.363 0.000 3.414) 3.433 9.117 ( 6.798 0.000 -4.288) 8.037 9.267 ( -2.097 0.000 0.746) 2.225 9.403 ( -0.695 0.000 1.434) 1.594 9.516 ( 1.188 0.000 0.253) 1.215 9.516 ( -2.159 0.000 -2.359) 3.198 9.761 ( -9.263 0.000 1.262) 9.349 9.769 ( -5.220 0.000 -13.343) 14.327 9.923 ( 1.294 0.000 -0.410) 1.358 10.029 ( 3.767 0.000 -5.682) 6.817 10.042 ( 3.230 0.000 -3.693) 4.907 10.313 ( -2.702 0.000 -1.797) 3.244 10.345 ( 5.657 0.000 2.981) 6.394 10.366 ( -5.357 0.000 4.752) 7.160 10.533 ( -2.008 0.000 4.575) 4.996 10.793 ( -0.205 0.000 -0.885) 0.908 10.835 ( 1.807 0.000 -0.772) 1.965 10.951 ( -1.375 0.000 3.536) 3.794 11.011 ( -0.831 0.000 -1.682) 1.876 11.234 ( 0.824 0.000 -7.020) 7.068 11.364 ( 0.836 0.000 -0.182) 0.856 11.477 ( -2.376 0.000 -0.164) 2.381 11.949 ( -1.632 0.000 0.138) 1.638 12.009 ( 7.879 0.000 20.742) 22.188 12.065 ( 3.539 0.000 2.062) 4.096 12.188 ( 5.857 0.000 0.205) 5.861 12.212 ( 0.455 0.000 2.401) 2.444 12.278 ( -2.367 0.000 2.529) 3.464 12.280 ( -0.908 0.000 0.497) 1.035 12.394 ( 0.454 0.000 0.723) 0.853 12.524 ( -3.781 0.000 -1.869) 4.218 12.571 ( 4.540 0.000 -0.404) 4.558 12.790 ( -0.206 0.000 2.072) 2.083 12.873 ( -0.315 0.000 -1.616) 1.647 12.925 ( 0.890 0.000 -0.668) 1.112 13.051 ( -1.524 0.000 -0.629) 1.649 13.109 ( -0.104 0.000 7.059) 7.060 13.158 ( -6.591 0.000 -2.999) 7.242 13.171 ( 0.804 0.000 1.422) 1.633 13.194 ( -3.488 0.000 2.881) 4.525 13.349 ( -2.657 0.000 1.152) 2.896 13.424 ( -7.108 0.000 -2.625) 7.577 13.524 ( 1.379 0.000 -0.242) 1.400 13.641 ( -2.953 0.000 -1.919) 3.522 13.675 ( 5.881 0.000 2.480) 6.383 13.835 ( 5.628 0.000 1.118) 5.738 14.053 ( 5.995 0.000 -9.267) 11.037 14.309 ( 0.712 0.000 -1.871) 2.002 14.326 ( 2.139 0.000 -2.633) 3.392 14.347 ( -8.357 0.000 3.990) 9.260 14.613 ( 2.321 0.000 -1.088) 2.564 14.614 ( -2.965 0.000 -5.269) 6.046 14.756 ( 3.846 0.000 -1.210) 4.032 14.924 ( 6.185 0.000 0.114) 6.186 15.109 ( -3.106 0.000 -1.735) 3.558 15.268 ( 0.035 0.000 0.724) 0.725 15.384 ( -0.398 0.000 -1.629) 1.677 15.462 ( 0.267 0.000 3.285) 3.296 15.553 ( -1.415 0.000 1.775) 2.271 15.611 ( -0.387 0.000 -4.621) 4.637 15.919 ( 4.637 0.000 8.354) 9.555 16.125 ( 1.202 0.000 -1.864) 2.218 16.154 ( 4.054 0.000 -0.985) 4.172 16.264 ( 1.291 0.000 -3.351) 3.591 16.381 ( 4.338 0.000 -2.166) 4.849 16.420 ( -4.334 0.000 -5.081) 6.679 16.512 ( 8.137 0.000 9.675) 12.642 16.794 ( -7.050 0.000 -0.658) 7.080 16.845 ( -9.084 0.000 0.447) 9.095 17.013 ( 3.028 0.000 2.184) 3.733 19.256 ( 1.481 0.000 -2.379) 2.803 19.466 ( -2.019 0.000 -8.113) 8.360 19.550 ( -4.815 0.000 -5.747) 7.497 19.774 ( 0.812 0.000 -0.599) 1.009 20.844 ( -0.571 0.000 1.480) 1.587 21.058 ( -3.724 0.000 -0.491) 3.757 21.208 ( 3.374 0.000 6.914) 7.693 21.224 ( 2.121 0.000 1.209) 2.442 25.012 ( -1.222 0.000 1.315) 1.795 25.170 ( 10.932 0.000 12.185) 16.371 25.295 ( -1.486 0.000 1.470) 2.090 25.458 ( 0.004 0.000 10.442) 10.442 26.020 ( -1.913 0.000 -3.494) 3.983 26.070 ( 1.755 0.000 -4.147) 4.503 26.085 ( 0.588 0.000 3.594) 3.642 26.198 ( 0.669 0.000 5.449) 5.490 26.598 ( -11.261 0.000 -23.211) 25.798 26.635 ( -1.063 0.000 1.129) 1.551 26.929 ( 0.887 0.000 2.068) 2.250 27.153 ( -2.576 0.000 0.428) 2.611 27.226 ( -8.590 0.000 3.428) 9.249 27.344 ( -1.612 0.000 -0.425) 1.667 27.489 ( 2.645 0.000 2.226) 3.457 27.540 ( -1.264 0.000 -1.643) 2.072 27.605 ( 4.057 0.000 8.709) 9.608 27.642 ( 0.472 0.000 -0.892) 1.009 27.782 ( 2.763 0.000 -2.228) 3.550 27.999 ( 0.880 0.000 6.392) 6.452 28.153 ( 0.698 0.000 1.613) 1.757 28.220 ( 1.590 0.000 -3.940) 4.249 28.227 ( -1.624 0.000 -0.287) 1.649 28.278 ( -2.945 0.000 4.028) 4.989 28.492 ( 4.543 0.000 -2.180) 5.039 28.609 ( 2.219 0.000 1.965) 2.964 28.774 ( 5.046 0.000 0.119) 5.047 29.034 ( 1.824 0.000 4.156) 4.538 29.178 ( 10.371 0.000 17.734) 20.544 29.282 ( 7.902 0.000 -0.894) 7.952 29.424 ( 3.635 0.000 -2.419) 4.366 29.426 ( 2.121 0.000 -7.226) 7.531 29.812 ( -1.733 0.000 5.412) 5.683 29.815 ( -4.604 0.000 -12.802) 13.605 29.975 ( -3.372 0.000 2.902) 4.449 30.422 ( -8.504 0.000 -1.528) 8.640 30.731 ( -5.544 0.000 -7.147) 9.045 30.791 ( -1.205 0.000 3.861) 4.045 30.959 ( 2.668 0.000 3.353) 4.284 31.326 ( -9.790 0.000 -24.620) 26.495 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -3.709 24.288 17.382) 30.096 0.958 ( 11.450 16.389 31.790) 37.554 1.477 ( -6.586 29.766 41.412) 51.423 1.803 ( 10.031 -11.554 14.356) 20.981 1.973 ( 9.667 -1.848 -13.479) 16.689 2.177 ( 2.950 -11.425 -1.978) 11.964 2.241 ( 3.384 0.829 -3.178) 4.715 2.347 ( 3.808 -3.660 2.901) 6.026 2.436 ( 2.373 -1.471 -6.077) 6.688 2.465 ( 2.799 -0.094 4.128) 4.989 2.600 ( 1.368 0.550 -3.734) 4.015 2.722 ( 1.645 -0.947 1.390) 2.353 2.742 ( -3.310 3.910 0.041) 5.123 2.840 ( 1.873 2.008 2.827) 3.941 2.868 ( -3.624 1.839 0.911) 4.165 2.940 ( -4.382 -2.658 -1.797) 5.431 3.041 ( -3.919 -0.311 1.286) 4.137 3.052 ( 0.877 -1.904 4.609) 5.063 3.166 ( 2.166 3.869 1.892) 4.821 3.202 ( 1.185 0.206 -3.804) 3.990 3.297 ( 0.962 -1.168 -2.882) 3.255 3.350 ( -1.386 3.161 -3.977) 5.266 3.553 ( -3.838 1.498 4.300) 5.956 3.615 ( 5.602 -0.609 4.237) 7.050 3.681 ( 0.504 1.035 0.471) 1.244 3.815 ( 0.510 -2.371 0.415) 2.460 3.899 ( -0.307 -4.756 2.309) 5.296 3.979 ( -1.760 3.080 4.251) 5.537 4.005 ( -2.530 6.599 -2.135) 7.383 4.104 ( -4.212 -0.704 -0.336) 4.284 4.167 ( 0.539 2.709 -0.993) 2.935 4.276 ( -4.023 3.073 -3.606) 6.215 4.326 ( 3.420 -1.438 -5.560) 6.684 4.343 ( -2.677 0.381 -0.311) 2.722 4.451 ( 0.834 -0.699 -5.123) 5.237 4.515 ( 2.581 -3.587 1.333) 4.616 4.611 ( -3.893 -0.103 -5.066) 6.390 4.660 ( 4.180 -4.375 1.141) 6.157 4.728 ( 3.176 -3.629 1.232) 4.978 4.795 ( 0.468 4.786 -1.609) 5.071 4.894 ( -0.230 6.420 -1.925) 6.707 4.998 ( -0.081 -1.115 5.432) 5.546 5.046 ( 0.009 -4.924 -3.977) 6.329 5.089 ( -0.379 -2.777 0.478) 2.843 5.173 ( -2.587 -0.736 -7.994) 8.434 5.278 ( 0.487 1.579 -2.410) 2.922 5.375 ( -4.106 4.903 -4.720) 7.949 5.449 ( -1.217 2.223 -2.942) 3.883 5.467 ( 1.880 3.033 -1.812) 4.002 5.512 ( -3.354 -1.030 1.387) 3.773 5.602 ( -2.863 -1.369 1.210) 3.396 5.686 ( -4.914 -2.959 -2.588) 6.293 5.779 ( 1.052 -5.918 -3.209) 6.814 5.856 ( 0.921 -0.930 2.251) 2.604 5.920 ( 1.713 -2.597 -1.840) 3.614 5.972 ( 1.683 -1.735 -5.256) 5.785 6.048 ( 0.353 -2.914 -1.115) 3.140 6.104 ( 2.010 -3.121 -3.624) 5.188 6.165 ( -0.806 -1.765 1.521) 2.465 6.288 ( 1.244 -3.451 2.473) 4.424 6.370 ( -3.128 2.427 0.801) 4.039 6.411 ( 2.358 6.121 -8.920) 11.072 6.526 ( 0.463 0.891 0.635) 1.189 6.574 ( -0.785 -0.761 1.833) 2.134 6.774 ( 1.641 0.846 5.864) 6.148 6.868 ( -2.584 -2.932 6.939) 7.964 6.978 ( 3.402 -0.109 0.882) 3.516 7.105 ( 2.846 1.716 1.184) 3.528 7.264 ( -2.059 3.471 -0.719) 4.100 7.358 ( -0.048 7.060 -1.252) 7.171 7.411 ( 6.176 1.145 -1.076) 6.372 7.490 ( -2.677 1.587 -0.697) 3.190 7.680 ( 0.012 0.115 3.437) 3.439 7.739 ( 2.735 0.855 0.997) 3.034 7.831 ( -0.349 0.882 2.481) 2.657 7.960 ( 0.834 -1.106 -2.570) 2.919 8.271 ( 1.729 -8.866 10.592) 13.920 8.382 ( 0.248 -2.692 -0.528) 2.754 8.522 ( -2.487 1.874 -0.745) 3.202 8.594 ( 10.742 7.349 -3.729) 13.539 8.633 ( 2.160 5.771 -1.068) 6.254 8.776 ( -2.059 -0.982 -0.485) 2.332 8.807 ( -5.685 0.530 -0.261) 5.716 8.875 ( -7.889 -4.140 -0.724) 8.938 8.901 ( -1.365 4.259 -1.949) 4.878 9.022 ( 10.098 -5.902 -1.146) 11.752 9.095 ( 2.423 -3.128 -0.420) 3.979 9.183 ( 2.820 1.463 -3.007) 4.374 9.273 ( -2.532 0.078 -0.566) 2.596 9.303 ( -5.189 -3.915 0.847) 6.556 9.395 ( -3.505 1.878 0.678) 4.033 9.464 ( -1.771 0.861 4.450) 4.866 9.598 ( 3.493 2.239 -0.834) 4.232 9.737 ( -2.704 5.764 3.040) 7.056 9.841 ( 1.251 -9.531 -4.945) 10.810 10.033 ( 2.282 -1.586 1.275) 3.058 10.116 ( 4.635 0.940 -5.406) 7.183 10.220 ( -2.433 -3.530 -1.595) 4.574 10.313 ( -3.964 -1.312 5.188) 6.659 10.376 ( -0.646 0.359 1.014) 1.255 10.601 ( 3.129 -5.337 6.175) 8.740 10.760 ( 0.758 -3.280 -0.366) 3.386 10.857 ( 0.047 -5.906 3.000) 6.625 10.901 ( -0.200 -2.276 1.897) 2.970 11.051 ( 3.290 0.610 1.426) 3.637 11.146 ( 1.685 -0.643 -4.982) 5.298 11.332 ( -3.309 -0.142 -5.231) 6.191 11.385 ( -2.872 -1.053 -2.909) 4.221 11.897 ( -4.246 -3.795 7.165) 9.152 11.968 ( -0.209 1.421 -0.327) 1.473 12.143 ( -1.105 -4.193 1.615) 4.627 12.238 ( 1.632 -2.751 2.102) 3.827 12.269 ( 3.609 3.512 5.116) 7.179 12.349 ( -1.679 5.131 4.443) 6.992 12.403 ( -4.035 1.951 1.079) 4.610 12.440 ( 5.452 3.368 2.651) 6.935 12.546 ( -1.724 2.485 0.416) 3.053 12.654 ( 1.468 4.085 -4.158) 6.011 12.785 ( -1.891 -1.778 -0.615) 2.667 12.869 ( -0.167 -4.586 -4.926) 6.732 12.912 ( 1.988 -3.143 -1.150) 3.892 13.001 ( 0.986 -1.241 -3.467) 3.813 13.088 ( -1.436 1.471 -0.161) 2.062 13.106 ( -8.468 -1.399 4.364) 9.628 13.209 ( 2.211 1.385 -2.235) 3.436 13.266 ( -1.121 1.361 5.373) 5.654 13.335 ( -1.860 1.935 -1.385) 3.020 13.488 ( 7.008 -0.879 3.943) 8.089 13.528 ( 1.573 -3.297 4.323) 5.660 13.700 ( -1.209 -2.002 -0.560) 2.404 13.715 ( 4.562 5.747 -2.507) 7.754 13.949 ( -2.366 -5.853 -2.510) 6.793 14.035 ( 12.333 1.856 1.259) 12.535 14.258 ( -2.660 -3.693 0.590) 4.589 14.332 ( -4.299 10.652 -0.250) 11.490 14.400 ( 2.529 4.541 -0.028) 5.198 14.584 ( 0.485 3.023 -6.327) 7.029 14.628 ( 0.658 6.648 -7.220) 9.836 14.801 ( -4.985 -0.452 4.577) 6.783 14.973 ( 2.823 -1.122 -6.181) 6.888 15.124 ( 2.657 8.985 -6.944) 11.662 15.312 ( -2.378 3.378 -2.478) 4.817 15.382 ( 1.902 1.939 -1.849) 3.286 15.462 ( -3.196 2.865 -4.502) 6.220 15.582 ( -1.213 6.774 1.165) 6.980 15.621 ( 0.570 3.315 1.303) 3.607 15.838 ( -16.525 -5.112 1.723) 17.383 16.069 ( -1.920 -4.619 -1.067) 5.115 16.091 ( -4.325 -0.903 7.091) 8.355 16.175 ( -0.483 1.297 0.468) 1.461 16.302 ( -0.015 -10.824 -2.148) 11.035 16.372 ( 2.568 0.281 -2.097) 3.328 16.628 ( -0.189 2.574 -1.268) 2.876 16.677 ( 0.184 -0.618 -2.625) 2.703 16.788 ( -1.860 2.767 -1.224) 3.552 16.810 ( -3.541 4.032 -3.568) 6.444 19.135 ( -3.200 3.097 0.622) 4.496 19.286 ( 0.928 3.809 -3.937) 5.556 19.505 ( 0.131 -5.441 2.688) 6.071 19.720 ( 0.317 -5.539 -4.706) 7.276 20.915 ( -0.100 5.886 2.067) 6.239 21.042 ( -0.798 3.388 -1.579) 3.822 21.238 ( 0.503 -2.044 1.562) 2.621 21.325 ( 2.028 -8.855 4.123) 9.976 25.009 ( -0.663 0.487 1.582) 1.783 25.132 ( -3.698 -7.189 3.714) 8.897 25.349 ( 1.084 -0.058 3.443) 3.610 25.420 ( -3.084 -2.746 4.145) 5.851 26.002 ( -0.779 3.406 -5.121) 6.199 26.050 ( -0.877 1.517 -3.662) 4.059 26.189 ( -2.691 2.855 0.275) 3.933 26.204 ( -0.234 0.512 2.448) 2.512 26.581 ( 12.834 -1.331 6.841) 14.604 26.695 ( 4.478 -0.713 0.694) 4.587 27.015 ( 0.796 3.550 2.920) 4.665 27.105 ( -5.401 0.117 -1.749) 5.679 27.116 ( -1.098 0.334 -1.862) 2.187 27.318 ( -0.212 0.070 -0.138) 0.262 27.373 ( -3.713 -5.182 4.503) 7.805 27.507 ( 0.296 0.127 -1.930) 1.957 27.534 ( -0.231 2.475 -0.558) 2.548 27.724 ( -2.395 4.726 -6.988) 8.770 27.859 ( 0.969 0.828 0.728) 1.468 28.099 ( -3.168 -4.468 -2.407) 5.983 28.179 ( -1.942 3.787 -0.238) 4.263 28.220 ( 0.399 2.673 -2.258) 3.522 28.347 ( 0.762 3.410 2.773) 4.461 28.439 ( 5.837 -4.603 2.842) 7.958 28.501 ( 0.459 -3.067 -1.543) 3.464 28.573 ( 0.812 -4.501 0.113) 4.575 28.837 ( -2.240 -4.137 4.667) 6.626 28.940 ( 1.624 -5.502 1.116) 5.844 29.149 ( -11.285 2.499 5.510) 12.805 29.390 ( 1.022 3.424 -2.792) 4.534 29.473 ( 5.757 -1.171 -1.228) 6.002 29.525 ( -2.417 1.097 -5.981) 6.544 29.803 ( -3.706 2.072 3.307) 5.382 29.911 ( 17.367 -0.492 1.473) 17.436 30.020 ( -2.062 2.490 5.772) 6.616 30.226 ( -2.726 -6.948 5.732) 9.411 30.706 ( 3.529 0.919 -1.239) 3.852 30.753 ( -2.723 1.635 -1.466) 3.498 30.962 ( -0.897 -1.790 -1.092) 2.281 31.107 ( 8.960 -2.184 -6.495) 11.281 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 10.634 19.902 13.616) 26.354 1.201 ( -3.193 27.130 21.453) 34.734 1.983 ( 10.761 -2.927 -10.901) 15.595 2.114 ( 7.404 -1.137 -3.258) 8.169 2.159 ( 4.319 -6.608 3.146) 8.498 2.198 ( 17.374 2.446 28.347) 33.337 2.297 ( 4.080 -1.149 -9.082) 10.023 2.347 ( -0.515 0.057 -9.865) 9.878 2.457 ( 0.688 -3.840 10.120) 10.846 2.500 ( -0.607 -1.822 -3.592) 4.073 2.549 ( -5.023 3.032 -1.353) 6.021 2.710 ( -2.461 -0.230 3.457) 4.250 2.733 ( -0.505 -7.191 1.509) 7.365 2.798 ( -4.518 -1.641 1.075) 4.925 2.887 ( 0.702 3.054 3.045) 4.369 2.915 ( 1.615 4.190 1.336) 4.685 3.001 ( 1.103 4.573 1.396) 4.907 3.056 ( -1.809 -3.038 -3.126) 4.719 3.171 ( -1.252 -3.490 -2.462) 4.450 3.219 ( -2.921 2.469 0.714) 3.891 3.272 ( 6.372 1.280 -5.053) 8.233 3.322 ( 0.586 2.947 1.485) 3.352 3.545 ( -2.499 -0.484 6.761) 7.225 3.678 ( 0.107 0.524 -2.026) 2.095 3.756 ( 2.963 0.021 -0.907) 3.099 3.844 ( -3.913 5.171 -9.325) 11.358 3.911 ( 2.540 -3.068 7.930) 8.874 3.969 ( 5.857 -1.090 1.633) 6.177 4.021 ( 3.222 1.664 7.715) 8.525 4.077 ( 1.100 3.709 2.478) 4.594 4.123 ( -5.593 1.540 -2.461) 6.302 4.172 ( 0.092 5.513 -8.633) 10.244 4.284 ( 0.223 -0.458 1.848) 1.917 4.357 ( 1.418 1.618 -4.927) 5.376 4.453 ( 1.207 -2.153 3.547) 4.321 4.493 ( -3.194 -2.680 -3.812) 5.650 4.521 ( -1.397 -4.652 -0.726) 4.911 4.697 ( -3.674 -2.428 0.708) 4.460 4.748 ( -0.653 -3.514 2.797) 4.538 4.823 ( 0.653 0.169 -1.840) 1.960 4.900 ( 2.268 -1.855 2.907) 4.128 4.969 ( -0.431 -3.049 -5.074) 5.935 5.024 ( -4.336 1.202 3.731) 5.846 5.072 ( -1.839 1.233 -0.674) 2.315 5.121 ( 2.259 3.404 -1.790) 4.460 5.223 ( 0.771 4.149 -7.332) 8.460 5.264 ( -3.849 4.547 -2.751) 6.562 5.359 ( -2.573 -0.152 -4.759) 5.412 5.415 ( -2.750 1.440 -3.038) 4.344 5.516 ( 2.140 0.342 -1.666) 2.733 5.579 ( -1.416 -2.074 0.568) 2.575 5.619 ( -2.739 -2.593 2.786) 4.689 5.759 ( -1.349 -6.396 -1.657) 6.743 5.875 ( -0.130 -3.370 -3.175) 4.632 5.907 ( -1.132 -3.256 2.098) 4.036 5.957 ( 0.874 2.222 -3.121) 3.930 6.046 ( 2.429 -3.242 -6.718) 7.845 6.053 ( 0.016 -2.316 -2.198) 3.193 6.193 ( -0.032 -1.210 4.520) 4.679 6.282 ( -3.039 -3.204 -2.979) 5.327 6.335 ( -0.382 0.409 -0.319) 0.644 6.381 ( 0.098 1.638 1.588) 2.283 6.547 ( -0.154 -0.838 1.513) 1.737 6.590 ( -1.373 0.814 2.971) 3.372 6.774 ( -3.976 -0.978 3.193) 5.193 6.945 ( -3.427 -3.265 4.127) 6.280 7.007 ( 2.079 0.869 2.311) 3.228 7.188 ( 2.454 3.529 -1.001) 4.413 7.223 ( 0.195 7.083 0.308) 7.092 7.317 ( -0.734 5.876 -3.485) 6.871 7.452 ( 0.467 0.751 -3.250) 3.368 7.498 ( 2.965 -3.396 2.135) 4.989 7.730 ( 1.143 0.764 4.539) 4.742 7.766 ( -0.851 1.365 1.535) 2.224 7.862 ( 0.463 -1.231 1.397) 1.918 7.901 ( -1.446 1.669 -3.945) 4.521 8.325 ( -1.404 -9.851 2.752) 10.324 8.409 ( -1.442 -3.171 -1.280) 3.712 8.424 ( -5.198 3.130 1.160) 6.177 8.573 ( -4.644 5.906 -0.855) 7.562 8.607 ( -12.901 0.212 0.231) 12.904 8.684 ( 0.217 4.319 -1.034) 4.446 8.769 ( 3.001 1.129 -3.244) 4.562 8.823 ( 0.129 -2.203 0.325) 2.231 8.889 ( 1.493 1.509 -1.581) 2.647 9.100 ( 0.332 -4.645 0.775) 4.721 9.115 ( -0.446 2.899 -3.323) 4.433 9.148 ( -4.087 0.688 -1.727) 4.489 9.224 ( -0.880 -0.250 -0.982) 1.342 9.271 ( -0.099 -1.713 0.380) 1.757 9.436 ( 5.931 -1.180 3.119) 6.804 9.511 ( 0.890 -0.088 3.140) 3.265 9.653 ( 2.800 -0.498 -0.968) 3.004 9.750 ( 2.356 5.570 0.310) 6.056 9.822 ( 1.459 -9.068 -2.874) 9.623 10.071 ( 0.686 0.827 0.345) 1.128 10.128 ( 3.998 0.634 -5.517) 6.843 10.163 ( -1.641 -2.330 -2.789) 3.988 10.295 ( -2.732 -0.256 2.275) 3.564 10.376 ( -0.686 0.352 1.885) 2.037 10.699 ( -0.154 -5.884 6.123) 8.493 10.758 ( -0.350 -2.769 -1.162) 3.024 10.860 ( -0.734 -6.257 1.413) 6.456 10.932 ( 0.446 -4.745 1.553) 5.013 11.064 ( 0.161 0.949 -5.401) 5.486 11.210 ( -2.750 2.988 -4.737) 6.239 11.218 ( 4.471 1.718 4.944) 6.884 11.276 ( -5.055 -1.386 -3.558) 6.335 11.916 ( 0.413 -1.067 3.474) 3.657 11.991 ( 1.160 -2.394 2.661) 3.763 12.125 ( -1.377 -1.362 0.275) 1.956 12.247 ( -2.076 -1.552 1.148) 2.835 12.332 ( -0.815 0.157 0.908) 1.230 12.377 ( -1.176 3.632 3.687) 5.308 12.409 ( 0.704 3.700 6.769) 7.746 12.481 ( -0.742 2.265 -0.212) 2.393 12.533 ( 0.559 6.792 -0.022) 6.815 12.651 ( 2.641 -2.550 -0.014) 3.671 12.760 ( -1.348 1.885 1.274) 2.644 12.828 ( 0.702 -2.964 -3.559) 4.685 12.910 ( 0.556 -2.392 -2.985) 3.865 12.967 ( -7.058 -3.658 4.728) 9.249 13.018 ( -0.714 1.621 -2.178) 2.807 13.098 ( 2.495 -2.069 1.734) 3.676 13.213 ( -1.092 0.198 -1.148) 1.597 13.297 ( -2.900 2.836 2.233) 4.630 13.333 ( 3.359 1.735 3.945) 5.464 13.527 ( -9.042 -5.118 -3.579) 10.990 13.561 ( 2.348 -4.804 0.574) 5.378 13.620 ( 1.339 -3.516 2.384) 4.455 13.803 ( 4.213 6.397 -0.636) 7.686 13.891 ( -2.871 1.611 -1.410) 3.581 14.221 ( 1.431 1.135 -0.684) 1.950 14.256 ( 2.234 0.888 0.415) 2.439 14.352 ( 2.883 5.775 1.549) 6.638 14.432 ( 0.180 0.923 -1.024) 1.391 14.468 ( 1.182 2.077 -6.361) 6.795 14.582 ( 4.775 7.797 -7.940) 12.109 14.739 ( -6.314 2.339 3.861) 7.762 14.925 ( -0.775 1.004 -4.733) 4.900 15.117 ( -1.916 1.896 -0.448) 2.732 15.226 ( -0.669 5.052 -3.447) 6.152 15.381 ( -0.113 3.680 -3.412) 5.020 15.404 ( 0.363 2.503 0.338) 2.552 15.571 ( -2.641 5.109 1.973) 6.080 15.629 ( -1.057 5.558 0.630) 5.692 15.693 ( -4.739 -1.723 7.431) 8.980 15.995 ( -1.912 -4.302 -3.263) 5.728 16.040 ( -6.178 3.432 3.495) 7.885 16.211 ( 1.566 3.145 1.912) 4.000 16.287 ( -0.969 -10.898 -0.367) 10.947 16.434 ( 4.813 -1.888 0.634) 5.209 16.601 ( -0.179 2.337 1.344) 2.702 16.742 ( 8.193 -0.699 -3.442) 8.914 16.812 ( 4.921 -2.541 0.527) 5.564 16.832 ( 3.928 0.477 -2.156) 4.506 19.142 ( 1.772 0.838 -0.692) 2.078 19.283 ( 2.620 3.121 -2.655) 4.863 19.525 ( -1.372 -5.358 3.497) 6.544 19.678 ( -0.426 -4.677 -3.699) 5.978 20.945 ( 1.007 4.864 2.176) 5.423 21.041 ( 2.123 4.042 -1.757) 4.892 21.217 ( -3.605 -2.851 1.076) 4.721 21.345 ( -1.816 -4.857 0.210) 5.189 25.020 ( -0.203 0.822 2.127) 2.290 25.095 ( -2.527 -1.685 1.982) 3.627 25.413 ( 0.855 -1.689 1.911) 2.690 25.460 ( 3.800 -2.817 5.287) 7.094 25.947 ( -0.894 3.909 -1.970) 4.467 26.005 ( 0.046 2.465 -3.260) 4.087 26.194 ( -0.127 1.069 2.188) 2.439 26.214 ( -0.789 0.628 1.519) 1.823 26.727 ( 1.106 -0.110 -0.644) 1.284 26.855 ( 9.087 -5.447 -0.536) 10.608 27.038 ( 0.332 0.919 3.533) 3.665 27.084 ( 4.042 0.267 0.315) 4.064 27.104 ( 1.998 1.183 -1.112) 2.575 27.313 ( 0.621 2.067 -1.102) 2.423 27.335 ( -4.304 -4.417 4.544) 7.660 27.505 ( 0.946 -0.668 -1.141) 1.626 27.540 ( 0.589 3.606 -0.332) 3.668 27.643 ( 0.371 8.058 -3.338) 8.730 27.912 ( 0.055 -3.545 3.315) 4.854 27.997 ( -2.806 -2.908 -5.146) 6.543 28.119 ( -3.608 4.441 -0.618) 5.755 28.222 ( 1.673 3.117 -0.347) 3.554 28.354 ( -1.215 2.584 -0.537) 2.906 28.458 ( -2.574 -3.920 -0.820) 4.761 28.499 ( -1.928 -7.579 4.408) 8.977 28.585 ( 0.766 -1.477 -0.533) 1.746 28.801 ( -4.856 -1.601 2.546) 5.712 28.887 ( -8.584 -5.358 0.398) 10.127 29.067 ( -5.028 3.614 5.297) 8.148 29.282 ( -10.935 1.811 -0.985) 11.128 29.438 ( -2.870 1.098 -3.053) 4.332 29.567 ( 4.770 2.836 -4.910) 7.410 29.797 ( 3.026 5.034 2.417) 6.351 30.007 ( -4.457 2.493 4.246) 6.641 30.073 ( 2.231 -2.031 1.982) 3.610 30.311 ( 4.367 -7.545 1.435) 8.835 30.561 ( -8.633 -0.524 -4.585) 9.789 30.838 ( -1.382 -6.645 0.956) 6.854 30.939 ( 11.013 5.687 -1.490) 12.484 31.333 ( 16.890 -6.598 -7.865) 19.765 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 3.532 21.189 10.319) 23.832 1.403 ( 13.243 13.177 8.510) 20.529 1.870 ( -10.888 2.368 -27.360) 29.542 1.992 ( 1.602 -0.188 -15.153) 15.239 2.056 ( -1.442 -2.269 -5.877) 6.463 2.160 ( -5.180 -2.944 -2.067) 6.307 2.228 ( -9.409 0.080 -6.438) 11.401 2.313 ( -1.723 -0.461 -10.982) 11.126 2.420 ( 2.959 -6.987 -6.964) 10.299 2.610 ( 1.990 -0.222 3.605) 4.124 2.650 ( -5.966 -1.836 -0.383) 6.253 2.719 ( 1.402 -8.946 3.454) 9.691 2.788 ( -2.806 -2.423 1.705) 4.081 2.822 ( 1.769 2.067 4.137) 4.951 2.930 ( 5.765 2.116 7.651) 9.810 2.991 ( 2.252 2.273 -0.744) 3.285 3.049 ( -0.448 3.560 3.476) 4.996 3.106 ( 2.168 -5.310 7.340) 9.315 3.146 ( 4.274 7.150 9.723) 12.803 3.180 ( -0.418 1.271 1.643) 2.119 3.360 ( 8.876 -1.517 -3.034) 9.502 3.380 ( 2.357 5.531 2.022) 6.343 3.607 ( -0.033 -0.935 6.933) 6.996 3.648 ( 0.880 2.154 -2.939) 3.748 3.741 ( -1.460 0.010 -2.204) 2.643 3.752 ( 3.107 2.975 -4.323) 6.098 3.953 ( -0.425 -1.575 -12.368) 12.475 3.993 ( -1.056 3.824 4.346) 5.884 4.073 ( 5.082 2.122 3.734) 6.654 4.118 ( 2.602 6.228 0.187) 6.752 4.163 ( 4.642 3.759 -1.218) 6.096 4.251 ( -0.002 4.532 -7.397) 8.674 4.301 ( 3.141 -3.119 6.115) 7.549 4.357 ( -0.860 0.532 5.934) 6.019 4.404 ( -0.860 -1.779 0.897) 2.170 4.518 ( 2.403 -8.054 0.991) 8.463 4.552 ( 2.406 -1.889 3.431) 4.597 4.633 ( -3.782 -5.082 -0.860) 6.393 4.677 ( -4.230 -1.683 -2.281) 5.092 4.822 ( -2.215 1.381 2.324) 3.495 4.881 ( -1.805 -4.857 -0.698) 5.229 4.969 ( -5.482 1.521 3.822) 6.854 4.983 ( -1.761 0.685 0.961) 2.120 5.035 ( -1.883 0.847 -3.086) 3.713 5.128 ( 2.978 3.930 0.964) 5.024 5.198 ( 2.900 0.401 -4.455) 5.331 5.264 ( 1.361 3.385 2.882) 4.649 5.297 ( -1.331 -0.517 -0.841) 1.657 5.353 ( -0.104 1.842 -2.650) 3.229 5.521 ( -2.651 -0.972 0.541) 2.874 5.556 ( 0.304 -2.467 -4.977) 5.563 5.605 ( -2.294 -2.529 4.003) 5.261 5.712 ( -2.955 -3.915 1.348) 5.087 5.812 ( -1.438 -3.761 -5.073) 6.477 5.882 ( -3.402 0.706 1.602) 3.826 5.918 ( -1.210 0.379 -1.284) 1.805 6.041 ( 0.425 -2.329 -0.444) 2.409 6.090 ( 6.258 -1.892 -4.133) 7.734 6.183 ( -4.202 -4.261 -0.797) 6.038 6.260 ( 0.767 -0.593 4.673) 4.772 6.326 ( -0.044 -2.483 0.081) 2.485 6.401 ( 0.009 -2.013 0.845) 2.183 6.523 ( -4.110 0.369 0.936) 4.231 6.599 ( -0.137 -0.627 2.016) 2.116 6.728 ( -3.759 0.099 0.648) 3.816 6.865 ( -5.811 3.344 1.425) 6.855 7.056 ( -0.775 -1.551 -0.419) 1.784 7.135 ( -1.390 3.835 -2.003) 4.544 7.272 ( -0.241 4.411 1.588) 4.695 7.292 ( 2.033 3.354 -1.666) 4.261 7.417 ( 0.491 1.099 -4.525) 4.682 7.597 ( 5.102 -5.474 2.749) 7.972 7.708 ( -5.242 1.729 -1.854) 5.823 7.780 ( 0.952 1.703 0.821) 2.117 7.865 ( 0.921 0.442 -0.254) 1.053 7.903 ( 0.409 -2.477 2.592) 3.608 8.282 ( -5.403 -2.913 -0.974) 6.215 8.318 ( -6.885 6.074 1.625) 9.324 8.365 ( -4.139 -4.426 -0.875) 6.123 8.410 ( -4.415 1.999 -1.731) 5.146 8.504 ( -3.163 3.899 -0.218) 5.025 8.707 ( 0.146 3.001 1.298) 3.273 8.714 ( -4.825 -3.299 -2.446) 6.337 8.849 ( 3.462 -1.096 -3.033) 4.731 8.901 ( 0.837 1.847 -0.721) 2.152 8.994 ( -6.151 2.814 -1.324) 6.893 9.099 ( -0.511 1.754 -0.260) 1.846 9.116 ( -2.661 -0.129 5.755) 6.342 9.251 ( 5.343 -1.165 -2.472) 6.001 9.285 ( 0.689 -1.127 0.874) 1.584 9.526 ( -2.063 -0.975 1.567) 2.768 9.570 ( 5.450 -3.005 1.961) 6.525 9.665 ( -0.817 -1.721 0.628) 2.006 9.811 ( 1.927 3.268 -0.309) 3.807 9.820 ( 4.049 -8.118 -3.977) 9.905 10.054 ( -2.655 2.085 0.812) 3.472 10.117 ( 0.730 2.253 -3.332) 4.088 10.185 ( 7.301 -1.081 -3.262) 8.069 10.265 ( -1.822 1.218 -0.151) 2.197 10.385 ( -0.535 -0.237 1.751) 1.846 10.707 ( -4.863 -4.608 4.667) 8.165 10.740 ( 0.287 -3.293 -2.966) 4.441 10.863 ( 1.349 -8.076 -3.011) 8.724 10.941 ( -1.551 -5.430 3.914) 6.871 10.977 ( -1.704 3.251 -5.320) 6.463 11.136 ( -4.071 1.020 -1.562) 4.478 11.208 ( 2.773 6.281 -0.802) 6.913 11.357 ( 2.978 2.063 5.633) 6.698 11.958 ( 1.430 -0.655 0.729) 1.734 12.028 ( -0.844 -3.803 3.173) 5.025 12.123 ( 0.555 1.976 -0.279) 2.071 12.216 ( -1.652 2.574 1.659) 3.480 12.356 ( 2.589 -0.839 -0.257) 2.734 12.363 ( -1.228 -2.443 -0.009) 2.735 12.446 ( 0.188 2.918 1.813) 3.441 12.488 ( -1.269 -2.027 0.807) 2.524 12.588 ( 3.611 2.833 2.789) 5.370 12.703 ( 2.574 -3.444 -0.077) 4.300 12.749 ( -3.213 -2.567 1.970) 4.560 12.812 ( -1.274 -1.175 0.107) 1.736 12.847 ( -2.332 -0.301 -0.878) 2.509 12.942 ( -2.091 -2.334 4.209) 5.247 13.026 ( 3.143 1.663 -2.447) 4.317 13.137 ( -4.150 -1.913 -2.621) 5.268 13.181 ( 1.150 -2.141 2.665) 3.606 13.266 ( -4.285 1.720 3.175) 5.604 13.331 ( -4.581 -5.976 -1.821) 7.747 13.451 ( 4.113 0.119 4.566) 6.147 13.613 ( 3.853 -0.250 -2.308) 4.498 13.688 ( 5.150 -0.957 -1.286) 5.394 13.827 ( 0.487 6.105 -2.400) 6.578 13.837 ( -0.937 3.504 -2.005) 4.144 14.093 ( -8.024 5.884 -5.819) 11.527 14.183 ( -6.994 2.237 -1.926) 7.592 14.364 ( -1.286 -2.384 1.052) 2.906 14.420 ( 0.569 -1.618 -2.449) 2.991 14.590 ( 8.079 3.749 -1.710) 9.069 14.648 ( 4.006 9.254 1.195) 10.155 14.692 ( -1.084 -1.051 3.430) 3.748 14.875 ( 0.953 2.561 -4.216) 5.024 15.051 ( -1.399 -0.316 -1.830) 2.325 15.248 ( 1.325 5.422 2.020) 5.936 15.367 ( 1.165 0.454 -1.203) 1.735 15.425 ( 0.369 2.883 2.734) 3.990 15.539 ( -2.688 2.967 0.663) 4.059 15.607 ( -3.343 5.235 2.623) 6.742 15.718 ( 0.056 1.013 3.700) 3.837 15.949 ( -4.921 1.818 2.252) 5.709 15.980 ( -0.042 -1.109 -0.789) 1.362 16.234 ( -3.963 -6.443 -0.860) 7.613 16.291 ( 4.052 2.143 2.737) 5.339 16.510 ( 1.738 -1.544 1.471) 2.752 16.635 ( 2.369 -2.590 0.874) 3.617 16.851 ( 8.492 -1.232 -5.127) 9.996 16.864 ( 2.526 -2.618 -1.946) 4.126 16.922 ( 6.121 -4.061 1.342) 7.468 19.170 ( 1.627 0.667 0.340) 1.791 19.319 ( 3.016 2.107 -0.029) 3.679 19.524 ( -2.969 -5.054 3.511) 6.833 19.628 ( -0.914 -3.540 -3.666) 5.178 20.989 ( 2.092 2.341 1.257) 3.382 21.054 ( 0.557 4.315 -1.803) 4.710 21.168 ( -2.065 -1.863 0.861) 2.912 21.291 ( -3.910 -0.504 -0.328) 3.956 25.039 ( -0.280 0.756 1.980) 2.138 25.086 ( -0.248 -0.415 0.445) 0.657 25.441 ( 1.269 -0.769 0.217) 1.499 25.585 ( 3.648 -5.779 4.353) 8.102 25.928 ( -0.259 3.289 -0.238) 3.308 25.988 ( 0.355 2.953 -0.825) 3.087 26.205 ( -0.936 0.968 0.952) 1.649 26.210 ( -0.783 0.930 0.969) 1.555 26.690 ( 0.679 1.783 -6.073) 6.366 26.908 ( 3.399 -3.641 -7.010) 8.600 27.122 ( 0.888 -0.913 -1.140) 1.709 27.155 ( 5.527 -1.996 2.564) 6.411 27.201 ( 4.164 -1.151 7.345) 8.521 27.322 ( -1.238 -0.227 6.969) 7.082 27.380 ( 4.798 -2.415 1.217) 5.507 27.496 ( -0.971 -2.131 -0.547) 2.405 27.554 ( 3.745 6.315 -1.506) 7.494 27.655 ( -0.858 9.679 3.838) 10.448 27.839 ( -1.984 -2.218 -6.895) 7.510 28.004 ( 0.336 -0.526 3.060) 3.124 28.070 ( -1.043 5.050 1.266) 5.310 28.227 ( -1.338 1.609 -3.080) 3.724 28.310 ( -0.586 2.008 -1.919) 2.839 28.421 ( -1.031 -2.604 -0.307) 2.818 28.491 ( -3.001 -4.720 3.725) 6.720 28.579 ( -1.260 -2.206 -0.805) 2.665 28.704 ( -9.269 -6.571 -2.372) 11.607 28.734 ( -6.767 -3.109 2.160) 7.754 28.989 ( -7.817 3.575 -1.175) 8.676 29.068 ( -11.296 7.479 2.614) 13.797 29.350 ( -3.103 -0.488 -2.471) 3.997 29.596 ( 4.398 0.149 -3.981) 5.934 29.903 ( 4.731 2.027 0.271) 5.154 29.970 ( -1.582 3.570 -0.161) 3.908 30.119 ( -2.604 -1.886 7.856) 8.488 30.323 ( -2.439 -6.922 0.088) 7.340 30.383 ( -5.654 1.521 -5.377) 7.950 30.850 ( 1.919 -8.602 3.789) 9.593 31.169 ( 14.027 5.181 -1.741) 15.055 31.479 ( 9.661 -3.483 -7.797) 12.894 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 4.652 7.201 -8.328) 11.953 1.621 ( 3.267 7.881 3.447) 9.201 1.659 ( 7.722 7.194 0.121) 10.554 1.858 ( -1.894 -2.655 -3.186) 4.559 1.939 ( -6.598 -0.069 2.514) 7.061 2.047 ( -6.636 1.542 1.098) 6.901 2.113 ( 2.754 0.952 -1.220) 3.159 2.308 ( 14.977 4.371 -15.752) 22.171 2.392 ( -1.234 -6.784 -2.509) 7.338 2.526 ( -4.920 -0.557 1.295) 5.118 2.618 ( -0.689 -1.149 -2.442) 2.785 2.738 ( -2.050 -2.414 -1.040) 3.334 2.782 ( -0.397 -4.846 3.552) 6.021 2.803 ( 1.379 -0.923 -1.469) 2.217 2.990 ( -4.595 3.522 1.016) 5.878 3.059 ( 1.927 5.919 4.421) 7.635 3.095 ( -0.911 -3.850 6.799) 7.867 3.144 ( -2.223 1.000 7.757) 8.131 3.173 ( -0.442 3.665 2.261) 4.329 3.363 ( 2.622 -0.020 3.622) 4.472 3.435 ( 2.678 -0.619 -1.447) 3.106 3.470 ( 3.711 -1.744 -1.092) 4.244 3.596 ( -3.509 4.663 2.812) 6.478 3.714 ( 4.932 0.630 1.943) 5.338 3.766 ( 9.749 -0.156 -5.533) 11.211 3.822 ( 4.517 -1.793 -2.737) 5.578 3.896 ( 4.224 4.034 -2.300) 6.277 4.023 ( -1.850 8.586 2.793) 9.217 4.116 ( -3.662 1.556 -1.257) 4.173 4.129 ( -2.060 2.330 -2.653) 4.088 4.157 ( 2.656 3.661 -7.415) 8.686 4.220 ( -0.974 4.261 -3.308) 5.482 4.244 ( 1.514 -5.858 0.375) 6.062 4.408 ( -0.479 3.221 2.989) 4.420 4.484 ( 1.444 2.193 0.909) 2.779 4.525 ( -3.703 -4.223 -1.726) 5.876 4.546 ( -3.353 -0.788 -3.326) 4.788 4.617 ( 3.356 -1.299 -1.975) 4.105 4.641 ( 2.064 -4.716 1.708) 5.424 4.806 ( -5.107 -6.729 2.689) 8.865 4.842 ( -2.689 0.672 4.909) 5.638 4.895 ( -4.332 -3.522 -0.745) 5.633 4.956 ( -2.670 -2.937 -1.290) 4.174 5.031 ( 4.729 3.151 0.331) 5.692 5.152 ( 0.351 2.424 -2.324) 3.376 5.190 ( -3.017 3.392 -0.253) 4.546 5.277 ( -0.398 0.108 2.920) 2.949 5.337 ( 1.041 1.555 2.997) 3.533 5.354 ( 3.493 0.244 -3.659) 5.064 5.462 ( -3.701 -0.376 2.024) 4.235 5.504 ( 0.183 -3.583 -1.874) 4.048 5.612 ( -2.721 -3.319 2.207) 4.826 5.672 ( -2.308 1.835 1.386) 3.258 5.766 ( 0.669 -2.195 -2.569) 3.445 5.855 ( -1.797 -1.380 -0.430) 2.306 5.913 ( -0.819 -0.448 4.286) 4.386 6.040 ( 2.059 -1.360 -3.851) 4.574 6.071 ( -2.704 -2.335 -3.043) 4.693 6.182 ( 3.583 -5.310 0.084) 6.406 6.311 ( -0.530 -4.689 1.706) 5.018 6.341 ( 0.377 -0.350 3.942) 3.975 6.407 ( -1.271 -3.395 3.226) 4.853 6.455 ( -3.465 1.623 0.089) 3.827 6.605 ( -1.724 -2.687 -0.811) 3.294 6.665 ( -2.116 2.629 0.088) 3.376 6.813 ( -1.563 6.611 -0.040) 6.793 7.001 ( -1.855 -3.102 -0.616) 3.666 7.113 ( -0.872 0.717 -0.371) 1.188 7.256 ( -2.435 2.399 2.075) 3.999 7.341 ( 3.039 0.847 -1.176) 3.367 7.401 ( 2.180 2.639 -1.626) 3.789 7.584 ( -2.146 3.192 -7.283) 8.236 7.705 ( 0.300 -7.958 5.840) 9.875 7.781 ( 1.498 0.555 -4.214) 4.506 7.861 ( -0.684 -1.065 -1.449) 1.924 7.933 ( 0.023 -1.306 1.707) 2.149 8.181 ( -5.981 1.450 1.073) 6.247 8.233 ( -3.629 7.213 0.304) 8.080 8.260 ( 0.853 3.099 -4.666) 5.666 8.434 ( 1.112 3.544 -0.385) 3.734 8.452 ( -1.524 -2.182 0.967) 2.832 8.582 ( -5.838 -2.898 -3.851) 7.571 8.700 ( -2.723 -0.403 4.807) 5.539 8.869 ( -0.252 0.704 0.759) 1.065 8.915 ( 1.762 1.330 -0.863) 2.370 8.928 ( -0.196 2.526 -0.727) 2.636 9.111 ( -0.726 0.543 4.526) 4.616 9.147 ( -1.361 2.461 5.725) 6.378 9.281 ( 0.870 -3.483 -1.636) 3.945 9.349 ( 5.385 -0.663 -0.398) 5.440 9.478 ( -3.953 1.626 0.298) 4.285 9.632 ( -2.430 -2.053 1.237) 3.413 9.665 ( 2.235 -3.759 1.437) 4.603 9.803 ( 1.316 -9.895 -2.593) 10.313 9.891 ( 4.991 5.683 -0.838) 7.610 10.011 ( -2.558 2.393 -0.354) 3.520 10.126 ( 2.407 7.307 -1.314) 7.804 10.241 ( -1.367 -1.042 2.088) 2.704 10.283 ( 6.560 -2.155 -3.337) 7.669 10.396 ( -0.433 -0.168 2.877) 2.914 10.645 ( -4.506 -4.811 0.596) 6.619 10.706 ( 0.721 -5.968 -3.670) 7.044 10.851 ( 1.048 -2.644 -2.873) 4.043 10.926 ( -0.889 -4.912 2.386) 5.533 10.999 ( 1.034 -1.039 4.366) 4.606 11.091 ( -0.505 1.589 0.562) 1.760 11.261 ( 2.782 6.369 0.181) 6.952 11.411 ( -1.849 3.181 2.483) 4.438 11.968 ( -0.332 -0.126 -0.521) 0.630 12.046 ( 0.223 -3.659 1.838) 4.101 12.101 ( -1.443 4.781 -1.410) 5.189 12.234 ( 1.746 0.165 -1.505) 2.311 12.328 ( -0.540 -3.099 -3.328) 4.579 12.416 ( 3.564 -2.360 -3.488) 5.517 12.429 ( -1.181 -3.966 0.694) 4.196 12.492 ( 1.002 0.894 -0.560) 1.455 12.617 ( -1.436 0.758 -2.441) 2.932 12.647 ( -4.825 -3.498 -2.759) 6.568 12.735 ( -3.093 -2.342 2.174) 4.447 12.819 ( 0.878 -1.450 0.039) 1.696 12.842 ( 1.987 -3.689 2.513) 4.886 12.968 ( -0.591 -0.804 4.549) 4.658 13.002 ( -2.900 -0.944 -1.713) 3.498 13.068 ( -0.879 -0.582 -0.146) 1.064 13.168 ( 0.818 -0.173 -1.311) 1.555 13.227 ( -4.283 1.040 2.912) 5.282 13.382 ( 3.357 -4.784 5.245) 7.853 13.544 ( 0.447 -4.552 4.148) 6.174 13.657 ( 4.402 5.542 -3.089) 7.723 13.737 ( 3.607 2.719 -4.559) 6.417 13.783 ( -0.157 3.680 -2.674) 4.552 13.856 ( 3.740 3.225 2.279) 5.439 13.951 ( -3.295 5.421 -2.452) 6.801 14.058 ( -6.127 5.412 1.557) 8.322 14.283 ( -4.332 -1.771 -7.026) 8.442 14.394 ( -1.036 -4.232 -2.028) 4.806 14.637 ( -1.045 -0.852 -0.027) 1.348 14.700 ( 1.262 5.631 4.236) 7.159 14.729 ( 1.534 3.473 -2.355) 4.468 14.919 ( 6.540 4.903 -1.694) 8.347 15.047 ( 0.267 0.758 1.728) 1.905 15.289 ( 1.756 4.554 1.037) 4.989 15.382 ( 0.778 -2.228 0.183) 2.367 15.455 ( -0.395 1.567 2.096) 2.646 15.501 ( -1.680 3.226 0.030) 3.637 15.570 ( -4.704 3.023 3.199) 6.442 15.757 ( 1.593 3.324 1.142) 3.859 15.883 ( -4.154 2.324 1.632) 5.032 16.010 ( 0.838 -0.163 3.604) 3.703 16.159 ( -2.853 -3.117 -0.665) 4.277 16.367 ( 2.469 0.253 0.473) 2.527 16.511 ( -1.828 4.302 -1.062) 4.793 16.682 ( 1.964 -9.501 0.083) 9.702 16.894 ( 2.572 -3.487 0.208) 4.338 16.923 ( 5.332 -1.547 -4.485) 7.137 17.030 ( 4.072 -3.854 1.720) 5.865 19.200 ( 0.953 0.553 1.076) 1.540 19.364 ( 1.146 0.448 0.269) 1.259 19.494 ( -3.906 -4.556 2.725) 6.590 19.591 ( 0.395 -3.191 -1.685) 3.630 21.025 ( 0.738 2.178 -2.546) 3.431 21.044 ( 0.946 1.724 2.541) 3.214 21.172 ( -0.393 1.791 1.986) 2.703 21.223 ( -2.806 1.013 -0.162) 2.987 25.045 ( -0.634 0.608 0.919) 1.272 25.085 ( 0.025 -0.375 -0.642) 0.744 25.457 ( 1.007 0.139 -0.931) 1.378 25.643 ( 0.220 -6.000 -0.027) 6.004 25.932 ( 0.171 2.823 1.236) 3.086 25.994 ( 0.198 2.694 0.728) 2.797 26.187 ( -0.770 1.131 -0.663) 1.520 26.202 ( -1.227 0.678 0.448) 1.472 26.668 ( 2.827 2.437 -4.250) 5.656 26.879 ( 3.060 -2.314 -9.002) 9.786 27.115 ( 0.403 -1.286 -1.457) 1.985 27.225 ( 1.785 -3.452 -1.279) 4.091 27.312 ( 2.605 -2.174 3.844) 5.127 27.372 ( -1.591 -2.358 3.765) 4.719 27.454 ( 0.913 -0.437 0.353) 1.072 27.493 ( -1.105 -2.700 5.522) 6.246 27.603 ( -3.046 4.750 1.553) 5.852 27.718 ( 8.325 4.036 2.946) 9.709 27.807 ( 0.622 8.797 -0.533) 8.835 27.995 ( -0.537 1.848 1.251) 2.295 28.094 ( 0.029 3.279 -1.981) 3.831 28.139 ( -2.220 -1.538 -2.221) 3.496 28.313 ( 1.891 1.748 -0.920) 2.735 28.389 ( -1.890 -3.701 -1.531) 4.429 28.494 ( -1.570 -2.503 4.468) 5.357 28.524 ( -2.963 -1.736 -1.319) 3.679 28.584 ( -4.600 -5.740 5.503) 9.187 28.640 ( -3.677 -1.913 -1.375) 4.367 28.833 ( -5.729 6.585 -3.802) 9.521 28.968 ( -6.058 7.423 5.861) 11.232 29.283 ( -1.386 -2.663 -3.781) 4.828 29.647 ( 4.526 -4.287 -1.325) 6.373 29.920 ( -1.380 2.534 -0.633) 2.954 29.930 ( 0.713 1.445 -7.819) 7.983 30.124 ( -4.487 -1.684 6.014) 7.690 30.257 ( -3.555 -1.206 -1.850) 4.186 30.358 ( 1.077 -0.610 8.470) 8.560 30.924 ( 1.135 -9.129 2.876) 9.639 31.341 ( 9.147 4.174 -4.988) 11.224 31.526 ( 5.369 -1.107 -7.453) 9.252 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 17.130 0.282 11.280) 20.512 1.729 ( -5.742 10.350 4.745) 12.752 1.769 ( 4.082 1.650 6.613) 7.944 1.922 ( 8.312 -3.918 10.316) 13.816 1.940 ( 0.712 2.703 7.250) 7.770 2.039 ( 3.249 -0.030 2.938) 4.380 2.232 ( 7.642 2.406 5.836) 9.912 2.324 ( 0.404 -3.107 -5.909) 6.688 2.443 ( 8.461 1.424 -2.382) 8.904 2.553 ( 7.901 2.153 -0.584) 8.210 2.616 ( 0.916 -0.183 0.922) 1.312 2.675 ( -3.526 -2.696 -3.245) 5.498 2.790 ( 0.395 1.421 -3.795) 4.071 2.816 ( -0.562 -3.732 3.746) 5.318 2.932 ( -1.866 3.265 -0.242) 3.768 3.071 ( -7.324 0.372 8.154) 10.967 3.128 ( -3.442 4.702 3.013) 6.560 3.136 ( -2.017 -1.374 2.246) 3.317 3.197 ( -4.440 3.312 7.174) 9.064 3.336 ( -4.310 -2.886 -5.683) 7.694 3.448 ( -1.385 -5.204 0.611) 5.419 3.476 ( 2.307 7.274 -0.770) 7.670 3.623 ( 0.973 -0.574 3.041) 3.244 3.750 ( -1.451 -1.143 -4.386) 4.759 3.777 ( -2.451 4.988 -2.896) 6.267 3.814 ( -10.363 7.617 0.723) 12.881 3.977 ( 0.736 3.489 -1.255) 3.780 4.003 ( 9.627 1.442 -2.961) 10.175 4.026 ( -1.085 3.337 -4.551) 5.746 4.062 ( -0.120 0.351 -3.834) 3.852 4.124 ( -0.163 -1.494 -0.264) 1.526 4.211 ( 5.507 -1.404 -6.390) 8.552 4.309 ( 4.408 -2.340 -4.566) 6.764 4.392 ( -2.879 1.953 -5.413) 6.434 4.403 ( -4.375 3.543 -2.619) 6.209 4.458 ( -2.202 -3.254 -0.004) 3.929 4.514 ( 2.277 5.066 -0.322) 5.564 4.607 ( 0.121 -0.090 -4.530) 4.533 4.678 ( -1.925 -4.230 -1.493) 4.882 4.721 ( -5.523 -5.681 2.069) 8.189 4.816 ( -1.236 -5.889 -0.468) 6.035 4.871 ( 0.433 -0.863 0.915) 1.330 4.895 ( -1.062 -5.767 -0.735) 5.910 5.101 ( -0.718 -2.054 -0.559) 2.247 5.133 ( 0.639 7.565 -2.653) 8.042 5.184 ( 4.275 4.000 4.631) 7.465 5.307 ( 1.455 1.995 -1.927) 3.132 5.341 ( 0.617 1.523 4.692) 4.972 5.381 ( 0.608 -2.109 -1.623) 2.730 5.466 ( -1.882 1.007 3.674) 4.249 5.531 ( 2.348 0.150 0.534) 2.412 5.586 ( -1.146 -2.922 3.042) 4.371 5.654 ( -1.174 0.164 -0.781) 1.420 5.740 ( -1.496 -0.681 -2.661) 3.128 5.823 ( 1.943 -6.122 -2.217) 6.795 5.975 ( 1.348 0.084 6.395) 6.536 6.008 ( -0.730 -4.953 -2.215) 5.475 6.064 ( 2.793 -1.324 -0.196) 3.097 6.233 ( 0.506 -3.009 -0.150) 3.055 6.289 ( -1.319 -1.883 0.867) 2.457 6.381 ( -2.078 -1.637 2.113) 3.385 6.417 ( -1.875 -3.059 0.780) 3.671 6.423 ( 0.118 0.265 3.694) 3.706 6.531 ( -1.599 0.274 -3.526) 3.881 6.675 ( 0.690 0.173 2.326) 2.432 6.785 ( -0.620 5.888 -1.358) 6.074 7.023 ( 2.166 -3.456 2.397) 4.731 7.099 ( 0.551 -0.181 -0.678) 0.892 7.259 ( -0.765 2.283 3.617) 4.345 7.338 ( 0.274 2.686 -2.392) 3.607 7.453 ( 2.148 -1.682 -0.761) 2.832 7.489 ( -1.196 3.336 -3.820) 5.211 7.712 ( 0.195 0.127 -3.231) 3.239 7.770 ( -0.750 -4.054 -2.390) 4.765 7.818 ( -0.127 -4.094 -2.862) 4.997 7.948 ( 1.749 -0.580 -0.268) 1.862 8.092 ( -4.229 4.120 -1.219) 6.029 8.228 ( 0.515 5.994 2.606) 6.556 8.285 ( 5.643 1.279 -4.518) 7.341 8.409 ( -0.014 5.974 -1.674) 6.205 8.461 ( -2.593 -0.010 2.881) 3.876 8.501 ( 2.179 -1.472 -1.280) 2.925 8.743 ( -0.278 -5.967 6.884) 9.114 8.863 ( -0.957 -0.362 0.457) 1.121 8.929 ( 0.717 1.671 1.247) 2.205 8.962 ( 3.078 3.827 0.163) 4.914 9.131 ( -2.590 4.881 0.984) 5.613 9.154 ( -4.352 -0.266 8.002) 9.113 9.298 ( 2.570 -4.467 -0.560) 5.184 9.390 ( -1.384 3.389 0.558) 3.703 9.442 ( 1.111 0.060 -0.728) 1.329 9.583 ( -2.762 -2.044 -0.689) 3.504 9.716 ( -0.063 -2.356 3.011) 3.824 9.807 ( 2.337 -8.478 -2.852) 9.245 9.957 ( 1.199 3.346 0.355) 3.572 9.976 ( 0.528 2.110 0.866) 2.341 10.148 ( 1.141 6.847 -0.826) 6.990 10.275 ( 0.541 -2.517 4.872) 5.510 10.308 ( 0.799 -0.580 -3.367) 3.508 10.425 ( -0.404 -0.291 2.934) 2.975 10.595 ( -1.458 -5.162 -0.535) 5.390 10.715 ( 3.693 -6.430 -2.948) 7.979 10.870 ( 2.425 0.024 1.820) 3.032 10.946 ( -1.550 -8.052 4.809) 9.506 11.050 ( -0.317 -0.392 4.085) 4.116 11.125 ( 1.747 1.652 3.832) 4.524 11.283 ( 0.271 4.613 -2.136) 5.090 11.348 ( -5.075 4.646 -1.931) 7.147 11.949 ( -0.309 -0.640 -1.652) 1.799 12.048 ( -0.709 -2.488 -0.398) 2.618 12.072 ( -0.110 1.572 -1.411) 2.115 12.206 ( -2.317 1.116 -3.947) 4.711 12.288 ( 2.738 -4.887 -5.180) 7.630 12.379 ( -1.253 -6.010 -4.136) 7.402 12.435 ( 0.075 -2.774 -2.560) 3.775 12.488 ( -4.153 3.452 -2.742) 6.056 12.531 ( 0.866 2.426 -3.269) 4.162 12.561 ( 0.383 0.271 -6.079) 6.097 12.705 ( -3.523 -2.923 4.507) 6.424 12.823 ( 0.217 -3.520 -0.870) 3.632 12.883 ( -1.100 -4.791 0.758) 4.974 12.980 ( -1.099 0.097 4.630) 4.760 13.009 ( 3.607 -2.865 -1.072) 4.729 13.088 ( 0.956 0.549 3.450) 3.622 13.164 ( -1.786 1.941 1.957) 3.285 13.217 ( 1.630 0.502 0.345) 1.740 13.429 ( -2.673 -4.070 1.668) 5.147 13.560 ( -2.739 -4.292 3.713) 6.301 13.677 ( 2.599 5.484 -1.395) 6.227 13.742 ( -0.872 2.256 -1.925) 3.091 13.859 ( 5.641 0.816 2.695) 6.304 13.912 ( 0.621 5.313 1.929) 5.687 13.987 ( 1.528 0.101 5.601) 5.807 14.004 ( 2.369 4.500 -0.532) 5.113 14.124 ( -2.390 0.191 -8.782) 9.104 14.358 ( 1.020 -1.663 -4.178) 4.611 14.573 ( -3.695 0.568 -2.405) 4.446 14.678 ( 1.109 8.358 -8.598) 12.042 14.801 ( 0.273 -1.011 7.465) 7.538 14.992 ( 3.097 1.140 -1.250) 3.529 15.086 ( 0.811 2.745 4.175) 5.062 15.320 ( -0.069 4.480 1.725) 4.801 15.399 ( 1.177 -0.900 0.358) 1.525 15.434 ( -3.371 0.354 -0.866) 3.498 15.473 ( -1.657 3.680 -0.246) 4.044 15.534 ( -0.311 2.541 1.440) 2.937 15.788 ( 1.001 3.226 -0.443) 3.406 15.849 ( -1.650 4.076 2.258) 4.943 16.067 ( -0.293 -0.952 6.813) 6.885 16.144 ( 0.037 -2.403 2.002) 3.128 16.372 ( -1.831 3.299 -1.942) 4.244 16.460 ( -0.005 3.997 -2.845) 4.906 16.691 ( -1.135 -10.266 -0.062) 10.328 16.930 ( 2.635 -3.304 -4.460) 6.145 16.960 ( 1.011 -2.899 2.473) 3.942 17.079 ( -0.035 -3.933 0.736) 4.001 19.223 ( -0.038 -0.535 1.785) 1.864 19.356 ( -0.225 1.800 -2.176) 2.833 19.462 ( -2.546 -5.185 2.684) 6.369 19.610 ( 2.045 -4.273 0.339) 4.749 21.018 ( -0.740 2.566 0.727) 2.768 21.090 ( 2.776 4.297 -0.287) 5.123 21.162 ( -2.035 0.854 2.872) 3.622 21.219 ( 0.356 0.724 1.279) 1.512 25.037 ( -0.803 0.451 0.078) 0.924 25.070 ( -0.594 -0.390 -1.531) 1.688 25.458 ( 0.334 0.398 -1.186) 1.295 25.595 ( -2.568 -3.536 -4.663) 6.391 25.956 ( 0.202 2.474 2.845) 3.776 26.016 ( 0.660 1.590 2.520) 3.052 26.169 ( -0.184 1.140 -1.649) 2.013 26.180 ( -0.984 0.639 -0.867) 1.459 26.689 ( 2.924 1.238 -2.135) 3.826 26.841 ( 3.173 -2.001 -9.086) 9.830 27.115 ( 0.434 -2.729 -0.697) 2.850 27.193 ( -1.084 -3.906 -5.797) 7.073 27.349 ( -3.361 -1.409 2.719) 4.547 27.378 ( 0.880 -1.650 1.091) 2.165 27.450 ( -2.506 1.153 3.214) 4.235 27.500 ( -2.499 -1.287 3.355) 4.377 27.587 ( -0.902 6.087 1.338) 6.297 27.737 ( -5.499 6.034 -1.488) 8.298 27.886 ( 6.167 -0.270 3.754) 7.225 27.978 ( -2.826 -0.591 -5.212) 5.958 28.053 ( -0.024 4.968 1.580) 5.213 28.210 ( 5.168 0.652 6.115) 8.033 28.338 ( 0.510 1.398 -1.293) 1.971 28.364 ( 0.417 -3.072 -0.386) 3.124 28.478 ( -0.526 -2.414 0.837) 2.609 28.516 ( -1.105 -0.656 3.311) 3.551 28.557 ( -2.871 -1.685 3.516) 4.842 28.661 ( 2.368 -2.257 2.374) 4.042 28.754 ( 2.197 5.381 -2.627) 6.378 28.975 ( -1.314 5.587 7.559) 9.491 29.226 ( 0.902 -2.832 -5.880) 6.589 29.706 ( 3.623 -5.239 -2.562) 6.866 29.829 ( -1.339 3.263 -6.989) 7.828 29.906 ( -0.326 3.337 -0.947) 3.484 30.100 ( -4.933 -1.771 4.729) 7.059 30.242 ( 4.173 -0.488 -0.061) 4.202 30.479 ( -0.546 -3.430 12.727) 13.192 30.919 ( -3.624 -8.575 0.304) 9.314 31.360 ( 0.782 4.325 -8.064) 9.184 31.538 ( 5.042 -1.224 -7.529) 9.143 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -21.035 9.015 4.669) 23.357 1.795 ( -12.089 8.976 3.805) 15.530 1.991 ( 3.712 -6.969 3.628) 8.690 2.035 ( 4.043 -0.436 -4.500) 6.065 2.188 ( 6.655 -2.676 5.792) 9.220 2.195 ( 11.025 -1.838 1.536) 11.282 2.332 ( 1.357 -1.686 1.234) 2.491 2.412 ( 2.270 2.131 -1.195) 3.335 2.534 ( -0.643 -5.807 -1.625) 6.064 2.598 ( 7.365 1.527 6.803) 10.142 2.643 ( 0.225 1.136 0.429) 1.235 2.703 ( 1.304 2.131 -5.727) 6.248 2.746 ( 6.562 -0.651 -1.424) 6.746 2.826 ( -9.737 0.516 3.554) 10.378 2.868 ( -3.317 3.173 -5.820) 7.412 2.988 ( -10.666 2.492 6.227) 12.600 3.036 ( -3.690 -1.776 -3.719) 5.532 3.091 ( -0.863 -1.962 1.092) 2.406 3.135 ( -9.976 5.049 0.277) 11.185 3.219 ( -2.446 5.435 7.930) 9.920 3.387 ( -8.543 2.858 1.289) 9.100 3.473 ( -4.688 3.011 -4.175) 6.962 3.543 ( -0.966 8.520 -2.521) 8.937 3.631 ( -7.205 0.223 3.051) 7.828 3.768 ( 2.573 0.573 5.978) 6.534 3.822 ( 4.493 2.142 2.186) 5.436 3.924 ( -2.582 1.982 -2.114) 3.881 3.992 ( 2.790 3.451 -3.901) 5.909 4.047 ( -0.272 2.581 1.912) 3.224 4.079 ( -1.234 -2.612 -8.396) 8.879 4.132 ( -1.121 -1.897 -8.515) 8.795 4.191 ( 4.094 2.765 -2.105) 5.370 4.236 ( 0.179 -1.904 -9.910) 10.093 4.333 ( 1.080 -2.985 0.297) 3.188 4.401 ( 6.446 -1.778 1.238) 6.801 4.454 ( -1.765 -6.949 -0.953) 7.232 4.535 ( 0.758 -0.255 0.180) 0.820 4.541 ( -1.488 -3.326 -3.877) 5.321 4.654 ( 2.726 3.749 1.199) 4.788 4.680 ( -0.033 3.049 -1.564) 3.427 4.820 ( 1.978 -7.372 -0.149) 7.634 4.915 ( -0.360 -2.509 4.415) 5.091 4.933 ( 5.838 -1.489 0.526) 6.048 5.070 ( -0.334 -0.547 -3.285) 3.347 5.167 ( 3.358 4.084 1.788) 5.582 5.253 ( 2.381 2.048 -1.555) 3.505 5.347 ( -0.201 0.043 1.379) 1.395 5.375 ( 0.071 3.933 4.269) 5.805 5.430 ( 0.480 1.210 7.264) 7.380 5.472 ( 3.795 -2.807 0.505) 4.747 5.555 ( 0.624 2.424 -0.295) 2.521 5.611 ( -0.452 -1.502 -3.979) 4.277 5.641 ( 3.865 -2.688 2.186) 5.191 5.718 ( 3.025 0.677 -2.350) 3.890 5.878 ( 4.033 -6.876 -0.070) 7.972 5.978 ( 0.925 -7.896 -4.359) 9.067 6.069 ( 0.708 0.462 5.573) 5.637 6.116 ( -0.980 -2.518 3.383) 4.330 6.189 ( -2.991 1.836 1.465) 3.803 6.261 ( -0.529 0.116 -4.654) 4.686 6.334 ( -2.468 -0.918 0.374) 2.660 6.402 ( 0.397 -1.742 0.112) 1.790 6.472 ( 0.749 -0.703 1.697) 1.983 6.524 ( 0.607 -0.791 2.506) 2.697 6.725 ( 1.828 0.225 2.569) 3.161 6.785 ( 1.549 3.227 0.069) 3.580 7.022 ( -1.565 -2.172 -2.611) 3.739 7.167 ( 4.807 1.057 1.377) 5.111 7.268 ( -0.909 1.019 0.373) 1.416 7.331 ( 0.056 0.975 0.390) 1.052 7.415 ( -0.250 0.536 -3.145) 3.200 7.498 ( 1.368 3.257 0.018) 3.533 7.673 ( -2.033 0.946 -7.079) 7.426 7.709 ( 1.778 -0.053 -2.446) 3.024 7.817 ( 0.513 -4.657 -0.470) 4.709 7.968 ( 0.658 -4.773 -6.634) 8.199 8.048 ( 1.325 3.967 4.111) 5.865 8.278 ( 1.892 6.061 2.501) 6.825 8.320 ( 2.699 -1.895 -1.506) 3.625 8.410 ( 1.779 4.557 -1.349) 5.075 8.508 ( 5.197 3.216 0.807) 6.165 8.563 ( 3.667 -0.278 0.512) 3.713 8.797 ( 0.713 -5.103 3.734) 6.363 8.842 ( -0.347 -2.569 -2.204) 3.403 8.957 ( 2.046 0.007 -0.224) 2.058 9.019 ( -0.438 3.177 3.564) 4.795 9.087 ( -0.069 6.899 -1.077) 6.983 9.148 ( -5.970 -1.273 7.223) 9.457 9.323 ( -0.254 -0.866 1.166) 1.474 9.386 ( -1.394 5.976 3.685) 7.157 9.463 ( 2.875 -4.244 -2.703) 5.795 9.532 ( -2.203 -1.540 0.029) 2.688 9.706 ( -2.330 -0.581 0.442) 2.441 9.816 ( 1.933 -7.645 -3.419) 8.595 9.972 ( -1.572 -2.482 4.822) 5.647 10.012 ( 0.852 2.379 -0.291) 2.544 10.150 ( 0.014 0.793 -1.233) 1.466 10.266 ( -0.101 2.566 -3.264) 4.154 10.328 ( -0.415 -1.891 3.557) 4.050 10.436 ( -1.346 0.755 1.854) 2.413 10.570 ( -1.116 -4.230 -0.111) 4.376 10.742 ( 3.258 -4.628 -3.652) 6.736 10.891 ( -4.666 -5.929 3.536) 8.332 11.031 ( 1.600 -7.038 5.823) 9.274 11.056 ( 0.267 4.731 2.551) 5.382 11.207 ( -1.981 2.254 -6.376) 7.046 11.221 ( 0.764 4.020 4.527) 6.102 11.268 ( 0.351 0.934 1.301) 1.640 11.940 ( 0.980 -1.318 -0.841) 1.846 12.038 ( -4.291 -2.100 1.393) 4.976 12.056 ( 3.200 1.155 -3.622) 4.969 12.119 ( -1.951 1.071 -2.464) 3.320 12.279 ( -2.493 -4.084 -5.504) 7.293 12.301 ( 1.407 -2.649 -5.871) 6.593 12.362 ( -1.368 -0.561 -2.546) 2.944 12.431 ( -0.720 3.800 -1.377) 4.105 12.520 ( 0.515 1.234 -0.863) 1.592 12.551 ( 2.820 3.581 -2.911) 5.408 12.710 ( 0.366 -3.468 0.832) 3.586 12.823 ( -0.163 -2.980 2.722) 4.040 12.858 ( -0.379 -4.928 -1.436) 5.147 12.994 ( -2.240 2.443 3.996) 5.192 13.084 ( 5.621 -4.857 -1.996) 7.692 13.106 ( -1.893 3.186 3.188) 4.889 13.212 ( 1.667 -2.897 1.484) 3.657 13.272 ( 3.918 1.238 4.602) 6.169 13.374 ( -3.428 -4.275 -0.149) 5.482 13.512 ( -6.723 -1.948 3.167) 7.683 13.682 ( -0.350 2.001 -3.173) 3.767 13.722 ( -2.651 3.783 1.713) 4.927 13.797 ( -7.326 1.019 -2.490) 7.804 13.905 ( -3.201 3.538 -0.392) 4.787 14.012 ( 4.054 -6.234 -9.840) 12.334 14.134 ( 8.876 -1.351 4.390) 9.994 14.211 ( 8.359 3.207 5.283) 10.395 14.366 ( 5.093 3.528 -3.321) 7.030 14.514 ( 0.426 4.190 -2.372) 4.834 14.593 ( -0.312 5.998 -7.208) 9.382 14.836 ( -3.413 -0.156 4.312) 5.501 14.999 ( -0.384 -0.735 -2.060) 2.221 15.140 ( 0.683 2.894 2.750) 4.050 15.325 ( -1.809 4.186 2.983) 5.449 15.369 ( -0.797 1.143 -0.441) 1.462 15.439 ( 1.112 2.567 2.372) 3.668 15.479 ( 2.728 4.262 0.617) 5.098 15.559 ( 1.015 1.151 1.069) 1.870 15.774 ( 0.480 2.801 -3.155) 4.246 15.893 ( 1.977 3.334 5.133) 6.432 16.136 ( -0.962 -2.223 8.670) 9.002 16.175 ( 0.267 -3.021 2.740) 4.087 16.291 ( -3.633 5.458 -2.421) 6.990 16.452 ( 1.395 2.924 -2.709) 4.223 16.637 ( -4.582 -6.803 -0.814) 8.243 16.904 ( -0.096 -2.263 -3.914) 4.522 16.990 ( -1.339 -5.306 3.072) 6.275 17.041 ( -4.345 -4.146 -0.813) 6.060 19.233 ( -0.974 -1.645 2.121) 2.856 19.345 ( 1.635 3.113 -1.297) 3.748 19.461 ( -1.178 -6.055 2.925) 6.827 19.656 ( 3.073 -5.059 0.006) 5.919 20.991 ( -2.644 4.431 -0.272) 5.166 21.141 ( 3.007 4.268 0.507) 5.245 21.172 ( -1.492 0.859 3.520) 3.918 21.231 ( 0.337 -0.289 -0.304) 0.538 25.022 ( -0.967 0.096 -0.008) 0.972 25.038 ( -1.166 -0.146 -1.223) 1.696 25.445 ( -1.075 -0.281 -0.738) 1.334 25.487 ( -3.362 -0.670 -5.090) 6.137 25.995 ( 0.212 2.595 4.248) 4.982 26.066 ( 1.122 0.671 4.063) 4.269 26.144 ( -0.024 1.031 -2.822) 3.005 26.152 ( -0.530 0.472 -2.179) 2.292 26.708 ( 1.393 -0.171 -2.517) 2.882 26.806 ( 3.134 -2.964 -9.014) 9.993 27.043 ( -4.652 -1.014 -4.677) 6.674 27.163 ( 1.524 -3.818 -0.077) 4.111 27.297 ( -4.921 -0.869 1.754) 5.296 27.384 ( -2.369 -1.844 2.090) 3.658 27.434 ( -4.530 2.484 5.603) 7.621 27.506 ( 0.060 1.155 1.872) 2.200 27.570 ( -1.536 4.412 -0.386) 4.688 27.678 ( -1.166 5.205 3.587) 6.428 27.868 ( -1.501 -0.377 -7.350) 7.511 28.007 ( 3.735 -2.313 3.132) 5.396 28.102 ( 0.680 2.900 5.529) 6.281 28.282 ( -0.316 3.360 -3.485) 4.851 28.324 ( 0.226 0.283 3.130) 3.151 28.374 ( -0.959 -0.627 1.520) 1.903 28.470 ( -2.287 -1.532 0.404) 2.782 28.500 ( -0.275 0.710 -2.671) 2.777 28.601 ( 3.905 -1.929 0.795) 4.427 28.777 ( 7.275 -2.455 3.566) 8.466 28.837 ( 6.254 0.554 1.921) 6.566 29.036 ( 1.317 0.775 3.423) 3.749 29.234 ( 5.555 1.478 -1.724) 6.001 29.674 ( 3.015 1.295 -13.654) 14.043 29.792 ( -2.113 3.409 4.349) 5.916 29.891 ( -0.347 3.134 -0.929) 3.287 30.059 ( -3.247 -0.842 1.980) 3.896 30.392 ( 9.862 -4.467 3.390) 11.345 30.571 ( -3.977 -6.626 11.708) 14.028 30.823 ( -6.100 -7.407 -0.598) 9.614 31.234 ( -5.234 5.676 -7.935) 11.072 31.534 ( 3.681 -3.319 -8.884) 10.173 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -23.338 14.073 7.764) 28.337 1.372 ( -30.106 9.998 -13.300) 34.398 1.948 ( -7.328 5.537 -9.311) 13.078 1.956 ( -14.204 -6.999 -14.397) 21.401 2.101 ( -2.031 -10.888 -1.146) 11.134 2.143 ( -15.488 6.791 -3.042) 17.183 2.284 ( 0.972 -5.084 -2.033) 5.561 2.392 ( -0.183 0.187 -0.581) 0.637 2.497 ( -2.774 4.997 -10.396) 11.863 2.522 ( -5.020 -5.437 0.510) 7.417 2.655 ( -0.370 1.408 1.240) 1.912 2.715 ( -0.226 2.647 -3.099) 4.082 2.814 ( 3.207 0.812 3.159) 4.574 2.856 ( -6.690 -0.759 1.660) 6.934 2.861 ( 4.084 -1.520 5.585) 7.084 2.918 ( 8.412 0.658 -2.957) 8.941 3.016 ( -1.473 0.443 1.610) 2.226 3.021 ( -4.841 -0.022 4.667) 6.724 3.097 ( 0.517 4.268 -3.654) 5.642 3.214 ( -4.468 0.608 3.937) 5.986 3.295 ( -2.171 10.863 -1.315) 11.156 3.392 ( -0.456 4.588 3.567) 5.829 3.534 ( -4.213 -2.384 0.795) 4.905 3.607 ( 1.145 9.267 5.911) 11.051 3.814 ( -3.106 -3.153 -2.426) 5.047 3.838 ( -3.734 0.624 -4.660) 6.005 3.890 ( -0.322 -1.502 4.700) 4.945 3.941 ( 1.802 -2.284 -4.795) 5.608 3.998 ( -0.074 2.085 3.763) 4.302 4.063 ( -2.376 -0.195 -2.431) 3.405 4.159 ( 6.224 -0.319 2.540) 6.730 4.213 ( 0.677 3.847 1.114) 4.062 4.237 ( 3.455 -0.813 1.492) 3.850 4.369 ( 2.501 -3.751 -0.590) 4.547 4.455 ( 2.184 -3.078 0.778) 3.854 4.489 ( 2.355 -4.385 -2.525) 5.581 4.539 ( 3.058 -1.035 -4.496) 5.535 4.576 ( 6.555 -1.723 -0.737) 6.817 4.674 ( 3.572 3.884 -2.916) 6.029 4.722 ( 0.585 3.685 4.337) 5.721 4.887 ( 1.984 -2.775 2.130) 4.022 4.951 ( 0.602 -0.208 3.801) 3.854 4.990 ( -0.268 -4.024 -1.444) 4.284 5.051 ( 2.888 0.928 -2.517) 3.942 5.233 ( 2.021 -1.441 1.011) 2.680 5.311 ( 5.023 4.184 -0.245) 6.542 5.377 ( 1.977 1.096 4.362) 4.913 5.413 ( -0.132 -0.369 1.701) 1.746 5.469 ( -0.677 -1.919 -1.618) 2.599 5.560 ( 2.444 0.617 4.781) 5.405 5.601 ( 2.075 0.674 0.510) 2.241 5.620 ( 4.621 2.632 3.233) 6.223 5.718 ( 4.388 -0.600 -0.145) 4.432 5.789 ( 6.067 -1.504 -2.330) 6.670 5.928 ( 1.083 -4.420 -2.156) 5.036 5.938 ( -1.479 -3.080 -1.874) 3.897 5.992 ( -1.552 -4.783 -5.453) 7.418 6.131 ( -1.017 -3.210 1.667) 3.757 6.194 ( 1.064 2.223 -5.673) 6.185 6.255 ( 1.438 -2.528 4.708) 5.534 6.353 ( -1.642 -0.273 6.148) 6.369 6.413 ( -0.115 -0.472 2.713) 2.757 6.485 ( 0.542 1.496 -0.238) 1.609 6.549 ( -0.002 -0.825 1.092) 1.368 6.760 ( -0.521 0.326 1.056) 1.222 6.832 ( 4.436 2.534 -1.898) 5.450 6.970 ( -1.805 -3.541 -0.006) 3.974 7.206 ( 0.513 5.205 -0.263) 5.237 7.257 ( 0.905 -5.152 -6.948) 8.697 7.342 ( 1.644 0.986 -1.007) 2.165 7.392 ( -2.333 5.600 1.670) 6.292 7.533 ( 3.170 3.676 -2.025) 5.260 7.587 ( 1.205 1.152 -4.238) 4.554 7.711 ( -0.601 0.163 -0.701) 0.938 7.817 ( -0.326 -0.989 0.302) 1.084 7.889 ( -0.930 -2.252 -4.914) 5.485 8.148 ( 0.339 2.014 7.166) 7.451 8.333 ( 4.197 -1.696 -1.232) 4.691 8.379 ( 4.666 1.576 0.627) 4.964 8.434 ( 2.213 2.185 -1.149) 3.315 8.591 ( 5.050 4.730 -4.244) 8.117 8.634 ( 3.691 -0.397 3.953) 5.423 8.801 ( -1.334 -5.748 0.568) 5.928 8.887 ( 6.723 -1.917 -1.830) 7.226 8.988 ( -3.381 2.966 1.659) 4.794 9.007 ( 2.338 0.020 -1.382) 2.716 9.087 ( -6.446 0.121 5.213) 8.291 9.114 ( 2.649 6.435 -2.629) 7.439 9.337 ( -0.833 0.977 3.316) 3.556 9.368 ( -2.734 1.167 0.744) 3.064 9.472 ( -0.043 -6.072 -1.734) 6.315 9.531 ( 0.470 2.058 1.705) 2.714 9.686 ( -0.547 -5.374 0.849) 5.468 9.802 ( 0.837 -9.238 -3.666) 9.974 9.940 ( -6.823 0.004 2.343) 7.214 10.011 ( 0.119 1.050 -0.926) 1.405 10.113 ( -0.698 -0.805 -3.653) 3.805 10.259 ( 1.333 0.431 -1.151) 1.813 10.334 ( -0.325 -1.421 -1.051) 1.797 10.413 ( -3.176 0.274 2.174) 3.859 10.557 ( -1.355 -1.324 1.347) 2.325 10.760 ( 2.187 -3.301 -1.967) 4.421 10.827 ( -3.247 -5.540 -0.886) 6.482 10.951 ( -5.434 -0.955 -0.393) 5.531 11.083 ( -2.727 0.774 -4.658) 5.453 11.222 ( 0.975 -5.611 1.750) 5.958 11.250 ( 5.138 4.345 4.614) 8.159 11.402 ( 3.874 0.093 8.026) 8.913 11.916 ( -6.289 -1.665 0.658) 6.539 11.972 ( 0.145 2.150 0.695) 2.265 12.075 ( 1.353 -1.157 -0.955) 2.020 12.127 ( 3.731 1.599 -0.797) 4.137 12.200 ( 0.461 2.703 -3.691) 4.598 12.294 ( 0.027 -2.075 0.834) 2.236 12.312 ( -0.721 1.819 -2.897) 3.496 12.423 ( 0.531 4.437 0.188) 4.472 12.539 ( 0.732 0.543 0.755) 1.183 12.592 ( 4.007 3.325 -2.014) 5.583 12.724 ( 2.083 -3.591 0.422) 4.173 12.840 ( -0.327 -0.968 0.735) 1.259 12.900 ( 3.083 -7.999 2.739) 8.999 12.987 ( -0.504 3.594 0.891) 3.737 13.115 ( -1.631 2.670 4.631) 5.589 13.144 ( 1.144 -3.005 -1.297) 3.467 13.195 ( -2.151 -0.095 1.294) 2.512 13.327 ( -2.217 -4.508 -0.208) 5.028 13.408 ( -6.509 2.134 1.479) 7.007 13.429 ( 6.812 -2.235 3.473) 7.966 13.567 ( -9.467 -1.719 -2.089) 9.846 13.610 ( -4.786 0.175 -2.493) 5.399 13.755 ( 0.071 1.044 -2.413) 2.630 13.842 ( -1.252 7.119 0.392) 7.238 13.990 ( 5.990 -6.915 -11.250) 14.501 14.283 ( 4.692 -6.638 1.904) 8.349 14.359 ( 4.835 5.875 -1.457) 7.746 14.427 ( 3.652 9.276 -3.843) 10.684 14.500 ( 1.388 3.190 0.554) 3.523 14.643 ( 4.925 -0.603 5.475) 7.389 14.784 ( -3.979 3.633 0.259) 5.394 14.952 ( -0.235 2.009 -4.302) 4.753 15.158 ( 1.464 3.193 -2.254) 4.174 15.324 ( -0.776 4.653 1.460) 4.938 15.388 ( 1.547 -0.085 0.479) 1.622 15.465 ( 0.462 4.915 1.095) 5.056 15.582 ( 1.481 0.990 -0.294) 1.805 15.602 ( 3.457 3.168 9.255) 10.375 15.764 ( 2.924 -0.026 -3.416) 4.497 15.999 ( 3.226 -0.451 5.539) 6.426 16.170 ( -3.522 -1.405 1.916) 4.248 16.201 ( 0.649 -1.805 2.401) 3.073 16.248 ( -0.839 -1.737 3.392) 3.902 16.453 ( 2.490 3.282 -3.689) 5.530 16.542 ( -5.003 -0.271 1.508) 5.233 16.872 ( -1.351 -2.748 1.300) 3.327 16.923 ( -7.096 -3.761 -2.067) 8.292 16.966 ( -4.175 -3.371 1.750) 5.644 19.240 ( -0.052 -1.245 1.453) 1.914 19.387 ( 2.945 0.992 0.710) 3.187 19.468 ( -2.091 -7.432 3.093) 8.317 19.712 ( 3.743 -5.210 -0.769) 6.461 20.936 ( -2.624 5.381 -0.948) 6.061 21.155 ( -3.552 2.793 1.394) 4.728 21.187 ( -0.196 -0.213 2.009) 2.030 21.231 ( 2.191 1.559 -2.961) 4.000 25.005 ( -1.270 -0.456 1.352) 1.910 25.025 ( -0.456 -0.160 1.908) 1.968 25.370 ( -3.596 0.988 -2.477) 4.476 25.434 ( -1.918 -0.527 1.107) 2.276 26.049 ( 0.804 3.123 4.589) 5.609 26.109 ( -0.376 0.672 -3.921) 3.996 26.111 ( 0.589 1.162 -2.159) 2.522 26.136 ( 0.515 0.040 3.862) 3.897 26.671 ( -2.245 -1.043 -3.479) 4.270 26.746 ( 0.757 -4.995 -10.421) 11.581 26.967 ( 0.109 3.115 -1.566) 3.488 27.188 ( -0.866 -2.810 2.078) 3.600 27.235 ( -3.763 -2.599 2.816) 5.371 27.343 ( -5.688 -2.113 4.501) 7.555 27.409 ( -4.405 3.083 4.187) 6.815 27.522 ( 0.436 3.495 0.586) 3.570 27.561 ( -0.379 -1.128 1.590) 1.986 27.752 ( 4.123 9.698 5.649) 11.957 27.786 ( 0.208 -2.030 -5.464) 5.833 28.080 ( 0.929 -2.938 1.650) 3.495 28.155 ( -0.208 2.238 2.448) 3.323 28.234 ( -1.038 1.762 -2.323) 3.095 28.290 ( -3.592 3.781 -3.357) 6.202 28.372 ( 0.546 2.845 1.986) 3.513 28.456 ( 1.411 1.270 -5.717) 6.024 28.496 ( 1.982 -4.238 2.278) 5.204 28.679 ( 5.298 -0.256 -0.874) 5.376 28.875 ( 0.988 -6.620 1.566) 6.875 28.967 ( 5.685 -1.855 2.816) 6.610 29.149 ( 9.288 -1.121 1.407) 9.460 29.353 ( 6.418 5.074 1.892) 8.397 29.595 ( 3.091 7.016 -11.450) 13.780 29.794 ( -2.658 0.674 3.564) 4.497 29.876 ( -0.221 1.399 -1.235) 1.879 30.039 ( -0.990 2.463 0.961) 2.823 30.509 ( -11.915 -10.164 4.454) 16.283 30.591 ( 7.712 -5.845 1.051) 9.734 30.778 ( -0.183 -8.241 3.637) 9.010 31.048 ( -7.644 8.014 -5.395) 12.320 31.474 ( 0.084 -5.985 -10.781) 12.331 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -22.858 16.729 -4.456) 28.674 0.887 ( -19.205 21.205 13.577) 31.667 1.582 ( -35.535 29.590 27.810) 53.960 1.669 ( -4.887 -12.651 -2.153) 13.732 1.969 ( 6.615 -1.534 -14.812) 16.295 2.147 ( 3.233 -10.470 -4.096) 11.698 2.277 ( -1.696 -6.924 1.395) 7.264 2.289 ( -1.112 6.137 -5.647) 8.413 2.413 ( 0.296 -3.613 -1.895) 4.091 2.468 ( 1.225 -2.064 -5.910) 6.379 2.618 ( -0.194 1.562 -2.928) 3.324 2.701 ( 0.628 -2.261 -1.572) 2.824 2.765 ( -0.776 -1.035 -2.135) 2.496 2.860 ( -3.389 6.723 -0.826) 7.574 2.910 ( -2.483 4.466 3.853) 6.400 2.971 ( 1.752 -2.810 3.957) 5.160 3.021 ( -1.869 -0.762 0.660) 2.124 3.035 ( -0.543 -0.255 2.190) 2.271 3.119 ( 2.821 1.324 2.075) 3.744 3.208 ( 1.364 -1.089 0.029) 1.746 3.271 ( 0.952 8.942 -1.010) 9.050 3.410 ( -2.228 3.500 0.786) 4.222 3.508 ( 0.781 0.299 1.179) 1.445 3.647 ( -4.626 5.017 4.147) 7.985 3.681 ( -2.397 -3.417 -2.807) 5.030 3.816 ( 0.169 -1.446 -0.150) 1.464 3.906 ( -1.954 -5.402 0.143) 5.746 3.955 ( -0.275 1.451 4.968) 5.183 4.020 ( 0.182 3.852 0.728) 3.925 4.070 ( 2.267 -0.301 2.767) 3.590 4.229 ( -1.448 2.218 0.963) 2.818 4.273 ( 3.791 -0.636 -0.518) 3.879 4.295 ( 1.433 -2.608 3.714) 4.759 4.394 ( 1.565 3.301 -2.325) 4.330 4.464 ( 0.709 -4.723 -2.908) 5.592 4.501 ( 3.718 -1.242 -7.766) 8.700 4.580 ( 3.548 -4.198 1.779) 5.777 4.648 ( 3.526 3.204 -1.549) 5.009 4.709 ( 0.896 -0.428 -2.672) 2.850 4.768 ( 1.739 5.104 1.364) 5.562 4.912 ( 0.377 2.309 0.701) 2.442 4.954 ( -1.561 -1.117 2.409) 3.080 5.036 ( 3.458 -0.184 2.534) 4.291 5.069 ( 1.403 -3.615 -1.955) 4.343 5.269 ( 1.091 -1.746 0.311) 2.082 5.317 ( -2.948 -2.463 -8.946) 9.735 5.394 ( 4.450 2.604 -0.079) 5.157 5.453 ( 0.166 1.157 2.647) 2.893 5.487 ( -0.492 2.479 -0.547) 2.586 5.556 ( -2.743 -0.018 0.521) 2.792 5.650 ( -2.197 2.137 1.616) 3.465 5.738 ( 3.811 -2.721 2.117) 5.139 5.768 ( 2.100 -3.973 -2.421) 5.105 5.818 ( 1.274 -1.870 -1.015) 2.480 5.896 ( 3.126 0.344 -1.751) 3.600 5.958 ( 3.306 -3.386 -3.901) 6.133 6.014 ( 4.687 -5.002 2.564) 7.319 6.104 ( -1.782 -4.266 -2.281) 5.156 6.171 ( 1.000 1.168 -2.864) 3.251 6.278 ( -2.278 -3.210 2.381) 4.600 6.376 ( 0.998 1.779 0.407) 2.080 6.422 ( -1.784 3.363 2.473) 4.540 6.514 ( 2.334 1.247 -0.792) 2.763 6.573 ( 0.664 1.168 3.009) 3.295 6.732 ( -1.049 0.704 -2.650) 2.936 6.893 ( 5.294 1.366 -1.793) 5.754 6.946 ( -5.785 -7.001 2.676) 9.468 7.115 ( -2.707 -0.250 -9.157) 9.552 7.263 ( 4.573 4.145 2.742) 6.754 7.320 ( -2.206 3.049 -1.272) 3.972 7.385 ( 2.010 5.533 -2.810) 6.524 7.544 ( -1.005 3.598 -0.820) 3.825 7.631 ( 3.190 0.466 1.529) 3.568 7.691 ( 0.418 0.921 -0.501) 1.129 7.826 ( -0.782 1.744 2.203) 2.916 7.882 ( 2.856 -1.793 3.771) 5.059 8.177 ( -3.785 4.010 8.199) 9.881 8.385 ( 2.049 -3.617 -1.387) 4.382 8.450 ( 4.748 2.009 -0.998) 5.252 8.501 ( 4.197 1.074 1.799) 4.691 8.630 ( 2.263 7.144 -1.509) 7.644 8.731 ( 3.875 -1.279 1.674) 4.411 8.834 ( 7.814 -7.604 -3.127) 11.343 8.904 ( -5.091 1.629 0.428) 5.363 8.942 ( -1.550 2.666 -1.434) 3.401 9.021 ( -2.484 0.881 0.538) 2.691 9.055 ( 2.236 -2.397 0.399) 3.302 9.150 ( 4.877 2.331 -4.436) 6.993 9.315 ( -1.412 4.643 -0.638) 4.895 9.366 ( -1.538 -5.069 0.199) 5.300 9.427 ( -2.368 -4.934 0.435) 5.490 9.560 ( 0.894 2.371 1.538) 2.964 9.604 ( -10.112 -7.868 -2.521) 13.059 9.787 ( -2.196 -2.684 -1.092) 3.636 9.851 ( -0.867 -3.786 -0.946) 3.997 9.996 ( -0.489 -0.070 1.133) 1.236 10.091 ( 3.139 0.708 -4.430) 5.476 10.265 ( -2.207 -4.609 2.204) 5.565 10.317 ( 0.949 -0.151 -1.462) 1.750 10.380 ( -2.705 0.290 1.931) 3.336 10.545 ( -1.955 1.247 2.927) 3.734 10.765 ( -0.208 -4.409 -1.603) 4.696 10.807 ( 2.143 -3.146 0.597) 3.854 10.895 ( -2.072 -3.436 2.468) 4.711 11.022 ( -0.175 1.354 -1.981) 2.406 11.197 ( -0.364 -4.433 -4.715) 6.482 11.364 ( 2.488 1.078 0.449) 2.748 11.459 ( -2.850 -0.992 0.245) 3.027 11.879 ( -3.717 -2.110 9.806) 10.697 11.985 ( -0.859 1.402 0.782) 1.821 12.114 ( 2.678 -0.823 1.626) 3.239 12.155 ( 0.238 0.927 2.679) 2.845 12.228 ( 3.524 -0.475 -2.759) 4.501 12.311 ( 2.851 4.835 2.739) 6.246 12.330 ( 0.351 2.595 3.411) 4.300 12.448 ( 0.659 3.302 0.365) 3.387 12.539 ( -0.578 1.377 0.865) 1.726 12.634 ( 4.273 4.459 -3.096) 6.908 12.820 ( 6.716 -3.381 0.745) 7.556 12.830 ( -2.393 -2.761 1.313) 3.883 12.916 ( 1.057 -5.553 -4.475) 7.210 13.053 ( -2.216 2.013 2.225) 3.730 13.095 ( 4.812 0.826 1.862) 5.226 13.115 ( -2.333 0.876 1.741) 3.040 13.201 ( -3.838 2.036 1.239) 4.518 13.272 ( -1.283 2.507 0.317) 2.834 13.346 ( -3.279 0.275 1.619) 3.667 13.417 ( -4.315 -1.939 1.327) 4.913 13.501 ( -2.979 -1.038 0.068) 3.156 13.606 ( 8.081 -2.459 -0.511) 8.462 13.720 ( 0.675 2.682 -1.851) 3.328 13.891 ( 3.673 5.478 1.589) 6.784 13.986 ( 4.959 -6.314 -8.920) 12.002 14.315 ( -2.886 -7.612 1.229) 8.233 14.365 ( 0.276 5.868 -0.420) 5.890 14.439 ( -2.425 7.839 -1.643) 8.369 14.552 ( 5.128 4.524 -1.640) 7.032 14.680 ( -1.405 6.387 -1.874) 6.803 14.794 ( 0.883 -1.105 3.352) 3.638 14.948 ( 5.078 -0.360 -4.855) 7.035 15.151 ( 2.931 4.815 -6.764) 8.805 15.329 ( 0.654 5.192 -0.318) 5.243 15.397 ( 0.461 0.743 -2.671) 2.811 15.491 ( 0.321 3.968 2.209) 4.553 15.600 ( 1.044 1.237 -0.253) 1.639 15.643 ( -3.763 6.123 -0.354) 7.195 15.877 ( 6.152 -5.020 5.975) 9.937 16.068 ( 0.804 -3.357 0.137) 3.454 16.116 ( -2.569 -4.516 -0.895) 5.272 16.225 ( -1.830 -1.790 2.134) 3.333 16.276 ( 0.399 -7.659 3.035) 8.248 16.409 ( -0.681 -1.349 -5.617) 5.816 16.575 ( 3.451 3.473 2.235) 5.382 16.777 ( -6.610 -2.596 -2.193) 7.432 16.845 ( -4.190 0.560 -0.753) 4.293 16.957 ( -0.201 -3.362 2.697) 4.314 19.246 ( -1.801 -1.772 -0.267) 2.540 19.371 ( -7.373 -1.215 -2.699) 7.945 19.468 ( 1.399 -5.399 1.567) 5.793 19.751 ( 2.904 -6.029 -4.876) 8.280 20.904 ( -0.648 5.775 1.075) 5.910 21.095 ( -3.138 3.423 -0.986) 4.747 21.175 ( 0.279 -2.293 1.338) 2.670 21.261 ( 0.689 0.582 2.961) 3.095 25.007 ( -1.068 -0.430 2.157) 2.445 25.084 ( 1.770 -4.996 7.145) 8.897 25.323 ( -1.187 1.663 2.004) 2.862 25.423 ( -2.594 -2.158 4.867) 5.923 26.053 ( 0.218 1.846 -4.895) 5.236 26.076 ( 0.147 0.751 -1.883) 2.033 26.153 ( 3.889 4.141 2.768) 6.320 26.196 ( 1.391 0.158 5.238) 5.421 26.530 ( -8.213 -1.758 -7.814) 11.472 26.665 ( 0.706 -0.962 -3.899) 4.078 26.981 ( 1.359 4.167 0.337) 4.396 27.158 ( -2.651 0.331 0.237) 2.682 27.212 ( -6.204 -1.601 3.386) 7.247 27.311 ( -2.522 -6.832 5.228) 8.965 27.377 ( -1.893 1.752 1.801) 3.146 27.527 ( -0.200 1.095 -1.037) 1.521 27.555 ( -1.431 0.274 0.267) 1.481 27.758 ( 1.596 -2.516 -2.423) 3.841 27.981 ( -5.713 5.936 -9.849) 12.840 28.005 ( 12.837 5.606 13.614) 19.533 28.167 ( 0.899 0.701 -1.073) 1.566 28.205 ( -0.680 2.482 0.328) 2.594 28.269 ( 2.284 4.218 -0.255) 4.804 28.370 ( -1.367 6.403 0.666) 6.581 28.467 ( 4.517 -1.510 -3.285) 5.786 28.552 ( 1.511 -6.248 1.630) 6.632 28.767 ( 4.765 -0.718 1.313) 4.995 28.895 ( 0.898 -10.058 1.381) 10.192 29.112 ( 5.250 0.084 7.131) 8.855 29.322 ( 9.186 -0.495 -0.109) 9.200 29.432 ( 1.643 1.919 -3.276) 4.137 29.597 ( 7.320 11.154 0.212) 13.343 29.747 ( -3.697 -5.430 -8.894) 11.057 29.847 ( -3.155 1.394 1.855) 3.916 30.021 ( -3.580 4.416 3.192) 6.519 30.309 ( -12.013 -8.756 2.773) 15.122 30.663 ( 2.512 -3.684 -2.546) 5.135 30.809 ( -2.416 -5.162 1.891) 6.004 30.928 ( 0.065 4.688 -1.626) 4.963 31.289 ( -8.391 -4.059 -11.946) 15.152 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 13.192 16.903 22.754) 31.265 1.329 ( 2.679 25.665 10.326) 27.794 1.534 ( 12.811 -15.350 16.823) 26.130 1.746 ( 3.761 -17.494 3.491) 18.231 2.032 ( -1.674 12.223 12.465) 17.538 2.092 ( 3.151 1.131 -0.027) 3.348 2.270 ( 1.860 4.108 -2.657) 5.234 2.297 ( -1.122 3.877 6.077) 7.295 2.385 ( 2.737 -2.406 -0.074) 3.645 2.502 ( -1.903 -1.769 0.769) 2.710 2.612 ( 3.638 1.895 4.894) 6.386 2.676 ( -0.244 -3.444 -5.296) 6.322 2.749 ( 1.542 0.848 1.973) 2.644 2.798 ( -3.606 -3.841 -2.541) 5.849 2.917 ( -1.656 2.357 -2.395) 3.747 2.958 ( -2.078 3.633 1.707) 4.520 2.992 ( -1.451 -3.467 -0.898) 3.864 3.045 ( -0.247 -1.675 2.565) 3.074 3.213 ( 1.110 2.415 -4.997) 5.660 3.252 ( 1.045 3.914 1.622) 4.363 3.293 ( 0.002 -1.067 -5.549) 5.651 3.343 ( -2.459 -9.832 5.267) 11.422 3.525 ( -2.887 4.034 3.231) 5.920 3.600 ( -3.071 0.529 5.861) 6.638 3.717 ( 3.694 -3.536 4.018) 6.504 3.727 ( 1.356 -3.644 2.422) 4.581 3.911 ( -0.778 8.626 -3.575) 9.369 4.028 ( -2.118 -2.175 -3.240) 4.440 4.149 ( 0.098 7.971 3.954) 8.898 4.154 ( -1.925 6.960 0.435) 7.235 4.228 ( 3.161 1.996 -1.945) 4.214 4.263 ( -2.014 -2.606 -3.334) 4.686 4.293 ( 2.998 -1.955 -3.020) 4.684 4.333 ( -0.022 -5.761 -1.693) 6.004 4.439 ( -0.293 1.457 -0.757) 1.668 4.498 ( 0.052 -2.186 -1.937) 2.921 4.571 ( 2.021 2.194 -2.259) 3.742 4.627 ( -0.472 -0.995 -5.236) 5.351 4.686 ( -1.949 0.541 -2.172) 2.968 4.779 ( -0.935 -7.529 -0.853) 7.635 4.920 ( -0.439 1.255 -1.192) 1.785 4.962 ( -0.195 -3.473 -3.505) 4.938 5.055 ( -1.080 3.053 1.623) 3.622 5.074 ( 2.941 0.982 0.415) 3.128 5.196 ( -0.680 2.766 -2.961) 4.108 5.259 ( 3.032 -2.919 -1.168) 4.368 5.445 ( -3.795 2.159 -1.989) 4.798 5.474 ( -3.574 -1.045 -1.591) 4.049 5.521 ( -2.986 2.907 0.234) 4.174 5.536 ( 1.370 3.537 -2.128) 4.349 5.600 ( -2.256 -1.262 -2.540) 3.625 5.660 ( -0.314 -3.063 -2.825) 4.179 5.667 ( -2.990 1.634 -1.969) 3.936 5.801 ( -2.289 -7.910 -3.170) 8.824 5.873 ( 2.618 2.545 -0.593) 3.699 5.944 ( 5.487 -3.761 -2.568) 7.130 6.028 ( 2.003 0.969 -3.944) 4.528 6.055 ( 1.848 -1.685 -3.884) 4.620 6.137 ( -2.161 -0.083 1.930) 2.899 6.193 ( -0.293 -5.526 1.358) 5.698 6.425 ( -2.062 3.098 -2.995) 4.777 6.461 ( -0.610 -0.047 -4.831) 4.870 6.537 ( -0.476 0.816 3.140) 3.279 6.560 ( 0.501 -0.971 4.396) 4.530 6.789 ( -2.139 0.985 5.883) 6.337 6.817 ( -2.462 -2.222 6.565) 7.355 7.016 ( 4.226 3.950 0.128) 5.786 7.089 ( 4.508 -3.239 0.096) 5.552 7.344 ( 0.255 4.293 -0.147) 4.303 7.395 ( 2.635 -1.344 1.742) 3.433 7.475 ( 1.860 3.724 -4.493) 6.125 7.509 ( -1.067 -0.076 -2.938) 3.127 7.690 ( -0.070 1.039 2.780) 2.969 7.720 ( 1.646 -2.018 1.307) 2.914 7.868 ( -1.817 2.604 3.774) 4.932 7.920 ( 0.790 -3.024 2.498) 4.001 8.236 ( -4.838 3.792 5.512) 8.256 8.325 ( -2.468 -4.399 1.743) 5.337 8.570 ( -1.429 3.516 0.328) 3.810 8.630 ( 3.968 -1.987 0.319) 4.449 8.761 ( 2.829 3.358 -1.125) 4.533 8.788 ( 1.214 2.752 -5.360) 6.146 8.821 ( -3.270 1.056 0.140) 3.439 8.834 ( -2.861 -0.168 -2.140) 3.577 8.886 ( 7.614 -1.518 -0.437) 7.776 8.996 ( 4.253 -7.341 -0.736) 8.516 9.042 ( -3.685 6.036 0.174) 7.074 9.159 ( -3.290 -7.247 1.007) 8.022 9.257 ( 3.170 6.450 -3.907) 8.180 9.333 ( -2.083 0.325 -3.406) 4.006 9.426 ( -0.133 3.839 1.146) 4.009 9.517 ( -0.458 3.102 1.350) 3.414 9.604 ( 0.570 -1.985 1.424) 2.509 9.617 ( 0.378 -11.736 -1.396) 11.825 9.869 ( -0.699 7.663 0.390) 7.704 9.987 ( 0.382 -4.502 1.968) 4.928 10.109 ( 3.242 -0.279 -3.206) 4.568 10.141 ( -0.336 -3.890 -2.091) 4.429 10.309 ( -2.311 1.223 3.609) 4.457 10.353 ( -0.679 -2.862 1.646) 3.371 10.596 ( 0.275 3.813 2.398) 4.512 10.694 ( 0.340 -5.364 1.911) 5.704 10.776 ( -0.690 0.231 0.729) 1.030 10.837 ( 0.561 -4.534 0.248) 4.575 11.087 ( 2.854 2.704 1.470) 4.197 11.128 ( 3.139 -1.640 0.576) 3.588 11.339 ( -3.648 1.631 -4.254) 5.837 11.373 ( -3.539 -1.208 -4.120) 5.564 11.895 ( -1.076 2.073 3.598) 4.289 11.959 ( 0.685 -4.088 0.114) 4.146 12.088 ( -2.119 2.016 1.578) 3.323 12.161 ( -0.335 -4.751 -1.144) 4.898 12.363 ( 0.474 3.977 2.414) 4.677 12.408 ( -3.676 -0.851 1.475) 4.051 12.448 ( 2.044 5.475 4.971) 7.672 12.513 ( 4.869 1.158 5.193) 7.212 12.600 ( -0.364 3.280 -0.198) 3.306 12.651 ( -0.463 -1.797 -2.036) 2.755 12.762 ( 0.342 -2.655 -0.465) 2.717 12.784 ( -0.759 -1.262 2.008) 2.490 12.897 ( 0.950 1.627 -3.809) 4.249 12.968 ( -5.191 -4.914 -2.183) 7.474 13.084 ( 1.100 3.939 1.654) 4.411 13.138 ( 0.516 0.367 0.557) 0.843 13.207 ( -2.357 -0.179 -0.593) 2.437 13.245 ( -3.996 -2.847 4.145) 6.423 13.387 ( 2.509 3.112 0.392) 4.017 13.448 ( 4.114 -3.717 2.592) 6.120 13.529 ( -2.935 3.750 2.315) 5.294 13.623 ( -4.643 -5.759 -0.362) 7.406 13.812 ( 7.376 3.978 -3.246) 8.987 13.866 ( 4.579 -2.959 -3.661) 6.567 14.074 ( 4.423 2.809 5.843) 7.848 14.152 ( -0.590 -5.901 5.135) 7.844 14.502 ( 0.480 6.095 -2.701) 6.684 14.537 ( -1.829 9.796 0.766) 9.995 14.595 ( -2.064 -0.527 -4.863) 5.309 14.729 ( -0.827 -7.655 1.446) 7.834 14.771 ( -0.063 7.673 -6.997) 10.384 14.897 ( 0.311 -5.865 -5.084) 7.768 15.267 ( 3.427 6.306 -5.658) 9.139 15.336 ( -1.058 -0.985 -4.189) 4.431 15.438 ( 2.286 3.404 -0.814) 4.180 15.490 ( -0.079 -1.632 -1.608) 2.292 15.705 ( 1.778 7.950 0.381) 8.155 15.725 ( -3.791 7.304 0.108) 8.230 15.815 ( -8.029 0.129 -2.402) 8.382 15.910 ( 0.495 -10.869 -3.142) 11.325 16.060 ( -1.096 -1.604 6.264) 6.558 16.112 ( -1.376 -7.710 2.870) 8.341 16.247 ( -0.023 5.384 0.142) 5.386 16.342 ( 2.181 -4.063 -2.044) 5.045 16.655 ( 1.351 0.930 0.383) 1.684 16.668 ( 1.203 -0.486 -0.925) 1.594 16.836 ( -2.382 2.065 -3.434) 4.662 16.852 ( -2.753 0.525 -4.255) 5.095 19.218 ( -3.059 6.037 0.272) 6.774 19.329 ( -2.429 -3.711 -2.497) 5.090 19.443 ( 2.470 3.632 -0.114) 4.394 19.579 ( 1.715 -8.916 -4.218) 10.011 21.037 ( 0.568 7.018 2.389) 7.436 21.111 ( -1.469 2.988 0.051) 3.330 21.174 ( 3.668 -4.839 1.881) 6.357 21.201 ( -3.200 -4.384 1.363) 5.596 25.020 ( -0.512 0.849 2.673) 2.851 25.048 ( -1.227 -2.588 4.117) 5.015 25.353 ( -0.067 0.764 2.316) 2.439 25.378 ( -0.929 -1.948 2.202) 3.083 26.053 ( -0.156 2.117 -3.049) 3.715 26.070 ( -0.143 0.317 -2.443) 2.468 26.208 ( -0.985 0.689 1.678) 2.064 26.219 ( -1.067 -0.065 0.413) 1.146 26.594 ( 6.581 2.446 4.683) 8.440 26.652 ( 3.986 -3.417 2.101) 5.655 27.076 ( -0.173 2.371 0.067) 2.379 27.101 ( -2.592 -0.710 -1.942) 3.315 27.142 ( -2.329 3.342 1.189) 4.243 27.231 ( -1.733 -5.943 5.014) 7.966 27.402 ( -1.570 4.159 -1.567) 4.713 27.474 ( -0.688 -3.272 -2.183) 3.993 27.617 ( 1.537 5.726 0.615) 5.961 27.714 ( 2.305 -4.269 0.554) 4.883 27.920 ( -4.116 4.884 -3.870) 7.468 28.011 ( -3.850 -5.048 -2.175) 6.711 28.259 ( 0.903 4.006 -0.339) 4.121 28.281 ( -1.264 4.924 -0.330) 5.095 28.337 ( -0.533 -4.895 1.197) 5.068 28.382 ( -1.189 -3.911 2.061) 4.577 28.464 ( 0.448 2.549 -0.039) 2.589 28.524 ( 1.610 -2.105 1.119) 2.876 28.791 ( 1.696 -0.065 -0.391) 1.742 28.844 ( 1.556 -5.086 -0.518) 5.344 29.244 ( -5.605 7.091 2.424) 9.358 29.372 ( -4.474 -6.173 -0.490) 7.639 29.486 ( 6.643 3.720 -3.174) 8.249 29.534 ( 4.940 -0.967 -3.461) 6.109 29.845 ( 1.200 2.434 4.003) 4.836 29.887 ( 7.181 -2.021 3.625) 8.294 30.070 ( -3.469 3.010 5.058) 6.832 30.131 ( -3.922 -3.921 5.656) 7.922 30.730 ( 0.460 1.848 -0.329) 1.933 30.764 ( -0.823 -1.149 -0.069) 1.415 30.962 ( 1.296 2.566 -4.897) 5.678 31.038 ( 3.982 -4.836 -6.969) 9.371 ======================= Grid point 62 (33/63) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 8.758 21.684 6.658) 24.315 1.637 ( 2.198 16.587 15.880) 23.068 1.828 ( 9.150 -10.479 -0.070) 13.912 1.961 ( 4.775 -13.021 10.014) 17.107 2.149 ( 8.125 3.191 -7.634) 11.596 2.217 ( 6.869 -4.020 -5.954) 9.940 2.344 ( -0.736 4.101 -0.881) 4.259 2.391 ( 3.310 3.765 4.704) 6.874 2.411 ( 3.096 -0.656 6.608) 7.327 2.431 ( -5.206 -3.724 0.918) 6.466 2.560 ( -5.941 -1.383 -5.948) 8.520 2.593 ( -1.100 -5.836 1.314) 6.083 2.745 ( -1.741 6.068 1.438) 6.475 2.847 ( -0.505 -1.168 2.667) 2.955 2.926 ( 0.781 2.605 4.851) 5.561 2.931 ( -2.973 -1.141 3.906) 5.040 2.987 ( 2.198 4.066 4.365) 6.358 3.069 ( 1.459 -0.320 0.509) 1.578 3.133 ( 1.108 0.907 -10.264) 10.364 3.224 ( 3.892 -7.018 -8.762) 11.881 3.323 ( 1.858 5.835 3.915) 7.268 3.393 ( -0.351 0.844 6.843) 6.904 3.535 ( 0.000 0.994 4.044) 4.165 3.614 ( 2.107 -6.554 2.233) 7.238 3.849 ( 1.054 6.267 -1.286) 6.484 3.859 ( 1.535 0.464 7.337) 7.510 3.908 ( 5.488 -2.219 5.090) 7.806 3.935 ( 2.564 0.950 -4.385) 5.168 4.043 ( -3.718 2.457 -6.749) 8.087 4.110 ( -2.186 -2.845 -5.549) 6.608 4.179 ( -1.593 6.742 2.687) 7.430 4.271 ( -1.387 1.977 -1.604) 2.899 4.331 ( 1.817 2.339 2.052) 3.603 4.375 ( 4.036 -1.030 0.910) 4.263 4.417 ( -1.532 -1.250 0.848) 2.152 4.449 ( -2.425 0.335 -3.221) 4.046 4.493 ( -1.210 2.934 -6.500) 7.233 4.594 ( -0.094 -6.860 -3.732) 7.810 4.688 ( -1.098 -2.283 4.384) 5.063 4.745 ( -2.822 -7.277 0.238) 7.809 4.893 ( -0.048 2.092 -1.027) 2.331 4.923 ( -0.344 -1.609 -1.538) 2.253 5.063 ( -2.050 0.758 4.195) 4.730 5.074 ( -2.309 -0.696 0.539) 2.471 5.220 ( 2.359 5.811 1.554) 6.461 5.272 ( 0.942 0.493 -4.834) 4.950 5.320 ( -4.796 1.895 -5.671) 7.665 5.353 ( -3.693 -1.110 -5.609) 6.807 5.468 ( -2.215 4.015 -1.716) 4.896 5.529 ( -0.577 -2.702 -0.944) 2.920 5.554 ( -0.523 3.745 -2.108) 4.329 5.603 ( -1.668 1.652 0.897) 2.513 5.648 ( -0.563 -5.049 -1.938) 5.437 5.734 ( -1.468 -9.452 -2.044) 9.781 5.902 ( 1.769 1.674 -1.050) 2.652 5.964 ( 0.131 -4.378 -4.348) 6.171 6.000 ( 2.076 1.575 -5.266) 5.875 6.024 ( 1.480 -1.100 -3.662) 4.100 6.173 ( -0.709 -0.202 5.715) 5.763 6.207 ( -1.095 -3.713 2.284) 4.495 6.358 ( -1.783 1.752 -2.746) 3.714 6.387 ( -1.822 -1.085 -3.032) 3.700 6.559 ( -1.962 2.048 3.706) 4.667 6.592 ( -2.227 -0.961 4.481) 5.095 6.790 ( -2.730 2.820 3.811) 5.470 6.864 ( -1.507 -4.830 5.119) 7.197 7.076 ( 2.249 5.625 0.817) 6.113 7.176 ( 4.615 -4.168 -0.824) 6.273 7.347 ( -0.217 5.527 -0.062) 5.532 7.404 ( -2.866 0.053 -2.531) 3.824 7.455 ( 0.624 1.275 -0.650) 1.561 7.471 ( 1.330 0.507 -4.735) 4.944 7.726 ( 0.499 -0.295 3.255) 3.306 7.750 ( 0.344 -2.342 1.591) 2.852 7.880 ( -1.056 2.966 3.556) 4.749 7.930 ( -0.028 -0.841 -1.503) 1.723 8.215 ( -3.453 0.522 4.365) 5.590 8.305 ( -1.779 -6.883 -0.042) 7.109 8.505 ( -4.746 4.670 0.415) 6.671 8.582 ( -6.929 -3.071 0.722) 7.613 8.682 ( -6.847 4.283 0.735) 8.109 8.733 ( -3.667 -1.303 -0.572) 3.934 8.785 ( -2.768 4.820 1.758) 5.829 8.859 ( 3.459 1.210 -3.200) 4.865 8.952 ( -1.824 4.591 -1.356) 5.123 9.011 ( 3.074 -2.866 -0.707) 4.262 9.094 ( 4.958 -2.675 -2.195) 6.046 9.129 ( 0.335 -5.544 -0.609) 5.588 9.222 ( -1.106 4.289 -3.259) 5.499 9.280 ( 0.151 0.149 -3.242) 3.249 9.463 ( 2.980 3.775 2.073) 5.237 9.538 ( 1.613 2.111 -0.259) 2.669 9.600 ( -1.648 -7.352 0.672) 7.565 9.627 ( 1.658 -5.658 -0.587) 5.925 9.887 ( 1.241 7.603 1.385) 7.828 10.023 ( 1.008 -6.463 1.761) 6.774 10.130 ( 2.286 -0.647 -3.124) 3.925 10.132 ( 2.541 -0.312 -3.068) 3.996 10.309 ( -0.764 2.153 1.261) 2.610 10.360 ( -0.432 -2.351 1.833) 3.012 10.641 ( 0.132 1.083 4.019) 4.164 10.723 ( 0.862 -5.511 1.267) 5.720 10.754 ( -1.869 0.802 -0.548) 2.106 10.832 ( -0.857 -5.781 -0.405) 5.858 11.128 ( -0.421 4.937 -1.958) 5.328 11.209 ( 0.584 -3.240 -0.595) 3.346 11.267 ( 0.760 1.878 -0.749) 2.159 11.270 ( -0.217 0.959 -0.443) 1.078 11.922 ( 1.021 1.570 1.664) 2.505 11.960 ( 0.125 -1.822 -0.185) 1.836 12.094 ( 0.623 0.155 2.051) 2.149 12.156 ( 0.560 -5.750 0.640) 5.812 12.367 ( -2.468 1.903 1.843) 3.621 12.393 ( -0.283 -1.005 3.915) 4.051 12.505 ( -1.469 4.500 0.359) 4.747 12.553 ( -3.327 7.167 4.236) 8.966 12.586 ( -1.664 -3.477 -3.472) 5.188 12.634 ( 0.720 -0.317 3.892) 3.971 12.743 ( -2.044 -0.723 0.362) 2.198 12.793 ( -4.245 -2.341 5.632) 7.431 12.902 ( 4.728 0.223 -4.634) 6.624 12.910 ( 1.889 -1.126 -3.319) 3.982 13.081 ( -2.434 5.805 -1.651) 6.508 13.114 ( -1.475 3.026 0.623) 3.423 13.192 ( -0.437 -2.114 0.095) 2.161 13.252 ( -1.262 -6.455 2.486) 7.031 13.402 ( -6.271 2.407 5.250) 8.525 13.429 ( -12.240 -3.208 -0.560) 12.666 13.507 ( 6.094 -0.039 -0.392) 6.107 13.553 ( 5.058 -3.679 2.074) 6.589 13.893 ( 3.112 3.353 -1.647) 4.863 13.923 ( 3.917 0.754 -3.097) 5.050 14.211 ( -1.382 -0.234 6.712) 6.857 14.237 ( 3.766 -2.226 6.938) 8.202 14.448 ( -3.645 2.627 -5.870) 7.392 14.463 ( -3.089 0.878 -6.614) 7.352 14.572 ( 5.139 10.006 1.529) 11.352 14.697 ( -0.726 4.719 -5.256) 7.101 14.729 ( 0.007 -3.263 0.335) 3.280 14.834 ( 0.034 -8.300 -6.257) 10.394 15.227 ( -1.671 6.975 -5.004) 8.745 15.299 ( 0.826 0.327 -1.855) 2.057 15.454 ( -0.369 3.240 -3.792) 5.001 15.459 ( 0.473 2.364 -0.946) 2.590 15.664 ( -5.502 3.997 -0.064) 6.801 15.682 ( -3.057 1.556 2.361) 4.164 15.750 ( 2.525 6.608 0.449) 7.088 15.886 ( 1.881 -7.848 -3.138) 8.659 16.079 ( -5.126 -0.117 3.367) 6.134 16.111 ( -1.258 -5.986 4.081) 7.353 16.277 ( 3.434 4.967 -0.229) 6.043 16.378 ( 3.380 -4.900 -1.052) 6.045 16.653 ( -0.813 4.250 0.952) 4.431 16.734 ( 5.073 -3.177 -1.083) 6.083 16.772 ( 1.081 1.004 -1.098) 1.839 16.815 ( 1.110 -2.326 -2.878) 3.863 19.194 ( -0.077 4.886 0.453) 4.908 19.292 ( 0.516 -4.020 -0.856) 4.143 19.473 ( 0.815 2.256 0.056) 2.399 19.569 ( 1.044 -6.661 -3.124) 7.431 21.047 ( -1.150 5.846 0.960) 6.035 21.129 ( 2.144 2.993 0.915) 3.794 21.152 ( -2.582 -1.884 -0.675) 3.267 21.245 ( 1.827 -5.924 1.091) 6.294 25.039 ( -0.229 1.233 2.382) 2.692 25.064 ( -0.799 -1.542 2.721) 3.228 25.393 ( 1.625 -0.239 1.783) 2.424 25.410 ( 2.297 -2.118 2.618) 4.076 26.016 ( -0.930 2.967 -1.967) 3.679 26.038 ( -0.378 0.585 -2.238) 2.344 26.212 ( -0.223 0.838 1.691) 1.901 26.221 ( -0.351 -0.039 1.508) 1.549 26.731 ( 3.104 0.842 0.843) 3.325 26.769 ( 6.045 -3.521 1.456) 7.145 27.053 ( 0.890 0.971 -0.738) 1.510 27.074 ( 2.199 -1.136 -1.780) 3.049 27.155 ( 0.106 4.192 3.758) 5.631 27.243 ( -2.269 -5.271 5.054) 7.647 27.370 ( 0.197 4.051 -1.660) 4.382 27.448 ( 0.106 -4.208 -1.877) 4.609 27.663 ( 1.992 7.932 0.901) 8.227 27.766 ( 4.020 1.422 -1.422) 4.495 27.841 ( -3.507 -0.545 0.574) 3.595 27.923 ( -1.366 -5.128 -2.446) 5.844 28.225 ( -3.183 6.731 0.135) 7.447 28.284 ( 1.193 3.493 0.375) 3.710 28.340 ( -1.236 -4.852 -0.965) 5.099 28.360 ( -1.513 -5.719 2.998) 6.632 28.472 ( -0.658 4.594 0.031) 4.641 28.552 ( 0.475 -2.828 0.223) 2.876 28.757 ( -3.979 -1.859 -2.171) 4.899 28.783 ( -7.297 -4.633 -0.784) 8.679 29.150 ( -7.599 5.363 4.007) 10.127 29.246 ( -8.872 -4.661 1.850) 10.191 29.520 ( 0.282 5.803 -4.490) 7.343 29.589 ( 3.824 -1.161 -5.397) 6.716 29.904 ( 2.825 6.320 1.084) 7.007 30.010 ( 2.827 -4.993 0.060) 5.738 30.070 ( -3.106 4.451 6.284) 8.304 30.171 ( 0.073 -6.920 6.311) 9.366 30.588 ( -8.241 3.766 -2.801) 9.484 30.696 ( -5.464 -7.721 -0.719) 9.486 31.063 ( 13.890 7.448 -2.936) 16.032 31.201 ( 15.514 -7.685 -4.602) 17.914 ======================= Grid point 63 (34/63) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 7.926 15.687 3.183) 17.862 1.741 ( -3.284 14.926 3.925) 15.779 1.901 ( -2.144 -0.457 -13.461) 13.638 1.985 ( -1.821 -1.254 -8.885) 9.156 1.993 ( -5.453 -3.220 -6.860) 9.336 2.075 ( -5.243 -7.881 -2.280) 9.737 2.244 ( -7.941 1.059 -7.088) 10.697 2.280 ( -0.822 -2.425 -5.777) 6.319 2.349 ( 4.979 2.243 -11.936) 13.126 2.476 ( 1.422 -10.564 -3.294) 11.157 2.617 ( 0.822 0.697 3.862) 4.010 2.652 ( 0.230 -3.236 5.706) 6.564 2.766 ( -2.738 1.254 2.657) 4.016 2.843 ( -2.732 -7.216 3.326) 8.402 2.914 ( 0.197 6.506 -1.518) 6.684 2.997 ( 2.106 -0.377 4.085) 4.612 3.065 ( -0.253 -0.193 -0.617) 0.694 3.109 ( 2.873 -2.495 3.113) 4.917 3.171 ( 8.170 5.954 5.050) 11.301 3.275 ( 4.633 -3.272 0.482) 5.693 3.389 ( 2.554 7.961 2.868) 8.839 3.452 ( 0.557 1.499 3.089) 3.478 3.638 ( 7.017 4.000 4.064) 9.042 3.704 ( 6.680 -1.447 -3.880) 7.860 3.785 ( -2.733 4.390 -1.727) 5.452 3.831 ( -0.474 4.696 -3.007) 5.597 3.902 ( 1.425 0.638 -4.236) 4.514 4.036 ( 0.299 -1.043 1.908) 2.195 4.087 ( 5.531 -0.992 0.667) 5.658 4.150 ( 5.601 -6.349 3.056) 9.001 4.204 ( -0.040 2.661 3.125) 4.105 4.285 ( 0.858 5.688 4.553) 7.336 4.334 ( -3.527 -2.325 -4.203) 5.959 4.347 ( 1.407 -0.121 -1.455) 2.027 4.389 ( 0.150 2.165 1.776) 2.805 4.454 ( 0.872 -0.593 4.027) 4.163 4.526 ( 3.593 1.425 2.252) 4.474 4.543 ( -1.692 -3.886 -3.742) 5.654 4.659 ( -2.619 -0.829 -0.747) 2.847 4.708 ( -5.147 -8.030 4.742) 10.652 4.881 ( -1.622 1.611 1.043) 2.513 4.913 ( -2.679 -2.703 0.804) 3.890 5.027 ( -4.743 1.753 2.355) 5.578 5.055 ( -2.389 -0.299 -0.488) 2.457 5.203 ( 1.443 1.110 -5.693) 5.977 5.217 ( 0.107 1.577 -1.570) 2.228 5.286 ( 2.059 1.832 0.548) 2.810 5.318 ( 0.458 0.713 1.283) 1.538 5.400 ( -1.925 3.435 -3.513) 5.277 5.473 ( -2.238 -4.323 -3.977) 6.286 5.537 ( -2.980 2.054 0.227) 3.626 5.576 ( -2.043 -1.633 0.879) 2.759 5.658 ( 1.575 -1.101 2.294) 2.993 5.706 ( 0.488 -6.053 -2.542) 6.583 5.894 ( -1.863 0.323 0.745) 2.032 5.908 ( -1.731 -1.229 -1.237) 2.457 6.018 ( 1.363 -0.358 -0.368) 1.456 6.037 ( 3.831 -2.688 -3.845) 6.057 6.156 ( -2.873 1.475 -1.233) 3.457 6.208 ( -0.611 -3.719 0.519) 3.805 6.324 ( -1.199 1.270 1.728) 2.457 6.356 ( -1.214 -2.316 1.154) 2.858 6.543 ( -3.374 1.993 2.130) 4.460 6.581 ( -2.678 -1.706 2.252) 3.893 6.775 ( -1.958 4.468 1.855) 5.219 6.859 ( -2.326 -3.740 2.827) 5.233 7.086 ( -2.198 4.863 -2.089) 5.731 7.168 ( -2.820 -1.918 -3.699) 5.031 7.335 ( -0.217 2.169 -0.918) 2.366 7.344 ( -0.807 1.556 -1.331) 2.201 7.436 ( 0.908 1.385 -2.489) 2.990 7.493 ( 1.387 -4.452 2.570) 5.325 7.728 ( -1.491 1.760 -0.911) 2.480 7.781 ( 0.618 -2.826 1.420) 3.223 7.895 ( -0.703 2.577 -1.234) 2.942 7.906 ( 0.307 1.486 -0.290) 1.545 8.208 ( -1.975 -1.905 3.158) 4.183 8.255 ( -1.936 -5.886 -0.746) 6.241 8.441 ( -1.997 5.551 -1.279) 6.036 8.477 ( -5.141 2.975 -0.064) 5.940 8.577 ( -6.545 2.553 0.889) 7.082 8.662 ( -6.557 -5.900 3.998) 9.685 8.736 ( -4.074 6.859 -0.097) 7.978 8.871 ( 0.187 -4.995 -1.894) 5.345 8.917 ( 1.737 5.127 -2.761) 6.077 9.001 ( -1.902 -2.804 -0.802) 3.482 9.100 ( -2.668 2.414 2.431) 4.342 9.141 ( 2.400 -0.720 -3.278) 4.126 9.249 ( 5.232 0.755 -0.334) 5.297 9.273 ( 1.194 -0.303 -0.561) 1.354 9.524 ( 0.379 0.747 0.428) 0.941 9.562 ( 0.707 1.587 1.502) 2.297 9.589 ( 1.836 -5.114 -1.130) 5.549 9.647 ( 1.240 -6.156 -1.012) 6.361 9.932 ( 2.171 6.974 1.979) 7.567 10.045 ( -0.515 -4.090 2.219) 4.681 10.146 ( 2.032 0.698 -1.192) 2.457 10.158 ( 4.168 -1.344 -2.900) 5.253 10.312 ( 1.551 3.912 -1.655) 4.522 10.373 ( 0.406 -1.680 0.345) 1.763 10.637 ( -3.146 -0.894 0.136) 3.273 10.688 ( -3.212 -4.203 -3.327) 6.249 10.753 ( 0.941 -0.644 0.650) 1.313 10.824 ( -2.029 -6.511 4.253) 8.037 11.057 ( -0.974 4.586 -4.878) 6.766 11.124 ( -1.971 -2.433 -4.190) 5.231 11.321 ( 3.381 5.642 2.016) 6.880 11.380 ( 3.666 -0.505 4.728) 6.004 11.952 ( 1.072 0.250 0.681) 1.294 11.973 ( 0.085 -2.088 2.104) 2.965 12.144 ( 3.186 1.184 1.106) 3.574 12.198 ( 2.291 -4.433 2.003) 5.377 12.340 ( -2.945 4.274 0.699) 5.237 12.412 ( -3.607 1.658 1.241) 4.159 12.435 ( -2.415 -2.247 -0.829) 3.402 12.484 ( -4.061 -1.627 0.417) 4.395 12.615 ( -0.052 2.590 5.513) 6.091 12.665 ( -0.234 -2.059 1.228) 2.409 12.713 ( -0.886 1.014 -0.910) 1.625 12.764 ( -2.465 -4.376 2.607) 5.659 12.878 ( -2.976 4.175 -3.275) 6.084 12.936 ( 0.727 -0.355 -0.974) 1.266 13.040 ( 2.495 -0.198 -2.347) 3.431 13.075 ( -4.490 -3.131 -2.860) 6.176 13.179 ( -1.975 0.342 1.700) 2.629 13.214 ( -1.055 -4.246 1.913) 4.775 13.319 ( -3.403 3.696 4.115) 6.494 13.402 ( -0.518 -4.683 5.372) 7.146 13.635 ( 8.227 1.769 -2.132) 8.681 13.662 ( 7.108 -1.387 -1.008) 7.312 13.889 ( 0.175 3.401 -4.313) 5.495 13.922 ( 0.589 1.212 -4.091) 4.308 14.210 ( -6.191 5.132 6.205) 10.157 14.250 ( -5.196 5.735 -2.779) 8.223 14.304 ( -6.043 -3.326 2.737) 7.422 14.380 ( -2.090 -4.649 -4.349) 6.700 14.633 ( -0.669 3.652 -3.347) 4.998 14.710 ( 1.004 -1.187 1.024) 1.862 14.750 ( 5.275 3.976 1.788) 6.843 14.842 ( 7.036 -4.884 -2.737) 8.992 15.166 ( 0.930 10.811 -4.554) 11.768 15.305 ( 1.109 -2.190 -0.491) 2.503 15.405 ( -0.040 3.820 -4.163) 5.650 15.455 ( 0.341 -0.768 -0.906) 1.236 15.600 ( -3.341 3.138 0.804) 4.653 15.635 ( -4.264 -0.770 1.490) 4.582 15.814 ( 3.359 7.987 1.717) 8.833 15.930 ( 3.605 -4.163 0.339) 5.517 16.014 ( -6.090 4.077 4.219) 8.457 16.108 ( -3.624 -6.646 4.039) 8.580 16.338 ( 3.243 3.354 -0.029) 4.665 16.424 ( 2.644 -5.898 -0.316) 6.471 16.663 ( 0.172 4.924 1.621) 5.187 16.782 ( 1.086 -6.967 0.343) 7.060 16.827 ( 5.857 -0.494 -3.107) 6.648 16.847 ( 5.672 -2.715 -1.582) 6.484 19.215 ( 0.816 4.399 1.430) 4.697 19.309 ( 1.053 -4.524 0.374) 4.660 19.475 ( -0.747 1.687 0.626) 1.948 19.547 ( -0.251 -4.939 -2.536) 5.558 21.044 ( 0.573 3.286 -0.126) 3.338 21.094 ( -2.213 -1.572 -1.115) 2.935 21.179 ( 1.763 4.238 0.946) 4.686 21.256 ( -1.124 -3.397 0.564) 3.622 25.056 ( -0.223 1.099 1.534) 1.900 25.075 ( -0.199 -0.855 0.974) 1.311 25.440 ( 2.136 1.055 0.922) 2.555 25.488 ( 2.987 -4.281 2.316) 5.711 25.991 ( -0.475 3.047 -0.471) 3.120 26.020 ( -0.188 0.120 -0.473) 0.523 26.221 ( -0.718 0.657 1.112) 1.478 26.224 ( -0.803 0.391 0.766) 1.177 26.741 ( 1.983 3.832 -4.856) 6.496 26.824 ( 3.283 -5.074 -4.878) 7.767 27.108 ( 0.659 -0.446 0.975) 1.259 27.116 ( 2.576 -1.440 2.853) 4.105 27.220 ( 3.155 2.565 3.683) 5.487 27.279 ( 1.252 -3.562 4.205) 5.651 27.388 ( 2.078 2.343 1.484) 3.466 27.441 ( 0.221 -3.331 0.251) 3.348 27.668 ( 0.915 5.880 -3.248) 6.779 27.757 ( -3.839 -3.153 -2.842) 5.724 27.862 ( 5.777 7.861 4.535) 10.758 27.971 ( 3.132 -3.657 4.730) 6.749 28.188 ( -2.237 7.392 1.603) 7.888 28.276 ( -3.131 2.481 -3.661) 5.418 28.316 ( 0.968 -1.607 0.349) 1.908 28.374 ( -1.222 -3.371 2.771) 4.531 28.428 ( -2.383 0.802 -1.930) 3.170 28.520 ( -5.553 -7.354 -1.728) 9.376 28.610 ( -5.836 0.597 -2.806) 6.503 28.667 ( -4.752 -4.132 -0.463) 6.314 29.055 ( -7.234 3.968 1.736) 8.431 29.121 ( -7.552 -2.239 2.068) 8.144 29.427 ( -4.492 8.537 -4.009) 10.446 29.562 ( 0.322 -4.796 -5.810) 7.541 29.951 ( 2.173 3.196 -0.774) 3.941 30.010 ( 0.264 -1.716 -3.112) 3.563 30.094 ( -3.658 2.040 8.220) 9.226 30.183 ( -4.622 -6.730 3.766) 8.991 30.477 ( -1.421 8.278 -1.629) 8.556 30.661 ( 1.376 -11.258 1.311) 11.417 31.278 ( 12.878 6.494 -2.652) 14.665 31.392 ( 11.364 -5.829 -4.649) 13.592 ======================= Grid point 64 (35/63) ======================= q-point: ( 0.38 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -0.539 7.223 -8.612) 11.254 1.668 ( -0.146 -4.513 -5.310) 6.971 1.826 ( -2.611 11.122 5.142) 12.528 1.915 ( 1.691 6.881 2.436) 7.493 1.963 ( -5.207 1.653 4.787) 7.263 2.023 ( -5.682 -6.777 1.970) 9.061 2.111 ( 3.882 1.522 -3.618) 5.521 2.242 ( 4.867 -9.171 -6.367) 12.179 2.387 ( 7.186 5.424 -5.818) 10.720 2.493 ( 2.830 -3.788 0.804) 4.796 2.631 ( 0.257 1.811 -1.632) 2.452 2.671 ( -1.093 -3.368 -0.058) 3.541 2.735 ( -1.382 0.105 2.662) 3.001 2.782 ( -1.313 -3.092 -2.119) 3.972 2.960 ( 0.012 -0.523 3.584) 3.622 3.013 ( -1.511 -3.912 0.920) 4.293 3.122 ( 3.420 4.365 3.217) 6.412 3.203 ( 3.797 -2.812 2.688) 5.436 3.271 ( -0.779 4.587 2.359) 5.217 3.316 ( -1.362 -2.391 0.955) 2.913 3.459 ( 1.380 4.115 0.361) 4.355 3.503 ( 3.801 1.397 1.273) 4.246 3.724 ( 0.211 5.776 1.704) 6.026 3.736 ( 2.343 3.859 -3.874) 5.948 3.782 ( 4.461 -0.317 -5.907) 7.409 3.834 ( 5.494 -0.502 -4.235) 6.955 3.963 ( 5.229 7.765 2.673) 9.736 4.076 ( 1.199 0.153 1.059) 1.607 4.120 ( -0.788 1.003 -1.861) 2.256 4.196 ( 2.059 1.513 -0.493) 2.602 4.222 ( -3.688 -0.527 -4.178) 5.598 4.250 ( 1.677 -0.656 -3.104) 3.588 4.312 ( -3.783 11.067 1.802) 11.834 4.359 ( 3.535 -9.684 1.234) 10.382 4.423 ( -5.649 -4.924 -2.488) 7.896 4.471 ( 1.384 2.284 2.757) 3.838 4.547 ( 0.864 -4.052 1.662) 4.464 4.589 ( 2.518 -0.261 2.907) 3.855 4.636 ( -0.644 -1.120 1.490) 1.972 4.650 ( -4.599 -2.964 0.417) 5.487 4.810 ( -7.969 -2.284 0.318) 8.296 4.835 ( -4.177 -2.901 -0.998) 5.183 4.963 ( -2.544 2.824 -1.735) 4.178 5.024 ( 0.463 -3.021 -1.512) 3.410 5.208 ( 1.843 3.402 -0.552) 3.908 5.258 ( 0.881 -0.924 4.046) 4.242 5.300 ( 1.153 3.932 -2.629) 4.868 5.347 ( 0.109 -0.543 -0.177) 0.582 5.365 ( 1.190 2.673 -1.214) 3.168 5.438 ( 1.891 -3.763 0.738) 4.275 5.475 ( -3.290 1.970 2.398) 4.523 5.537 ( -3.208 -4.503 1.019) 5.622 5.691 ( 0.161 0.464 0.035) 0.493 5.710 ( 1.591 -2.351 -1.752) 3.336 5.853 ( -2.619 1.023 -2.363) 3.672 5.892 ( -1.727 -2.412 1.790) 3.464 6.004 ( -1.231 -0.312 -0.685) 1.443 6.035 ( -2.175 -2.464 1.762) 3.729 6.145 ( 4.148 1.831 -2.003) 4.957 6.214 ( 1.321 -5.076 -0.346) 5.257 6.336 ( -0.838 -0.032 3.604) 3.701 6.353 ( -1.736 -2.052 3.485) 4.401 6.491 ( -3.699 2.530 0.585) 4.519 6.547 ( -2.882 -3.457 0.440) 4.522 6.764 ( -0.791 7.426 0.041) 7.469 6.882 ( 1.749 -3.192 2.734) 4.553 6.973 ( -4.629 3.949 -4.714) 7.697 7.075 ( -2.952 -4.929 -2.468) 6.253 7.320 ( -1.307 3.372 1.263) 3.830 7.347 ( 0.957 -0.213 0.079) 0.983 7.435 ( 0.593 2.481 -0.980) 2.733 7.540 ( -0.847 -8.310 4.453) 9.466 7.678 ( -0.541 6.570 -4.170) 7.800 7.789 ( 0.609 -4.166 -1.888) 4.614 7.846 ( -0.159 3.007 -5.589) 6.349 7.906 ( 0.141 -2.399 -1.851) 3.034 8.206 ( -0.573 1.979 1.633) 2.629 8.261 ( 2.030 -3.338 -0.392) 3.926 8.388 ( -5.485 7.447 1.030) 9.306 8.434 ( 1.509 4.944 0.808) 5.232 8.483 ( -3.780 -1.921 -1.267) 4.425 8.599 ( -4.837 -8.162 4.683) 10.580 8.654 ( -4.180 9.936 -0.780) 10.807 8.831 ( -1.783 -6.991 -1.346) 7.339 8.958 ( 4.365 3.238 -2.128) 5.837 8.979 ( 0.230 1.531 0.025) 1.549 9.097 ( -3.145 0.023 6.970) 7.647 9.142 ( 0.386 -3.825 -0.479) 3.874 9.288 ( 0.008 4.728 0.803) 4.795 9.347 ( 4.616 -1.223 0.853) 4.851 9.510 ( -0.444 2.044 -0.905) 2.279 9.574 ( -0.375 -4.535 2.496) 5.191 9.629 ( 1.048 -0.062 -0.485) 1.157 9.657 ( 2.510 -4.196 -1.490) 5.111 9.998 ( 2.635 5.484 1.954) 6.391 10.050 ( -1.590 0.708 1.656) 2.402 10.180 ( 1.980 -0.417 0.656) 2.127 10.198 ( 1.715 -3.340 0.000) 3.755 10.326 ( 3.483 5.772 -4.088) 7.884 10.386 ( 1.203 -1.089 0.303) 1.651 10.564 ( -3.752 -2.465 -1.026) 4.605 10.599 ( -1.129 -5.351 -4.382) 7.008 10.776 ( 0.238 -1.215 2.267) 2.583 10.831 ( -2.670 -5.901 4.602) 7.946 11.036 ( 2.038 3.792 -1.185) 4.466 11.092 ( 1.014 -1.769 -0.760) 2.176 11.380 ( 1.756 6.299 0.279) 6.545 11.449 ( 0.096 -0.445 1.840) 1.895 11.966 ( -0.126 0.375 -0.170) 0.431 11.991 ( -0.232 -2.289 1.209) 2.599 12.203 ( 1.724 4.618 -0.724) 4.982 12.233 ( -0.474 1.107 -1.167) 1.677 12.278 ( -2.416 -2.073 -1.426) 3.488 12.356 ( -1.587 -4.867 -1.803) 5.428 12.360 ( -2.941 0.566 -0.473) 3.032 12.464 ( -1.974 -6.741 2.260) 7.379 12.614 ( -2.954 1.131 -2.827) 4.242 12.622 ( -1.796 0.425 -1.238) 2.223 12.723 ( 0.664 2.371 -0.052) 2.463 12.785 ( 1.921 -3.558 -1.014) 4.169 12.803 ( -2.046 1.845 1.542) 3.157 12.904 ( -2.210 -7.150 1.621) 7.657 13.021 ( 1.161 4.244 -1.482) 4.643 13.082 ( 2.111 -0.580 -1.020) 2.415 13.169 ( -1.060 0.822 2.496) 2.833 13.207 ( -3.222 -2.699 3.259) 5.319 13.361 ( 1.158 2.888 5.160) 6.025 13.447 ( -0.123 -5.759 3.972) 6.997 13.736 ( 6.781 2.524 -3.105) 7.874 13.758 ( 5.783 -0.081 -4.994) 7.642 13.837 ( 0.490 3.734 -3.382) 5.062 13.894 ( 1.305 -0.911 -1.898) 2.477 14.108 ( -4.569 9.219 -4.264) 11.138 14.145 ( -6.377 3.742 1.404) 7.526 14.261 ( -5.600 -1.858 4.656) 7.516 14.313 ( -1.360 -4.496 -1.218) 4.853 14.602 ( -1.597 1.174 1.327) 2.385 14.693 ( -0.647 -5.733 0.132) 5.770 14.856 ( 3.931 7.093 -1.493) 8.246 14.938 ( 4.350 -2.110 -0.984) 4.934 15.173 ( 4.297 10.962 -3.490) 12.281 15.328 ( 2.529 -3.962 -1.134) 4.835 15.381 ( 0.754 3.619 -1.704) 4.070 15.448 ( 0.025 -3.193 -1.500) 3.528 15.559 ( -1.940 2.384 0.126) 3.076 15.579 ( -2.757 -0.455 -0.231) 2.804 15.883 ( 1.784 8.943 2.648) 9.495 15.961 ( -4.454 5.334 4.990) 8.555 15.994 ( 0.262 -1.858 3.945) 4.368 16.083 ( -3.555 -5.831 4.082) 7.956 16.381 ( 1.701 1.851 0.553) 2.574 16.465 ( 1.494 -7.618 1.399) 7.888 16.662 ( -0.511 6.911 -2.423) 7.342 16.798 ( 0.946 -7.043 -0.794) 7.151 16.893 ( 4.981 -0.253 -2.272) 5.480 16.940 ( 4.706 -4.983 0.462) 6.869 19.236 ( -0.078 3.636 1.338) 3.875 19.322 ( -0.142 -5.074 0.505) 5.101 19.462 ( -1.431 1.705 0.362) 2.255 19.520 ( -0.100 -4.102 -1.567) 4.392 21.064 ( 0.513 1.572 -0.486) 1.724 21.070 ( 0.983 0.815 1.676) 2.107 21.208 ( 0.293 1.959 1.208) 2.320 21.232 ( -1.937 -0.409 0.564) 2.059 25.060 ( -0.458 0.886 0.298) 1.040 25.075 ( -0.214 -0.737 -0.314) 0.829 25.475 ( 1.236 2.090 -0.116) 2.431 25.539 ( 1.014 -4.919 0.350) 5.035 25.989 ( -0.063 2.855 0.842) 2.977 26.019 ( -0.104 -0.189 0.604) 0.642 26.207 ( -0.965 0.819 -0.303) 1.301 26.212 ( -1.049 0.277 0.059) 1.086 26.731 ( 2.745 4.359 -5.242) 7.350 26.815 ( 2.921 -4.529 -7.045) 8.870 27.107 ( -0.399 0.808 -0.941) 1.303 27.149 ( 0.373 -3.763 -0.994) 3.910 27.308 ( 2.827 0.996 2.305) 3.781 27.335 ( 0.298 -1.831 2.637) 3.224 27.450 ( 0.507 0.127 3.584) 3.622 27.461 ( -0.749 -1.141 4.060) 4.283 27.671 ( 0.477 3.002 0.567) 3.092 27.715 ( 2.798 -1.798 -0.142) 3.328 28.031 ( -2.590 5.750 0.282) 6.313 28.037 ( 6.087 6.842 7.699) 11.964 28.095 ( -4.981 -0.073 -5.468) 7.397 28.175 ( -2.397 1.728 -3.949) 4.932 28.312 ( -3.744 -0.556 3.122) 4.906 28.365 ( 0.674 1.886 -1.943) 2.790 28.422 ( 1.096 -3.617 1.687) 4.139 28.434 ( 0.332 -9.223 3.819) 9.988 28.552 ( -1.995 2.269 0.620) 3.084 28.598 ( -3.552 -2.593 0.148) 4.400 28.941 ( -5.255 5.891 -2.072) 8.162 29.034 ( -4.295 -2.767 0.749) 5.164 29.327 ( -2.731 9.346 -2.271) 9.998 29.521 ( 0.837 -9.722 -2.778) 10.146 29.962 ( 0.798 1.947 -3.414) 4.010 29.969 ( -1.141 1.929 -1.844) 2.902 30.095 ( -3.917 -0.964 5.420) 6.757 30.139 ( -3.883 -6.441 4.347) 8.687 30.491 ( 1.646 11.385 1.746) 11.635 30.717 ( 1.872 -12.829 1.570) 13.059 31.422 ( 7.846 4.379 -4.913) 10.241 31.489 ( 6.289 -2.963 -5.872) 9.100 ======================= Grid point 65 (36/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 6.242 3.615 11.068) 13.210 1.780 ( 6.265 -4.427 8.784) 11.662 1.871 ( 1.477 5.384 8.218) 9.934 1.948 ( 1.117 6.999 4.568) 8.432 2.004 ( 2.331 -1.702 7.609) 8.138 2.034 ( 2.390 1.735 8.663) 9.152 2.190 ( 7.094 -2.040 -1.475) 7.528 2.279 ( 3.527 -4.723 -1.641) 6.119 2.466 ( 6.744 4.144 -2.636) 8.343 2.567 ( 3.304 -1.999 0.350) 3.877 2.634 ( -2.470 0.102 -1.661) 2.978 2.659 ( 2.050 2.922 3.521) 5.014 2.728 ( -2.698 -4.468 1.545) 5.443 2.773 ( -0.118 -4.203 2.675) 4.983 2.972 ( -0.342 0.876 -0.445) 1.040 2.998 ( -1.058 -2.458 -0.121) 2.678 3.146 ( -3.389 3.362 -1.682) 5.061 3.207 ( -4.653 -0.412 -0.953) 4.767 3.277 ( -0.501 -0.850 0.688) 1.203 3.301 ( -0.849 0.658 3.442) 3.606 3.467 ( 1.559 8.181 0.466) 8.342 3.580 ( 2.301 -3.230 2.135) 4.504 3.703 ( -0.762 12.273 -2.194) 12.491 3.733 ( -1.425 1.397 -1.688) 2.614 3.796 ( 2.780 -0.026 -2.086) 3.476 3.923 ( 5.890 -5.657 -0.464) 8.180 4.039 ( -6.484 8.596 -3.962) 11.473 4.053 ( 1.229 4.836 0.271) 4.997 4.073 ( -0.345 0.124 -3.192) 3.213 4.135 ( -3.359 3.590 -1.445) 5.124 4.142 ( -2.074 3.942 -7.826) 9.005 4.190 ( -2.049 1.539 -3.755) 4.546 4.265 ( 2.775 -2.014 -6.037) 6.943 4.373 ( -0.518 -1.843 0.997) 2.158 4.384 ( -6.286 -8.988 -3.406) 11.484 4.429 ( -0.477 -4.847 -2.597) 5.520 4.544 ( -3.566 2.145 0.115) 4.163 4.564 ( -0.159 -3.440 1.465) 3.743 4.612 ( -4.490 -1.485 0.479) 4.754 4.666 ( -1.103 -3.855 -1.499) 4.281 4.698 ( 1.018 2.276 1.361) 2.841 4.807 ( 1.432 -5.471 0.944) 5.733 4.920 ( 0.761 4.997 -3.041) 5.899 5.021 ( 0.773 -5.587 -1.613) 5.866 5.235 ( 1.975 4.143 0.020) 4.590 5.289 ( 0.341 3.314 0.580) 3.382 5.314 ( 2.750 -0.819 -1.358) 3.174 5.348 ( 0.942 0.055 -0.183) 0.962 5.390 ( 0.414 3.569 4.002) 5.378 5.464 ( -3.228 -2.739 2.194) 4.768 5.518 ( 3.021 0.068 3.789) 4.847 5.545 ( 1.515 -1.654 5.157) 5.623 5.662 ( -1.570 0.917 -3.110) 3.603 5.698 ( 0.297 -3.278 -2.850) 4.354 5.774 ( -0.458 1.462 -5.304) 5.521 5.857 ( -0.220 -7.340 -3.713) 8.229 6.010 ( -0.056 1.721 4.459) 4.780 6.045 ( -0.531 -1.743 3.682) 4.108 6.205 ( 2.539 0.725 0.003) 2.640 6.247 ( 2.103 -2.875 1.576) 3.895 6.352 ( -1.993 -1.045 2.454) 3.330 6.358 ( -2.001 -1.804 2.902) 3.960 6.454 ( -0.639 2.414 0.983) 2.684 6.507 ( -1.059 -2.858 -0.295) 3.062 6.746 ( -0.584 7.266 -0.155) 7.291 6.860 ( -2.927 -1.249 -2.493) 4.043 6.965 ( 3.890 0.464 0.870) 4.013 7.046 ( 1.626 -5.226 -1.110) 5.585 7.318 ( -0.775 3.054 1.622) 3.544 7.357 ( -0.448 -1.055 0.676) 1.331 7.440 ( 0.532 3.435 0.798) 3.566 7.547 ( -2.034 -3.664 2.616) 4.941 7.653 ( 2.386 2.076 -3.367) 4.620 7.753 ( -0.798 -5.126 -5.199) 7.344 7.789 ( 1.185 4.998 -6.787) 8.512 7.887 ( 1.479 -5.215 -4.410) 6.988 8.184 ( -3.385 5.638 0.240) 6.580 8.274 ( -0.476 -3.335 -1.153) 3.561 8.357 ( 0.450 7.050 2.343) 7.443 8.449 ( 1.960 -2.784 -0.225) 3.412 8.496 ( 2.409 4.099 3.381) 5.834 8.590 ( -0.392 6.974 -1.904) 7.240 8.619 ( -0.544 -2.587 6.242) 6.779 8.793 ( -0.994 -7.743 -1.589) 7.967 8.976 ( 0.021 2.814 -0.753) 2.913 9.015 ( 2.576 0.135 -0.756) 2.688 9.120 ( -2.906 -0.488 7.935) 8.464 9.169 ( 2.316 -5.972 1.717) 6.631 9.275 ( -1.883 8.134 -0.069) 8.349 9.392 ( -0.170 -4.127 0.090) 4.132 9.514 ( 0.270 5.759 1.536) 5.967 9.581 ( -1.672 0.058 0.506) 1.747 9.652 ( 1.245 -2.608 2.902) 4.095 9.683 ( 1.418 -4.574 -0.632) 4.830 10.011 ( -3.069 3.417 -0.254) 4.600 10.038 ( -0.428 1.903 1.143) 2.261 10.200 ( -0.704 -0.669 -0.225) 0.997 10.219 ( -0.226 -2.802 2.804) 3.971 10.357 ( 3.782 5.547 -2.806) 7.276 10.420 ( 1.725 -0.897 0.617) 2.040 10.518 ( -0.575 -1.387 -0.432) 1.562 10.587 ( 3.248 -7.074 -2.390) 8.143 10.815 ( 0.874 -3.524 3.880) 5.314 10.827 ( -2.418 -3.905 4.124) 6.173 11.084 ( 2.405 3.422 2.129) 4.693 11.135 ( 2.531 -1.366 2.851) 4.050 11.372 ( -1.620 4.641 -3.114) 5.819 11.412 ( -3.961 1.032 -2.501) 4.797 11.947 ( -0.504 1.050 -1.349) 1.783 11.987 ( -0.407 -2.922 0.179) 2.956 12.155 ( -0.542 5.870 -4.097) 7.179 12.206 ( -3.058 0.003 -3.230) 4.448 12.224 ( -0.363 -2.862 -2.753) 3.988 12.268 ( -1.481 -5.255 -5.311) 7.617 12.383 ( 0.524 -0.949 1.547) 1.889 12.460 ( -0.164 -7.907 1.672) 8.083 12.551 ( -1.389 2.782 -3.320) 4.549 12.581 ( 0.358 0.981 -1.614) 1.923 12.710 ( -1.078 3.271 -1.625) 3.808 12.753 ( 0.443 -2.697 -3.338) 4.314 12.848 ( -0.084 0.540 3.325) 3.370 12.920 ( 1.923 -5.941 1.337) 6.386 13.036 ( 0.956 4.404 0.730) 4.566 13.093 ( -0.102 -0.927 1.189) 1.511 13.183 ( -1.586 0.520 3.007) 3.439 13.201 ( 0.032 -1.783 2.397) 2.987 13.403 ( -2.223 1.699 3.720) 4.655 13.470 ( -2.019 -4.933 3.924) 6.619 13.753 ( 3.447 2.524 -6.633) 7.890 13.770 ( 2.059 0.562 -4.250) 4.756 13.884 ( 2.383 2.777 0.659) 3.718 13.953 ( 3.451 -3.966 -1.290) 5.413 14.024 ( -0.093 3.226 -2.316) 3.973 14.041 ( -5.867 2.271 1.239) 6.412 14.205 ( -2.424 6.447 2.808) 7.438 14.315 ( 1.930 -3.701 0.214) 4.180 14.593 ( -0.422 3.150 -0.096) 3.179 14.700 ( 0.545 -6.681 -0.267) 6.709 14.860 ( 0.123 7.445 -2.597) 7.886 14.957 ( -0.036 -3.237 -1.554) 3.591 15.223 ( 4.332 8.986 -2.553) 10.298 15.353 ( 1.536 -3.556 -2.468) 4.593 15.399 ( 1.886 1.787 1.022) 2.792 15.426 ( -1.150 -1.069 -0.345) 1.607 15.534 ( -0.261 2.402 -0.646) 2.501 15.554 ( 1.000 -0.061 -1.856) 2.109 15.921 ( -1.049 9.736 3.153) 10.288 15.945 ( -3.048 6.184 5.396) 8.755 16.033 ( -1.364 -3.269 5.843) 6.832 16.079 ( -1.554 -5.574 3.855) 6.953 16.414 ( 1.022 2.450 0.958) 2.822 16.503 ( 0.202 -7.683 2.995) 8.249 16.600 ( -1.871 9.209 -4.724) 10.517 16.789 ( -0.600 -10.349 -1.442) 10.466 16.940 ( 1.932 0.587 -1.182) 2.339 16.993 ( 0.914 -4.823 -0.195) 4.913 19.241 ( -0.710 2.821 1.210) 3.151 19.320 ( -0.233 -5.294 -0.004) 5.299 19.440 ( -0.736 3.050 -0.262) 3.148 19.518 ( 1.220 -5.170 -0.808) 5.373 21.080 ( 0.067 3.498 2.347) 4.213 21.123 ( 1.807 -0.870 2.822) 3.462 21.198 ( -1.264 2.584 0.341) 2.896 21.226 ( -0.193 -0.343 0.873) 0.958 25.048 ( -0.679 0.671 -0.616) 1.136 25.060 ( -0.607 -0.637 -1.223) 1.506 25.477 ( -0.391 1.852 -0.882) 2.088 25.526 ( -1.404 -3.542 -1.818) 4.221 26.006 ( 0.312 2.482 2.226) 3.349 26.032 ( 0.390 -0.190 1.832) 1.883 26.188 ( -0.403 0.740 -1.384) 1.620 26.191 ( -0.771 0.380 -1.211) 1.486 26.727 ( 2.342 2.926 -4.373) 5.759 26.789 ( 2.294 -3.524 -7.009) 8.174 27.084 ( -0.441 -0.081 -1.994) 2.044 27.117 ( -0.703 -3.538 -4.126) 5.481 27.343 ( -1.552 0.355 1.627) 2.276 27.355 ( 0.325 -0.974 0.968) 1.411 27.467 ( -1.840 0.796 4.015) 4.488 27.481 ( -1.687 -0.818 4.233) 4.629 27.697 ( -0.576 5.391 2.991) 6.192 27.770 ( -1.826 -2.230 2.435) 3.773 27.920 ( -0.096 3.282 -4.572) 5.628 27.963 ( -2.874 -1.380 -6.336) 7.093 28.152 ( -0.011 4.919 1.366) 5.106 28.220 ( 4.188 -1.513 4.828) 6.568 28.322 ( 0.684 1.744 3.901) 4.328 28.366 ( 1.278 -0.042 0.050) 1.280 28.454 ( -0.661 0.311 2.327) 2.439 28.500 ( -0.659 -3.352 4.184) 5.401 28.534 ( -1.856 1.339 3.215) 3.946 28.589 ( 2.974 -4.483 2.411) 5.895 28.860 ( 0.136 6.571 -4.285) 7.846 28.982 ( -1.071 -5.745 -2.205) 6.246 29.308 ( 1.862 12.173 0.407) 12.321 29.547 ( 3.626 -12.152 -0.448) 12.690 29.907 ( -0.722 4.772 -3.569) 6.003 29.959 ( -0.440 0.729 -0.835) 1.193 30.076 ( -2.906 0.720 3.730) 4.783 30.160 ( 1.337 -7.038 3.915) 8.164 30.531 ( -0.989 8.680 4.063) 9.635 30.727 ( -2.073 -11.778 0.423) 11.966 31.440 ( 1.428 4.138 -7.150) 8.384 31.503 ( 3.111 -2.744 -7.118) 8.239 ======================= Grid point 66 (37/63) ======================= q-point: (-0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -12.460 9.958 3.732) 16.381 1.840 ( -1.011 -8.489 1.356) 8.656 1.981 ( -9.143 6.352 3.960) 11.817 2.043 ( -2.217 -0.215 -0.619) 2.312 2.132 ( 3.899 2.754 1.652) 5.051 2.227 ( 3.896 -6.381 2.332) 7.832 2.281 ( 6.887 5.799 1.572) 9.140 2.412 ( 5.709 -6.683 2.521) 9.144 2.457 ( -4.839 3.472 -4.578) 7.512 2.572 ( 5.753 -7.731 -2.642) 9.993 2.653 ( 4.880 -0.212 5.983) 7.724 2.676 ( -4.229 -1.247 3.274) 5.492 2.728 ( 1.810 2.107 -0.181) 2.784 2.792 ( -4.452 -3.816 5.509) 8.046 2.911 ( -5.950 3.061 -0.478) 6.708 2.977 ( -3.564 -3.295 3.003) 5.707 3.081 ( 2.212 4.886 -3.359) 6.328 3.131 ( 1.878 0.549 -4.696) 5.087 3.244 ( -5.027 4.779 -2.027) 7.227 3.276 ( -6.741 1.303 3.993) 7.943 3.509 ( -1.994 7.397 5.557) 9.464 3.532 ( -9.082 3.379 -0.442) 9.700 3.669 ( -5.457 4.692 -1.656) 7.385 3.731 ( 3.947 3.782 1.242) 5.606 3.816 ( -3.730 9.234 -3.656) 10.609 3.824 ( -0.865 0.618 1.191) 1.596 3.939 ( -4.521 -3.971 -1.972) 6.333 3.987 ( -3.031 -5.467 -8.233) 10.337 4.056 ( 1.860 1.964 -2.842) 3.923 4.097 ( -0.971 1.319 0.189) 1.649 4.105 ( 1.608 0.970 -5.278) 5.602 4.167 ( 3.198 -5.805 -1.286) 6.751 4.213 ( 1.598 0.679 -5.555) 5.820 4.296 ( 1.489 -6.221 -0.453) 6.413 4.338 ( -3.698 1.595 -2.697) 4.847 4.383 ( 0.668 -1.555 0.047) 1.693 4.489 ( -0.714 0.235 -2.019) 2.155 4.576 ( 4.080 -0.862 2.763) 5.003 4.627 ( -1.345 -3.500 1.012) 3.884 4.686 ( 4.046 -3.660 5.235) 7.561 4.756 ( 3.595 5.766 -1.442) 6.946 4.878 ( 5.069 -5.389 0.787) 7.440 4.933 ( 2.636 2.839 -1.268) 4.076 5.003 ( -1.789 -4.472 -0.885) 4.898 5.263 ( 1.591 5.231 -3.125) 6.297 5.297 ( 1.852 1.304 1.204) 2.565 5.353 ( 2.801 0.672 -1.579) 3.285 5.400 ( 6.003 -3.478 -1.869) 7.185 5.432 ( -3.545 2.054 6.178) 7.413 5.455 ( -0.841 0.177 7.409) 7.459 5.578 ( 0.729 0.167 -1.550) 1.721 5.592 ( 0.927 -1.064 -1.599) 2.133 5.640 ( 3.347 3.458 3.603) 6.012 5.723 ( 1.755 -2.611 3.730) 4.880 5.764 ( 5.658 -1.837 -5.948) 8.413 5.833 ( 2.924 -6.875 -6.131) 9.665 6.064 ( -1.018 -0.369 3.714) 3.869 6.076 ( -0.249 -1.687 4.652) 4.954 6.220 ( -1.870 1.748 0.540) 2.616 6.253 ( -1.042 -1.403 -2.337) 2.919 6.325 ( -0.703 0.882 0.347) 1.180 6.361 ( 0.228 -2.541 0.775) 2.666 6.481 ( 0.763 1.607 2.982) 3.472 6.510 ( -0.173 -1.100 2.261) 2.521 6.761 ( 0.806 3.867 2.077) 4.463 6.826 ( -0.025 -0.937 0.983) 1.358 6.995 ( 1.180 1.624 -3.834) 4.328 7.094 ( 5.032 -7.263 -3.299) 9.432 7.320 ( -0.164 3.735 -0.049) 3.739 7.356 ( -0.145 0.209 0.941) 0.975 7.473 ( 1.138 5.703 2.879) 6.489 7.546 ( 0.287 0.585 0.558) 0.858 7.660 ( 0.202 -1.635 -5.086) 5.346 7.696 ( 2.100 -5.861 -3.992) 7.396 7.758 ( 1.845 4.365 -3.333) 5.794 7.858 ( 0.747 -6.251 -5.485) 8.350 8.147 ( -0.273 6.207 1.028) 6.297 8.256 ( 0.433 -5.116 -0.338) 5.146 8.406 ( 1.290 6.846 2.382) 7.363 8.485 ( -0.110 -0.662 0.493) 0.832 8.578 ( 2.618 4.219 3.760) 6.229 8.609 ( 5.042 6.653 -1.667) 8.513 8.693 ( 1.545 -4.646 4.761) 6.829 8.770 ( 1.223 -5.858 -2.353) 6.430 8.966 ( 1.087 2.010 -1.508) 2.738 9.029 ( -0.647 -3.100 0.918) 3.297 9.158 ( -1.686 2.854 6.030) 6.881 9.223 ( -0.276 2.304 0.398) 2.355 9.249 ( 2.583 0.047 -1.269) 2.878 9.368 ( -2.417 -6.025 0.715) 6.531 9.510 ( -2.506 5.800 0.470) 6.336 9.548 ( -1.998 1.336 1.059) 2.627 9.676 ( -1.836 -1.630 1.581) 2.920 9.698 ( -0.622 -4.301 0.373) 4.362 9.961 ( -2.730 2.002 1.679) 3.779 10.022 ( -1.417 -2.699 -0.093) 3.050 10.172 ( -1.739 2.715 -0.611) 3.282 10.231 ( -1.488 -3.545 2.371) 4.517 10.374 ( 0.961 3.796 -2.120) 4.453 10.430 ( -0.923 -2.296 -0.627) 2.553 10.533 ( 1.740 2.215 0.348) 2.838 10.630 ( 3.785 -6.957 -2.393) 8.274 10.819 ( -2.745 -0.630 3.276) 4.320 10.885 ( 0.286 -7.289 4.525) 8.584 11.154 ( 1.988 5.352 3.270) 6.579 11.228 ( 1.943 -2.014 1.730) 3.290 11.272 ( -1.963 2.888 -2.556) 4.327 11.297 ( -3.324 0.894 -3.518) 4.921 11.950 ( 0.829 2.375 0.707) 2.612 11.997 ( -0.157 -2.079 1.298) 2.456 12.093 ( -2.917 1.467 -4.753) 5.766 12.110 ( -2.059 -1.382 -2.052) 3.219 12.204 ( 2.919 -1.679 -3.300) 4.714 12.235 ( 3.534 -3.381 -5.187) 7.129 12.396 ( 0.589 2.676 -1.466) 3.107 12.474 ( -0.954 -5.759 1.478) 6.022 12.508 ( -0.996 5.405 0.975) 5.582 12.597 ( 1.919 -1.446 0.203) 2.411 12.688 ( 1.472 1.503 -2.319) 3.131 12.723 ( -0.176 -3.309 -2.944) 4.432 12.873 ( 0.677 4.212 1.849) 4.650 12.980 ( 4.085 -6.377 -0.404) 7.584 13.063 ( 0.405 3.819 1.521) 4.131 13.120 ( 0.762 -2.336 2.254) 3.335 13.184 ( -1.390 1.115 3.034) 3.518 13.234 ( 0.718 -4.014 2.154) 4.611 13.373 ( -4.282 3.584 3.699) 6.698 13.451 ( -4.876 -4.347 4.306) 7.823 13.731 ( -0.263 3.127 -5.008) 5.910 13.775 ( 1.632 -0.271 -2.787) 3.241 13.801 ( -8.369 2.660 -3.833) 9.582 13.896 ( -0.307 -6.265 -7.891) 10.080 13.987 ( -1.532 4.879 0.377) 5.128 14.076 ( 2.842 -4.663 0.603) 5.494 14.317 ( 8.262 7.325 6.144) 12.636 14.403 ( 6.604 -0.871 2.407) 7.083 14.592 ( 1.772 4.462 -1.931) 5.175 14.663 ( -1.544 -1.188 -5.204) 5.557 14.855 ( -0.090 3.229 1.855) 3.725 14.932 ( -0.776 -4.093 -1.200) 4.335 15.254 ( 2.437 6.915 -3.048) 7.940 15.342 ( 0.322 -1.610 -0.892) 1.868 15.414 ( -0.719 2.283 1.100) 2.634 15.453 ( 3.237 -2.158 0.139) 3.893 15.546 ( 2.209 2.632 -0.730) 3.513 15.563 ( 2.187 0.178 -1.536) 2.678 15.907 ( -3.534 10.331 3.232) 11.387 15.974 ( -0.420 4.941 5.362) 7.303 16.076 ( -0.785 -4.304 6.325) 7.691 16.091 ( -1.516 -6.610 3.360) 7.568 16.402 ( -2.643 5.812 -2.012) 6.694 16.499 ( -0.954 -4.725 -4.157) 6.366 16.562 ( -0.676 7.506 4.376) 8.715 16.767 ( -1.080 -12.000 0.682) 12.068 16.932 ( -0.981 -0.266 -1.221) 1.589 16.965 ( -2.973 -3.542 -1.212) 4.780 19.239 ( -1.028 2.527 1.634) 3.180 19.318 ( 0.144 -5.641 -0.035) 5.643 19.441 ( 0.909 4.408 0.042) 4.501 19.544 ( 2.714 -6.561 -0.933) 7.162 21.085 ( -2.085 5.235 1.413) 5.810 21.158 ( -1.417 -2.432 2.769) 3.948 21.211 ( 1.416 2.393 1.245) 3.046 21.230 ( 0.200 -0.042 0.176) 0.270 25.026 ( -1.004 0.308 -0.813) 1.328 25.033 ( -1.003 -0.384 -1.056) 1.506 25.448 ( -2.014 0.731 -0.696) 2.253 25.468 ( -2.640 -1.277 -1.905) 3.497 26.045 ( 0.750 2.410 3.740) 4.512 26.071 ( 1.004 -0.398 3.430) 3.596 26.161 ( -0.235 0.581 -2.831) 2.899 26.162 ( -0.334 0.414 -2.710) 2.762 26.713 ( 0.685 1.011 -4.317) 4.487 26.749 ( 0.856 -2.859 -6.801) 7.427 27.041 ( -1.037 1.109 -2.805) 3.189 27.086 ( 0.834 -3.769 -1.378) 4.099 27.307 ( -3.996 1.515 1.337) 4.478 27.344 ( -2.906 -2.357 1.521) 4.038 27.475 ( -3.099 2.032 5.593) 6.709 27.504 ( -0.900 -1.073 4.565) 4.775 27.675 ( -2.541 5.714 -2.441) 6.712 27.736 ( -0.597 -0.180 1.046) 1.217 27.881 ( -0.718 2.478 -3.702) 4.513 27.947 ( 1.999 -4.001 1.810) 4.825 28.181 ( 0.682 5.241 3.201) 6.179 28.276 ( 1.193 -4.831 1.347) 5.155 28.341 ( -2.047 2.696 -2.297) 4.091 28.375 ( 0.427 -0.445 0.741) 0.964 28.468 ( -2.289 2.086 2.787) 4.166 28.513 ( 0.317 -1.274 2.076) 2.456 28.600 ( 3.526 3.318 3.635) 6.055 28.696 ( 4.254 -5.902 4.172) 8.386 28.865 ( 5.099 3.487 -3.447) 7.074 28.964 ( 3.605 -6.555 -3.860) 8.418 29.391 ( 5.703 12.896 1.925) 14.231 29.607 ( 5.063 -9.096 -3.580) 11.009 29.875 ( -1.048 4.680 -0.755) 4.855 29.929 ( -1.121 -0.506 -2.134) 2.463 30.088 ( -0.154 5.740 3.813) 6.893 30.249 ( 3.425 -10.399 4.264) 11.749 30.536 ( -3.199 3.902 4.554) 6.797 30.666 ( -4.278 -9.076 -0.117) 10.035 31.346 ( -3.423 6.325 -7.057) 10.076 31.454 ( -0.169 -5.378 -7.599) 9.311 ======================= Grid point 67 (38/63) ======================= q-point: (-0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -12.817 18.313 3.114) 22.568 1.567 ( -24.825 10.703 -17.646) 32.284 1.784 ( -16.811 -10.958 -13.591) 24.237 1.819 ( -3.463 -15.479 -5.393) 16.753 2.072 ( -3.081 5.194 -4.290) 7.408 2.184 ( -6.979 -6.165 -1.614) 9.451 2.264 ( -0.153 5.325 -1.663) 5.581 2.384 ( 0.332 -5.171 -3.070) 6.023 2.498 ( -8.795 3.756 4.098) 10.404 2.553 ( -0.909 -0.621 1.748) 2.065 2.665 ( -0.813 1.582 -7.245) 7.460 2.725 ( -2.235 -4.558 -3.599) 6.223 2.835 ( -2.757 4.075 4.383) 6.589 2.843 ( 4.637 1.382 4.403) 6.542 2.871 ( 4.724 1.670 6.336) 8.078 2.910 ( -3.937 1.361 4.688) 6.271 3.074 ( -4.507 5.512 -3.660) 8.006 3.095 ( -2.509 6.098 2.620) 7.095 3.142 ( -1.473 -0.326 -4.349) 4.604 3.204 ( -0.654 -2.732 2.047) 3.476 3.387 ( -2.938 1.028 -3.849) 4.950 3.491 ( -6.028 -5.044 1.541) 8.009 3.590 ( -4.588 8.863 7.119) 12.259 3.662 ( -9.505 -1.451 2.952) 10.058 3.780 ( -3.586 -2.603 -0.358) 4.445 3.823 ( -4.229 -2.947 -5.075) 7.234 3.857 ( 5.626 9.803 0.623) 11.320 3.974 ( 4.816 0.738 -3.506) 6.002 4.039 ( 0.373 1.837 -0.022) 1.875 4.072 ( -0.339 -0.430 0.156) 0.569 4.146 ( 6.600 0.232 -0.551) 6.627 4.205 ( 2.971 -2.118 -0.230) 3.656 4.262 ( -0.498 1.642 -1.638) 2.372 4.327 ( 3.585 -7.971 1.335) 8.842 4.347 ( 4.072 0.609 0.245) 4.124 4.401 ( 4.785 -5.030 -0.108) 6.943 4.571 ( 5.897 2.556 0.810) 6.478 4.603 ( -0.375 3.363 -1.228) 3.600 4.696 ( 3.402 0.562 5.424) 6.427 4.788 ( 1.795 -1.716 1.924) 3.141 4.829 ( 6.411 2.161 1.434) 6.916 4.938 ( -0.842 -1.328 -1.570) 2.222 4.955 ( -1.204 0.006 1.619) 2.017 4.976 ( 5.141 -7.178 -2.234) 9.107 5.276 ( 2.137 4.977 -1.808) 5.710 5.358 ( 3.417 -3.234 0.127) 4.707 5.386 ( 1.363 3.069 0.164) 3.362 5.420 ( -1.156 -0.572 -0.957) 1.606 5.463 ( 1.830 2.817 4.362) 5.506 5.531 ( 1.934 -3.463 5.621) 6.880 5.614 ( 2.576 1.074 0.049) 2.792 5.630 ( 3.891 -0.682 0.620) 3.998 5.746 ( 1.514 2.052 5.138) 5.736 5.768 ( 4.663 -0.079 -4.058) 6.183 5.836 ( 6.053 -3.808 -4.784) 8.604 5.841 ( 5.372 -5.155 -2.004) 7.711 5.997 ( -6.485 3.226 -2.451) 7.646 6.070 ( -3.092 -3.959 -0.676) 5.069 6.201 ( -0.488 -0.376 0.109) 0.625 6.219 ( 0.666 -1.553 -1.862) 2.514 6.354 ( -0.237 1.372 4.707) 4.909 6.391 ( 2.178 -1.946 2.762) 4.020 6.515 ( -0.298 1.641 2.112) 2.691 6.538 ( 0.503 -0.797 2.700) 2.860 6.783 ( -1.347 2.675 2.300) 3.777 6.853 ( -0.766 -3.801 3.119) 4.977 6.961 ( 1.802 6.430 -5.918) 8.923 7.114 ( 2.844 -8.987 -6.857) 11.656 7.315 ( 0.715 5.228 -1.064) 5.383 7.364 ( 0.075 0.143 0.059) 0.172 7.507 ( -0.521 5.279 -0.624) 5.341 7.559 ( 0.689 -0.826 -0.415) 1.153 7.613 ( 1.971 2.777 -3.213) 4.682 7.693 ( 2.200 -3.784 -4.630) 6.371 7.795 ( 1.810 0.066 2.248) 2.886 7.830 ( 1.212 -2.794 -1.100) 3.238 8.207 ( 3.925 4.416 3.067) 6.657 8.291 ( 4.532 -3.843 -1.820) 6.215 8.435 ( 0.317 3.579 1.741) 3.993 8.468 ( -1.379 0.484 0.188) 1.473 8.639 ( 0.943 1.632 3.333) 3.829 8.670 ( 1.281 0.330 0.778) 1.535 8.747 ( 2.366 2.505 1.066) 3.607 8.827 ( 7.052 -4.157 -1.608) 8.343 8.994 ( 3.536 0.289 -2.320) 4.239 9.023 ( -1.582 -1.263 0.935) 2.230 9.137 ( -4.595 5.931 1.675) 7.688 9.212 ( -0.259 3.435 -1.572) 3.787 9.282 ( 1.114 -3.812 -1.246) 4.162 9.341 ( -0.378 -7.015 -0.709) 7.060 9.464 ( -3.096 5.995 1.545) 6.922 9.547 ( -0.661 -2.470 3.133) 4.044 9.624 ( -2.928 -0.404 -1.604) 3.363 9.655 ( -3.199 -4.953 -1.613) 6.113 9.944 ( -2.977 1.634 2.869) 4.445 10.002 ( -1.294 -3.353 0.258) 3.603 10.135 ( -0.678 4.003 -2.515) 4.776 10.213 ( -2.323 -4.008 0.790) 4.700 10.356 ( -0.577 1.877 -1.990) 2.796 10.394 ( -2.803 -2.208 0.859) 3.670 10.563 ( 1.443 3.021 0.184) 3.353 10.658 ( 2.037 -6.540 -1.691) 7.055 10.789 ( -2.544 2.083 0.705) 3.363 10.879 ( -3.853 -6.461 1.429) 7.657 11.112 ( -2.524 2.187 -4.940) 5.963 11.151 ( -1.397 -2.252 -4.444) 5.175 11.333 ( 3.947 4.682 5.295) 8.096 11.396 ( 3.363 -1.656 7.218) 8.133 11.911 ( -3.595 1.511 -0.749) 3.971 11.976 ( -3.064 -5.239 -2.682) 6.635 12.055 ( 1.837 5.000 3.897) 6.600 12.134 ( 2.050 -2.485 2.406) 4.021 12.254 ( 4.915 1.489 -5.070) 7.216 12.266 ( 5.997 -0.382 -1.671) 6.237 12.371 ( -1.209 4.398 -0.742) 4.621 12.455 ( -1.367 -3.494 0.949) 3.870 12.558 ( 2.080 4.614 3.240) 6.009 12.640 ( 2.852 -0.088 -0.069) 2.855 12.692 ( 1.061 -0.138 -1.810) 2.102 12.727 ( 3.008 -6.500 -0.437) 7.176 12.916 ( 1.507 6.884 1.917) 7.303 13.034 ( 3.091 -2.865 -1.908) 4.626 13.073 ( 0.453 1.134 0.039) 1.222 13.141 ( -1.503 -3.429 2.313) 4.401 13.213 ( 2.864 1.402 1.171) 3.397 13.236 ( -2.221 -2.400 1.563) 3.624 13.386 ( -1.146 -1.266 6.390) 6.614 13.405 ( -5.302 -2.402 5.958) 8.329 13.583 ( -10.074 3.093 -3.717) 11.175 13.619 ( -7.283 -0.087 -2.466) 7.690 13.773 ( 2.507 1.869 -5.188) 6.058 13.853 ( 5.019 -6.617 -8.752) 12.065 13.983 ( 1.678 7.493 -1.311) 7.789 14.129 ( 3.006 -8.710 -0.624) 9.235 14.500 ( 4.895 7.296 1.838) 8.976 14.534 ( 4.422 3.535 2.421) 6.158 14.590 ( -1.166 2.185 -1.210) 2.756 14.629 ( 3.461 -0.976 0.824) 3.689 14.868 ( -0.539 3.582 0.560) 3.665 14.911 ( 0.379 -2.945 -1.834) 3.490 15.253 ( 2.584 6.846 -4.896) 8.804 15.362 ( 1.967 -2.186 0.078) 2.942 15.415 ( 0.100 2.984 -0.072) 2.986 15.492 ( 2.257 -5.942 -2.521) 6.838 15.588 ( 2.784 3.681 0.411) 4.633 15.626 ( 5.541 -0.269 1.999) 5.897 15.874 ( -4.456 10.755 3.739) 12.228 16.020 ( -1.097 0.865 5.633) 5.804 16.094 ( -1.013 -7.136 1.971) 7.472 16.111 ( -2.423 -3.685 4.052) 5.988 16.313 ( -3.362 6.066 -2.844) 7.496 16.420 ( -2.253 -4.947 -5.026) 7.403 16.615 ( 0.703 6.620 3.751) 7.641 16.757 ( -1.179 -8.434 -0.103) 8.517 16.892 ( -3.635 -0.422 0.513) 3.695 16.906 ( -1.189 -2.184 0.749) 2.597 19.245 ( -0.612 2.457 2.585) 3.619 19.327 ( 0.199 -6.064 1.342) 6.214 19.460 ( 1.112 5.272 -0.703) 5.434 19.584 ( 3.043 -7.823 -1.722) 8.569 21.048 ( -2.409 6.268 -0.141) 6.716 21.143 ( -1.952 -3.995 0.359) 4.461 21.212 ( -2.306 2.966 1.088) 3.912 21.247 ( 0.257 -0.582 0.485) 0.800 25.003 ( -1.186 0.309 0.690) 1.406 25.014 ( -0.823 -0.805 0.789) 1.396 25.393 ( -3.138 1.455 -0.233) 3.467 25.418 ( -2.577 -1.199 0.588) 2.903 26.095 ( 0.230 1.527 2.314) 2.782 26.109 ( -0.511 -0.317 -0.766) 0.974 26.140 ( 1.725 1.154 -1.066) 2.333 26.143 ( 1.316 0.608 1.196) 1.879 26.654 ( -2.436 -0.261 -4.869) 5.451 26.675 ( -1.119 -2.566 -6.580) 7.150 27.028 ( 1.175 3.698 -0.258) 3.889 27.104 ( 1.033 -4.729 1.272) 5.005 27.249 ( -4.427 2.176 1.948) 5.304 27.296 ( -5.052 -2.878 2.842) 6.472 27.467 ( -3.882 3.278 4.693) 6.917 27.524 ( -2.095 -2.824 3.728) 5.125 27.619 ( -0.083 6.316 -2.936) 6.965 27.724 ( 0.219 -4.832 -4.371) 6.520 27.899 ( 2.714 6.568 5.187) 8.798 28.003 ( 1.169 -5.133 3.453) 6.296 28.227 ( 1.133 4.871 2.648) 5.659 28.285 ( -0.860 3.293 -2.640) 4.307 28.305 ( 0.101 -2.143 0.687) 2.253 28.377 ( 0.033 -5.454 -0.042) 5.454 28.448 ( -0.365 5.223 -0.435) 5.254 28.520 ( -0.133 0.589 -0.849) 1.042 28.676 ( 3.375 1.286 -0.449) 3.640 28.754 ( 1.763 -6.060 -2.071) 6.643 28.977 ( 8.240 3.133 2.184) 9.082 29.067 ( 9.603 -5.916 0.590) 11.295 29.503 ( 5.495 9.455 -1.298) 11.012 29.645 ( 5.869 -4.346 -7.237) 10.281 29.822 ( -4.395 4.614 -0.798) 6.422 29.889 ( -1.840 -1.141 -0.995) 2.383 30.124 ( -1.442 6.788 4.341) 8.185 30.290 ( -6.416 -11.636 4.793) 14.125 30.544 ( 2.907 1.163 0.607) 3.189 30.629 ( 0.613 -7.366 0.951) 7.452 31.201 ( -6.133 8.484 -4.751) 11.497 31.348 ( -3.912 -7.688 -6.502) 10.802 ======================= Grid point 68 (39/63) ======================= q-point: (-0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -13.368 20.215 -3.478) 24.484 1.314 ( -6.861 17.693 3.018) 19.215 1.397 ( -9.608 -10.631 -1.498) 14.407 1.746 ( -2.824 -19.108 -1.674) 19.388 2.003 ( -4.000 7.641 4.603) 9.776 2.083 ( -4.172 -1.457 2.735) 5.197 2.252 ( 0.583 5.001 -1.254) 5.189 2.356 ( -0.221 -4.963 -3.725) 6.209 2.371 ( -7.348 10.061 3.146) 12.849 2.513 ( 0.324 7.948 -3.500) 8.690 2.576 ( -5.664 -6.423 4.180) 9.530 2.655 ( 1.317 -7.007 -4.037) 8.193 2.778 ( -0.145 7.914 -3.616) 8.702 2.902 ( -4.063 -2.101 -0.037) 4.574 2.946 ( 1.638 -0.068 1.353) 2.126 2.965 ( 1.984 -2.449 0.498) 3.192 3.001 ( -1.885 3.748 -0.898) 4.291 3.044 ( -2.736 -0.491 -0.185) 2.786 3.154 ( 2.370 3.236 4.785) 6.244 3.238 ( 0.111 0.421 2.560) 2.596 3.331 ( -0.680 -0.992 -2.910) 3.148 3.400 ( -4.305 -9.828 -0.816) 10.761 3.567 ( -5.768 2.278 3.403) 7.074 3.593 ( -3.588 5.691 6.174) 9.131 3.698 ( -3.009 -1.201 -0.743) 3.324 3.744 ( -3.840 -5.839 2.126) 7.304 3.926 ( 3.455 10.369 -3.210) 11.391 4.033 ( 3.000 2.010 0.083) 3.612 4.089 ( 1.554 2.364 2.091) 3.518 4.106 ( 3.772 1.961 2.503) 4.933 4.217 ( 0.445 -1.512 -1.368) 2.087 4.257 ( 3.270 0.781 -0.796) 3.455 4.280 ( 4.338 -0.258 -1.191) 4.506 4.327 ( 0.668 -7.155 0.345) 7.194 4.445 ( 3.658 -2.319 -2.556) 5.029 4.481 ( 1.914 -4.988 1.581) 5.571 4.565 ( 0.946 9.095 -3.589) 9.823 4.658 ( 3.433 -0.428 -3.837) 5.166 4.738 ( -2.408 1.158 1.624) 3.127 4.802 ( -0.813 -5.019 -0.870) 5.158 4.901 ( 0.897 2.476 1.887) 3.240 4.975 ( 4.993 2.349 1.223) 5.651 4.980 ( 1.985 -3.182 -0.855) 3.847 5.042 ( 4.086 -2.264 -0.332) 4.683 5.253 ( -1.378 1.354 -2.165) 2.901 5.291 ( -3.480 -1.654 -5.880) 7.030 5.447 ( 3.574 2.496 1.501) 4.611 5.474 ( 1.044 -0.020 3.067) 3.240 5.528 ( 1.212 2.557 1.630) 3.266 5.578 ( -1.782 0.771 -0.598) 2.032 5.630 ( 0.858 -2.211 0.187) 2.379 5.676 ( 0.329 -3.462 -1.934) 3.979 5.761 ( -3.006 3.389 -0.286) 4.540 5.809 ( 5.578 0.356 -3.731) 6.721 5.865 ( -2.996 -3.861 1.310) 5.060 5.874 ( 4.300 -3.933 -4.972) 7.661 5.969 ( 4.927 1.636 0.970) 5.281 6.042 ( 3.507 -4.244 -3.371) 6.456 6.179 ( -1.115 0.399 -1.784) 2.141 6.208 ( -1.862 -3.114 0.654) 3.687 6.414 ( 2.714 2.838 2.874) 4.866 6.457 ( 1.193 -0.455 2.537) 2.840 6.523 ( -0.511 1.132 1.588) 2.016 6.561 ( -0.274 -2.179 -0.447) 2.241 6.769 ( -2.423 3.060 3.264) 5.088 6.838 ( -4.513 -4.748 4.295) 7.833 6.961 ( 3.511 5.666 -3.426) 7.494 7.064 ( 0.619 -4.849 -5.413) 7.293 7.335 ( 2.131 2.897 0.198) 3.602 7.356 ( -0.312 0.635 -0.941) 1.177 7.479 ( 1.174 4.720 -3.138) 5.788 7.547 ( -1.017 -2.652 -1.020) 3.018 7.650 ( 2.844 1.829 0.394) 3.405 7.690 ( 1.343 -1.664 -1.469) 2.594 7.858 ( -0.100 0.626 2.700) 2.773 7.861 ( 1.333 0.410 4.643) 4.848 8.264 ( -3.751 5.513 5.544) 8.672 8.344 ( 0.749 -2.477 0.190) 2.594 8.488 ( 6.889 1.627 -0.607) 7.104 8.509 ( 6.799 -0.558 0.217) 6.825 8.698 ( 3.192 -0.548 0.659) 3.305 8.717 ( 6.315 -2.745 -1.055) 6.967 8.795 ( 1.599 7.161 0.329) 7.345 8.912 ( 1.171 -4.278 1.358) 4.638 8.947 ( -6.235 2.166 -1.816) 6.846 8.990 ( -0.586 -3.076 -5.004) 5.903 9.090 ( -2.490 4.575 1.342) 5.379 9.191 ( 0.693 -2.942 -2.307) 3.803 9.252 ( -0.207 1.430 -3.397) 3.692 9.352 ( 1.974 -4.637 -0.970) 5.132 9.439 ( -2.552 6.992 2.148) 7.747 9.546 ( -3.818 -0.466 0.816) 3.932 9.582 ( 0.344 -0.908 0.291) 1.013 9.613 ( 0.763 -9.299 -0.668) 9.354 9.904 ( -3.428 4.945 0.850) 6.077 9.981 ( -1.519 -2.699 1.211) 3.325 10.105 ( 1.059 2.316 -3.566) 4.382 10.177 ( -1.836 -4.868 -0.744) 5.256 10.323 ( -2.152 0.973 0.982) 2.558 10.361 ( -2.134 -2.592 1.249) 3.582 10.583 ( 0.069 3.713 0.896) 3.821 10.674 ( 0.712 -5.346 0.415) 5.409 10.771 ( -0.079 1.062 0.522) 1.186 10.832 ( -1.843 -4.164 0.990) 4.660 11.057 ( 0.486 2.288 -2.129) 3.163 11.110 ( 0.698 -4.009 -2.691) 4.878 11.404 ( -0.105 3.057 0.076) 3.060 11.448 ( -2.164 -1.133 0.407) 2.476 11.882 ( -2.164 1.298 4.347) 5.026 11.936 ( -0.041 -5.087 1.023) 5.189 12.107 ( -0.858 3.497 2.236) 4.238 12.172 ( 0.700 -2.835 -0.482) 2.960 12.303 ( 4.489 7.411 -0.317) 8.670 12.364 ( 3.816 0.620 3.039) 4.917 12.382 ( 1.811 2.766 3.389) 4.735 12.450 ( -0.517 -3.769 0.240) 3.812 12.594 ( 0.360 4.241 0.266) 4.264 12.659 ( 1.507 -0.491 -2.390) 2.868 12.737 ( 2.620 -3.555 0.958) 4.519 12.772 ( 1.956 -4.942 -0.071) 5.316 12.923 ( -1.271 8.539 0.038) 8.633 13.059 ( -0.618 -0.455 0.469) 0.900 13.076 ( -3.562 -2.375 2.147) 4.790 13.110 ( 0.844 -5.847 -2.229) 6.314 13.238 ( 0.357 5.319 1.974) 5.685 13.317 ( 6.758 1.221 -0.532) 6.888 13.338 ( -9.610 -1.621 2.094) 9.968 13.378 ( -1.369 -1.058 3.801) 4.176 13.505 ( -2.346 0.965 0.191) 2.544 13.546 ( 6.642 -3.580 2.137) 7.842 13.774 ( 3.268 3.762 -4.476) 6.698 13.865 ( 4.053 -6.276 -6.483) 9.892 14.006 ( 0.742 6.939 1.429) 7.124 14.147 ( -1.347 -8.927 1.455) 9.144 14.508 ( 0.099 8.609 -1.625) 8.762 14.572 ( -1.766 6.354 1.496) 6.762 14.617 ( 2.479 -0.127 -1.463) 2.881 14.704 ( 1.686 -5.963 2.708) 6.762 14.836 ( -0.986 6.315 -3.772) 7.422 14.914 ( 1.986 -2.523 -2.830) 4.280 15.256 ( 4.263 7.408 -6.224) 10.573 15.379 ( 1.100 -2.965 -3.237) 4.526 15.417 ( 1.092 3.231 -1.154) 3.601 15.494 ( 1.111 -5.349 -1.921) 5.791 15.650 ( 3.006 6.601 1.560) 7.419 15.769 ( 6.609 -6.036 1.426) 9.064 15.820 ( -5.082 12.056 3.080) 13.441 16.024 ( -6.295 -7.454 0.845) 9.793 16.050 ( -3.116 0.710 2.133) 3.842 16.104 ( -1.312 -7.196 2.565) 7.751 16.259 ( -1.422 4.000 -0.179) 4.249 16.352 ( -0.229 -4.941 -3.356) 5.978 16.634 ( 0.200 3.487 -0.132) 3.495 16.706 ( -2.712 -4.399 -1.793) 5.469 16.874 ( -0.541 2.193 -0.703) 2.365 16.913 ( 0.178 -2.054 0.653) 2.163 19.257 ( -1.804 3.604 2.328) 4.654 19.355 ( 0.523 -6.482 2.275) 6.889 19.442 ( -0.702 7.038 -3.375) 7.837 19.597 ( 1.710 -9.492 -4.091) 10.476 21.019 ( -0.712 6.303 0.532) 6.366 21.117 ( -0.544 -4.324 0.405) 4.377 21.167 ( -3.077 4.208 0.051) 5.213 21.235 ( -2.511 -2.977 1.546) 4.190 25.004 ( -0.873 0.338 2.717) 2.873 25.024 ( -0.561 -1.973 3.284) 3.872 25.353 ( -2.164 1.797 1.622) 3.246 25.387 ( -2.458 -1.924 2.045) 3.732 26.080 ( 0.152 1.061 -2.793) 2.992 26.088 ( 0.171 0.233 -1.884) 1.907 26.190 ( 0.793 1.126 2.597) 2.940 26.205 ( 2.335 -0.136 2.659) 3.541 26.547 ( -2.911 3.070 -3.083) 5.235 26.616 ( 0.047 -3.852 -2.209) 4.441 27.057 ( 1.073 4.276 1.352) 4.611 27.132 ( -0.527 -3.627 1.803) 4.085 27.198 ( -4.051 0.972 2.136) 4.682 27.232 ( -4.332 -2.657 2.131) 5.511 27.440 ( -2.460 4.187 1.132) 4.987 27.508 ( -1.651 -2.930 -0.101) 3.365 27.605 ( 0.423 4.599 -1.110) 4.750 27.693 ( 0.707 -4.549 -1.962) 5.005 28.001 ( -1.034 1.578 2.780) 3.359 28.041 ( -0.206 -2.143 3.562) 4.162 28.241 ( 1.286 6.177 -3.075) 7.019 28.276 ( 1.157 4.357 1.331) 4.700 28.326 ( 0.850 -0.932 2.021) 2.383 28.370 ( -0.353 -4.755 -0.451) 4.790 28.459 ( 1.259 0.403 -0.175) 1.333 28.504 ( -0.218 0.600 -0.605) 0.879 28.732 ( 4.803 -0.634 -1.534) 5.082 28.781 ( 5.146 -4.047 -2.584) 7.038 29.161 ( 8.355 5.063 4.681) 10.833 29.264 ( 10.738 -5.289 2.260) 12.181 29.507 ( -0.243 5.839 -6.775) 8.947 29.627 ( -1.211 -7.064 -9.588) 11.971 29.761 ( -0.281 6.967 2.599) 7.442 29.845 ( -3.240 -2.153 2.677) 4.722 30.104 ( -5.461 4.229 4.305) 8.139 30.183 ( -8.228 -5.165 4.754) 10.816 30.637 ( 7.053 1.144 -1.072) 7.225 30.700 ( 5.981 -5.405 0.107) 8.062 31.054 ( -6.058 7.648 -3.353) 10.317 31.187 ( -7.586 -6.844 -5.648) 11.674 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -10.747 0.000 25.522) 27.692 1.387 ( -5.675 0.000 25.048) 25.683 1.600 ( 7.722 0.000 -14.838) 16.727 1.952 ( 7.404 0.000 -20.082) 21.403 2.196 ( 2.753 0.000 17.014) 17.235 2.209 ( 5.733 0.000 1.722) 5.986 2.220 ( 11.005 0.000 24.599) 26.948 2.382 ( -2.992 0.000 2.779) 4.083 2.414 ( 3.367 0.000 -5.028) 6.051 2.487 ( 3.115 0.000 3.553) 4.725 2.594 ( -3.055 0.000 -1.000) 3.214 2.703 ( 0.355 0.000 0.667) 0.756 2.798 ( -0.614 0.000 5.193) 5.229 2.853 ( 3.225 0.000 6.461) 7.221 2.871 ( -3.525 0.000 -4.008) 5.338 2.980 ( -3.319 0.000 0.278) 3.330 2.985 ( -1.392 0.000 -1.677) 2.180 3.088 ( -3.343 0.000 -12.313) 12.758 3.120 ( 5.409 0.000 0.505) 5.433 3.128 ( -4.003 0.000 -2.767) 4.867 3.304 ( -5.703 0.000 2.964) 6.427 3.342 ( 2.236 0.000 0.700) 2.343 3.527 ( 5.116 0.000 -3.778) 6.360 3.596 ( 0.987 0.000 -7.994) 8.054 3.647 ( 6.054 0.000 3.588) 7.038 3.759 ( -4.527 0.000 -8.744) 9.847 3.867 ( 6.127 0.000 5.156) 8.007 3.944 ( -2.232 0.000 -6.087) 6.483 4.019 ( -0.413 0.000 3.853) 3.875 4.067 ( 0.081 0.000 6.774) 6.775 4.176 ( -4.816 0.000 -8.021) 9.355 4.207 ( -6.955 0.000 -2.307) 7.328 4.330 ( 0.721 0.000 7.103) 7.139 4.365 ( -0.663 0.000 2.359) 2.451 4.511 ( -0.102 0.000 -4.125) 4.126 4.527 ( 0.914 0.000 -1.552) 1.801 4.597 ( -8.000 0.000 2.715) 8.448 4.647 ( 9.673 0.000 2.289) 9.940 4.789 ( 4.362 0.000 2.593) 5.074 4.842 ( -1.961 0.000 -0.326) 1.988 4.869 ( -0.183 0.000 6.620) 6.622 4.958 ( 3.146 0.000 -6.212) 6.963 5.019 ( 0.799 0.000 -0.632) 1.018 5.068 ( 3.496 0.000 -2.200) 4.130 5.088 ( -4.047 0.000 -4.282) 5.892 5.133 ( -7.133 0.000 -9.154) 11.605 5.266 ( -1.628 0.000 3.813) 4.146 5.355 ( 2.616 0.000 -4.279) 5.015 5.393 ( -3.993 0.000 -1.086) 4.138 5.453 ( 1.092 0.000 -6.462) 6.553 5.675 ( -4.502 0.000 0.404) 4.520 5.675 ( 2.544 0.000 1.012) 2.738 5.824 ( 1.456 0.000 4.122) 4.372 5.891 ( -0.416 0.000 0.105) 0.429 5.946 ( -2.509 0.000 0.313) 2.529 5.964 ( 1.452 0.000 -2.768) 3.126 6.013 ( 5.088 0.000 -4.017) 6.483 6.032 ( -3.987 0.000 -3.496) 5.302 6.220 ( 0.276 0.000 1.243) 1.273 6.238 ( 0.973 0.000 -0.966) 1.372 6.372 ( -1.502 0.000 2.667) 3.061 6.401 ( 0.312 0.000 0.588) 0.666 6.547 ( 1.009 0.000 1.991) 2.232 6.575 ( 0.598 0.000 -0.818) 1.014 6.916 ( -1.789 0.000 6.936) 7.163 6.995 ( 3.593 0.000 -0.645) 3.650 7.087 ( 2.228 0.000 8.825) 9.102 7.124 ( -2.168 0.000 0.839) 2.324 7.170 ( -2.453 0.000 -2.561) 3.546 7.223 ( -0.956 0.000 -4.286) 4.391 7.415 ( 4.641 0.000 1.433) 4.858 7.451 ( -1.490 0.000 -1.879) 2.398 7.763 ( 3.459 0.000 2.728) 4.405 7.763 ( -2.287 0.000 2.360) 3.287 7.884 ( 1.650 0.000 2.889) 3.327 7.914 ( -4.238 0.000 -1.604) 4.531 8.300 ( 1.356 0.000 -5.030) 5.210 8.324 ( 8.710 0.000 -6.321) 10.762 8.471 ( 5.896 0.000 0.289) 5.903 8.485 ( -6.354 0.000 -0.963) 6.427 8.639 ( -2.953 0.000 6.405) 7.053 8.750 ( 0.030 0.000 -4.317) 4.317 8.833 ( -7.206 0.000 1.649) 7.392 8.846 ( -0.916 0.000 0.986) 1.346 8.990 ( 2.363 0.000 -0.216) 2.372 9.004 ( 2.216 0.000 -1.331) 2.585 9.091 ( -1.293 0.000 -1.069) 1.677 9.116 ( 5.028 0.000 -3.281) 6.004 9.312 ( 0.354 0.000 1.711) 1.747 9.331 ( -3.021 0.000 -0.859) 3.140 9.419 ( -1.179 0.000 3.852) 4.029 9.499 ( 2.734 0.000 -3.848) 4.720 9.600 ( -2.800 0.000 8.152) 8.619 9.750 ( -3.025 0.000 -3.552) 4.665 9.860 ( 1.453 0.000 1.021) 1.775 9.958 ( 4.310 0.000 -6.253) 7.594 10.056 ( -0.110 0.000 3.753) 3.755 10.159 ( -0.153 0.000 -5.853) 5.855 10.412 ( -2.101 0.000 2.624) 3.361 10.429 ( -1.643 0.000 2.035) 2.615 10.796 ( -2.979 0.000 3.626) 4.693 10.829 ( 6.312 0.000 4.122) 7.539 10.932 ( -0.944 0.000 -1.852) 2.079 10.965 ( -0.762 0.000 -8.419) 8.454 11.000 ( 2.906 0.000 7.285) 7.843 11.168 ( -2.491 0.000 -9.305) 9.632 11.183 ( 4.494 0.000 7.522) 8.763 11.323 ( -2.983 0.000 -6.179) 6.861 12.006 ( 2.381 0.000 2.384) 3.370 12.039 ( -4.194 0.000 -1.279) 4.385 12.208 ( -3.506 0.000 3.057) 4.652 12.260 ( 3.696 0.000 -1.733) 4.082 12.328 ( 1.778 0.000 1.669) 2.438 12.351 ( -0.177 0.000 -0.719) 0.740 12.366 ( 0.926 0.000 1.227) 1.537 12.386 ( -2.687 0.000 -0.840) 2.816 12.480 ( -0.177 0.000 6.896) 6.898 12.638 ( 2.948 0.000 -7.415) 7.979 12.796 ( -0.315 0.000 3.658) 3.672 12.833 ( -3.205 0.000 1.421) 3.506 12.924 ( -4.725 0.000 -0.347) 4.738 12.972 ( 8.712 0.000 -3.593) 9.424 13.055 ( 4.119 0.000 -0.637) 4.168 13.095 ( -6.296 0.000 -4.201) 7.569 13.257 ( -6.159 0.000 3.057) 6.876 13.267 ( 1.568 0.000 1.928) 2.485 13.470 ( -1.175 0.000 10.412) 10.479 13.565 ( 0.603 0.000 -1.763) 1.864 13.586 ( -2.525 0.000 4.903) 5.515 13.655 ( 6.666 0.000 2.083) 6.984 13.684 ( -1.956 0.000 -2.676) 3.314 13.822 ( 6.904 0.000 -13.022) 14.739 14.167 ( 4.868 0.000 10.794) 11.841 14.197 ( 0.111 0.000 1.437) 1.441 14.235 ( -5.900 0.000 -0.687) 5.940 14.373 ( 3.981 0.000 -4.706) 6.165 14.425 ( -3.549 0.000 -3.027) 4.665 14.471 ( -1.216 0.000 -4.356) 4.522 14.891 ( -6.752 0.000 1.925) 7.021 14.896 ( 4.125 0.000 1.297) 4.324 15.118 ( 3.829 0.000 3.969) 5.515 15.221 ( -5.342 0.000 -5.334) 7.549 15.343 ( -1.596 0.000 -0.001) 1.596 15.357 ( 0.723 0.000 -2.202) 2.318 15.555 ( -0.572 0.000 2.958) 3.013 15.594 ( 0.452 0.000 -0.663) 0.802 16.032 ( 1.682 0.000 0.557) 1.772 16.038 ( -14.697 0.000 2.891) 14.978 16.095 ( -4.250 0.000 0.158) 4.253 16.196 ( 2.893 0.000 -6.365) 6.991 16.338 ( 5.345 0.000 7.621) 9.309 16.463 ( -3.923 0.000 -5.167) 6.488 16.487 ( 2.018 0.000 2.905) 3.537 16.588 ( 3.375 0.000 -6.329) 7.173 16.778 ( -1.658 0.000 1.040) 1.957 16.785 ( 0.819 0.000 0.486) 0.952 19.130 ( -2.733 0.000 1.801) 3.273 19.180 ( 2.110 0.000 -3.289) 3.908 19.631 ( 0.454 0.000 4.178) 4.203 19.710 ( -0.664 0.000 -3.619) 3.679 20.909 ( -0.189 0.000 3.044) 3.050 20.966 ( -0.245 0.000 -2.664) 2.675 21.313 ( -1.493 0.000 3.594) 3.892 21.386 ( 2.624 0.000 -3.599) 4.454 25.049 ( -0.655 0.000 3.393) 3.456 25.135 ( -0.656 0.000 -5.234) 5.275 25.463 ( 4.247 0.000 4.780) 6.394 25.508 ( -6.369 0.000 0.150) 6.370 25.907 ( -0.677 0.000 -0.129) 0.689 25.944 ( -0.297 0.000 -3.593) 3.605 26.201 ( 0.401 0.000 2.313) 2.348 26.226 ( -0.371 0.000 -0.075) 0.379 26.700 ( 11.792 0.000 3.795) 12.387 26.736 ( -2.214 0.000 0.978) 2.421 27.042 ( 0.362 0.000 0.291) 0.465 27.069 ( -2.062 0.000 -2.522) 3.257 27.127 ( -4.352 0.000 6.316) 7.670 27.246 ( 0.032 0.000 -4.509) 4.510 27.474 ( 0.854 0.000 0.382) 0.936 27.494 ( -4.325 0.000 -0.183) 4.328 27.494 ( 2.334 0.000 -0.908) 2.505 27.522 ( -0.786 0.000 -3.634) 3.718 27.935 ( 4.822 0.000 4.489) 6.588 28.038 ( -4.080 0.000 -5.968) 7.230 28.138 ( -3.557 0.000 0.060) 3.557 28.149 ( 2.364 0.000 -1.132) 2.621 28.377 ( -3.046 0.000 2.879) 4.191 28.427 ( 6.545 0.000 -2.379) 6.964 28.572 ( 3.882 0.000 1.600) 4.199 28.606 ( -2.252 0.000 -1.487) 2.698 28.997 ( 2.598 0.000 5.747) 6.307 29.071 ( -4.994 0.000 -1.104) 5.114 29.210 ( -12.509 0.000 3.629) 13.025 29.282 ( 5.266 0.000 -3.675) 6.422 29.421 ( 5.359 0.000 -0.218) 5.364 29.449 ( 0.034 0.000 -2.773) 2.773 29.844 ( -10.738 0.000 3.021) 11.155 29.891 ( 15.255 0.000 -1.673) 15.347 30.149 ( -4.435 0.000 7.629) 8.825 30.272 ( 3.439 0.000 -4.707) 5.829 30.668 ( 8.070 0.000 -0.268) 8.075 30.691 ( -9.119 0.000 -2.371) 9.423 31.010 ( -5.555 0.000 2.345) 6.030 31.066 ( 9.795 0.000 -2.971) 10.236 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -3.689 0.000 17.898) 18.275 1.471 ( -4.526 0.000 17.411) 17.990 1.612 ( 9.460 0.000 -11.450) 14.852 1.710 ( -7.337 0.000 -29.954) 30.840 2.081 ( -9.956 0.000 -8.234) 12.920 2.208 ( -4.726 0.000 -10.813) 11.801 2.329 ( -2.069 0.000 -1.649) 2.646 2.411 ( -2.137 0.000 -1.936) 2.884 2.440 ( -3.697 0.000 0.120) 3.699 2.596 ( 4.968 0.000 -0.854) 5.041 2.696 ( 4.209 0.000 -8.861) 9.810 2.739 ( 4.578 0.000 3.602) 5.825 2.791 ( 0.873 0.000 -4.940) 5.017 2.852 ( 2.214 0.000 10.181) 10.419 2.906 ( 2.257 0.000 -6.506) 6.886 2.944 ( 1.908 0.000 5.706) 6.017 3.011 ( -4.141 0.000 -3.011) 5.119 3.042 ( 5.989 0.000 13.845) 15.085 3.084 ( 5.501 0.000 -2.131) 5.899 3.187 ( 1.943 0.000 0.847) 2.119 3.283 ( -1.530 0.000 6.408) 6.588 3.391 ( 1.020 0.000 1.526) 1.835 3.502 ( 1.850 0.000 -11.204) 11.356 3.620 ( 6.599 0.000 0.786) 6.645 3.642 ( -1.144 0.000 -7.340) 7.429 3.779 ( 5.422 0.000 3.293) 6.344 3.853 ( -2.262 0.000 -6.266) 6.662 3.954 ( 3.357 0.000 2.941) 4.463 3.994 ( -6.118 0.000 -0.767) 6.166 4.066 ( -4.720 0.000 -3.551) 5.907 4.181 ( -1.135 0.000 12.288) 12.340 4.186 ( 5.087 0.000 6.223) 8.038 4.349 ( -1.266 0.000 1.045) 1.642 4.403 ( 1.111 0.000 2.288) 2.543 4.486 ( 0.804 0.000 -2.193) 2.335 4.492 ( -0.361 0.000 -0.185) 0.406 4.559 ( -1.042 0.000 -1.176) 1.571 4.746 ( -3.990 0.000 -2.956) 4.966 4.794 ( 4.424 0.000 -4.194) 6.096 4.831 ( -3.382 0.000 -1.806) 3.833 4.874 ( -1.686 0.000 2.097) 2.691 4.936 ( -0.122 0.000 0.119) 0.170 5.010 ( 2.568 0.000 -4.594) 5.263 5.036 ( 4.035 0.000 1.451) 4.288 5.072 ( 0.372 0.000 4.606) 4.621 5.154 ( -1.003 0.000 5.293) 5.388 5.263 ( -1.426 0.000 4.021) 4.266 5.316 ( -1.064 0.000 -4.861) 4.976 5.355 ( -2.437 0.000 4.874) 5.449 5.457 ( 3.842 0.000 -1.649) 4.181 5.622 ( -3.572 0.000 1.312) 3.806 5.715 ( 0.109 0.000 2.293) 2.296 5.837 ( -2.212 0.000 -3.430) 4.081 5.873 ( -5.152 0.000 3.144) 6.036 5.907 ( -2.505 0.000 0.343) 2.529 5.909 ( 1.288 0.000 -2.039) 2.412 6.015 ( 2.707 0.000 -1.244) 2.980 6.083 ( 2.480 0.000 1.561) 2.931 6.231 ( -0.019 0.000 -0.967) 0.967 6.243 ( 2.014 0.000 0.339) 2.042 6.382 ( -0.443 0.000 2.329) 2.371 6.409 ( 0.762 0.000 -0.512) 0.918 6.555 ( -1.282 0.000 -2.532) 2.838 6.575 ( 1.732 0.000 -0.045) 1.733 6.886 ( -6.197 0.000 2.932) 6.856 6.923 ( -8.172 0.000 -4.719) 9.437 7.109 ( -2.783 0.000 0.089) 2.784 7.113 ( 0.005 0.000 -0.074) 0.075 7.186 ( 1.993 0.000 -1.599) 2.555 7.213 ( 2.787 0.000 5.076) 5.791 7.400 ( -1.628 0.000 -3.438) 3.804 7.481 ( 2.964 0.000 -2.609) 3.949 7.746 ( 0.194 0.000 -1.363) 1.377 7.822 ( -2.233 0.000 -1.651) 2.777 7.858 ( 1.728 0.000 4.581) 4.896 7.937 ( 0.932 0.000 1.889) 2.106 8.287 ( 3.150 0.000 -4.666) 5.630 8.332 ( -0.286 0.000 -5.852) 5.859 8.363 ( -4.909 0.000 -2.447) 5.485 8.555 ( 1.377 0.000 0.082) 1.380 8.611 ( -13.774 0.000 0.156) 13.774 8.662 ( -2.231 0.000 7.690) 8.007 8.789 ( 2.792 0.000 -0.893) 2.931 8.845 ( -3.789 0.000 5.276) 6.495 8.927 ( -6.528 0.000 -1.052) 6.612 8.996 ( -0.994 0.000 -3.167) 3.320 9.073 ( 2.629 0.000 -4.580) 5.281 9.123 ( -0.276 0.000 1.711) 1.733 9.300 ( -0.663 0.000 0.078) 0.668 9.314 ( -2.459 0.000 4.815) 5.406 9.511 ( 5.777 0.000 1.667) 6.013 9.522 ( 5.615 0.000 -7.046) 9.010 9.670 ( -1.429 0.000 9.256) 9.365 9.714 ( 2.464 0.000 -2.392) 3.435 9.885 ( 0.580 0.000 0.464) 0.743 9.961 ( 4.531 0.000 -7.626) 8.871 10.093 ( -1.403 0.000 5.427) 5.605 10.108 ( 0.954 0.000 -4.550) 4.649 10.383 ( -6.826 0.000 2.555) 7.288 10.414 ( -0.678 0.000 2.723) 2.806 10.735 ( -1.675 0.000 -2.781) 3.246 10.858 ( -3.401 0.000 -1.142) 3.587 10.909 ( -0.675 0.000 -1.808) 1.930 10.965 ( 2.599 0.000 3.636) 4.469 11.025 ( -2.642 0.000 -7.980) 8.406 11.113 ( 1.225 0.000 7.934) 8.028 11.191 ( -4.254 0.000 -6.923) 8.126 11.330 ( 4.183 0.000 6.078) 7.378 11.982 ( -1.663 0.000 0.271) 1.685 12.077 ( 2.354 0.000 1.620) 2.858 12.150 ( -4.837 0.000 1.411) 5.039 12.233 ( -3.449 0.000 -1.469) 3.749 12.338 ( 0.847 0.000 -0.256) 0.885 12.352 ( 1.145 0.000 1.656) 2.013 12.398 ( 3.150 0.000 -3.299) 4.562 12.439 ( 4.032 0.000 -0.315) 4.044 12.554 ( 0.176 0.000 5.997) 6.000 12.614 ( 4.834 0.000 -8.330) 9.631 12.791 ( -1.492 0.000 0.441) 1.556 12.853 ( 1.033 0.000 2.910) 3.087 12.902 ( 2.456 0.000 -1.847) 3.073 12.968 ( -4.960 0.000 1.339) 5.138 13.105 ( 4.628 0.000 0.581) 4.664 13.168 ( 6.244 0.000 3.729) 7.273 13.184 ( -0.299 0.000 -0.608) 0.677 13.260 ( -5.228 0.000 1.957) 5.582 13.495 ( -8.641 0.000 12.745) 15.398 13.504 ( -6.427 0.000 -4.405) 7.791 13.583 ( 2.104 0.000 -2.677) 3.406 13.592 ( -0.178 0.000 -5.345) 5.348 13.736 ( 1.378 0.000 -0.358) 1.424 13.767 ( 2.428 0.000 -8.263) 8.612 14.112 ( -8.741 0.000 -8.366) 12.099 14.237 ( 0.720 0.000 3.244) 3.323 14.293 ( 2.306 0.000 -0.815) 2.446 14.414 ( 8.836 0.000 3.703) 9.581 14.431 ( 0.390 0.000 1.087) 1.155 14.461 ( 3.698 0.000 -0.264) 3.707 14.777 ( -7.728 0.000 1.250) 7.828 14.927 ( -1.836 0.000 1.969) 2.692 15.088 ( -3.108 0.000 -3.180) 4.447 15.231 ( 1.143 0.000 5.005) 5.134 15.346 ( 2.381 0.000 2.589) 3.517 15.379 ( 1.855 0.000 0.227) 1.869 15.558 ( -1.279 0.000 1.892) 2.284 15.561 ( -2.498 0.000 -1.670) 3.005 15.926 ( -8.064 0.000 11.127) 13.742 16.014 ( -3.516 0.000 0.307) 3.529 16.047 ( -5.019 0.000 2.796) 5.745 16.212 ( 4.687 0.000 1.132) 4.822 16.352 ( -4.410 0.000 -5.009) 6.674 16.500 ( 2.512 0.000 2.354) 3.443 16.591 ( 8.510 0.000 4.351) 9.558 16.622 ( 8.587 0.000 -9.138) 12.539 16.814 ( 4.272 0.000 1.175) 4.431 16.854 ( 5.985 0.000 0.306) 5.993 19.141 ( 0.840 0.000 1.668) 1.868 19.226 ( 5.706 0.000 0.066) 5.707 19.650 ( -1.647 0.000 -4.125) 4.441 19.664 ( -1.749 0.000 4.311) 4.653 20.951 ( 1.260 0.000 -2.828) 3.096 20.958 ( 2.124 0.000 3.388) 3.999 21.284 ( -4.982 0.000 2.077) 5.398 21.341 ( -2.727 0.000 -3.530) 4.461 25.076 ( -1.196 0.000 4.215) 4.382 25.085 ( -0.178 0.000 -2.541) 2.547 25.445 ( -1.113 0.000 -1.434) 1.815 25.609 ( 6.558 0.000 3.817) 7.588 25.913 ( -0.309 0.000 2.564) 2.582 25.923 ( 0.705 0.000 -1.019) 1.239 26.207 ( -0.930 0.000 -1.268) 1.573 26.221 ( -0.013 0.000 1.385) 1.385 26.625 ( -3.850 0.000 -7.681) 8.592 26.821 ( 3.200 0.000 -5.976) 6.779 27.066 ( 2.239 0.000 -1.556) 2.727 27.100 ( 4.103 0.000 2.614) 4.865 27.221 ( 4.994 0.000 9.018) 10.308 27.280 ( 8.688 0.000 -0.665) 8.714 27.434 ( -3.062 0.000 2.372) 3.874 27.471 ( -0.672 0.000 -1.549) 1.688 27.510 ( 1.046 0.000 2.541) 2.748 27.544 ( 1.956 0.000 -0.078) 1.958 27.883 ( -6.401 0.000 -6.154) 8.880 28.035 ( 1.477 0.000 4.986) 5.200 28.082 ( -3.644 0.000 1.374) 3.894 28.187 ( 1.902 0.000 -0.099) 1.905 28.314 ( -4.745 0.000 -1.768) 5.063 28.448 ( 0.366 0.000 -2.518) 2.545 28.545 ( -1.453 0.000 -4.138) 4.385 28.634 ( 1.645 0.000 0.679) 1.780 28.912 ( -9.972 0.000 -3.013) 10.417 28.977 ( -9.723 0.000 8.343) 12.812 29.140 ( -5.326 0.000 5.321) 7.528 29.233 ( -14.744 0.000 1.599) 14.830 29.365 ( -2.970 0.000 -4.595) 5.471 29.463 ( 5.907 0.000 -2.669) 6.483 29.774 ( 3.005 0.000 -1.174) 3.226 29.976 ( -1.405 0.000 -2.516) 2.882 30.223 ( 3.234 0.000 8.101) 8.723 30.284 ( 2.042 0.000 -7.707) 7.973 30.531 ( -6.968 0.000 1.038) 7.045 30.851 ( 12.213 0.000 -0.670) 12.231 30.970 ( -0.698 0.000 3.550) 3.618 31.216 ( 12.287 0.000 -8.489) 14.934 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.362 0.000 -17.983) 17.986 1.467 ( 1.515 0.000 4.582) 4.826 1.610 ( 5.693 0.000 6.756) 8.835 1.708 ( 11.156 0.000 -4.362) 11.978 1.897 ( -3.800 0.000 -0.900) 3.905 1.970 ( -3.824 0.000 -12.559) 13.128 2.193 ( -7.317 0.000 -0.537) 7.336 2.306 ( -10.011 0.000 5.868) 11.604 2.485 ( 2.597 0.000 3.754) 4.564 2.575 ( -6.053 0.000 -4.134) 7.330 2.620 ( 0.019 0.000 -3.972) 3.972 2.747 ( 0.271 0.000 -2.428) 2.443 2.806 ( -2.070 0.000 -1.011) 2.304 2.925 ( -0.220 0.000 2.591) 2.600 2.940 ( 4.981 0.000 -1.873) 5.322 3.023 ( 0.864 0.000 3.499) 3.604 3.040 ( 21.678 0.000 -13.890) 25.746 3.157 ( -1.122 0.000 1.627) 1.976 3.160 ( 6.752 0.000 -2.449) 7.183 3.354 ( 3.966 0.000 5.198) 6.538 3.380 ( 0.542 0.000 9.233) 9.249 3.399 ( 2.610 0.000 3.732) 4.554 3.428 ( 1.230 0.000 -11.401) 11.467 3.618 ( 7.619 0.000 -6.241) 9.849 3.752 ( 5.039 0.000 1.005) 5.138 3.755 ( 0.221 0.000 -4.267) 4.273 3.848 ( -1.236 0.000 2.279) 2.592 3.929 ( -7.516 0.000 7.279) 10.463 3.984 ( 1.856 0.000 -5.170) 5.493 4.075 ( 2.745 0.000 6.035) 6.630 4.190 ( -4.410 0.000 1.816) 4.769 4.216 ( -4.882 0.000 3.486) 5.999 4.403 ( 0.596 0.000 -1.079) 1.233 4.434 ( -0.354 0.000 -0.096) 0.366 4.455 ( -2.126 0.000 -0.544) 2.195 4.471 ( -0.213 0.000 -6.356) 6.359 4.546 ( 1.991 0.000 -0.552) 2.066 4.653 ( -4.247 0.000 -6.646) 7.887 4.685 ( -0.119 0.000 0.275) 0.300 4.819 ( 1.703 0.000 -4.121) 4.459 4.917 ( 0.335 0.000 8.313) 8.319 4.973 ( -1.970 0.000 3.949) 4.414 5.039 ( -7.107 0.000 1.701) 7.307 5.060 ( -1.571 0.000 -2.935) 3.328 5.107 ( 10.726 0.000 -3.994) 11.446 5.147 ( -2.611 0.000 4.265) 5.001 5.273 ( -4.312 0.000 1.734) 4.648 5.330 ( 3.898 0.000 4.062) 5.630 5.368 ( -3.095 0.000 5.404) 6.227 5.500 ( 1.174 0.000 -0.763) 1.400 5.562 ( -4.428 0.000 1.710) 4.746 5.702 ( -3.368 0.000 1.502) 3.688 5.751 ( -4.465 0.000 -1.374) 4.672 5.801 ( -2.889 0.000 0.247) 2.900 5.903 ( 0.567 0.000 2.452) 2.517 5.941 ( 1.183 0.000 1.471) 1.887 6.017 ( -1.159 0.000 -2.182) 2.470 6.080 ( -2.545 0.000 -0.697) 2.639 6.237 ( 0.906 0.000 0.252) 0.941 6.322 ( 4.107 0.000 3.136) 5.168 6.398 ( 0.042 0.000 1.687) 1.687 6.432 ( 1.720 0.000 0.302) 1.746 6.496 ( -1.933 0.000 -1.833) 2.664 6.619 ( 2.918 0.000 0.103) 2.920 6.723 ( -7.343 0.000 -4.792) 8.769 6.792 ( -5.462 0.000 -0.160) 5.465 7.072 ( -2.245 0.000 1.146) 2.521 7.104 ( 0.697 0.000 -0.960) 1.186 7.245 ( 3.013 0.000 -1.102) 3.208 7.285 ( 0.905 0.000 3.204) 3.329 7.342 ( -0.188 0.000 -0.866) 0.886 7.450 ( -0.021 0.000 -6.845) 6.845 7.727 ( 0.520 0.000 -5.203) 5.229 7.798 ( -0.155 0.000 0.346) 0.379 7.908 ( -0.123 0.000 0.998) 1.006 7.958 ( 1.650 0.000 -0.937) 1.897 8.246 ( -7.340 0.000 1.673) 7.528 8.279 ( -2.411 0.000 0.255) 2.425 8.308 ( 2.990 0.000 -4.349) 5.278 8.341 ( -14.664 0.000 0.035) 14.664 8.516 ( -2.369 0.000 -3.006) 3.827 8.717 ( -3.327 0.000 0.082) 3.328 8.732 ( -5.805 0.000 6.148) 8.456 8.868 ( -2.176 0.000 2.076) 3.008 8.871 ( 3.924 0.000 1.878) 4.351 8.942 ( -1.974 0.000 -0.349) 2.005 9.115 ( 6.636 0.000 -3.565) 7.533 9.164 ( -0.753 0.000 6.162) 6.207 9.295 ( 1.042 0.000 -1.339) 1.697 9.343 ( -1.015 0.000 6.516) 6.594 9.555 ( -2.011 0.000 -0.935) 2.218 9.557 ( 6.435 0.000 -6.895) 9.431 9.719 ( -0.760 0.000 5.343) 5.397 9.755 ( 4.087 0.000 -1.963) 4.534 9.904 ( 1.032 0.000 1.800) 2.074 9.952 ( 1.270 0.000 -4.405) 4.584 10.081 ( -6.876 0.000 5.121) 8.574 10.138 ( 7.540 0.000 -3.889) 8.484 10.310 ( -2.214 0.000 2.500) 3.339 10.439 ( 0.315 0.000 2.704) 2.723 10.716 ( 2.348 0.000 -3.969) 4.612 10.792 ( -3.953 0.000 -0.307) 3.965 10.822 ( -3.860 0.000 -3.070) 4.932 10.969 ( 1.090 0.000 -1.551) 1.896 11.065 ( 2.999 0.000 5.705) 6.445 11.089 ( -1.149 0.000 -2.084) 2.380 11.198 ( -0.263 0.000 7.061) 7.066 11.429 ( 0.714 0.000 3.944) 4.008 11.973 ( -0.224 0.000 0.221) 0.315 12.069 ( -2.464 0.000 -1.839) 3.075 12.092 ( -2.023 0.000 -0.016) 2.023 12.200 ( 0.852 0.000 -1.367) 1.611 12.332 ( -0.501 0.000 -3.718) 3.752 12.381 ( 0.433 0.000 -5.213) 5.231 12.397 ( 1.469 0.000 1.183) 1.885 12.462 ( 2.485 0.000 -5.215) 5.777 12.577 ( -1.137 0.000 -1.362) 1.775 12.633 ( 3.985 0.000 -6.295) 7.450 12.805 ( 2.060 0.000 1.722) 2.685 12.827 ( -1.877 0.000 -1.274) 2.268 12.943 ( 3.975 0.000 -1.256) 4.169 12.982 ( -3.366 0.000 7.642) 8.351 13.070 ( -4.724 0.000 4.835) 6.760 13.165 ( -5.431 0.000 0.632) 5.467 13.230 ( -5.948 0.000 -2.332) 6.389 13.278 ( 3.430 0.000 -0.114) 3.432 13.411 ( 4.929 0.000 4.317) 6.552 13.496 ( 1.409 0.000 1.676) 2.190 13.594 ( 0.063 0.000 3.356) 3.357 13.602 ( 4.562 0.000 -3.912) 6.010 13.720 ( -0.399 0.000 -2.909) 2.937 13.772 ( 4.065 0.000 -2.211) 4.627 13.912 ( -4.499 0.000 -5.437) 7.057 14.159 ( -7.942 0.000 2.319) 8.274 14.284 ( -3.833 0.000 -5.962) 7.088 14.462 ( -0.967 0.000 -1.516) 1.798 14.543 ( 9.422 0.000 4.592) 10.482 14.549 ( -2.071 0.000 0.252) 2.086 14.752 ( 6.906 0.000 1.097) 6.992 14.867 ( -7.157 0.000 0.255) 7.162 15.068 ( 0.794 0.000 2.199) 2.338 15.253 ( -0.398 0.000 1.811) 1.854 15.419 ( 2.217 0.000 0.396) 2.252 15.444 ( 1.146 0.000 5.248) 5.372 15.498 ( -2.635 0.000 -1.242) 2.913 15.565 ( 0.159 0.000 1.699) 1.707 15.880 ( -8.200 0.000 6.726) 10.605 15.954 ( -7.087 0.000 1.286) 7.203 16.036 ( 1.651 0.000 5.270) 5.523 16.222 ( -4.211 0.000 -3.587) 5.532 16.300 ( 3.845 0.000 -0.578) 3.888 16.493 ( -2.940 0.000 -1.006) 3.108 16.680 ( 9.265 0.000 -10.122) 13.722 16.778 ( 5.720 0.000 6.171) 8.414 16.918 ( 3.294 0.000 3.497) 4.804 16.975 ( 6.927 0.000 0.781) 6.970 19.178 ( 1.442 0.000 1.661) 2.200 19.352 ( 3.898 0.000 4.058) 5.627 19.590 ( 0.094 0.000 -2.948) 2.950 19.655 ( -3.959 0.000 4.002) 5.629 20.940 ( 1.186 0.000 -3.380) 3.582 21.038 ( 2.348 0.000 3.812) 4.477 21.216 ( -3.386 0.000 0.851) 3.491 21.250 ( -3.635 0.000 -2.517) 4.422 25.072 ( 0.627 0.000 -1.400) 1.534 25.081 ( -2.218 0.000 2.579) 3.402 25.421 ( 0.871 0.000 -3.235) 3.351 25.695 ( 1.122 0.000 -2.415) 2.663 25.932 ( -0.846 0.000 3.069) 3.184 25.949 ( 1.571 0.000 2.116) 2.636 26.174 ( -0.794 0.000 -2.145) 2.287 26.227 ( -1.209 0.000 0.934) 1.528 26.548 ( 3.143 0.000 -4.148) 5.204 26.780 ( 1.420 0.000 -7.393) 7.528 27.057 ( 1.579 0.000 -5.138) 5.375 27.189 ( 3.637 0.000 1.446) 3.914 27.392 ( 4.596 0.000 -1.223) 4.756 27.440 ( -0.259 0.000 3.681) 3.690 27.478 ( 7.918 0.000 2.423) 8.280 27.527 ( 1.859 0.000 8.658) 8.856 27.541 ( 2.166 0.000 -0.231) 2.178 27.555 ( 1.499 0.000 4.594) 4.832 27.729 ( -3.853 0.000 -4.466) 5.899 28.042 ( -3.337 0.000 3.297) 4.691 28.059 ( -2.300 0.000 -0.334) 2.324 28.169 ( -1.679 0.000 -1.643) 2.349 28.259 ( 1.410 0.000 -1.101) 1.789 28.420 ( -1.499 0.000 -1.470) 2.099 28.484 ( 0.814 0.000 -5.275) 5.337 28.629 ( -2.084 0.000 -1.316) 2.465 28.717 ( -7.668 0.000 -2.977) 8.226 28.892 ( -9.626 0.000 6.879) 11.831 28.959 ( -16.395 0.000 4.881) 17.106 29.070 ( -7.859 0.000 6.862) 10.434 29.288 ( -1.258 0.000 -4.885) 5.045 29.564 ( 6.427 0.000 -2.104) 6.762 29.803 ( 3.185 0.000 -6.186) 6.958 29.915 ( -2.236 0.000 -1.800) 2.871 30.192 ( -1.376 0.000 -7.890) 8.009 30.323 ( -2.938 0.000 9.994) 10.417 30.518 ( -0.251 0.000 9.300) 9.304 31.027 ( 12.143 0.000 -7.094) 14.063 31.051 ( 1.881 0.000 6.975) 7.224 31.302 ( 9.454 0.000 -11.331) 14.758 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 26.201 0.000 11.895) 28.775 1.604 ( 5.189 0.000 7.873) 9.429 1.740 ( 5.291 0.000 -0.414) 5.307 1.910 ( 15.737 0.000 -3.226) 16.064 1.957 ( 6.657 0.000 5.768) 8.809 1.967 ( 6.518 0.000 7.549) 9.974 2.129 ( -0.839 0.000 1.619) 1.823 2.196 ( -13.577 0.000 10.517) 17.174 2.471 ( -1.875 0.000 1.974) 2.722 2.554 ( -0.713 0.000 5.138) 5.187 2.611 ( 2.221 0.000 -1.232) 2.540 2.711 ( -1.541 0.000 -3.392) 3.726 2.745 ( -3.418 0.000 -1.141) 3.604 2.902 ( -2.805 0.000 -0.786) 2.913 3.020 ( -2.803 0.000 -0.718) 2.894 3.043 ( 5.728 0.000 5.483) 7.929 3.184 ( 1.142 0.000 3.845) 4.011 3.244 ( 0.236 0.000 -1.331) 1.352 3.287 ( 6.263 0.000 -7.814) 10.014 3.333 ( 14.197 0.000 -15.515) 21.030 3.350 ( -3.651 0.000 4.166) 5.539 3.466 ( 5.269 0.000 6.062) 8.032 3.542 ( 5.637 0.000 1.055) 5.735 3.727 ( -2.202 0.000 -10.026) 10.265 3.738 ( 7.726 0.000 -1.479) 7.867 3.801 ( 5.601 0.000 -0.519) 5.625 3.841 ( -3.162 0.000 3.523) 4.734 3.877 ( -3.582 0.000 4.690) 5.901 3.981 ( 2.309 0.000 -5.029) 5.534 4.107 ( -7.312 0.000 7.117) 10.204 4.117 ( -4.433 0.000 -5.272) 6.888 4.158 ( -1.040 0.000 -0.251) 1.070 4.324 ( -4.405 0.000 -7.254) 8.487 4.327 ( -3.191 0.000 -1.076) 3.368 4.394 ( -2.175 0.000 -7.945) 8.237 4.434 ( -2.149 0.000 1.433) 2.583 4.541 ( -2.464 0.000 -4.453) 5.089 4.546 ( -0.561 0.000 -1.270) 1.389 4.711 ( 1.109 0.000 -1.593) 1.940 4.818 ( 3.899 0.000 -6.634) 7.695 4.914 ( -7.663 0.000 1.941) 7.905 4.927 ( -4.666 0.000 1.126) 4.800 5.009 ( -1.797 0.000 -0.926) 2.022 5.038 ( 0.963 0.000 5.919) 5.997 5.141 ( -5.131 0.000 2.563) 5.735 5.187 ( -1.308 0.000 4.495) 4.681 5.205 ( 6.200 0.000 -7.489) 9.722 5.361 ( -1.881 0.000 3.722) 4.171 5.421 ( -3.145 0.000 4.469) 5.465 5.477 ( 1.709 0.000 -0.674) 1.837 5.530 ( -2.374 0.000 3.815) 4.493 5.674 ( -1.090 0.000 -0.492) 1.195 5.674 ( -2.985 0.000 -1.308) 3.259 5.759 ( -2.644 0.000 -2.119) 3.388 5.954 ( -2.383 0.000 -1.181) 2.659 5.959 ( 0.710 0.000 6.551) 6.589 6.005 ( 4.348 0.000 4.353) 6.152 6.031 ( 0.343 0.000 -3.861) 3.876 6.244 ( 0.085 0.000 -1.425) 1.428 6.368 ( -0.830 0.000 -0.772) 1.133 6.421 ( -1.948 0.000 -1.439) 2.422 6.452 ( 1.841 0.000 6.044) 6.318 6.497 ( 1.045 0.000 1.353) 1.710 6.538 ( -6.029 0.000 -5.477) 8.146 6.707 ( 1.734 0.000 2.870) 3.353 6.727 ( -1.974 0.000 1.075) 2.248 7.059 ( 0.336 0.000 -0.024) 0.337 7.117 ( -1.589 0.000 2.068) 2.607 7.216 ( 1.713 0.000 -4.202) 4.538 7.310 ( -1.657 0.000 3.758) 4.107 7.389 ( 1.125 0.000 -6.281) 6.381 7.430 ( 5.275 0.000 3.835) 6.522 7.647 ( -1.109 0.000 -8.944) 9.013 7.790 ( -1.224 0.000 -2.547) 2.826 7.886 ( -0.358 0.000 -0.918) 0.985 7.982 ( 0.844 0.000 -1.023) 1.327 8.126 ( -4.684 0.000 -4.118) 6.237 8.139 ( -7.514 0.000 2.714) 7.989 8.266 ( -2.983 0.000 5.162) 5.962 8.325 ( 1.278 0.000 -2.097) 2.455 8.474 ( 1.120 0.000 -1.825) 2.141 8.566 ( -7.125 0.000 -0.021) 7.125 8.824 ( 2.488 0.000 5.341) 5.892 8.868 ( 1.060 0.000 0.306) 1.103 8.908 ( -2.528 0.000 3.769) 4.538 8.939 ( 0.959 0.000 0.313) 1.009 9.188 ( -3.870 0.000 5.362) 6.613 9.203 ( 5.868 0.000 -1.596) 6.081 9.313 ( 2.087 0.000 0.019) 2.087 9.388 ( -1.474 0.000 5.543) 5.736 9.474 ( -4.602 0.000 -0.774) 4.667 9.584 ( 3.668 0.000 -5.980) 7.016 9.744 ( -0.488 0.000 1.650) 1.720 9.793 ( 3.542 0.000 -4.340) 5.602 9.939 ( 0.981 0.000 -0.817) 1.277 9.959 ( -2.602 0.000 7.196) 7.652 10.030 ( 0.768 0.000 2.341) 2.463 10.234 ( 6.564 0.000 -4.491) 7.953 10.346 ( 1.155 0.000 4.523) 4.668 10.475 ( 0.127 0.000 2.878) 2.880 10.694 ( -4.512 0.000 -0.136) 4.514 10.713 ( 1.933 0.000 -4.072) 4.508 10.816 ( 2.231 0.000 2.842) 3.613 11.005 ( 3.690 0.000 0.799) 3.776 11.116 ( 3.344 0.000 2.510) 4.181 11.155 ( 0.827 0.000 4.210) 4.290 11.224 ( -3.731 0.000 3.264) 4.957 11.404 ( -6.055 0.000 -0.122) 6.057 11.959 ( -1.494 0.000 0.003) 1.494 12.008 ( -1.570 0.000 -3.216) 3.579 12.096 ( 2.412 0.000 -0.561) 2.477 12.181 ( -0.332 0.000 -3.300) 3.316 12.266 ( 2.029 0.000 -7.702) 7.965 12.344 ( 1.065 0.000 -3.524) 3.681 12.397 ( -1.173 0.000 -2.473) 2.737 12.445 ( 1.987 0.000 -5.249) 5.613 12.505 ( -2.525 0.000 -4.322) 5.006 12.563 ( -5.133 0.000 -5.315) 7.389 12.825 ( -0.424 0.000 3.022) 3.052 12.873 ( 2.023 0.000 2.534) 3.242 12.938 ( -1.317 0.000 -2.231) 2.591 12.996 ( 0.838 0.000 -0.540) 0.997 13.095 ( -1.533 0.000 6.192) 6.379 13.107 ( -2.668 0.000 1.510) 3.066 13.126 ( 0.689 0.000 -2.056) 2.168 13.250 ( -6.955 0.000 4.424) 8.243 13.518 ( 0.065 0.000 0.336) 0.342 13.581 ( 6.070 0.000 3.907) 7.218 13.638 ( 2.524 0.000 -1.291) 2.834 13.683 ( 1.992 0.000 -3.041) 3.635 13.743 ( 7.183 0.000 5.945) 9.324 13.852 ( 5.608 0.000 1.092) 5.714 13.863 ( 3.368 0.000 -1.997) 3.915 14.079 ( -4.993 0.000 4.314) 6.598 14.110 ( -7.997 0.000 -4.688) 9.270 14.386 ( -4.271 0.000 -3.472) 5.505 14.483 ( -1.054 0.000 -4.725) 4.841 14.684 ( -8.887 0.000 -3.108) 9.415 14.765 ( 7.288 0.000 3.531) 8.098 14.893 ( 5.504 0.000 1.105) 5.614 15.132 ( 2.475 0.000 5.014) 5.591 15.275 ( 0.667 0.000 1.977) 2.087 15.420 ( -1.411 0.000 -2.381) 2.768 15.464 ( -2.084 0.000 2.247) 3.065 15.487 ( 1.916 0.000 0.665) 2.029 15.563 ( -4.944 0.000 1.766) 5.250 15.783 ( -3.235 0.000 -2.866) 4.322 15.839 ( -6.659 0.000 -0.390) 6.670 16.132 ( 2.075 0.000 6.524) 6.846 16.191 ( -0.530 0.000 5.227) 5.253 16.330 ( 1.371 0.000 -2.381) 2.748 16.411 ( -3.330 0.000 -2.497) 4.162 16.738 ( 8.563 0.000 -8.481) 12.052 16.880 ( -1.816 0.000 3.753) 4.170 16.989 ( 3.414 0.000 2.479) 4.219 17.083 ( 4.223 0.000 0.469) 4.249 19.222 ( 1.794 0.000 1.570) 2.384 19.365 ( -2.937 0.000 -0.664) 3.011 19.619 ( 2.564 0.000 0.875) 2.710 19.619 ( -4.473 0.000 3.944) 5.964 20.945 ( 3.211 0.000 -2.141) 3.860 21.069 ( -3.074 0.000 1.759) 3.542 21.201 ( -0.485 0.000 2.046) 2.103 21.206 ( 0.826 0.000 0.021) 0.826 25.059 ( -1.750 0.000 0.427) 1.802 25.066 ( -0.019 0.000 -1.252) 1.252 25.414 ( 1.869 0.000 -2.652) 3.244 25.615 ( -2.542 0.000 -8.023) 8.416 25.962 ( 0.219 0.000 4.026) 4.032 26.010 ( 1.583 0.000 4.040) 4.339 26.140 ( -0.323 0.000 -2.839) 2.858 26.195 ( -2.150 0.000 -0.797) 2.293 26.609 ( 3.877 0.000 0.797) 3.958 26.740 ( 1.586 0.000 -5.809) 6.021 27.052 ( 4.112 0.000 -4.433) 6.046 27.231 ( -0.397 0.000 -1.024) 1.098 27.421 ( 2.034 0.000 -0.971) 2.254 27.467 ( -1.050 0.000 2.250) 2.483 27.476 ( -0.741 0.000 -2.602) 2.705 27.495 ( -3.675 0.000 2.842) 4.646 27.595 ( -3.159 0.000 0.817) 3.263 27.670 ( 1.602 0.000 -1.175) 1.987 27.782 ( 9.595 0.000 1.242) 9.675 28.037 ( -4.649 0.000 1.023) 4.761 28.051 ( -0.716 0.000 5.756) 5.800 28.169 ( 4.615 0.000 3.587) 5.845 28.283 ( 2.551 0.000 -0.438) 2.588 28.372 ( -0.833 0.000 -1.855) 2.033 28.485 ( 3.346 0.000 -2.985) 4.484 28.549 ( -3.751 0.000 -1.930) 4.218 28.608 ( -2.830 0.000 -3.001) 4.125 28.772 ( -10.095 0.000 3.299) 10.620 28.833 ( -6.916 0.000 10.466) 12.545 29.058 ( -4.360 0.000 11.865) 12.641 29.202 ( -1.402 0.000 -7.608) 7.736 29.578 ( 3.436 0.000 -13.076) 13.520 29.804 ( 0.609 0.000 1.235) 1.377 29.870 ( -0.939 0.000 -1.630) 1.881 30.141 ( 3.349 0.000 -3.211) 4.640 30.318 ( -8.364 0.000 8.656) 12.037 30.666 ( 1.782 0.000 14.486) 14.595 31.115 ( 8.926 0.000 -11.780) 14.779 31.116 ( -3.202 0.000 6.966) 7.667 31.324 ( 7.719 0.000 -13.009) 15.127 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -5.366 0.000 6.298) 8.274 1.803 ( 2.571 0.000 -2.399) 3.516 1.959 ( 17.638 0.000 10.215) 20.382 2.051 ( 1.850 0.000 -2.880) 3.422 2.059 ( -3.420 0.000 3.910) 5.195 2.157 ( 7.556 0.000 -6.068) 9.691 2.233 ( 9.742 0.000 11.047) 14.729 2.264 ( 10.233 0.000 14.664) 17.881 2.480 ( -8.126 0.000 -7.478) 11.044 2.506 ( -0.367 0.000 -3.711) 3.730 2.628 ( -1.605 0.000 1.891) 2.480 2.652 ( 0.171 0.000 -1.237) 1.249 2.720 ( 3.114 0.000 6.045) 6.800 2.879 ( -0.649 0.000 -3.911) 3.965 2.916 ( -5.150 0.000 1.012) 5.249 3.087 ( -2.394 0.000 -11.690) 11.933 3.219 ( -5.361 0.000 6.457) 8.392 3.226 ( 2.726 0.000 11.267) 11.592 3.284 ( -2.690 0.000 -0.572) 2.750 3.305 ( -7.206 0.000 3.324) 7.936 3.425 ( 4.228 0.000 0.600) 4.270 3.516 ( -12.024 0.000 -6.067) 13.468 3.612 ( 1.264 0.000 -2.754) 3.030 3.666 ( 5.365 0.000 -4.190) 6.808 3.770 ( -0.437 0.000 9.667) 9.677 3.777 ( -6.256 0.000 5.728) 8.482 3.916 ( 9.322 0.000 -2.721) 9.711 3.919 ( 2.659 0.000 -1.029) 2.851 3.960 ( 0.512 0.000 -2.635) 2.684 4.016 ( -4.575 0.000 -0.772) 4.640 4.039 ( 0.594 0.000 1.903) 1.994 4.121 ( -0.079 0.000 -4.008) 4.009 4.156 ( -6.112 0.000 -13.978) 15.256 4.249 ( 8.154 0.000 -11.354) 13.979 4.412 ( 5.966 0.000 3.274) 6.805 4.414 ( -3.642 0.000 3.399) 4.981 4.488 ( -0.122 0.000 -1.842) 1.846 4.506 ( -1.162 0.000 -3.412) 3.604 4.693 ( -2.545 0.000 2.440) 3.525 4.776 ( -7.127 0.000 -3.683) 8.022 4.836 ( -0.738 0.000 0.687) 1.009 4.869 ( 4.758 0.000 -2.616) 5.430 5.026 ( -3.335 0.000 0.801) 3.430 5.032 ( 4.627 0.000 0.083) 4.628 5.088 ( -3.533 0.000 3.679) 5.101 5.189 ( 1.637 0.000 -6.026) 6.244 5.311 ( 4.863 0.000 5.064) 7.021 5.365 ( -1.769 0.000 -1.772) 2.503 5.428 ( 2.712 0.000 8.421) 8.847 5.528 ( 1.192 0.000 0.106) 1.197 5.530 ( -2.255 0.000 2.771) 3.573 5.608 ( -3.181 0.000 -5.946) 6.743 5.651 ( 2.001 0.000 0.559) 2.077 5.676 ( -2.738 0.000 -1.562) 3.153 5.935 ( 0.116 0.000 1.123) 1.129 5.999 ( 1.064 0.000 -3.768) 3.915 6.072 ( 3.214 0.000 6.511) 7.261 6.160 ( 2.135 0.000 4.327) 4.825 6.220 ( 2.646 0.000 -0.973) 2.819 6.308 ( -7.229 0.000 -2.280) 7.580 6.364 ( -2.095 0.000 -1.056) 2.347 6.391 ( -1.604 0.000 -4.579) 4.852 6.516 ( -0.565 0.000 3.355) 3.403 6.532 ( 1.622 0.000 1.442) 2.171 6.741 ( 0.595 0.000 2.479) 2.549 6.744 ( 0.140 0.000 1.935) 1.940 7.061 ( -3.521 0.000 -0.953) 3.648 7.086 ( 3.595 0.000 -1.713) 3.982 7.280 ( 4.582 0.000 1.113) 4.715 7.307 ( -2.252 0.000 0.141) 2.256 7.379 ( 1.768 0.000 1.401) 2.256 7.467 ( -3.750 0.000 -2.985) 4.793 7.621 ( 7.116 0.000 -1.497) 7.272 7.677 ( -5.991 0.000 -5.256) 7.970 7.916 ( -5.719 0.000 0.676) 5.759 7.933 ( 6.038 0.000 -0.829) 6.094 8.040 ( -6.879 0.000 2.371) 7.276 8.135 ( 8.874 0.000 -6.828) 11.197 8.267 ( -2.421 0.000 4.399) 5.022 8.337 ( 3.396 0.000 -2.542) 4.242 8.481 ( -4.400 0.000 2.031) 4.847 8.509 ( 3.479 0.000 -0.323) 3.494 8.886 ( -2.987 0.000 1.089) 3.179 8.887 ( 1.474 0.000 1.112) 1.847 8.919 ( 2.865 0.000 1.508) 3.237 8.944 ( -0.322 0.000 -0.326) 0.459 9.152 ( -6.049 0.000 5.909) 8.456 9.264 ( 2.964 0.000 -2.313) 3.759 9.361 ( 1.575 0.000 2.528) 2.979 9.400 ( -4.027 0.000 3.916) 5.617 9.414 ( -0.388 0.000 1.214) 1.275 9.562 ( 1.032 0.000 -5.701) 5.794 9.742 ( -1.494 0.000 1.557) 2.158 9.796 ( 2.460 0.000 -4.443) 5.079 9.954 ( -1.313 0.000 1.730) 2.172 9.981 ( 4.837 0.000 -0.980) 4.935 10.121 ( 1.022 0.000 5.920) 6.007 10.237 ( -0.491 0.000 -5.319) 5.342 10.419 ( 1.220 0.000 5.176) 5.318 10.474 ( -2.187 0.000 0.165) 2.193 10.650 ( -1.756 0.000 1.232) 2.145 10.706 ( 2.207 0.000 -3.949) 4.524 10.957 ( 7.006 0.000 8.224) 10.803 11.105 ( -9.210 0.000 -2.633) 9.579 11.115 ( 6.026 0.000 3.519) 6.978 11.160 ( -2.280 0.000 -2.668) 3.510 11.225 ( 5.574 0.000 3.197) 6.426 11.259 ( -8.127 0.000 -1.269) 8.226 11.941 ( -0.213 0.000 -0.086) 0.229 11.966 ( 0.982 0.000 -2.868) 3.031 12.125 ( -2.643 0.000 -1.058) 2.847 12.134 ( 1.912 0.000 -0.354) 1.944 12.302 ( -6.805 0.000 -3.592) 7.695 12.319 ( 8.220 0.000 -3.554) 8.956 12.338 ( 1.365 0.000 -0.516) 1.460 12.384 ( -4.603 0.000 -4.630) 6.529 12.440 ( -1.069 0.000 -1.453) 1.804 12.450 ( 0.517 0.000 -2.400) 2.455 12.838 ( -2.439 0.000 5.399) 5.924 12.880 ( -3.392 0.000 1.691) 3.790 12.943 ( -2.208 0.000 -3.063) 3.776 12.955 ( 5.919 0.000 -3.966) 7.125 13.114 ( -1.617 0.000 3.466) 3.824 13.153 ( 4.544 0.000 0.907) 4.634 13.172 ( -6.208 0.000 3.060) 6.921 13.179 ( 5.166 0.000 -0.265) 5.173 13.518 ( -3.684 0.000 5.466) 6.591 13.627 ( -0.611 0.000 -1.153) 1.305 13.678 ( 1.434 0.000 0.788) 1.636 13.684 ( 1.045 0.000 -1.321) 1.685 13.856 ( 4.326 0.000 -1.898) 4.724 13.876 ( -5.555 0.000 -8.147) 9.861 13.981 ( -2.241 0.000 6.003) 6.408 14.026 ( 9.809 0.000 3.675) 10.475 14.131 ( 3.114 0.000 7.475) 8.097 14.269 ( -2.676 0.000 -6.307) 6.851 14.438 ( 1.748 0.000 -3.132) 3.586 14.483 ( -5.877 0.000 -5.666) 8.163 14.895 ( 2.367 0.000 2.831) 3.690 14.938 ( -0.130 0.000 -1.559) 1.564 15.266 ( 4.628 0.000 8.120) 9.346 15.305 ( -1.836 0.000 3.636) 4.073 15.372 ( 0.154 0.000 -2.788) 2.793 15.391 ( -5.872 0.000 -4.185) 7.211 15.476 ( -2.878 0.000 2.859) 4.057 15.529 ( 3.027 0.000 -1.034) 3.199 15.729 ( -5.072 0.000 -0.691) 5.119 15.778 ( 5.430 0.000 -3.425) 6.420 16.220 ( 0.504 0.000 5.761) 5.783 16.263 ( 0.783 0.000 7.322) 7.364 16.293 ( -3.212 0.000 -0.792) 3.308 16.361 ( 0.830 0.000 -4.418) 4.495 16.804 ( -6.794 0.000 -1.407) 6.938 16.809 ( 6.828 0.000 -3.651) 7.742 17.072 ( 1.692 0.000 2.846) 3.311 17.113 ( -0.467 0.000 -1.302) 1.383 19.272 ( 2.335 0.000 1.581) 2.819 19.300 ( -2.623 0.000 -1.443) 2.993 19.596 ( -2.716 0.000 4.248) 5.042 19.656 ( 2.326 0.000 -1.333) 2.681 21.004 ( -4.432 0.000 -0.153) 4.434 21.005 ( 4.801 0.000 -0.447) 4.821 21.217 ( -0.764 0.000 2.130) 2.263 21.232 ( 0.699 0.000 0.465) 0.840 25.041 ( -0.626 0.000 0.299) 0.694 25.048 ( -0.669 0.000 -0.721) 0.984 25.434 ( 1.883 0.000 0.136) 1.888 25.492 ( -3.169 0.000 -5.912) 6.707 26.011 ( 0.283 0.000 4.509) 4.518 26.070 ( 0.851 0.000 1.861) 2.047 26.111 ( 0.442 0.000 -1.436) 1.503 26.148 ( -1.595 0.000 -2.051) 2.598 26.666 ( 1.938 0.000 0.389) 1.977 26.713 ( 1.251 0.000 -4.785) 4.946 27.116 ( 6.125 0.000 -1.007) 6.208 27.138 ( -6.646 0.000 -3.251) 7.399 27.433 ( -3.599 0.000 1.384) 3.856 27.446 ( 1.089 0.000 0.170) 1.102 27.471 ( -2.973 0.000 1.709) 3.429 27.485 ( 2.731 0.000 -0.607) 2.797 27.554 ( -3.628 0.000 4.232) 5.575 27.655 ( 1.494 0.000 -3.730) 4.018 27.910 ( -8.467 0.000 0.398) 8.477 27.938 ( 7.911 0.000 -0.508) 7.927 28.120 ( 1.323 0.000 5.945) 6.090 28.211 ( -0.221 0.000 -3.203) 3.210 28.378 ( -0.234 0.000 3.974) 3.981 28.384 ( 1.917 0.000 1.517) 2.444 28.493 ( -1.559 0.000 -2.050) 2.576 28.514 ( 3.230 0.000 -2.814) 4.284 28.609 ( 8.658 0.000 0.664) 8.683 28.613 ( -10.162 0.000 -0.070) 10.162 28.891 ( -0.089 0.000 10.679) 10.680 29.082 ( -1.630 0.000 -5.193) 5.443 29.168 ( 1.243 0.000 9.508) 9.589 29.462 ( 1.630 0.000 -16.593) 16.672 29.818 ( -1.052 0.000 2.213) 2.450 29.849 ( 0.034 0.000 -1.138) 1.139 30.223 ( -9.503 0.000 4.150) 10.370 30.258 ( 10.603 0.000 0.499) 10.615 30.825 ( -1.240 0.000 14.626) 14.679 31.086 ( -8.202 0.000 8.186) 11.588 31.089 ( 2.183 0.000 -12.618) 12.806 31.323 ( 8.255 0.000 -14.028) 16.277 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -20.330 0.000 10.928) 23.081 1.683 ( -25.143 0.000 -11.343) 27.583 1.799 ( -2.971 0.000 -14.256) 14.563 2.075 ( 4.724 0.000 -9.688) 10.779 2.143 ( -2.894 0.000 -9.260) 9.702 2.160 ( 0.122 0.000 -10.923) 10.923 2.176 ( -3.031 0.000 -4.457) 5.390 2.391 ( 10.005 0.000 -9.468) 13.775 2.487 ( 2.239 0.000 6.397) 6.777 2.618 ( 3.838 0.000 5.965) 7.093 2.637 ( -8.693 0.000 -5.597) 10.340 2.667 ( 6.323 0.000 -3.624) 7.287 2.726 ( 2.806 0.000 -0.243) 2.817 2.847 ( 1.764 0.000 6.636) 6.866 2.929 ( -18.066 0.000 12.912) 22.206 3.011 ( 2.225 0.000 -3.904) 4.493 3.099 ( -6.928 0.000 8.181) 10.720 3.154 ( -11.077 0.000 -1.128) 11.135 3.174 ( -8.484 0.000 4.059) 9.405 3.278 ( -9.314 0.000 -1.386) 9.417 3.344 ( -0.874 0.000 7.444) 7.495 3.522 ( 4.074 0.000 4.208) 5.857 3.526 ( -6.019 0.000 3.470) 6.948 3.592 ( -4.075 0.000 -0.304) 4.087 3.770 ( -2.030 0.000 -3.887) 4.385 3.865 ( 0.329 0.000 0.800) 0.865 3.869 ( -5.479 0.000 -6.762) 8.703 3.940 ( 1.442 0.000 0.352) 1.485 4.016 ( 10.645 0.000 -8.486) 13.613 4.060 ( 0.558 0.000 -1.452) 1.556 4.102 ( 5.236 0.000 3.256) 6.166 4.117 ( 2.709 0.000 9.001) 9.400 4.138 ( 6.692 0.000 9.438) 11.570 4.332 ( 8.523 0.000 -9.068) 12.445 4.389 ( 3.304 0.000 -3.458) 4.783 4.472 ( 0.165 0.000 0.570) 0.594 4.478 ( 0.627 0.000 -2.197) 2.285 4.553 ( 5.646 0.000 0.314) 5.655 4.653 ( -3.296 0.000 2.470) 4.119 4.677 ( -3.463 0.000 6.470) 7.339 4.922 ( 5.448 0.000 1.523) 5.657 4.957 ( 5.762 0.000 -2.203) 6.169 4.987 ( -0.902 0.000 0.706) 1.146 5.068 ( -4.990 0.000 6.300) 8.037 5.123 ( 6.298 0.000 -2.094) 6.638 5.178 ( 4.070 0.000 -3.971) 5.686 5.345 ( 2.817 0.000 -4.048) 4.932 5.428 ( 4.913 0.000 1.539) 5.148 5.455 ( -3.491 0.000 -8.917) 9.576 5.517 ( 0.997 0.000 -1.047) 1.446 5.563 ( 0.934 0.000 2.518) 2.686 5.575 ( 2.064 0.000 9.276) 9.503 5.645 ( 1.422 0.000 -1.407) 2.001 5.734 ( 4.521 0.000 1.392) 4.730 5.962 ( 0.185 0.000 1.846) 1.855 5.980 ( 1.957 0.000 -4.110) 4.552 6.096 ( -9.103 0.000 -4.327) 10.079 6.097 ( -1.019 0.000 -6.322) 6.404 6.187 ( 1.891 0.000 4.668) 5.036 6.319 ( 0.088 0.000 4.655) 4.656 6.393 ( 2.637 0.000 6.348) 6.874 6.399 ( 2.614 0.000 0.164) 2.619 6.505 ( -2.538 0.000 0.592) 2.606 6.559 ( 0.937 0.000 -1.963) 2.175 6.758 ( 1.049 0.000 -0.987) 1.440 6.760 ( -0.192 0.000 -1.025) 1.043 7.018 ( -1.356 0.000 1.964) 2.387 7.141 ( 3.704 0.000 -0.722) 3.774 7.233 ( -2.347 0.000 -5.448) 5.932 7.325 ( -0.388 0.000 0.149) 0.416 7.397 ( 1.269 0.000 -3.936) 4.136 7.456 ( -2.264 0.000 8.151) 8.460 7.526 ( -2.098 0.000 -5.147) 5.558 7.736 ( 4.130 0.000 2.393) 4.773 7.849 ( -2.922 0.000 1.462) 3.268 7.939 ( -4.805 0.000 1.553) 5.050 8.084 ( 9.453 0.000 0.979) 9.504 8.227 ( 8.667 0.000 -5.614) 10.327 8.281 ( -0.027 0.000 2.653) 2.653 8.376 ( 4.824 0.000 -5.527) 7.336 8.442 ( -2.125 0.000 1.742) 2.748 8.579 ( 5.133 0.000 -0.085) 5.134 8.845 ( -1.133 0.000 -0.739) 1.353 8.909 ( -0.982 0.000 2.626) 2.803 8.934 ( 1.423 0.000 -2.690) 3.043 8.965 ( 1.754 0.000 -1.450) 2.276 9.107 ( -6.599 0.000 6.223) 9.070 9.252 ( -3.114 0.000 0.998) 3.270 9.355 ( -0.066 0.000 -4.246) 4.247 9.414 ( 0.924 0.000 3.601) 3.718 9.458 ( -0.316 0.000 5.224) 5.234 9.523 ( 0.396 0.000 -3.991) 4.011 9.735 ( -0.889 0.000 1.738) 1.952 9.800 ( 3.433 0.000 -4.745) 5.857 9.946 ( -0.398 0.000 -1.114) 1.184 10.072 ( 8.109 0.000 -3.584) 8.866 10.125 ( -4.758 0.000 -6.712) 8.228 10.138 ( -5.608 0.000 5.198) 7.647 10.416 ( -2.934 0.000 -2.223) 3.681 10.470 ( -0.846 0.000 3.525) 3.625 10.641 ( -2.037 0.000 2.890) 3.535 10.719 ( 3.397 0.000 -2.722) 4.352 10.915 ( -5.909 0.000 -5.874) 8.332 11.048 ( -5.044 0.000 -3.480) 6.128 11.137 ( -5.811 0.000 0.082) 5.811 11.146 ( 3.865 0.000 4.897) 6.239 11.255 ( 6.971 0.000 2.112) 7.284 11.366 ( 6.592 0.000 3.716) 7.567 11.955 ( 1.639 0.000 0.910) 1.875 11.978 ( 2.796 0.000 -2.187) 3.549 12.077 ( -2.803 0.000 0.805) 2.916 12.128 ( -9.117 0.000 4.001) 9.956 12.167 ( 1.843 0.000 -1.773) 2.558 12.308 ( -1.742 0.000 -0.121) 1.746 12.355 ( 1.267 0.000 0.470) 1.351 12.379 ( -1.116 0.000 1.815) 2.131 12.461 ( 2.091 0.000 -0.294) 2.112 12.503 ( 6.478 0.000 1.322) 6.612 12.827 ( -4.045 0.000 2.077) 4.547 12.857 ( -1.364 0.000 3.934) 4.164 12.919 ( 3.067 0.000 -1.221) 3.302 13.002 ( 0.477 0.000 -0.648) 0.805 13.112 ( -1.988 0.000 0.380) 2.024 13.130 ( 2.677 0.000 -0.464) 2.717 13.196 ( 2.389 0.000 -4.143) 4.782 13.293 ( 6.398 0.000 0.461) 6.414 13.497 ( -5.987 0.000 6.894) 9.131 13.567 ( -7.192 0.000 0.635) 7.220 13.666 ( -2.792 0.000 -1.412) 3.129 13.672 ( -1.753 0.000 -5.471) 5.745 13.741 ( -1.674 0.000 4.489) 4.791 13.854 ( -4.661 0.000 -0.157) 4.663 13.921 ( -3.502 0.000 -6.395) 7.291 14.129 ( 6.865 0.000 -6.078) 9.169 14.217 ( 2.944 0.000 -6.234) 6.894 14.299 ( 6.832 0.000 5.472) 8.753 14.430 ( 2.395 0.000 0.261) 2.409 14.562 ( 9.810 0.000 7.178) 12.156 14.854 ( -5.764 0.000 -5.101) 7.697 14.896 ( -4.268 0.000 0.717) 4.328 15.208 ( -5.470 0.000 -1.460) 5.661 15.300 ( -2.105 0.000 0.147) 2.110 15.375 ( 1.590 0.000 1.169) 1.974 15.469 ( -1.538 0.000 2.080) 2.587 15.481 ( 6.253 0.000 1.697) 6.479 15.606 ( 8.891 0.000 -0.106) 8.891 15.662 ( -3.534 0.000 3.178) 4.752 15.873 ( 8.791 0.000 -2.885) 9.252 16.222 ( -3.803 0.000 -1.461) 4.074 16.262 ( -1.281 0.000 4.474) 4.654 16.320 ( 0.375 0.000 -6.104) 6.115 16.356 ( 2.770 0.000 5.095) 5.799 16.656 ( -8.204 0.000 -0.912) 8.255 16.897 ( 4.480 0.000 1.427) 4.702 17.042 ( -4.853 0.000 -3.235) 5.833 17.080 ( -3.076 0.000 0.852) 3.192 19.252 ( -1.417 0.000 -1.395) 1.988 19.340 ( 3.621 0.000 1.744) 4.020 19.607 ( -0.824 0.000 2.960) 3.072 19.686 ( 3.526 0.000 -2.454) 4.296 20.927 ( -3.908 0.000 -0.373) 3.926 21.088 ( 4.897 0.000 -0.257) 4.903 21.202 ( -2.796 0.000 0.859) 2.924 21.228 ( -0.831 0.000 -0.755) 1.122 25.042 ( -0.311 0.000 1.255) 1.293 25.045 ( 0.427 0.000 1.544) 1.602 25.395 ( -3.393 0.000 -1.770) 3.827 25.478 ( 0.670 0.000 4.280) 4.332 26.048 ( -0.065 0.000 -4.278) 4.278 26.057 ( -0.039 0.000 3.461) 3.461 26.099 ( -1.236 0.000 -2.494) 2.784 26.156 ( 1.824 0.000 3.272) 3.747 26.677 ( 0.350 0.000 -5.978) 5.988 26.683 ( -0.193 0.000 0.120) 0.228 27.000 ( -6.021 0.000 0.185) 6.024 27.209 ( 3.181 0.000 0.964) 3.324 27.393 ( -2.560 0.000 2.530) 3.599 27.432 ( -2.321 0.000 1.268) 2.645 27.458 ( -1.334 0.000 2.070) 2.463 27.529 ( 2.684 0.000 -0.482) 2.727 27.567 ( -1.310 0.000 6.675) 6.802 27.649 ( 0.771 0.000 -2.323) 2.447 27.784 ( -5.995 0.000 -0.610) 6.026 28.053 ( 5.659 0.000 0.256) 5.665 28.161 ( 0.127 0.000 -4.949) 4.951 28.196 ( 1.058 0.000 2.982) 3.164 28.331 ( -9.136 0.000 -4.425) 10.151 28.375 ( 0.058 0.000 0.044) 0.072 28.433 ( -3.770 0.000 -0.066) 3.771 28.522 ( 0.945 0.000 1.697) 1.942 28.561 ( 5.127 0.000 -0.359) 5.139 28.812 ( 11.258 0.000 -0.441) 11.267 29.018 ( 2.882 0.000 -7.410) 7.951 29.027 ( 3.621 0.000 9.967) 10.604 29.309 ( 1.186 0.000 11.849) 11.909 29.334 ( 2.961 0.000 -15.530) 15.810 29.828 ( -0.411 0.000 2.823) 2.853 29.844 ( 0.314 0.000 -1.287) 1.324 30.102 ( -6.660 0.000 1.188) 6.765 30.449 ( 11.441 0.000 -3.765) 12.045 30.879 ( -7.988 0.000 11.552) 14.045 30.946 ( -3.279 0.000 -13.299) 13.697 31.052 ( -7.067 0.000 13.272) 15.036 31.315 ( 6.048 0.000 -13.388) 14.690 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -30.338 0.000 -8.137) 31.410 1.293 ( -23.981 0.000 18.191) 30.100 1.692 ( 3.256 0.000 -13.643) 14.026 1.866 ( -5.828 0.000 -2.881) 6.501 2.021 ( -1.087 0.000 -10.452) 10.509 2.050 ( 7.341 0.000 -18.353) 19.767 2.236 ( 7.339 0.000 -4.720) 8.726 2.370 ( -26.580 0.000 20.633) 33.648 2.433 ( -0.142 0.000 -3.834) 3.837 2.558 ( -2.479 0.000 0.207) 2.487 2.589 ( -2.457 0.000 -4.414) 5.052 2.685 ( -4.607 0.000 2.768) 5.375 2.721 ( 0.646 0.000 -1.533) 1.664 2.809 ( 3.862 0.000 0.269) 3.871 2.909 ( -0.836 0.000 3.630) 3.725 2.957 ( -6.945 0.000 -0.193) 6.947 3.038 ( 1.294 0.000 2.642) 2.942 3.122 ( -2.342 0.000 3.019) 3.821 3.133 ( -6.404 0.000 1.567) 6.593 3.212 ( 0.650 0.000 8.860) 8.884 3.362 ( -3.504 0.000 3.585) 5.013 3.491 ( -4.920 0.000 6.097) 7.834 3.496 ( -2.200 0.000 -4.462) 4.975 3.645 ( -0.856 0.000 6.840) 6.893 3.673 ( 2.907 0.000 -13.388) 13.700 3.731 ( -4.856 0.000 -1.584) 5.108 3.882 ( 1.645 0.000 1.719) 2.379 3.952 ( 0.028 0.000 -0.542) 0.543 4.046 ( 1.514 0.000 -1.878) 2.412 4.172 ( 9.783 0.000 1.628) 9.917 4.176 ( 1.637 0.000 0.306) 1.665 4.252 ( 1.475 0.000 -3.942) 4.209 4.313 ( 3.367 0.000 10.933) 11.439 4.345 ( -0.159 0.000 1.044) 1.056 4.453 ( 5.475 0.000 -1.379) 5.646 4.457 ( 0.370 0.000 -3.284) 3.305 4.553 ( 5.549 0.000 3.404) 6.510 4.566 ( -0.523 0.000 -2.045) 2.110 4.699 ( 2.235 0.000 0.486) 2.287 4.705 ( -1.650 0.000 6.493) 6.699 4.954 ( -5.212 0.000 2.752) 5.894 4.995 ( 0.248 0.000 2.735) 2.746 5.007 ( 1.722 0.000 0.676) 1.850 5.069 ( 0.406 0.000 1.509) 1.563 5.156 ( 5.957 0.000 -9.726) 11.405 5.270 ( 1.010 0.000 -8.694) 8.753 5.283 ( 6.007 0.000 -0.941) 6.080 5.451 ( 6.814 0.000 -1.269) 6.931 5.462 ( -1.419 0.000 -4.065) 4.306 5.515 ( -0.660 0.000 -2.704) 2.783 5.591 ( 1.213 0.000 -0.516) 1.318 5.688 ( 4.828 0.000 3.527) 5.979 5.715 ( 5.017 0.000 1.274) 5.176 5.792 ( 1.959 0.000 -0.102) 1.962 5.943 ( -2.937 0.000 1.458) 3.279 5.947 ( -1.441 0.000 -1.082) 1.802 6.028 ( 3.226 0.000 -2.666) 4.185 6.082 ( 3.447 0.000 -1.633) 3.815 6.228 ( -0.694 0.000 1.491) 1.644 6.345 ( -1.893 0.000 1.755) 2.581 6.434 ( -3.320 0.000 -0.296) 3.333 6.438 ( 0.453 0.000 -0.715) 0.847 6.458 ( -2.570 0.000 1.897) 3.194 6.583 ( 3.116 0.000 4.043) 5.104 6.699 ( -2.457 0.000 -4.640) 5.250 6.788 ( 4.411 0.000 -0.619) 4.454 7.058 ( 2.180 0.000 3.201) 3.873 7.119 ( -4.856 0.000 -3.745) 6.132 7.195 ( 2.172 0.000 1.508) 2.644 7.307 ( -1.789 0.000 0.157) 1.796 7.373 ( -4.703 0.000 -1.239) 4.864 7.411 ( 4.092 0.000 -2.409) 4.749 7.594 ( 2.290 0.000 6.282) 6.686 7.782 ( -0.783 0.000 1.472) 1.667 7.845 ( -2.231 0.000 5.046) 5.518 7.912 ( -0.641 0.000 3.272) 3.334 8.226 ( -0.753 0.000 4.278) 4.343 8.311 ( 6.817 0.000 -4.502) 8.169 8.358 ( 12.154 0.000 -0.864) 12.185 8.373 ( 2.870 0.000 -7.547) 8.075 8.466 ( 2.642 0.000 2.239) 3.463 8.688 ( 6.093 0.000 1.422) 6.257 8.846 ( 4.353 0.000 -3.734) 5.735 8.896 ( -3.201 0.000 0.060) 3.201 8.944 ( -1.455 0.000 -1.086) 1.816 8.954 ( 5.594 0.000 -5.188) 7.629 9.039 ( -7.235 0.000 3.959) 8.247 9.209 ( -4.922 0.000 5.450) 7.343 9.303 ( -1.062 0.000 -4.210) 4.342 9.434 ( -1.225 0.000 -0.872) 1.503 9.473 ( -1.208 0.000 -0.079) 1.211 9.520 ( 1.120 0.000 1.632) 1.979 9.739 ( -0.077 0.000 -1.564) 1.566 9.815 ( 3.646 0.000 -4.992) 6.182 9.911 ( -3.003 0.000 -0.008) 3.003 9.979 ( -3.561 0.000 -5.371) 6.444 10.064 ( -6.300 0.000 3.397) 7.157 10.186 ( 9.465 0.000 -4.413) 10.443 10.348 ( -1.714 0.000 -1.553) 2.313 10.461 ( -2.459 0.000 1.080) 2.685 10.631 ( -3.274 0.000 4.353) 5.447 10.774 ( 3.948 0.000 0.830) 4.034 10.811 ( -1.503 0.000 -2.437) 2.863 10.973 ( -0.635 0.000 -0.877) 1.083 11.056 ( -3.980 0.000 1.097) 4.128 11.169 ( -0.227 0.000 -4.321) 4.327 11.327 ( 1.665 0.000 -4.606) 4.898 11.478 ( 2.072 0.000 -0.370) 2.104 11.980 ( -1.190 0.000 -0.655) 1.358 12.023 ( 3.427 0.000 2.699) 4.362 12.087 ( 3.894 0.000 0.359) 3.910 12.098 ( -0.724 0.000 10.082) 10.108 12.223 ( 2.017 0.000 4.254) 4.708 12.304 ( -0.356 0.000 2.543) 2.568 12.357 ( -2.303 0.000 4.211) 4.800 12.400 ( 0.207 0.000 1.122) 1.141 12.515 ( 2.918 0.000 2.425) 3.795 12.561 ( -1.434 0.000 0.878) 1.681 12.805 ( -0.324 0.000 1.202) 1.245 12.849 ( -1.024 0.000 -1.104) 1.506 12.954 ( -3.366 0.000 -1.586) 3.721 13.026 ( 6.724 0.000 2.489) 7.170 13.130 ( 2.338 0.000 2.955) 3.768 13.158 ( -0.975 0.000 -4.569) 4.672 13.205 ( 5.354 0.000 0.414) 5.370 13.300 ( -8.462 0.000 -2.513) 8.827 13.448 ( -6.769 0.000 4.769) 8.281 13.467 ( 1.014 0.000 0.936) 1.380 13.544 ( -7.948 0.000 -2.079) 8.215 13.654 ( 0.880 0.000 3.076) 3.200 13.738 ( -7.417 0.000 0.819) 7.462 13.801 ( -0.477 0.000 -2.203) 2.254 13.825 ( 7.343 0.000 -6.485) 9.796 14.222 ( 6.683 0.000 -2.611) 7.174 14.235 ( 5.566 0.000 -2.414) 6.067 14.425 ( 2.527 0.000 2.636) 3.652 14.533 ( 6.735 0.000 1.654) 6.935 14.656 ( -8.538 0.000 -6.198) 10.550 14.777 ( -7.831 0.000 -1.441) 7.962 14.813 ( 9.335 0.000 4.555) 10.387 15.130 ( -2.044 0.000 -2.780) 3.450 15.274 ( -0.524 0.000 -0.348) 0.629 15.399 ( -1.105 0.000 1.509) 1.870 15.475 ( 0.745 0.000 1.531) 1.703 15.536 ( 2.627 0.000 -3.120) 4.078 15.602 ( -2.089 0.000 -2.539) 3.288 15.862 ( 10.685 0.000 8.328) 13.547 16.000 ( 9.073 0.000 -3.377) 9.681 16.128 ( -3.748 0.000 -3.769) 5.315 16.269 ( 1.932 0.000 -6.553) 6.832 16.272 ( -1.679 0.000 2.210) 2.776 16.462 ( 4.738 0.000 2.859) 5.533 16.527 ( -7.938 0.000 3.426) 8.645 16.897 ( -6.765 0.000 -4.757) 8.271 16.972 ( 2.030 0.000 -0.330) 2.057 16.988 ( -7.285 0.000 -0.500) 7.302 19.220 ( -0.288 0.000 -2.265) 2.284 19.415 ( 2.683 0.000 -0.843) 2.812 19.582 ( -3.410 0.000 -2.362) 4.148 19.723 ( 3.391 0.000 -2.604) 4.276 20.881 ( -1.798 0.000 2.124) 2.782 21.108 ( -2.541 0.000 -3.010) 3.939 21.197 ( 2.359 0.000 2.734) 3.611 21.214 ( 0.502 0.000 0.897) 1.028 25.046 ( -0.941 0.000 1.362) 1.655 25.104 ( 4.186 0.000 1.561) 4.467 25.350 ( -2.241 0.000 2.774) 3.566 25.556 ( 0.543 0.000 9.858) 9.873 26.006 ( 0.700 0.000 -4.498) 4.552 26.018 ( -2.100 0.000 -4.259) 4.749 26.113 ( 0.414 0.000 3.888) 3.910 26.217 ( 1.685 0.000 2.478) 2.996 26.579 ( -4.296 0.000 -7.723) 8.837 26.677 ( -1.423 0.000 2.757) 3.103 26.960 ( -1.444 0.000 3.930) 4.186 27.206 ( -2.874 0.000 -0.167) 2.878 27.374 ( -2.093 0.000 0.153) 2.099 27.420 ( -7.211 0.000 3.604) 8.061 27.476 ( 2.706 0.000 4.378) 5.147 27.545 ( -0.919 0.000 -2.157) 2.345 27.624 ( -0.048 0.000 3.446) 3.446 27.625 ( -0.849 0.000 -1.704) 1.904 27.710 ( 1.479 0.000 -2.956) 3.305 28.059 ( -5.098 0.000 -3.228) 6.034 28.134 ( 2.593 0.000 -5.258) 5.862 28.148 ( 1.357 0.000 1.207) 1.816 28.252 ( -1.172 0.000 0.235) 1.195 28.383 ( -3.895 0.000 4.126) 5.674 28.403 ( 3.377 0.000 -0.294) 3.389 28.585 ( 3.070 0.000 2.757) 4.126 28.671 ( 6.655 0.000 1.194) 6.761 28.970 ( 8.569 0.000 -1.046) 8.632 29.065 ( 10.208 0.000 -3.911) 10.932 29.183 ( 4.356 0.000 5.251) 6.822 29.266 ( 5.355 0.000 -11.811) 12.968 29.426 ( -0.503 0.000 9.833) 9.846 29.799 ( -2.905 0.000 -4.866) 5.668 29.863 ( 0.691 0.000 3.559) 3.626 30.058 ( -1.805 0.000 5.211) 5.515 30.499 ( 0.094 0.000 -7.556) 7.557 30.736 ( -5.042 0.000 -12.128) 13.134 30.861 ( -5.024 0.000 9.304) 10.574 31.073 ( -6.334 0.000 11.800) 13.393 31.235 ( -0.677 0.000 -12.849) 12.867 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 9.761 0.000 35.987) 37.287 1.114 ( -20.203 0.000 24.187) 31.515 1.630 ( 7.205 0.000 -16.817) 18.296 1.922 ( 4.725 0.000 7.896) 9.202 1.983 ( -7.529 0.000 15.177) 16.942 2.026 ( 13.332 0.000 -16.977) 21.586 2.127 ( -18.538 0.000 21.740) 28.571 2.338 ( 8.461 0.000 -2.524) 8.829 2.404 ( -1.109 0.000 -0.256) 1.138 2.501 ( -1.305 0.000 -5.618) 5.767 2.578 ( 0.423 0.000 7.563) 7.575 2.696 ( -2.843 0.000 2.984) 4.121 2.734 ( 5.053 0.000 0.943) 5.140 2.792 ( -4.512 0.000 1.589) 4.784 2.936 ( -0.333 0.000 2.171) 2.196 2.973 ( 5.339 0.000 0.107) 5.340 3.014 ( -2.471 0.000 -2.530) 3.537 3.078 ( -2.266 0.000 0.892) 2.436 3.155 ( 0.363 0.000 2.980) 3.002 3.274 ( -5.336 0.000 -5.886) 7.945 3.289 ( 0.372 0.000 5.909) 5.921 3.416 ( -5.299 0.000 -0.716) 5.347 3.498 ( 0.385 0.000 4.858) 4.874 3.574 ( 2.114 0.000 -10.847) 11.051 3.636 ( -2.542 0.000 -0.127) 2.545 3.732 ( 2.563 0.000 3.254) 4.143 3.916 ( -0.599 0.000 -7.467) 7.491 3.946 ( 1.007 0.000 4.897) 5.000 4.050 ( -0.294 0.000 -1.351) 1.382 4.113 ( -1.536 0.000 -10.507) 10.619 4.254 ( 0.887 0.000 1.054) 1.377 4.300 ( -3.915 0.000 6.471) 7.563 4.311 ( -4.420 0.000 0.754) 4.484 4.397 ( -1.942 0.000 -5.195) 5.546 4.444 ( 8.687 0.000 2.559) 9.056 4.510 ( 1.247 0.000 0.709) 1.434 4.544 ( 0.433 0.000 -1.870) 1.920 4.682 ( 1.613 0.000 3.476) 3.832 4.723 ( 2.513 0.000 -1.376) 2.865 4.734 ( -0.376 0.000 5.554) 5.567 4.872 ( -4.618 0.000 4.080) 6.162 5.002 ( 1.225 0.000 -7.092) 7.197 5.033 ( -0.757 0.000 1.371) 1.566 5.078 ( 1.233 0.000 -2.097) 2.433 5.154 ( 2.589 0.000 -6.267) 6.781 5.246 ( 1.876 0.000 -3.326) 3.819 5.319 ( -4.090 0.000 -7.117) 8.209 5.362 ( 2.957 0.000 -3.184) 4.345 5.470 ( -2.902 0.000 -1.421) 3.231 5.510 ( 3.919 0.000 -9.844) 10.595 5.611 ( 1.449 0.000 1.907) 2.395 5.749 ( -1.589 0.000 -1.114) 1.941 5.786 ( 1.891 0.000 0.336) 1.920 5.841 ( 3.701 0.000 1.624) 4.041 5.940 ( 3.104 0.000 -2.302) 3.864 5.944 ( -0.365 0.000 2.834) 2.857 6.030 ( 1.198 0.000 -5.304) 5.438 6.122 ( 0.294 0.000 -1.598) 1.625 6.216 ( -1.270 0.000 1.036) 1.639 6.250 ( -5.380 0.000 -0.420) 5.396 6.389 ( -3.093 0.000 1.149) 3.299 6.394 ( -1.020 0.000 1.127) 1.520 6.496 ( 1.814 0.000 2.580) 3.155 6.587 ( -1.252 0.000 -2.273) 2.595 6.774 ( 5.780 0.000 10.012) 11.560 6.894 ( 6.606 0.000 0.996) 6.680 7.036 ( -4.075 0.000 4.364) 5.970 7.119 ( 2.106 0.000 0.364) 2.137 7.235 ( 0.219 0.000 -3.371) 3.379 7.270 ( -1.681 0.000 -1.102) 2.010 7.322 ( 0.280 0.000 4.191) 4.200 7.466 ( 2.589 0.000 -1.070) 2.801 7.684 ( 2.150 0.000 4.119) 4.646 7.769 ( -2.808 0.000 3.712) 4.654 7.854 ( -1.904 0.000 4.192) 4.604 7.955 ( 1.347 0.000 0.100) 1.351 8.232 ( 1.099 0.000 2.637) 2.857 8.333 ( 2.004 0.000 -6.950) 7.233 8.384 ( 5.400 0.000 -2.432) 5.923 8.532 ( 1.519 0.000 1.827) 2.376 8.591 ( 6.911 0.000 3.590) 7.788 8.760 ( 1.981 0.000 -1.368) 2.408 8.828 ( 2.556 0.000 -5.249) 5.838 8.925 ( 2.777 0.000 -2.991) 4.081 8.927 ( -1.429 0.000 3.162) 3.470 8.953 ( -0.278 0.000 -0.462) 0.539 9.023 ( 7.013 0.000 -2.718) 7.522 9.160 ( -5.507 0.000 1.105) 5.617 9.278 ( 0.800 0.000 1.237) 1.473 9.386 ( -1.410 0.000 -2.590) 2.949 9.436 ( -1.679 0.000 -0.643) 1.798 9.529 ( -2.231 0.000 0.092) 2.233 9.658 ( -7.611 0.000 0.982) 7.674 9.823 ( -1.050 0.000 2.804) 2.994 9.848 ( -1.271 0.000 -4.859) 5.023 9.937 ( 3.249 0.000 -3.990) 5.146 10.031 ( -1.141 0.000 2.592) 2.832 10.218 ( 0.909 0.000 -6.382) 6.447 10.395 ( 4.050 0.000 1.098) 4.196 10.433 ( -1.666 0.000 1.496) 2.240 10.656 ( 3.215 0.000 5.634) 6.487 10.785 ( -0.591 0.000 1.577) 1.684 10.878 ( 4.085 0.000 4.454) 6.044 10.978 ( 0.132 0.000 -2.170) 2.174 11.052 ( 0.882 0.000 6.632) 6.691 11.076 ( -2.469 0.000 -7.669) 8.057 11.271 ( -0.003 0.000 -7.486) 7.486 11.431 ( -3.357 0.000 -4.077) 5.282 11.967 ( -0.147 0.000 1.352) 1.360 12.097 ( 1.087 0.000 -0.430) 1.169 12.172 ( 1.089 0.000 4.108) 4.250 12.179 ( 6.436 0.000 -1.230) 6.553 12.314 ( -2.071 0.000 2.396) 3.167 12.328 ( 2.601 0.000 4.571) 5.259 12.370 ( -2.305 0.000 3.900) 4.530 12.396 ( -0.124 0.000 0.657) 0.669 12.503 ( -5.497 0.000 1.365) 5.664 12.604 ( 4.168 0.000 1.597) 4.463 12.817 ( -0.774 0.000 -3.154) 3.248 12.831 ( 0.675 0.000 2.230) 2.330 12.904 ( 1.122 0.000 -1.223) 1.660 13.043 ( -4.282 0.000 -1.907) 4.688 13.092 ( -8.580 0.000 -1.806) 8.768 13.192 ( 5.090 0.000 0.543) 5.119 13.230 ( -1.325 0.000 1.892) 2.310 13.259 ( 1.136 0.000 0.781) 1.378 13.407 ( -0.250 0.000 3.485) 3.494 13.450 ( -1.132 0.000 7.926) 8.007 13.531 ( 3.238 0.000 1.012) 3.393 13.644 ( -5.356 0.000 2.968) 6.124 13.711 ( 0.881 0.000 0.073) 0.884 13.778 ( 8.845 0.000 -10.634) 13.832 13.963 ( 7.522 0.000 5.043) 9.056 14.266 ( -3.129 0.000 -1.274) 3.378 14.301 ( 4.621 0.000 -0.991) 4.726 14.417 ( -9.520 0.000 2.767) 9.914 14.498 ( -0.533 0.000 -5.152) 5.179 14.532 ( -1.810 0.000 -5.794) 6.070 14.770 ( 7.347 0.000 1.384) 7.476 14.944 ( 1.548 0.000 0.662) 1.684 15.073 ( -0.880 0.000 -1.367) 1.625 15.274 ( 0.563 0.000 -0.338) 0.657 15.375 ( -2.208 0.000 0.450) 2.253 15.464 ( -4.158 0.000 -8.045) 9.056 15.518 ( 1.312 0.000 2.544) 2.863 15.577 ( 0.926 0.000 0.094) 0.931 16.045 ( -1.685 0.000 -2.117) 2.706 16.096 ( 11.240 0.000 -0.789) 11.267 16.099 ( 5.273 0.000 -2.799) 5.970 16.230 ( -5.014 0.000 -1.033) 5.119 16.267 ( 1.944 0.000 -1.309) 2.343 16.459 ( -5.023 0.000 6.089) 7.893 16.544 ( 2.787 0.000 -1.630) 3.228 16.720 ( -8.160 0.000 -7.157) 10.854 16.852 ( -7.285 0.000 0.305) 7.291 16.873 ( -8.377 0.000 -6.261) 10.458 19.194 ( 0.613 0.000 -3.410) 3.465 19.266 ( -11.664 0.000 -5.059) 12.714 19.572 ( 1.488 0.000 3.481) 3.786 19.738 ( 1.428 0.000 -3.002) 3.324 20.893 ( -0.934 0.000 2.923) 3.068 21.021 ( -2.945 0.000 -2.909) 4.140 21.271 ( 1.931 0.000 3.330) 3.850 21.303 ( 7.430 0.000 0.993) 7.496 25.040 ( -1.244 0.000 1.786) 2.177 25.168 ( 3.743 0.000 -4.746) 6.044 25.375 ( 0.379 0.000 5.136) 5.150 25.626 ( -4.234 0.000 2.701) 5.022 25.944 ( -1.779 0.000 -2.989) 3.478 25.989 ( 1.231 0.000 -4.451) 4.618 26.161 ( 0.782 0.000 3.347) 3.437 26.237 ( -1.170 0.000 -0.358) 1.224 26.483 ( 1.912 0.000 5.268) 5.605 26.705 ( -0.255 0.000 5.328) 5.334 27.002 ( 0.623 0.000 4.569) 4.611 27.145 ( -3.263 0.000 -1.474) 3.581 27.268 ( -12.077 0.000 0.980) 12.117 27.322 ( -3.537 0.000 -1.862) 3.997 27.489 ( -0.112 0.000 -3.166) 3.168 27.496 ( -2.377 0.000 -1.730) 2.940 27.564 ( -2.161 0.000 -3.513) 4.125 27.581 ( -0.858 0.000 -4.272) 4.357 27.793 ( 6.346 0.000 2.927) 6.989 28.126 ( 2.225 0.000 -2.919) 3.670 28.134 ( 2.583 0.000 -3.907) 4.684 28.181 ( 0.116 0.000 0.827) 0.835 28.247 ( 7.027 0.000 5.003) 8.627 28.379 ( -2.477 0.000 5.097) 5.667 28.481 ( 4.605 0.000 1.313) 4.789 28.637 ( -0.017 0.000 0.539) 0.539 28.827 ( 8.332 0.000 4.728) 9.580 29.082 ( 4.702 0.000 -0.993) 4.805 29.241 ( 3.905 0.000 -4.267) 5.784 29.297 ( 17.920 0.000 -3.309) 18.223 29.313 ( 6.543 0.000 -1.466) 6.705 29.436 ( -7.587 0.000 0.436) 7.600 29.703 ( -1.603 0.000 3.961) 4.273 29.909 ( -1.012 0.000 4.285) 4.403 30.115 ( -1.183 0.000 8.855) 8.934 30.358 ( -6.493 0.000 -5.229) 8.337 30.603 ( 1.847 0.000 -5.597) 5.894 30.835 ( -5.687 0.000 1.072) 5.787 31.063 ( -5.748 0.000 7.005) 9.061 31.064 ( -4.595 0.000 -6.656) 8.088 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -8.200 12.500 21.105) 25.863 1.530 ( 2.741 12.483 18.246) 22.277 1.660 ( 5.912 5.220 -8.460) 11.566 1.989 ( 4.747 -0.584 -6.392) 7.983 2.103 ( 8.566 -2.541 -3.874) 9.739 2.173 ( -3.451 -9.543 -2.521) 10.457 2.227 ( 7.140 -2.450 1.719) 7.742 2.316 ( -0.544 8.245 25.374) 26.685 2.409 ( 3.010 0.319 0.169) 3.032 2.504 ( 3.275 -1.560 5.269) 6.397 2.616 ( 0.183 1.500 3.643) 3.944 2.768 ( -5.118 2.587 0.668) 5.773 2.845 ( 0.858 -5.338 -0.295) 5.414 2.847 ( 2.319 1.436 7.435) 7.919 2.899 ( -0.213 3.407 3.329) 4.768 2.934 ( -4.758 1.794 0.184) 5.088 3.018 ( -5.015 0.189 -5.014) 7.094 3.076 ( 3.221 0.355 -10.298) 10.796 3.102 ( -2.733 -2.669 -0.672) 3.879 3.127 ( 2.063 -1.109 -2.561) 3.471 3.287 ( -2.599 -0.799 2.005) 3.379 3.312 ( 1.662 3.572 -0.345) 3.955 3.554 ( 4.620 2.125 -2.409) 5.627 3.612 ( -3.025 2.949 -7.599) 8.694 3.717 ( 3.823 4.778 4.250) 7.450 3.820 ( -0.979 3.433 -6.304) 7.244 3.869 ( 3.545 0.565 4.317) 5.614 3.981 ( -1.340 1.992 -1.981) 3.112 4.067 ( -1.043 3.843 3.092) 5.042 4.081 ( -1.929 1.840 2.469) 3.634 4.151 ( -4.051 -1.449 -4.785) 6.435 4.182 ( -2.630 -2.406 -3.103) 4.725 4.305 ( 0.702 -0.604 5.857) 5.930 4.350 ( -0.476 -2.370 1.721) 2.967 4.435 ( 0.864 -4.362 -1.652) 4.744 4.505 ( -0.991 -2.534 -5.432) 6.076 4.555 ( -4.055 -3.791 2.827) 6.230 4.642 ( 8.324 -5.716 -2.739) 10.462 4.770 ( -0.330 1.485 3.163) 3.510 4.817 ( 0.486 -1.157 2.009) 2.369 4.873 ( 1.493 0.465 0.577) 1.666 4.943 ( -1.821 -4.246 -4.125) 6.194 5.051 ( 2.038 1.611 0.913) 2.754 5.088 ( 0.517 5.954 0.047) 5.977 5.124 ( -2.802 0.959 0.951) 3.111 5.160 ( -1.479 2.872 -8.026) 8.651 5.318 ( -2.367 3.187 -0.376) 3.987 5.350 ( 0.575 1.170 -4.345) 4.536 5.410 ( -2.482 2.388 -1.918) 3.942 5.464 ( 1.054 1.620 -5.592) 5.917 5.643 ( -2.114 -2.331 1.869) 3.660 5.664 ( -0.775 -2.517 -0.509) 2.683 5.773 ( 0.017 -5.496 3.876) 6.725 5.858 ( -0.665 -4.872 -2.779) 5.648 5.890 ( 3.302 -3.963 0.044) 5.158 5.931 ( -1.605 -2.050 -1.715) 3.118 5.989 ( -0.219 -2.820 -2.579) 3.827 6.004 ( 1.518 -1.899 -2.879) 3.768 6.221 ( 0.426 -0.690 2.188) 2.333 6.260 ( 0.376 -0.461 -2.451) 2.522 6.360 ( -0.639 0.243 1.549) 1.693 6.391 ( -0.668 -0.410 -0.547) 0.956 6.565 ( -0.213 1.813 2.226) 2.879 6.590 ( 1.445 1.604 -0.189) 2.167 6.904 ( -4.039 -0.365 5.646) 6.951 6.971 ( 3.980 -0.503 -0.943) 4.121 7.036 ( 0.434 -3.351 8.240) 8.906 7.143 ( 1.374 -1.686 -0.004) 2.174 7.235 ( -1.243 5.903 -0.890) 6.097 7.285 ( 0.034 6.115 -4.260) 7.452 7.431 ( 3.385 1.095 1.621) 3.910 7.466 ( -2.127 0.713 -1.730) 2.833 7.759 ( 0.598 -0.045 3.255) 3.310 7.770 ( 0.889 -0.048 1.527) 1.768 7.885 ( -0.303 0.934 2.099) 2.318 7.910 ( -1.897 -0.032 -1.615) 2.491 8.306 ( 0.360 0.060 -1.974) 2.008 8.335 ( 4.916 1.226 -3.900) 6.394 8.517 ( -0.530 4.096 1.432) 4.371 8.548 ( 1.318 6.609 -1.351) 6.873 8.665 ( -2.934 2.824 3.486) 5.361 8.737 ( 2.348 -2.065 -3.357) 4.588 8.810 ( -9.179 -0.872 1.367) 9.321 8.858 ( 5.614 0.059 -2.800) 6.273 8.923 ( -4.803 -4.330 4.346) 7.791 8.996 ( 5.845 -1.411 -2.025) 6.345 9.076 ( -2.577 -1.428 -0.260) 2.957 9.118 ( 4.695 0.807 -3.540) 5.935 9.282 ( 0.389 -2.756 0.968) 2.946 9.297 ( -3.428 -3.783 -0.691) 5.151 9.446 ( 0.337 2.001 4.306) 4.761 9.533 ( 0.809 1.992 -2.894) 3.605 9.577 ( -1.996 -0.466 4.632) 5.066 9.706 ( 1.331 -6.160 -7.281) 9.630 9.845 ( -2.115 0.938 6.546) 6.943 9.979 ( 3.626 1.019 -6.741) 7.722 10.080 ( 0.476 1.607 2.671) 3.153 10.155 ( -0.519 -0.936 -4.327) 4.458 10.397 ( -3.334 -1.683 2.788) 4.661 10.413 ( 0.281 -1.358 1.460) 2.013 10.707 ( 2.238 -6.539 4.707) 8.362 10.769 ( 0.715 -5.579 -0.076) 5.625 10.889 ( -1.814 -4.167 -0.450) 4.567 10.908 ( 1.623 -4.746 -1.439) 5.219 11.053 ( 0.828 4.333 3.911) 5.896 11.183 ( 3.302 1.523 2.154) 4.226 11.194 ( -0.528 1.403 -4.418) 4.665 11.304 ( -4.271 -1.164 -5.397) 6.980 11.979 ( -2.110 -2.723 1.781) 3.878 11.987 ( -0.041 -2.428 1.424) 2.815 12.168 ( -2.788 -3.726 1.437) 4.870 12.210 ( 3.761 -4.688 -2.537) 6.524 12.373 ( 4.510 3.643 3.325) 6.684 12.410 ( -4.046 3.368 -0.568) 5.295 12.461 ( -1.704 9.306 5.079) 10.738 12.492 ( 0.814 1.417 4.485) 4.774 12.529 ( -0.598 9.813 -3.128) 10.317 12.612 ( 2.520 -1.262 -3.147) 4.225 12.738 ( -0.340 -1.874 0.207) 1.916 12.810 ( -0.886 -2.820 -3.305) 4.434 12.885 ( 1.272 -4.648 0.121) 4.820 12.922 ( 0.275 -1.760 -3.121) 3.594 13.096 ( -0.197 3.527 1.509) 3.842 13.140 ( -0.513 2.279 -2.263) 3.252 13.250 ( -6.577 -1.439 5.079) 8.434 13.312 ( 1.890 2.019 -1.299) 3.055 13.426 ( -1.632 -2.776 8.835) 9.404 13.533 ( 1.239 -3.019 -0.872) 3.378 13.602 ( -4.065 -0.013 4.578) 6.122 13.656 ( 3.244 0.364 -2.039) 3.849 13.687 ( 1.618 0.936 -0.205) 1.881 13.799 ( 6.843 -1.827 -9.718) 12.025 14.185 ( 3.432 2.100 10.645) 11.380 14.285 ( 1.234 2.781 1.864) 3.569 14.317 ( -3.390 9.134 -1.268) 9.825 14.382 ( 1.164 2.433 -5.956) 6.539 14.444 ( -1.736 3.441 -2.413) 4.547 14.502 ( -1.310 3.647 -5.551) 6.770 14.867 ( -3.687 -3.006 1.960) 5.145 14.893 ( 2.304 -1.941 -1.585) 3.404 15.127 ( 4.152 2.451 3.712) 6.085 15.229 ( -5.405 1.156 -5.933) 8.108 15.370 ( 1.683 2.874 0.181) 3.335 15.384 ( -1.834 3.075 -1.797) 4.006 15.617 ( 0.606 5.587 1.854) 5.918 15.642 ( -0.667 4.786 -0.177) 4.835 15.887 ( -6.431 -7.812 3.822) 10.817 15.984 ( 0.186 -7.766 -5.410) 9.466 16.175 ( -2.451 4.518 1.468) 5.345 16.223 ( -1.305 -0.250 -3.281) 3.540 16.284 ( -0.869 -4.716 7.290) 8.726 16.363 ( 2.547 -4.728 -0.766) 5.424 16.585 ( 1.754 4.915 -1.727) 5.497 16.609 ( 0.429 2.029 -3.728) 4.267 16.779 ( -1.196 -0.053 0.177) 1.210 16.785 ( 0.286 0.396 -0.323) 0.586 19.157 ( -3.085 2.903 1.787) 4.597 19.208 ( 2.212 2.989 -3.534) 5.130 19.571 ( 0.030 -5.876 3.854) 7.027 19.646 ( 0.133 -6.494 -3.604) 7.428 20.962 ( 0.200 5.395 2.518) 5.957 21.008 ( -0.632 4.283 -2.070) 4.799 21.283 ( -0.576 -3.253 2.800) 4.331 21.333 ( 1.258 -5.298 -1.866) 5.756 25.054 ( -0.556 0.540 3.055) 3.152 25.120 ( -0.538 -1.445 -3.144) 3.501 25.429 ( 2.244 -2.704 3.987) 5.314 25.470 ( -3.509 -3.452 0.192) 4.926 25.949 ( -0.233 3.847 -0.331) 3.869 25.979 ( -0.669 3.074 -3.011) 4.355 26.214 ( -0.173 1.087 1.468) 1.835 26.230 ( -0.144 0.297 0.140) 0.359 26.689 ( 9.339 -0.890 4.193) 10.275 26.726 ( -0.969 -1.115 0.734) 1.650 27.042 ( -0.713 -0.064 -0.633) 0.956 27.063 ( -2.146 -0.665 -2.551) 3.399 27.153 ( -2.795 2.827 6.373) 7.511 27.268 ( 0.132 2.299 -4.481) 5.038 27.434 ( -2.122 -4.150 1.993) 5.069 27.469 ( 1.129 -1.616 -1.827) 2.688 27.537 ( 1.056 4.869 1.566) 5.223 27.603 ( -1.866 6.636 -4.982) 8.505 27.914 ( 3.992 -2.299 4.074) 6.150 28.010 ( -4.170 -3.039 -5.453) 7.507 28.178 ( -2.610 4.169 0.216) 4.924 28.190 ( 1.474 3.897 -0.979) 4.280 28.392 ( -2.268 1.340 2.124) 3.384 28.433 ( 4.174 0.528 -2.012) 4.664 28.518 ( 2.180 -4.936 2.197) 5.826 28.557 ( -0.467 -4.153 -1.578) 4.467 28.932 ( -2.303 -7.411 4.058) 8.758 28.969 ( 0.943 -7.707 0.433) 7.777 29.246 ( -8.517 3.056 4.558) 10.132 29.328 ( 4.567 4.381 -3.757) 7.360 29.435 ( -1.973 -1.560 -1.216) 2.793 29.449 ( 5.486 2.011 -2.211) 6.248 29.869 ( -6.899 2.270 2.969) 7.847 29.911 ( 10.822 1.538 -1.201) 10.997 30.158 ( -4.111 1.009 7.025) 8.201 30.256 ( 1.970 -1.599 -2.242) 3.386 30.682 ( 4.988 1.596 -0.276) 5.244 30.709 ( -5.239 1.993 -2.573) 6.168 30.962 ( -3.628 -4.734 1.365) 6.119 31.012 ( 7.207 -5.230 -3.571) 9.593 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.604 11.888 12.655) 17.373 1.622 ( 6.470 11.466 -4.807) 14.015 1.694 ( -3.031 10.206 6.172) 12.306 1.768 ( -7.943 6.246 -25.849) 27.754 2.014 ( -4.848 -4.453 -8.210) 10.523 2.194 ( 2.339 -6.038 -3.987) 7.604 2.248 ( -3.152 -9.517 -9.566) 13.857 2.291 ( -5.678 0.445 -0.788) 5.750 2.463 ( -5.480 -1.362 -0.204) 5.651 2.588 ( 3.481 0.004 0.900) 3.596 2.683 ( 1.918 -6.755 -3.264) 7.744 2.775 ( -5.650 1.906 -0.962) 6.040 2.830 ( 2.923 1.750 3.589) 4.948 2.876 ( -0.913 2.289 -1.202) 2.742 2.946 ( 1.897 1.479 10.333) 10.610 2.960 ( 2.259 1.776 1.497) 3.240 2.985 ( 2.812 1.978 -4.529) 5.685 3.050 ( 5.132 -2.447 -1.997) 6.026 3.109 ( 8.090 4.238 8.058) 12.180 3.209 ( 3.744 3.589 0.129) 5.188 3.255 ( -1.525 -6.249 1.824) 6.686 3.368 ( 3.131 3.303 0.375) 4.566 3.480 ( -0.201 2.008 -7.352) 7.624 3.646 ( 2.634 2.285 2.188) 4.116 3.701 ( -2.050 4.193 -5.562) 7.261 3.780 ( -0.364 0.338 3.717) 3.750 3.891 ( -1.447 1.517 -7.647) 7.929 3.995 ( 2.821 3.721 2.594) 5.342 4.072 ( -1.635 6.390 0.244) 6.600 4.094 ( -0.749 3.526 0.999) 3.740 4.154 ( 0.330 -3.040 6.067) 6.794 4.188 ( 5.426 -0.480 3.719) 6.596 4.309 ( -1.196 -2.267 -0.000) 2.563 4.393 ( 1.884 -0.774 3.379) 3.945 4.450 ( 2.972 -5.114 -4.094) 7.194 4.478 ( -2.429 -0.967 3.358) 4.255 4.520 ( 0.902 -3.148 0.650) 3.338 4.654 ( -0.759 -8.419 -5.344) 10.000 4.740 ( -5.626 -1.686 -2.238) 6.285 4.834 ( 1.747 1.885 1.888) 3.189 4.896 ( 1.286 -3.239 -0.335) 3.501 4.948 ( 2.169 0.703 -3.113) 3.859 5.037 ( -1.724 2.878 -1.049) 3.515 5.069 ( -1.836 -0.273 -1.173) 2.195 5.120 ( 3.160 6.053 7.357) 10.038 5.166 ( -1.462 2.856 -0.028) 3.208 5.254 ( -1.198 -0.587 1.641) 2.115 5.338 ( -1.958 1.213 1.334) 2.662 5.379 ( -1.471 3.251 2.547) 4.384 5.472 ( 3.298 1.716 -1.294) 3.937 5.607 ( -3.567 -1.929 2.070) 4.553 5.669 ( -0.828 -3.979 1.955) 4.510 5.785 ( -3.578 -6.762 3.750) 8.520 5.807 ( -1.121 -4.601 -3.664) 5.987 5.899 ( 1.552 -0.351 -2.428) 2.903 5.922 ( -2.562 0.089 -0.953) 2.735 5.976 ( 4.334 -3.821 0.596) 5.808 6.031 ( 1.288 -3.599 -0.307) 3.835 6.223 ( -1.544 -1.684 -1.860) 2.946 6.259 ( 1.630 -0.281 1.463) 2.208 6.353 ( -1.329 -0.835 1.373) 2.085 6.400 ( 0.935 -0.896 0.790) 1.517 6.563 ( -1.018 1.043 -0.194) 1.470 6.597 ( 0.347 1.805 -1.551) 2.405 6.843 ( -7.187 -0.966 2.157) 7.565 6.968 ( -3.923 2.421 -2.723) 5.354 7.060 ( 0.274 -3.984 1.082) 4.137 7.134 ( -1.378 1.267 -2.534) 3.150 7.252 ( 0.991 5.412 -0.913) 5.577 7.269 ( 1.996 4.889 1.968) 5.636 7.387 ( -2.344 -0.160 -3.127) 3.911 7.516 ( 3.557 1.094 0.067) 3.722 7.749 ( -0.666 -0.423 -1.941) 2.096 7.826 ( 0.545 0.777 -2.818) 2.974 7.845 ( -1.943 -0.610 4.950) 5.352 7.917 ( 0.239 -0.890 1.515) 1.773 8.284 ( -0.109 -1.617 -3.848) 4.175 8.345 ( 1.830 1.448 -3.155) 3.924 8.433 ( -6.130 5.754 -0.137) 8.409 8.559 ( -6.440 -0.552 -0.678) 6.499 8.612 ( -9.196 3.387 1.424) 9.903 8.697 ( 1.113 2.697 3.266) 4.380 8.756 ( 1.764 -0.352 -0.768) 1.955 8.857 ( -5.843 -3.837 2.056) 7.286 8.906 ( -0.896 1.941 2.780) 3.507 9.036 ( 1.069 2.197 -4.115) 4.786 9.047 ( 1.875 -2.031 -3.162) 4.199 9.142 ( 1.264 1.902 0.979) 2.484 9.248 ( -1.896 -4.445 1.420) 5.037 9.305 ( -0.865 -2.815 2.598) 3.927 9.458 ( 3.410 -0.323 -2.236) 4.091 9.601 ( 5.045 0.600 0.499) 5.105 9.606 ( -1.195 -1.998 4.040) 4.663 9.692 ( 4.431 -4.705 -5.076) 8.218 9.865 ( -2.692 0.744 4.831) 5.581 9.987 ( 5.816 1.418 -6.810) 9.068 10.103 ( -0.069 0.975 0.165) 0.991 10.116 ( -0.809 0.295 0.427) 0.962 10.343 ( -5.326 -2.588 1.996) 6.249 10.421 ( -1.173 -0.380 1.772) 2.159 10.708 ( -0.350 -2.096 -3.044) 3.713 10.801 ( 1.724 -9.036 -1.916) 9.397 10.837 ( -4.255 -4.195 1.868) 6.261 10.927 ( 1.604 -1.288 -0.659) 2.160 11.036 ( -4.303 0.051 -0.845) 4.386 11.167 ( -2.649 -0.167 -3.600) 4.473 11.172 ( 1.558 4.206 1.416) 4.703 11.339 ( 5.045 0.793 5.275) 7.343 11.962 ( -0.509 -1.306 1.332) 1.934 12.048 ( 3.010 -3.424 2.045) 4.997 12.126 ( -2.770 -1.758 0.648) 3.344 12.238 ( 1.434 -2.865 -2.502) 4.065 12.314 ( -2.581 1.003 -1.940) 3.382 12.432 ( -4.883 6.839 0.217) 8.406 12.468 ( -0.748 7.173 1.107) 7.296 12.511 ( 3.524 4.955 -0.847) 6.139 12.538 ( -0.045 -2.048 4.448) 4.898 12.614 ( 4.027 0.528 -6.127) 7.351 12.742 ( -0.295 -2.326 -0.636) 2.429 12.814 ( 2.152 -2.043 1.012) 3.135 12.874 ( 0.149 -2.349 -0.649) 2.442 12.987 ( 2.555 -3.198 0.201) 4.098 13.037 ( -1.110 0.338 2.473) 2.731 13.184 ( -4.868 -0.635 5.270) 7.202 13.198 ( 1.961 0.154 -0.295) 1.989 13.345 ( 0.111 5.637 1.985) 5.977 13.435 ( -7.278 -2.856 -1.733) 8.008 13.478 ( -3.611 -4.245 4.802) 7.357 13.552 ( 0.058 -2.930 -0.629) 2.997 13.624 ( -0.427 1.144 -0.441) 1.299 13.748 ( 3.336 1.517 -5.324) 6.463 13.786 ( 2.720 2.309 -6.966) 7.827 14.170 ( -8.075 5.775 -7.607) 12.507 14.272 ( -1.976 2.978 3.515) 5.013 14.338 ( 2.596 3.642 -1.845) 4.839 14.385 ( 0.699 -1.481 -0.375) 1.680 14.486 ( 5.182 5.787 4.959) 9.216 14.517 ( 7.490 4.700 0.054) 8.843 14.795 ( -5.890 1.078 1.952) 6.298 14.894 ( -1.656 -4.267 0.014) 4.577 15.075 ( -4.064 0.571 -2.517) 4.814 15.257 ( 2.607 2.505 4.652) 5.892 15.345 ( -0.238 1.171 -0.497) 1.294 15.418 ( 2.330 2.932 1.089) 3.901 15.593 ( -2.676 3.833 -0.008) 4.675 15.639 ( -0.447 6.815 0.525) 6.849 15.847 ( -6.082 -6.264 7.203) 11.318 15.958 ( 1.064 -4.759 -0.010) 4.876 16.112 ( -7.644 4.054 4.392) 9.703 16.218 ( 2.486 -0.261 -0.638) 2.579 16.302 ( -1.363 -3.899 0.242) 4.137 16.453 ( 6.527 -5.124 0.431) 8.310 16.588 ( 1.781 1.889 -2.800) 3.819 16.665 ( 7.100 2.162 -1.961) 7.677 16.805 ( 2.963 -1.114 0.479) 3.202 16.835 ( 5.077 -1.749 1.140) 5.489 19.161 ( 0.379 2.331 2.364) 3.342 19.249 ( 5.014 2.323 -0.564) 5.555 19.595 ( -1.136 -6.194 1.132) 6.398 19.606 ( -0.913 -4.981 -1.446) 5.266 20.973 ( 0.218 3.185 -0.424) 3.221 21.024 ( 2.339 5.792 0.956) 6.320 21.235 ( -4.714 -4.373 0.209) 6.433 21.330 ( -0.975 -2.027 -0.971) 2.450 25.076 ( -0.975 0.083 2.998) 3.154 25.085 ( -0.190 -0.018 -1.594) 1.605 25.427 ( -0.297 -1.485 -1.077) 1.858 25.543 ( 5.173 -5.641 2.649) 8.099 25.939 ( -0.725 3.211 0.455) 3.323 25.976 ( 1.026 3.621 0.942) 3.880 26.222 ( -0.544 1.173 -0.457) 1.371 26.226 ( -0.033 0.475 0.956) 1.068 26.636 ( -3.037 1.193 -7.133) 7.844 26.791 ( 2.750 -2.976 -5.293) 6.666 27.075 ( 2.938 0.623 -0.286) 3.017 27.093 ( 4.162 -0.687 2.716) 5.017 27.221 ( 2.753 0.169 7.478) 7.970 27.279 ( 5.645 0.742 -1.585) 5.911 27.411 ( -2.155 -2.156 3.397) 4.564 27.483 ( 1.367 -2.706 -0.890) 3.160 27.517 ( -1.400 5.214 -1.552) 5.618 27.639 ( 5.026 8.161 2.757) 9.974 27.866 ( -6.039 -2.026 -4.664) 7.894 28.018 ( 2.400 -2.026 4.834) 5.764 28.130 ( -3.152 5.087 1.695) 6.220 28.220 ( 1.090 3.377 -0.043) 3.548 28.330 ( -5.159 1.754 -2.002) 5.805 28.429 ( -0.749 -2.107 -1.337) 2.605 28.527 ( -0.170 -1.989 -3.399) 3.941 28.568 ( 1.243 -5.181 0.730) 5.377 28.838 ( -9.205 -6.134 0.628) 11.079 28.921 ( -7.392 -7.693 1.986) 10.852 29.153 ( -8.857 3.162 3.192) 9.932 29.299 ( -10.355 3.515 3.385) 11.447 29.369 ( -2.339 1.275 -3.313) 4.251 29.475 ( 4.440 1.024 -4.132) 6.151 29.809 ( 2.073 3.762 -1.520) 4.556 29.990 ( -0.057 0.871 -2.697) 2.835 30.208 ( 1.240 -1.048 7.419) 7.595 30.280 ( 3.121 -0.673 -4.976) 5.912 30.517 ( -9.559 -0.435 1.212) 9.645 30.862 ( 1.611 -7.795 1.306) 8.066 30.906 ( 10.008 3.066 -1.390) 10.559 31.196 ( 13.266 -2.803 -5.722) 14.716 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.128 8.225 -20.477) 22.068 1.554 ( 3.879 5.775 1.501) 7.117 1.724 ( 12.505 6.037 -9.240) 16.679 1.754 ( -6.677 11.600 16.296) 21.088 1.892 ( 6.256 -0.149 -13.082) 14.502 2.036 ( -3.533 4.794 -3.762) 7.043 2.133 ( -6.696 -3.356 -0.707) 7.523 2.246 ( -5.280 -4.263 6.271) 9.240 2.399 ( -0.719 -7.249 0.817) 7.330 2.594 ( -2.240 -1.399 -2.403) 3.570 2.617 ( -2.747 -1.508 -2.452) 3.979 2.767 ( -2.034 2.146 -1.039) 3.134 2.796 ( -0.457 0.366 0.976) 1.138 2.843 ( -2.133 -8.021 2.931) 8.802 2.986 ( 7.359 1.636 -4.876) 8.978 3.049 ( 2.143 1.658 1.459) 3.077 3.100 ( 5.814 -2.011 -4.232) 7.467 3.127 ( 9.026 6.603 -0.035) 11.183 3.203 ( 0.989 0.184 -0.492) 1.119 3.320 ( 5.063 -4.107 -0.176) 6.522 3.355 ( 3.939 3.852 -0.824) 5.571 3.418 ( 6.228 -0.454 -0.277) 6.251 3.472 ( -0.130 6.503 3.723) 7.494 3.621 ( 3.058 3.845 -3.104) 5.811 3.714 ( 2.272 -1.179 -1.869) 3.170 3.795 ( -3.025 -1.898 5.004) 6.148 3.845 ( -0.614 2.789 2.049) 3.515 4.022 ( 0.431 4.244 -2.979) 5.203 4.069 ( -0.902 9.624 -3.748) 10.367 4.093 ( 1.725 2.998 3.373) 4.832 4.173 ( -1.726 -3.431 -1.438) 4.101 4.228 ( -1.362 0.377 3.251) 3.545 4.333 ( -3.438 -3.368 -1.181) 4.956 4.425 ( 2.288 -0.407 -1.841) 2.965 4.446 ( 0.619 0.639 0.428) 0.987 4.514 ( 3.626 -4.890 -1.609) 6.296 4.544 ( 1.050 2.259 -1.822) 3.087 4.582 ( -4.015 -3.770 -1.591) 5.733 4.645 ( -2.089 -2.682 -1.483) 3.709 4.836 ( 0.505 0.882 -1.191) 1.566 4.925 ( -2.241 -4.515 3.093) 5.914 4.969 ( 0.609 -3.485 1.516) 3.849 4.994 ( -1.753 2.518 2.843) 4.183 5.067 ( -6.217 0.810 1.471) 6.440 5.081 ( 3.034 0.383 -3.957) 5.001 5.228 ( 0.079 4.000 -0.756) 4.072 5.283 ( 0.674 0.979 3.904) 4.081 5.321 ( -1.160 0.696 3.790) 4.024 5.405 ( -2.166 2.510 6.275) 7.097 5.484 ( -1.123 -1.573 -0.748) 2.072 5.560 ( -3.956 -0.835 3.044) 5.061 5.662 ( -2.193 -3.803 1.522) 4.647 5.734 ( -3.278 -1.864 -1.041) 3.912 5.775 ( -1.660 -4.186 1.836) 4.863 5.882 ( -1.394 -0.936 -0.873) 1.892 5.923 ( 2.735 -0.172 -0.741) 2.839 5.991 ( -1.430 -2.091 -1.207) 2.806 6.077 ( 1.811 -1.104 0.761) 2.253 6.165 ( -1.893 -5.224 -0.581) 5.587 6.313 ( 1.791 -5.081 1.042) 5.488 6.372 ( 0.811 0.758 3.600) 3.767 6.429 ( 0.871 -0.532 2.161) 2.390 6.515 ( -2.795 1.740 -1.530) 3.630 6.606 ( 1.148 -1.222 -0.361) 1.715 6.720 ( -5.627 1.887 -1.638) 6.156 6.860 ( -4.263 5.232 -2.648) 7.250 7.045 ( -2.933 -3.769 0.333) 4.788 7.105 ( 0.866 -0.014 -2.069) 2.243 7.276 ( 1.788 2.864 -1.065) 3.540 7.304 ( 0.389 2.269 2.032) 3.071 7.348 ( 1.702 1.548 -1.852) 2.953 7.525 ( -0.907 5.542 -4.047) 6.922 7.717 ( 0.701 -2.458 -3.958) 4.711 7.790 ( -1.986 -0.012 0.531) 2.056 7.861 ( -0.673 -4.792 0.056) 4.840 7.932 ( 0.528 -1.097 -0.554) 1.338 8.241 ( -1.390 -2.335 -0.988) 2.891 8.291 ( -6.894 1.548 -2.380) 7.455 8.363 ( -9.851 4.366 -0.074) 10.775 8.382 ( 1.723 5.108 0.017) 5.391 8.518 ( -5.091 1.671 0.794) 5.417 8.705 ( -8.042 -0.416 0.545) 8.071 8.765 ( 1.130 4.140 3.930) 5.820 8.813 ( 0.112 -3.421 0.943) 3.551 8.903 ( 0.486 -1.342 -0.081) 1.430 8.999 ( -3.129 5.571 1.784) 6.634 9.079 ( 4.398 -2.166 -1.874) 5.248 9.197 ( 1.591 2.507 3.317) 4.452 9.277 ( 3.962 -1.962 -0.204) 4.426 9.311 ( -2.551 -3.458 5.511) 6.989 9.500 ( 2.884 -0.710 -3.661) 4.715 9.611 ( 0.417 -2.410 0.540) 2.505 9.657 ( 0.517 -1.410 0.234) 1.520 9.727 ( 4.234 -6.442 -3.803) 8.596 9.877 ( -0.497 2.298 5.042) 5.563 10.017 ( 2.267 4.108 -3.900) 6.101 10.116 ( 0.538 1.145 0.893) 1.548 10.127 ( 2.838 1.222 0.082) 3.091 10.285 ( -2.087 -2.033 1.409) 3.236 10.427 ( -0.086 -1.341 1.925) 2.348 10.675 ( 0.026 -4.328 -2.929) 5.226 10.744 ( -5.255 -5.460 -1.297) 7.688 10.805 ( 0.137 -2.399 -1.927) 3.080 10.939 ( 0.276 0.414 1.978) 2.040 11.022 ( 1.595 -3.269 0.646) 3.694 11.099 ( -0.390 -1.415 0.984) 1.767 11.245 ( 0.912 4.782 3.756) 6.148 11.446 ( 1.545 1.598 3.475) 4.125 11.975 ( 0.100 -0.141 0.939) 0.955 12.071 ( -2.044 -2.634 0.887) 3.450 12.110 ( -0.390 3.129 -1.081) 3.334 12.191 ( -0.350 0.462 -3.748) 3.793 12.296 ( 1.542 -4.448 -5.337) 7.117 12.358 ( -1.944 2.540 -1.261) 3.438 12.445 ( -1.552 1.433 -0.994) 2.334 12.483 ( -1.222 2.173 -3.083) 3.965 12.595 ( 0.880 1.440 -1.855) 2.507 12.630 ( 2.913 -0.741 -4.886) 5.736 12.744 ( 0.941 -3.675 0.901) 3.899 12.804 ( -1.812 -2.429 -1.786) 3.518 12.883 ( -0.135 -3.602 2.678) 4.490 13.024 ( 0.938 1.595 2.488) 3.101 13.080 ( -2.253 -1.430 7.195) 7.674 13.120 ( -6.798 -3.431 0.307) 7.621 13.184 ( -2.754 -1.253 -1.667) 3.454 13.327 ( -0.596 -0.452 1.554) 1.725 13.374 ( 0.280 -0.474 5.118) 5.147 13.542 ( 5.244 3.025 2.126) 6.416 13.565 ( 1.963 -2.395 -0.944) 3.237 13.639 ( 1.905 1.195 -0.970) 2.449 13.715 ( 2.110 0.306 -6.448) 6.791 13.785 ( 3.745 2.428 -3.708) 5.802 13.980 ( -4.959 6.479 -6.110) 10.193 14.205 ( -7.209 5.071 3.491) 9.480 14.313 ( -5.367 3.269 -2.069) 6.616 14.395 ( 1.248 -5.971 -1.332) 6.243 14.557 ( 2.059 6.646 -1.823) 7.192 14.701 ( 6.092 7.151 3.195) 9.923 14.761 ( 1.096 0.980 3.487) 3.785 14.841 ( -2.764 -2.870 -1.300) 4.191 15.052 ( 0.784 -0.195 2.135) 2.282 15.291 ( -0.228 3.539 1.831) 3.991 15.369 ( 1.186 -2.926 0.750) 3.245 15.465 ( 0.745 0.785 1.584) 1.918 15.544 ( -2.848 3.710 -0.145) 4.679 15.652 ( -0.377 6.917 2.405) 7.333 15.788 ( -5.399 -4.988 1.933) 7.601 16.004 ( -0.861 0.205 3.663) 3.768 16.045 ( -4.099 3.520 6.012) 8.083 16.194 ( -2.161 -1.928 -1.597) 3.307 16.320 ( 2.619 1.078 -0.578) 2.891 16.534 ( -0.852 3.042 0.700) 3.236 16.588 ( 6.224 -7.539 -6.737) 11.873 16.767 ( 5.437 -1.849 0.132) 5.744 16.878 ( 3.557 -2.883 2.227) 5.092 16.959 ( 5.822 -2.982 2.510) 7.006 19.196 ( 0.867 2.083 1.998) 3.013 19.347 ( 3.179 -0.462 2.643) 4.160 19.556 ( 0.399 -3.388 -3.407) 4.821 19.593 ( -3.345 -6.016 3.442) 7.696 20.973 ( 1.264 3.239 -2.195) 4.112 21.072 ( 0.729 3.105 2.958) 4.350 21.185 ( -0.541 -1.540 0.550) 1.723 21.278 ( -3.465 1.116 -0.891) 3.748 25.070 ( 0.048 -0.134 -0.908) 0.919 25.081 ( -1.412 -0.090 1.301) 1.922 25.420 ( 1.346 0.165 -2.471) 2.819 25.620 ( 2.010 -6.495 -1.332) 6.928 25.947 ( 0.064 2.622 2.214) 3.432 26.001 ( 0.119 3.000 1.652) 3.427 26.194 ( -1.213 1.779 -1.663) 2.721 26.230 ( -1.120 0.225 0.583) 1.283 26.568 ( 3.045 2.153 -4.520) 5.860 26.757 ( 1.858 -2.513 -7.146) 7.800 27.067 ( 0.443 1.187 -4.174) 4.362 27.189 ( 3.354 -0.353 1.606) 3.735 27.319 ( 0.511 -5.108 1.352) 5.309 27.397 ( 3.298 -4.326 1.419) 5.622 27.462 ( 0.765 -0.008 5.269) 5.324 27.514 ( 2.083 1.095 1.867) 3.004 27.531 ( 8.810 1.475 0.579) 8.951 27.722 ( -4.859 -0.534 -3.630) 6.089 27.785 ( 4.225 14.502 7.833) 17.015 28.047 ( -4.453 1.109 0.441) 4.610 28.114 ( -1.896 5.324 2.686) 6.258 28.157 ( -2.971 -1.438 -2.636) 4.224 28.273 ( 1.374 1.705 -1.726) 2.787 28.398 ( -1.677 -2.141 -1.669) 3.191 28.498 ( 1.498 1.487 -3.306) 3.922 28.567 ( -1.577 -5.737 -0.125) 5.951 28.683 ( -7.340 -4.169 -0.231) 8.445 28.805 ( -8.861 -8.410 4.347) 12.967 28.977 ( -11.663 3.918 0.780) 12.328 29.163 ( -9.452 4.701 6.233) 12.259 29.283 ( -3.423 0.934 -3.420) 4.928 29.540 ( 5.383 -2.603 -2.282) 6.400 29.830 ( 2.821 2.904 -6.132) 7.348 29.941 ( -1.773 2.335 -1.523) 3.304 30.197 ( -1.969 0.324 -3.998) 4.468 30.354 ( -0.217 3.701 7.073) 7.986 30.427 ( -2.998 -8.290 7.257) 11.418 30.916 ( 3.163 -11.765 2.091) 12.361 31.092 ( 12.195 5.446 -5.014) 14.266 31.319 ( 8.683 0.178 -7.381) 11.398 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 24.131 4.796 10.348) 26.691 1.691 ( 7.039 7.896 4.064) 11.332 1.801 ( 1.739 0.898 9.428) 9.629 1.879 ( 8.929 3.580 -0.116) 9.621 1.975 ( 9.272 3.476 -2.178) 10.139 2.073 ( 3.380 2.313 5.167) 6.593 2.115 ( 5.062 3.097 1.274) 6.070 2.206 ( -7.874 2.118 9.615) 12.607 2.401 ( -1.076 -7.836 4.960) 9.336 2.559 ( -1.002 -0.655 1.336) 1.794 2.599 ( 1.724 0.696 0.236) 1.874 2.728 ( -1.177 -1.533 1.251) 2.302 2.751 ( -3.035 2.009 -1.899) 4.106 2.884 ( -1.843 -6.179 3.121) 7.164 2.966 ( -2.730 2.521 -2.930) 4.732 3.124 ( 5.246 2.309 0.859) 5.796 3.147 ( 0.902 -8.553 -2.821) 9.051 3.211 ( 1.150 2.390 0.977) 2.827 3.269 ( 1.040 1.412 -1.035) 2.036 3.312 ( 5.690 -1.551 -5.883) 8.330 3.442 ( 0.924 6.472 -3.736) 7.530 3.483 ( 8.263 3.667 2.511) 9.383 3.540 ( 4.174 -1.535 1.866) 4.823 3.671 ( 0.613 2.278 0.423) 2.397 3.763 ( 0.232 -2.174 1.319) 2.554 3.795 ( 3.931 -1.089 2.312) 4.689 3.871 ( 2.933 5.390 -5.891) 8.506 3.989 ( -1.246 5.728 -0.464) 5.881 4.014 ( 2.150 4.116 -7.733) 9.020 4.084 ( -5.504 -0.534 -1.093) 5.637 4.133 ( 0.200 -1.357 -1.345) 1.921 4.170 ( -6.554 2.807 0.192) 7.132 4.257 ( -4.344 -1.085 0.088) 4.478 4.375 ( -3.059 1.572 -7.099) 7.888 4.446 ( 0.464 2.857 -3.571) 4.597 4.496 ( -2.876 2.553 -0.735) 3.915 4.499 ( -1.628 0.263 -1.943) 2.549 4.551 ( 0.755 -0.434 -1.450) 1.691 4.620 ( 2.005 -6.635 -3.473) 7.753 4.827 ( -0.737 -2.145 -1.619) 2.786 4.858 ( -5.948 -5.292 0.824) 8.004 4.922 ( -8.309 -0.934 -1.020) 8.423 4.971 ( -0.939 -3.299 2.671) 4.348 5.056 ( 2.335 -1.908 -0.953) 3.162 5.151 ( -0.321 5.833 3.352) 6.735 5.182 ( -1.587 0.457 2.210) 2.758 5.268 ( 2.173 3.775 -3.031) 5.307 5.341 ( -2.766 -1.880 2.093) 3.946 5.422 ( -2.738 0.026 4.266) 5.069 5.487 ( 2.130 1.471 2.029) 3.289 5.550 ( -2.102 1.147 4.357) 4.972 5.633 ( -1.723 -4.012 0.456) 4.390 5.677 ( -2.305 -0.095 -1.802) 2.928 5.761 ( -2.328 -0.377 -1.189) 2.641 5.811 ( -2.664 -8.178 -1.542) 8.738 5.969 ( 1.467 -4.210 -2.826) 5.279 6.004 ( 4.897 0.587 3.784) 6.216 6.047 ( -3.278 1.852 2.304) 4.414 6.198 ( 2.994 -3.676 0.461) 4.764 6.318 ( -1.067 -5.151 -0.552) 5.289 6.432 ( -1.386 -0.897 1.015) 1.938 6.448 ( 0.549 1.146 2.735) 3.016 6.476 ( -1.806 -2.081 2.031) 3.423 6.545 ( -3.750 0.667 -3.662) 5.284 6.698 ( 0.120 0.838 3.351) 3.456 6.786 ( -1.399 5.192 -1.799) 5.670 7.023 ( -0.179 -3.953 1.512) 4.236 7.087 ( -0.603 -2.815 -1.872) 3.434 7.281 ( 2.083 5.446 -1.334) 5.981 7.338 ( -1.493 2.137 1.801) 3.168 7.390 ( 2.995 0.159 -0.593) 3.057 7.466 ( 0.569 4.244 -0.887) 4.373 7.651 ( -0.910 0.912 -8.420) 8.518 7.772 ( -0.923 -3.084 -1.816) 3.696 7.836 ( -2.006 -6.405 0.898) 6.772 7.921 ( 0.374 -3.511 -2.446) 4.295 8.160 ( -1.248 3.512 -4.072) 5.520 8.203 ( -7.155 3.437 1.394) 8.059 8.271 ( -0.985 3.865 2.700) 4.817 8.395 ( -0.621 6.425 -1.526) 6.633 8.478 ( 0.254 -0.253 0.876) 0.947 8.576 ( -7.135 1.487 1.891) 7.530 8.814 ( -1.247 -3.639 5.690) 6.868 8.853 ( 5.439 1.637 -1.498) 5.874 8.921 ( 0.851 -2.464 0.122) 2.610 8.965 ( -4.354 3.566 3.700) 6.735 9.150 ( 4.423 -2.027 -0.288) 4.874 9.222 ( -1.516 1.699 0.011) 2.277 9.305 ( -0.195 -1.251 2.987) 3.244 9.377 ( 2.064 -1.245 4.048) 4.711 9.471 ( -2.450 1.095 -0.088) 2.685 9.613 ( -0.618 1.217 -2.743) 3.064 9.678 ( 3.666 -4.945 -0.484) 6.175 9.752 ( 1.843 -4.659 -2.044) 5.411 9.947 ( 0.857 2.596 6.185) 6.762 10.002 ( -0.411 3.636 -0.267) 3.669 10.113 ( 0.311 7.663 0.312) 7.676 10.205 ( 5.900 -2.929 -4.255) 7.842 10.313 ( 1.325 -3.080 4.295) 5.449 10.453 ( 0.314 -2.315 1.928) 3.029 10.644 ( -4.210 -4.935 -0.054) 6.487 10.656 ( 0.253 -5.381 -1.845) 5.694 10.823 ( 3.364 -0.088 1.150) 3.556 10.992 ( 1.819 -1.998 4.180) 4.977 11.073 ( 3.801 -2.112 0.632) 4.394 11.134 ( -0.927 -3.551 4.721) 5.980 11.268 ( -0.661 4.604 -0.197) 4.656 11.432 ( -5.123 2.799 -0.665) 5.876 11.960 ( -2.247 -0.184 -0.405) 2.291 12.039 ( -1.747 1.514 -3.597) 4.276 12.068 ( 0.367 -1.308 -0.902) 1.630 12.179 ( 1.939 -0.331 -2.552) 3.222 12.230 ( -1.217 -1.179 -5.757) 6.001 12.329 ( 0.426 -1.137 -4.443) 4.606 12.407 ( 0.805 -3.528 -2.969) 4.681 12.463 ( 0.901 5.070 -2.368) 5.668 12.525 ( -2.848 1.165 -5.152) 6.001 12.572 ( -4.608 0.756 -2.103) 5.122 12.766 ( 1.480 -6.769 -0.469) 6.945 12.800 ( 0.537 -3.302 0.151) 3.349 12.914 ( 0.430 -4.613 2.855) 5.442 12.973 ( -4.765 -0.991 -1.046) 4.978 13.081 ( -0.747 -1.391 3.974) 4.276 13.117 ( 0.257 -0.290 2.654) 2.683 13.153 ( -1.385 3.068 2.544) 4.220 13.294 ( -5.234 3.229 3.064) 6.871 13.445 ( 1.662 -4.807 -0.144) 5.088 13.607 ( 3.529 -1.121 1.802) 4.118 13.631 ( -0.262 -0.769 0.301) 0.867 13.682 ( 4.079 -1.089 -2.082) 4.708 13.742 ( 8.489 2.985 -0.388) 9.007 13.868 ( 5.931 0.323 -2.985) 6.648 13.896 ( 2.158 3.860 -0.123) 4.424 14.121 ( -6.923 4.133 3.988) 8.995 14.189 ( -7.194 8.333 0.425) 11.017 14.340 ( -2.972 -4.458 -3.516) 6.408 14.543 ( 0.989 6.827 -5.597) 8.883 14.678 ( -7.393 -0.999 -3.269) 8.145 14.831 ( 3.906 4.129 5.138) 7.662 14.904 ( 5.553 0.446 0.010) 5.571 15.109 ( 1.907 -0.404 4.192) 4.623 15.323 ( 1.516 3.878 2.386) 4.799 15.378 ( 0.157 -3.504 -1.465) 3.801 15.475 ( -1.051 -0.701 0.726) 1.457 15.500 ( -1.368 2.673 -0.289) 3.017 15.583 ( -7.658 -1.477 -1.277) 7.903 15.771 ( 1.586 6.035 0.769) 6.287 15.942 ( -6.283 6.860 1.235) 9.384 16.116 ( 1.961 -1.383 5.747) 6.228 16.186 ( -0.726 -0.679 4.759) 4.862 16.346 ( 1.998 1.261 -2.262) 3.270 16.463 ( -3.035 5.083 -3.729) 6.997 16.657 ( 5.566 -7.643 -2.316) 9.735 16.835 ( 1.804 -4.284 -0.495) 4.675 16.958 ( 2.864 -3.070 2.596) 4.936 17.053 ( 3.149 -3.875 0.397) 5.009 19.230 ( 0.948 1.027 1.747) 2.237 19.357 ( -1.883 -0.850 -1.173) 2.376 19.553 ( -2.930 -5.467 3.131) 6.948 19.574 ( 0.993 -4.855 -0.271) 4.963 20.990 ( 3.026 4.379 -0.867) 5.393 21.102 ( -1.457 2.584 2.972) 4.199 21.207 ( 0.048 0.751 1.338) 1.535 21.223 ( -0.639 1.500 0.045) 1.631 25.055 ( -1.119 -0.246 -0.234) 1.169 25.064 ( -0.395 -0.231 -1.144) 1.232 25.423 ( 1.779 1.153 -2.038) 2.940 25.583 ( -1.385 -3.157 -5.722) 6.680 25.982 ( 0.425 2.071 3.698) 4.260 26.029 ( 0.767 1.502 2.869) 3.328 26.156 ( -0.631 1.601 -2.566) 3.089 26.197 ( -1.971 0.208 -1.101) 2.267 26.615 ( 3.646 0.751 -0.300) 3.735 26.727 ( 2.008 -1.486 -5.548) 6.084 27.047 ( 2.635 -0.215 -4.013) 4.805 27.202 ( -2.530 -3.664 -1.433) 4.677 27.343 ( 2.944 -3.379 -0.429) 4.502 27.404 ( -0.896 -2.184 0.435) 2.400 27.502 ( -0.456 1.034 2.899) 3.111 27.565 ( -0.545 -0.854 1.918) 2.169 27.625 ( -2.326 5.036 0.490) 5.569 27.748 ( 9.291 2.210 -1.040) 9.607 27.796 ( -2.731 6.064 -1.884) 6.912 28.027 ( -4.264 -0.296 0.564) 4.312 28.093 ( -1.167 3.582 4.256) 5.684 28.178 ( 4.633 1.228 5.805) 7.528 28.294 ( 2.793 1.493 -0.597) 3.223 28.351 ( -0.504 -1.840 -1.346) 2.335 28.489 ( -0.180 0.267 -2.063) 2.088 28.546 ( 0.006 -0.979 -0.264) 1.014 28.603 ( -2.187 -0.273 -1.848) 2.876 28.746 ( -4.913 -6.469 8.403) 11.687 28.807 ( -8.766 2.371 1.570) 9.216 29.101 ( -4.797 -0.775 3.825) 6.184 29.193 ( -3.226 3.359 -0.513) 4.686 29.570 ( 3.422 -1.817 -8.973) 9.774 29.812 ( 0.888 1.685 -0.400) 1.946 29.908 ( -0.762 3.460 -1.098) 3.709 30.154 ( 1.860 1.233 -2.587) 3.417 30.303 ( -9.088 -2.160 6.224) 11.225 30.581 ( 3.729 -6.417 12.087) 14.183 30.961 ( 0.416 -11.430 -0.572) 11.452 31.208 ( 7.567 5.389 -6.058) 11.091 31.351 ( 5.086 1.419 -9.176) 10.587 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.198 9.557 4.090) 10.397 1.836 ( -3.014 3.690 1.910) 5.133 1.957 ( 9.598 -0.022 9.706) 13.650 2.050 ( 1.288 -0.135 1.230) 1.786 2.064 ( 6.645 -0.324 3.340) 7.445 2.149 ( -1.370 1.042 -0.984) 1.982 2.231 ( 13.171 1.653 6.237) 14.666 2.333 ( 6.228 2.666 5.645) 8.819 2.486 ( -0.984 1.325 -3.390) 3.770 2.545 ( 4.388 0.002 6.846) 8.131 2.602 ( -6.163 -0.778 -5.101) 8.038 2.677 ( 0.607 1.046 3.902) 4.085 2.730 ( 0.113 1.213 -2.063) 2.396 2.832 ( -2.263 -3.495 -4.947) 6.466 2.911 ( 0.768 0.439 2.091) 2.270 3.032 ( -3.783 -5.062 -8.907) 10.921 3.197 ( -3.310 -3.935 4.033) 6.535 3.230 ( -1.358 -0.225 1.013) 1.709 3.278 ( -6.939 0.120 5.077) 8.599 3.350 ( -1.153 7.634 4.975) 9.185 3.422 ( 4.982 -2.275 0.068) 5.477 3.551 ( -2.691 0.534 3.767) 4.660 3.596 ( -5.689 5.943 -6.667) 10.589 3.695 ( -0.821 0.402 -3.114) 3.245 3.754 ( 5.560 2.620 5.083) 7.976 3.866 ( 1.587 -1.630 -1.712) 2.847 3.910 ( 3.999 -0.047 -2.740) 4.848 3.934 ( -4.557 8.080 5.825) 10.954 3.979 ( 2.674 1.807 -7.833) 8.471 4.025 ( -2.707 0.538 0.662) 2.839 4.073 ( -0.175 2.257 2.618) 3.461 4.118 ( 0.624 -0.378 -2.330) 2.441 4.166 ( -5.054 0.969 -11.774) 12.849 4.224 ( 4.865 -0.191 -8.640) 9.918 4.420 ( -3.231 0.468 3.047) 4.466 4.461 ( -0.103 -2.116 0.197) 2.128 4.507 ( 3.013 5.171 -2.862) 6.634 4.523 ( -0.831 2.725 -1.616) 3.275 4.666 ( 3.388 -2.575 1.907) 4.663 4.731 ( -9.658 -4.631 -1.821) 10.865 4.791 ( -1.451 -5.127 0.150) 5.330 4.821 ( 4.086 -3.165 -2.473) 5.729 4.999 ( -1.374 -2.986 5.444) 6.359 5.072 ( -1.555 0.591 -2.297) 2.836 5.117 ( 2.417 3.110 1.042) 4.075 5.176 ( 0.556 1.372 -4.503) 4.740 5.329 ( 2.972 0.981 2.254) 3.856 5.352 ( 0.383 -1.281 -0.678) 1.499 5.454 ( 2.887 2.378 7.118) 8.041 5.537 ( -1.901 1.009 1.007) 2.376 5.544 ( -0.542 1.354 1.728) 2.262 5.605 ( -2.708 -0.259 -4.023) 4.856 5.616 ( 0.205 -2.732 1.333) 3.047 5.670 ( -1.133 -0.804 -3.937) 4.175 5.840 ( 2.560 -7.669 3.275) 8.724 5.924 ( -1.015 -7.864 -5.144) 9.452 6.090 ( 2.327 0.971 5.835) 6.356 6.156 ( 2.399 -0.915 4.675) 5.334 6.208 ( 2.055 -1.266 -1.099) 2.652 6.291 ( -5.296 -1.211 -2.860) 6.140 6.359 ( -0.605 -0.106 -0.445) 0.759 6.387 ( -3.018 -0.942 -3.036) 4.383 6.505 ( -0.339 -0.827 3.659) 3.767 6.530 ( 0.791 -0.044 0.964) 1.248 6.735 ( 0.032 0.393 3.422) 3.445 6.771 ( 0.478 2.677 -0.326) 2.739 7.039 ( -2.255 -3.064 -0.140) 3.807 7.071 ( 4.189 -2.222 -2.473) 5.348 7.308 ( -2.703 1.821 0.189) 3.265 7.319 ( 2.525 2.743 -0.562) 3.770 7.406 ( 0.539 3.210 2.880) 4.346 7.494 ( -1.821 2.569 -1.565) 3.516 7.608 ( 5.660 -0.459 -2.195) 6.088 7.675 ( -4.547 -1.028 -6.092) 7.671 7.841 ( -1.079 -7.431 2.973) 8.076 7.903 ( 1.514 -4.589 -3.276) 5.838 8.097 ( -5.920 5.740 2.033) 8.493 8.173 ( 7.359 4.354 -5.378) 10.101 8.302 ( -0.004 4.362 3.636) 5.679 8.365 ( 0.429 3.818 -2.672) 4.680 8.499 ( -2.685 1.336 2.288) 3.772 8.526 ( 2.520 1.469 0.422) 2.947 8.859 ( -0.414 -5.055 4.566) 6.825 8.897 ( -5.262 -2.423 2.194) 6.195 8.921 ( 1.539 1.627 -0.776) 2.370 8.957 ( 4.586 2.789 -1.716) 5.635 9.157 ( -4.402 2.216 2.408) 5.485 9.227 ( 4.612 -3.175 -3.691) 6.707 9.327 ( -2.692 -2.733 5.382) 6.609 9.403 ( 0.595 -0.647 -2.833) 2.966 9.472 ( -1.268 5.582 6.716) 8.825 9.569 ( -1.346 0.244 -1.913) 2.352 9.724 ( 0.933 -1.039 -1.021) 1.730 9.745 ( 1.234 -4.040 -2.940) 5.147 9.995 ( -0.441 3.880 2.912) 4.871 10.018 ( 1.484 1.176 1.628) 2.497 10.140 ( 0.390 3.490 1.227) 3.720 10.216 ( 1.211 -1.512 -5.145) 5.498 10.384 ( 0.371 -3.149 5.188) 6.080 10.454 ( -0.591 -2.222 -1.096) 2.547 10.601 ( -1.803 -4.425 1.759) 5.092 10.655 ( 2.355 -4.963 -3.113) 6.314 10.960 ( 6.492 -0.958 6.935) 9.548 11.034 ( -3.538 -7.372 2.291) 8.492 11.117 ( -1.347 -1.511 2.029) 2.866 11.164 ( 2.175 2.480 -2.819) 4.340 11.238 ( 0.902 1.998 1.110) 2.457 11.296 ( -5.875 3.335 -3.214) 7.481 11.930 ( -0.279 -0.503 0.473) 0.745 11.980 ( 0.368 1.245 -4.241) 4.436 12.093 ( 0.809 -3.055 2.034) 3.758 12.135 ( -2.587 0.444 -2.644) 3.726 12.225 ( 2.794 -3.350 -0.982) 4.472 12.266 ( -1.956 -4.838 -5.176) 7.350 12.402 ( -1.546 0.573 -1.004) 1.930 12.418 ( -1.152 3.827 -2.926) 4.953 12.477 ( 1.519 4.065 -0.879) 4.427 12.495 ( -0.298 4.348 -1.861) 4.739 12.769 ( -3.863 -6.268 1.958) 7.619 12.801 ( 2.705 -7.755 -1.500) 8.349 12.907 ( -3.528 -0.851 2.568) 4.446 12.964 ( 4.311 -2.191 -2.679) 5.528 13.091 ( -3.183 -1.283 4.299) 5.501 13.153 ( 3.022 -0.655 -2.287) 3.846 13.176 ( -0.484 2.512 5.475) 6.044 13.254 ( 0.157 5.568 -0.210) 5.574 13.449 ( -3.024 -5.578 4.670) 7.878 13.591 ( -0.681 -4.329 -2.956) 5.286 13.674 ( -0.413 -0.052 -0.878) 0.971 13.691 ( 4.209 -1.036 -4.904) 6.546 13.860 ( -1.564 1.373 2.467) 3.228 13.922 ( 0.970 1.261 -2.894) 3.302 13.994 ( 6.541 3.159 4.918) 8.772 14.057 ( -6.340 2.508 0.329) 6.826 14.156 ( 4.128 3.794 6.448) 8.544 14.268 ( 0.095 0.743 -4.767) 4.826 14.495 ( 0.022 4.775 -3.410) 5.868 14.526 ( -2.707 4.614 -5.788) 7.882 14.912 ( -0.549 0.558 3.650) 3.733 14.961 ( 2.233 0.500 -1.850) 2.943 15.194 ( 0.209 -2.529 6.718) 7.182 15.327 ( -0.526 -2.740 -5.694) 6.341 15.391 ( 1.984 4.381 3.275) 5.819 15.440 ( -3.010 0.743 0.034) 3.100 15.466 ( -1.115 2.339 0.411) 2.624 15.510 ( 2.076 -1.146 -2.715) 3.604 15.803 ( -2.015 8.426 2.912) 9.139 15.867 ( 0.807 7.720 -2.243) 8.080 16.195 ( 0.630 -2.198 5.129) 5.616 16.229 ( -0.441 -3.065 4.249) 5.258 16.334 ( -2.023 3.487 -0.404) 4.052 16.399 ( 0.695 3.436 -4.022) 5.335 16.713 ( -1.229 -6.106 3.504) 7.146 16.819 ( 2.034 -1.534 -5.930) 6.454 17.023 ( 1.048 -5.097 2.904) 5.959 17.069 ( -0.609 -4.643 -1.622) 4.956 19.263 ( 0.277 -0.424 2.247) 2.304 19.309 ( -0.460 0.566 -2.459) 2.565 19.532 ( -2.908 -5.736 4.017) 7.583 19.596 ( 2.574 -5.757 -2.057) 6.633 21.044 ( -0.440 4.727 1.769) 5.067 21.076 ( 0.979 5.731 -1.248) 5.947 21.218 ( -0.291 -0.064 2.242) 2.262 21.238 ( 0.055 0.360 0.204) 0.417 25.038 ( -0.638 -0.245 0.030) 0.684 25.045 ( -0.544 -0.299 -0.777) 0.995 25.442 ( 1.295 0.836 0.301) 1.571 25.491 ( -2.513 -0.132 -4.716) 5.345 26.031 ( 0.483 1.959 4.350) 4.795 26.078 ( 1.047 0.660 2.747) 3.013 26.121 ( -0.104 1.087 -2.572) 2.794 26.149 ( -1.528 0.130 -2.322) 2.783 26.663 ( 1.920 -0.208 0.005) 1.931 26.704 ( 0.950 -0.919 -4.465) 4.656 27.085 ( 3.559 -2.743 -0.978) 4.599 27.104 ( -4.220 -3.158 -2.969) 6.049 27.379 ( -2.936 -2.198 0.881) 3.772 27.390 ( 2.228 -2.348 -0.127) 3.239 27.520 ( -0.548 1.932 2.825) 3.466 27.544 ( -1.846 0.472 0.600) 1.997 27.616 ( -2.226 7.668 3.107) 8.568 27.705 ( 0.728 5.019 -3.903) 6.400 27.895 ( -7.368 -1.693 0.119) 7.561 27.922 ( 6.981 -1.776 -0.844) 7.253 28.148 ( 0.468 2.951 5.621) 6.366 28.239 ( 0.605 2.783 -3.186) 4.274 28.353 ( 1.164 -1.949 2.514) 3.387 28.386 ( 0.673 -0.363 1.192) 1.416 28.482 ( -0.591 0.516 1.604) 1.786 28.543 ( 1.376 1.651 -1.840) 2.829 28.610 ( -1.256 0.188 1.904) 2.289 28.638 ( -0.240 2.334 -2.049) 3.115 28.842 ( 1.187 -4.643 8.812) 10.030 29.020 ( -1.081 -6.323 -7.664) 9.995 29.224 ( -0.301 6.152 10.869) 12.493 29.488 ( 2.179 2.095 -14.432) 14.745 29.845 ( 0.104 2.481 3.175) 4.031 29.888 ( -0.391 3.613 -1.277) 3.852 30.191 ( -7.761 -3.167 3.859) 9.228 30.236 ( 7.859 -2.075 -0.890) 8.177 30.740 ( -0.454 -7.327 12.868) 14.815 30.914 ( -3.412 -10.457 -3.045) 11.413 31.220 ( -1.444 6.001 -2.416) 6.629 31.338 ( 6.210 0.982 -11.279) 12.912 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -18.696 8.469 9.035) 22.425 1.730 ( -26.469 4.423 -15.010) 30.749 1.845 ( -1.450 4.806 -6.229) 8.000 1.997 ( -3.002 -4.736 -5.818) 8.080 2.099 ( -5.261 -2.681 -7.585) 9.613 2.134 ( 3.287 -0.563 -6.196) 7.036 2.282 ( 3.417 6.361 -9.023) 11.557 2.366 ( -0.040 -1.760 -4.184) 4.540 2.532 ( -0.431 -3.122 -1.031) 3.316 2.562 ( 1.155 -1.785 -4.103) 4.621 2.670 ( -2.761 1.221 -2.594) 3.980 2.700 ( 7.683 4.140 -0.170) 8.729 2.747 ( 7.137 0.825 2.036) 7.467 2.849 ( 2.728 -0.297 4.259) 5.067 2.917 ( -6.140 -2.082 3.028) 7.155 3.004 ( -0.431 2.122 6.449) 6.803 3.073 ( -11.905 -0.554 5.337) 13.058 3.114 ( -9.966 -3.055 2.071) 10.628 3.205 ( -6.028 2.567 3.458) 7.408 3.348 ( -8.439 6.395 -4.781) 11.618 3.373 ( -6.446 1.537 5.150) 8.393 3.466 ( -1.161 0.679 2.932) 3.226 3.569 ( 0.602 4.448 4.582) 6.414 3.695 ( -1.019 4.938 1.932) 5.399 3.788 ( -1.275 2.176 -4.884) 5.497 3.855 ( -3.409 -0.756 -5.887) 6.845 3.870 ( 1.946 -0.285 -1.652) 2.568 3.916 ( 3.052 -1.580 -0.259) 3.446 4.010 ( -0.539 -3.687 4.737) 6.027 4.038 ( -0.502 -0.123 -2.838) 2.884 4.075 ( 3.743 2.810 -1.534) 4.925 4.169 ( 7.131 2.229 7.952) 10.911 4.186 ( 5.021 3.299 3.285) 6.848 4.323 ( 11.199 -0.714 -5.203) 12.369 4.404 ( -2.613 -2.708 3.678) 5.262 4.437 ( -0.262 0.725 -1.106) 1.348 4.493 ( -0.111 -0.412 -1.013) 1.099 4.545 ( -0.247 -2.643 2.722) 3.802 4.602 ( -0.348 1.284 -3.399) 3.650 4.749 ( 1.810 4.528 5.287) 7.192 4.852 ( 5.583 -6.187 1.725) 8.510 4.922 ( 6.202 -3.849 -0.520) 7.318 5.008 ( -1.489 1.218 -0.697) 2.046 5.018 ( -1.511 -4.771 2.386) 5.544 5.167 ( 2.582 1.099 -2.967) 4.084 5.204 ( 5.624 4.953 0.459) 7.508 5.353 ( 2.240 0.680 -1.769) 2.934 5.381 ( 1.540 -3.535 -4.880) 6.219 5.480 ( -1.578 1.862 -1.800) 3.033 5.520 ( 1.647 0.371 -1.833) 2.492 5.584 ( 1.057 1.279 3.324) 3.715 5.596 ( 3.318 1.709 6.499) 7.495 5.647 ( 1.771 0.283 -2.606) 3.163 5.702 ( 5.046 -2.691 2.581) 6.275 5.858 ( 0.406 -9.384 -5.412) 10.840 5.914 ( 1.663 -5.523 2.311) 6.214 6.085 ( -8.834 -0.529 -3.907) 9.674 6.125 ( 0.055 1.432 -5.035) 5.235 6.176 ( -0.292 -1.172 2.928) 3.167 6.289 ( -0.252 -3.642 2.859) 4.637 6.380 ( 3.563 -0.006 5.049) 6.179 6.425 ( 2.296 0.599 2.120) 3.182 6.510 ( -1.602 0.130 1.073) 1.932 6.540 ( 0.701 -0.740 -1.620) 1.914 6.764 ( 1.222 1.337 0.188) 1.821 6.773 ( 0.147 1.707 -1.705) 2.417 7.001 ( -1.497 -1.829 1.516) 2.808 7.120 ( 4.463 -4.742 -4.743) 8.056 7.245 ( -3.802 3.256 0.282) 5.014 7.345 ( 0.128 2.106 -0.130) 2.114 7.446 ( 2.223 4.682 -3.212) 6.097 7.477 ( -2.384 2.409 5.836) 6.749 7.538 ( -0.992 0.873 -4.975) 5.148 7.704 ( 3.042 -3.074 2.655) 5.075 7.844 ( -0.605 -1.838 1.956) 2.751 7.888 ( -1.358 -6.236 -1.207) 6.496 8.102 ( 4.766 2.943 2.032) 5.959 8.261 ( 7.374 2.205 -4.000) 8.674 8.312 ( -0.821 3.046 -0.225) 3.162 8.379 ( 2.941 5.213 -0.573) 6.013 8.492 ( 1.256 2.392 -0.591) 2.766 8.601 ( 4.900 2.038 0.302) 5.315 8.821 ( -3.575 -2.002 0.568) 4.137 8.876 ( -1.910 -3.787 3.477) 5.485 8.922 ( 1.657 -1.223 -3.397) 3.972 9.032 ( 4.701 4.655 -2.171) 6.963 9.105 ( -4.977 1.064 2.969) 5.892 9.246 ( -1.538 -0.355 1.071) 1.907 9.316 ( -0.129 -4.503 -1.861) 4.874 9.393 ( -0.571 0.509 1.192) 1.416 9.506 ( -2.027 0.948 2.374) 3.262 9.548 ( 0.327 3.552 1.400) 3.832 9.682 ( -1.612 -3.794 -1.671) 4.448 9.754 ( 1.168 -4.023 -2.248) 4.754 9.998 ( -0.757 4.816 -0.379) 4.890 10.065 ( 1.807 -2.067 -0.087) 2.746 10.097 ( -5.233 -1.741 -0.782) 5.570 10.182 ( 1.002 4.926 -3.395) 6.066 10.376 ( -3.341 -3.769 -0.712) 5.087 10.452 ( 0.006 -1.927 0.993) 2.167 10.604 ( -0.936 -3.417 2.814) 4.525 10.678 ( 3.941 -4.230 -2.865) 6.452 10.891 ( -6.386 -3.384 -3.902) 8.213 11.054 ( -5.883 -0.233 -0.503) 5.909 11.091 ( -2.866 -0.420 -3.717) 4.713 11.184 ( 6.435 -5.358 3.900) 9.237 11.230 ( 0.109 3.525 0.642) 3.584 11.374 ( 6.601 1.400 5.215) 8.528 11.943 ( 1.230 0.267 0.981) 1.596 11.997 ( 4.187 0.522 -0.743) 4.285 12.044 ( -4.621 -2.798 0.606) 5.436 12.144 ( -2.158 1.988 2.923) 4.142 12.176 ( -0.470 0.053 -2.316) 2.364 12.267 ( 1.725 -3.282 1.072) 3.860 12.350 ( -2.418 -1.827 1.644) 3.448 12.422 ( 0.450 5.729 0.847) 5.809 12.489 ( 2.530 3.057 -0.824) 4.053 12.547 ( 3.877 3.317 0.934) 5.187 12.727 ( -2.108 -6.689 1.713) 7.219 12.825 ( 0.332 -5.651 -1.464) 5.847 12.901 ( 0.755 -1.845 3.728) 4.228 12.997 ( 1.920 -0.977 -2.824) 3.552 13.084 ( -0.081 -2.772 1.362) 3.090 13.159 ( 0.381 4.040 -0.222) 4.064 13.221 ( 0.831 -0.336 -0.683) 1.127 13.305 ( 5.934 3.196 -0.667) 6.773 13.430 ( -5.998 -5.827 5.194) 9.844 13.561 ( -2.328 -2.080 2.060) 3.740 13.638 ( -1.785 -0.576 -1.864) 2.644 13.694 ( 0.237 -0.154 -4.354) 4.364 13.751 ( -6.915 1.188 0.588) 7.041 13.873 ( -6.155 -0.905 -2.631) 6.755 13.913 ( -4.668 2.062 -1.387) 5.288 14.194 ( 4.962 -1.132 -2.559) 5.697 14.217 ( 8.727 4.797 0.824) 9.993 14.321 ( 4.810 5.556 -3.222) 8.024 14.477 ( 1.159 4.907 0.458) 5.063 14.577 ( 7.468 1.263 5.338) 9.266 14.879 ( -5.310 2.337 0.215) 5.806 14.939 ( -1.780 1.413 -3.408) 4.096 15.169 ( -3.869 -1.619 -0.628) 4.241 15.342 ( 2.218 -1.802 0.637) 2.928 15.366 ( -1.681 3.935 -1.273) 4.464 15.472 ( -0.070 1.439 1.414) 2.019 15.517 ( 3.659 1.915 -0.732) 4.194 15.549 ( 8.462 -3.968 1.116) 9.412 15.761 ( -3.621 9.759 1.664) 10.541 15.935 ( 6.114 5.782 0.202) 8.417 16.212 ( -2.164 -1.558 -2.869) 3.917 16.237 ( -0.793 -2.451 2.327) 3.471 16.313 ( -2.003 0.612 3.273) 3.886 16.392 ( 1.664 1.931 -1.216) 2.824 16.646 ( -6.460 -0.403 0.250) 6.477 16.847 ( 3.489 -4.817 -1.197) 6.067 17.003 ( -4.345 -3.721 -2.401) 6.204 17.038 ( -2.184 -4.893 1.768) 5.643 19.256 ( -1.242 0.476 -0.339) 1.373 19.332 ( 3.194 -0.624 0.610) 3.311 19.533 ( -1.763 -6.229 3.355) 7.291 19.626 ( 3.890 -6.007 -2.967) 7.747 20.986 ( -3.926 5.678 -0.215) 6.907 21.143 ( 4.501 4.792 -0.861) 6.631 21.218 ( -1.833 1.047 0.992) 2.332 21.221 ( -1.342 -0.427 -0.450) 1.478 25.036 ( -0.370 -0.488 1.575) 1.690 25.041 ( 0.182 -0.432 0.909) 1.023 25.410 ( -3.012 1.472 -1.262) 3.582 25.476 ( 0.129 -0.275 3.601) 3.614 26.063 ( -0.375 1.513 -3.696) 4.012 26.081 ( 0.500 2.106 1.677) 2.738 26.102 ( -0.955 0.413 -1.193) 1.583 26.153 ( 1.700 -0.266 3.363) 3.778 26.661 ( -0.394 -1.193 -4.156) 4.341 26.678 ( -0.599 -0.918 -1.016) 1.495 26.998 ( -3.874 0.177 0.336) 3.893 27.172 ( 4.072 -4.349 1.248) 6.087 27.324 ( -4.264 -2.114 1.180) 4.904 27.408 ( -0.241 -2.101 0.231) 2.128 27.521 ( -0.872 1.537 0.728) 1.911 27.544 ( -1.687 3.585 3.663) 5.396 27.617 ( -1.422 1.981 3.918) 4.615 27.719 ( 2.799 7.443 -2.121) 8.230 27.771 ( -5.243 -1.065 0.632) 5.388 28.034 ( 5.780 -2.281 0.095) 6.214 28.184 ( -1.003 2.836 -1.897) 3.556 28.216 ( 0.854 1.828 0.378) 2.053 28.349 ( -3.254 -0.183 -0.693) 3.332 28.361 ( -2.711 0.441 -4.756) 5.492 28.456 ( -3.370 2.246 0.889) 4.146 28.508 ( -0.815 -0.900 2.433) 2.719 28.581 ( 4.356 2.102 -0.549) 4.867 28.811 ( 10.111 -0.470 -0.017) 10.122 28.901 ( -0.101 -7.770 -1.845) 7.987 29.020 ( 6.693 -4.006 2.116) 8.082 29.350 ( 1.142 4.229 10.214) 11.113 29.396 ( 4.438 5.648 -13.164) 14.997 29.851 ( -1.948 1.384 -1.102) 2.631 29.877 ( 0.122 3.448 1.346) 3.703 30.102 ( -4.468 0.691 2.399) 5.118 30.402 ( 11.249 -5.142 -2.804) 12.682 30.739 ( -9.551 -9.599 0.527) 13.552 30.865 ( -1.549 -9.387 5.560) 11.020 31.132 ( -6.912 6.624 0.758) 9.603 31.331 ( 3.964 0.572 -8.670) 9.551 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -26.573 8.813 -7.544) 28.995 1.404 ( -21.637 9.866 15.340) 28.298 1.745 ( -4.036 -3.144 -7.832) 9.355 1.760 ( -2.784 -0.601 -6.193) 6.817 2.046 ( 2.124 -1.665 -5.713) 6.318 2.126 ( 4.643 4.359 -11.667) 13.292 2.211 ( 4.249 4.665 -9.760) 11.623 2.330 ( -6.084 -5.908 4.289) 9.503 2.411 ( -3.996 -2.816 0.147) 4.890 2.586 ( -12.276 2.665 6.381) 14.089 2.602 ( -2.122 1.869 -1.388) 3.150 2.625 ( -6.737 0.242 -0.495) 6.759 2.825 ( -0.439 2.980 1.577) 3.400 2.846 ( 4.909 2.673 -2.810) 6.256 2.888 ( -3.848 -3.691 -0.391) 5.346 2.976 ( -0.107 3.863 5.839) 7.002 3.054 ( -1.410 -0.225 0.952) 1.716 3.108 ( -0.423 -3.100 3.648) 4.806 3.139 ( -4.980 2.921 4.821) 7.521 3.262 ( 0.022 7.472 1.737) 7.671 3.310 ( -5.008 -4.609 2.342) 7.198 3.462 ( -3.491 4.835 1.392) 6.124 3.561 ( -4.649 2.686 2.452) 5.903 3.668 ( 0.078 -1.800 -9.639) 9.806 3.728 ( 0.857 5.736 -1.876) 6.096 3.771 ( -3.554 3.289 2.186) 5.313 3.899 ( 2.760 0.679 0.145) 2.846 3.982 ( 1.545 -0.273 2.046) 2.578 4.026 ( 3.098 0.586 -0.345) 3.171 4.101 ( 1.013 -5.185 5.730) 7.794 4.168 ( 5.817 -1.427 0.462) 6.007 4.222 ( 2.114 0.977 -1.740) 2.907 4.335 ( 0.504 -0.273 5.675) 5.704 4.352 ( -0.482 -2.280 -1.780) 2.932 4.427 ( -0.491 3.773 -0.140) 3.807 4.464 ( -0.059 -6.749 1.260) 6.866 4.519 ( 3.866 -3.249 2.189) 5.504 4.570 ( 3.159 3.191 -0.293) 4.500 4.641 ( 4.113 0.982 -0.725) 4.291 4.807 ( -1.018 5.024 2.497) 5.702 4.929 ( 0.144 -2.950 1.840) 3.479 4.961 ( 1.156 -4.455 -0.211) 4.607 5.010 ( 2.285 -0.083 2.849) 3.654 5.055 ( 0.441 -2.296 1.537) 2.798 5.179 ( 3.118 2.242 -7.519) 8.443 5.258 ( 0.035 -0.657 -8.075) 8.102 5.306 ( 5.080 3.032 -0.242) 5.921 5.429 ( 4.108 -0.090 -1.620) 4.417 5.478 ( 0.126 1.192 0.227) 1.220 5.541 ( 2.543 1.166 -6.052) 6.667 5.634 ( 2.794 2.377 -3.607) 5.144 5.670 ( 3.166 -3.209 1.312) 4.695 5.694 ( 3.216 -0.982 1.987) 3.906 5.787 ( 1.871 -0.244 1.312) 2.298 5.868 ( 3.969 -9.128 -1.155) 10.020 5.915 ( -2.734 -0.983 -0.751) 3.001 5.970 ( 0.365 -1.641 1.759) 2.433 6.117 ( 0.251 -0.414 -2.856) 2.897 6.156 ( -1.036 -3.996 0.661) 4.181 6.312 ( -0.767 -4.581 1.238) 4.807 6.422 ( -2.937 -0.758 -0.562) 3.085 6.467 ( 2.026 2.116 1.446) 3.267 6.482 ( -2.073 2.084 -0.326) 2.957 6.578 ( 2.888 -0.754 2.737) 4.049 6.727 ( -0.811 3.481 -3.463) 4.977 6.804 ( 3.261 2.205 1.156) 4.103 7.030 ( 0.484 -3.032 4.286) 5.272 7.090 ( -1.736 -4.266 -4.651) 6.546 7.229 ( 0.597 4.200 2.660) 5.007 7.333 ( -0.704 2.573 -0.299) 2.685 7.373 ( -3.127 2.076 -3.919) 5.427 7.503 ( 3.954 6.108 -0.982) 7.342 7.601 ( 1.808 0.771 5.702) 6.031 7.748 ( -1.127 -3.340 3.468) 4.945 7.857 ( 0.433 -1.315 0.959) 1.684 7.880 ( -0.403 -1.478 3.414) 3.742 8.242 ( 4.324 1.389 2.942) 5.411 8.281 ( 3.783 -3.444 -3.712) 6.321 8.374 ( 7.962 3.068 -0.959) 8.586 8.406 ( 1.214 4.816 -1.673) 5.241 8.532 ( 4.771 5.339 -1.318) 7.280 8.692 ( 4.073 0.338 1.955) 4.531 8.799 ( -0.083 -2.220 -0.946) 2.415 8.885 ( 1.034 -2.726 1.088) 3.112 8.921 ( 3.772 -1.086 -6.171) 7.314 9.026 ( -4.351 2.929 0.889) 5.320 9.061 ( -0.556 3.669 -1.907) 4.172 9.202 ( -6.218 -0.924 5.912) 8.630 9.292 ( 1.172 -1.783 -5.884) 6.258 9.394 ( -1.268 -1.052 1.342) 2.125 9.459 ( -3.071 -1.460 -1.496) 3.714 9.574 ( -0.049 2.765 2.735) 3.889 9.672 ( 0.055 -5.544 -0.621) 5.579 9.726 ( -0.312 -7.553 -3.399) 8.288 9.941 ( -4.816 4.146 -1.137) 6.455 10.014 ( -0.513 0.761 -3.372) 3.495 10.056 ( -3.604 -0.991 2.635) 4.573 10.210 ( 5.835 3.841 -3.883) 7.993 10.308 ( -2.115 -3.946 -1.182) 4.630 10.443 ( -1.799 -1.770 0.483) 2.569 10.616 ( -1.548 -1.907 3.474) 4.255 10.732 ( 3.893 -4.696 -0.539) 6.124 10.789 ( -1.545 -2.027 -1.271) 2.848 10.975 ( -3.498 -1.050 2.444) 4.395 11.007 ( -1.933 -0.836 -3.451) 4.042 11.173 ( -1.445 -3.566 -4.162) 5.668 11.311 ( 2.910 1.062 -1.406) 3.402 11.483 ( 0.882 0.655 0.304) 1.140 11.973 ( -0.913 -0.956 2.284) 2.639 12.052 ( 0.931 -2.955 5.809) 6.583 12.071 ( 3.725 3.030 1.829) 5.138 12.112 ( 0.541 1.869 0.088) 1.947 12.198 ( 0.268 -0.862 3.357) 3.477 12.309 ( 1.076 1.932 2.360) 3.234 12.367 ( 0.951 -0.850 5.478) 5.625 12.440 ( 0.301 4.694 1.463) 4.926 12.550 ( 3.217 2.945 0.862) 4.445 12.582 ( -1.446 1.459 0.922) 2.252 12.747 ( 2.466 -5.408 1.569) 6.147 12.808 ( 0.817 -2.684 -2.377) 3.677 12.925 ( -1.931 -3.122 -1.589) 4.000 13.031 ( 3.337 -0.310 3.011) 4.505 13.125 ( 3.869 -3.187 -0.547) 5.042 13.168 ( 0.443 2.933 -0.083) 2.967 13.184 ( -2.474 -0.885 -2.578) 3.681 13.339 ( -5.492 -1.314 0.044) 5.647 13.413 ( 4.387 1.704 1.318) 4.888 13.511 ( -5.997 2.532 4.339) 7.823 13.545 ( -7.125 -0.454 -1.382) 7.273 13.620 ( -4.101 -2.232 3.503) 5.837 13.728 ( -4.112 -0.704 0.618) 4.217 13.767 ( 5.630 -4.214 -10.638) 12.752 13.879 ( 1.959 5.731 3.537) 7.013 14.290 ( 5.746 2.266 -3.646) 7.173 14.314 ( 6.239 4.309 -1.714) 7.774 14.367 ( 2.174 1.329 0.518) 2.600 14.524 ( 1.696 3.966 1.376) 4.527 14.756 ( -7.296 6.414 -0.716) 9.740 14.771 ( 6.093 -3.069 3.841) 7.829 14.850 ( -1.575 3.606 -5.176) 6.502 15.109 ( -1.249 -0.637 -2.831) 3.160 15.323 ( -0.554 3.970 -1.264) 4.203 15.375 ( 0.356 -1.703 -0.442) 1.796 15.489 ( 0.952 1.099 0.181) 1.466 15.551 ( 2.717 1.353 -1.627) 3.444 15.699 ( -0.818 7.831 -2.270) 8.194 15.770 ( 8.290 -5.523 4.653) 10.994 16.053 ( 6.027 3.672 2.047) 7.348 16.110 ( -4.120 -1.244 -4.771) 6.426 16.239 ( 0.335 -1.589 -1.856) 2.467 16.297 ( -0.974 0.157 -0.104) 0.992 16.425 ( -2.170 -3.940 5.543) 7.138 16.563 ( -1.568 3.713 -0.883) 4.126 16.834 ( -3.123 -6.821 -4.737) 8.872 16.910 ( -4.059 -2.148 -0.492) 4.619 16.997 ( -3.165 -2.526 -0.010) 4.050 19.235 ( -0.089 1.675 -1.603) 2.320 19.391 ( 1.768 -2.060 -0.763) 2.820 19.512 ( -3.428 -5.658 1.130) 6.711 19.660 ( 3.493 -6.421 -3.558) 8.129 20.936 ( -1.897 5.309 1.191) 5.762 21.136 ( -2.076 2.359 -3.100) 4.414 21.187 ( -1.456 -0.713 0.017) 1.621 21.249 ( 2.896 2.480 2.298) 4.452 25.043 ( -0.806 -0.285 1.601) 1.815 25.083 ( 2.488 -1.862 2.134) 3.770 25.368 ( -2.155 1.795 1.882) 3.377 25.523 ( -1.100 -3.033 7.257) 7.942 26.013 ( -0.416 1.566 -4.368) 4.658 26.047 ( -0.194 1.693 -3.121) 3.556 26.142 ( 1.386 2.730 3.583) 4.713 26.213 ( 1.568 -0.313 2.650) 3.095 26.571 ( -4.458 -0.392 -5.202) 6.862 26.661 ( -1.229 -1.761 2.154) 3.042 26.987 ( -0.116 2.760 3.197) 4.225 27.207 ( -1.949 -0.552 -0.089) 2.028 27.294 ( -0.656 -5.400 2.598) 6.028 27.396 ( -1.471 -3.397 1.434) 3.970 27.483 ( -7.483 3.274 2.383) 8.508 27.530 ( -2.191 -0.120 -0.550) 2.262 27.588 ( -3.651 -0.064 -0.813) 3.740 27.695 ( 2.825 -1.256 -2.163) 3.773 27.869 ( 8.141 14.259 3.651) 16.820 28.045 ( -4.653 0.113 -3.983) 6.126 28.146 ( 1.289 -0.753 -0.456) 1.561 28.204 ( 1.409 6.049 -5.368) 8.209 28.243 ( -2.075 0.808 1.200) 2.529 28.375 ( 3.218 -2.684 -0.261) 4.198 28.431 ( -2.806 4.596 2.817) 6.077 28.544 ( 1.343 -4.801 2.120) 5.417 28.671 ( 6.199 -0.042 0.516) 6.221 28.879 ( 2.903 -11.357 -2.092) 11.907 28.996 ( 10.387 0.363 -0.285) 10.397 29.179 ( 7.613 -2.572 2.697) 8.476 29.363 ( 6.096 5.627 -9.228) 12.409 29.464 ( 1.146 4.203 5.088) 6.698 29.780 ( -3.745 -0.546 -2.067) 4.312 29.899 ( -0.050 2.719 2.753) 3.870 30.097 ( -0.869 4.241 4.678) 6.374 30.495 ( -2.501 -0.227 -5.603) 6.140 30.559 ( -0.986 -12.871 -4.524) 13.678 30.883 ( -2.846 -10.693 4.899) 12.102 31.014 ( -8.796 6.238 2.741) 11.127 31.279 ( -2.224 0.966 -5.497) 6.008 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 9.944 10.198 32.564) 35.543 1.239 ( -17.193 11.678 20.387) 29.114 1.678 ( 5.157 2.782 -13.027) 14.284 1.797 ( 5.513 -9.036 11.745) 15.811 2.031 ( 3.340 3.742 -3.710) 6.239 2.129 ( 8.369 1.919 -11.455) 14.316 2.216 ( -8.935 -0.248 13.977) 16.591 2.296 ( -12.072 12.657 13.932) 22.362 2.333 ( 1.099 -2.014 -2.804) 3.623 2.428 ( -0.109 -4.833 2.059) 5.254 2.598 ( -0.195 -0.285 3.503) 3.520 2.684 ( 6.523 -3.451 1.496) 7.529 2.778 ( -2.025 0.844 0.822) 2.343 2.852 ( -0.337 4.086 0.034) 4.100 2.967 ( 0.871 -2.068 0.602) 2.323 2.968 ( 1.557 1.209 -0.122) 1.975 3.018 ( -3.241 -0.545 -0.224) 3.294 3.107 ( -0.600 4.454 -1.792) 4.839 3.136 ( -0.459 -2.059 3.299) 3.915 3.229 ( -6.606 -5.368 0.552) 8.530 3.305 ( -0.169 2.968 2.836) 4.109 3.361 ( -4.686 5.192 -5.177) 8.702 3.551 ( 1.345 1.953 -1.682) 2.907 3.584 ( 1.222 0.283 -0.531) 1.361 3.708 ( -1.770 6.007 -2.585) 6.775 3.772 ( 1.283 1.651 1.677) 2.680 3.938 ( 0.646 -1.375 -1.989) 2.503 4.001 ( -0.291 4.556 -0.758) 4.628 4.065 ( -1.236 4.037 3.174) 5.282 4.136 ( -0.699 1.353 -5.356) 5.568 4.164 ( 1.570 -4.779 1.389) 5.219 4.260 ( -4.717 -3.452 2.268) 6.270 4.332 ( 1.868 -3.520 -2.983) 4.977 4.366 ( -4.704 -0.195 -3.907) 6.118 4.427 ( 4.299 -2.669 5.144) 7.215 4.450 ( -0.001 -1.350 3.071) 3.355 4.571 ( 2.723 -1.466 -2.865) 4.216 4.631 ( -1.312 -0.308 -3.549) 3.796 4.679 ( 4.758 -2.987 3.313) 6.522 4.801 ( -1.056 4.088 2.351) 4.832 4.893 ( -2.398 1.131 -1.356) 2.978 5.005 ( -0.750 -4.402 -4.526) 6.358 5.029 ( 1.231 -1.552 3.406) 3.940 5.080 ( 1.819 5.335 -2.413) 6.132 5.131 ( 0.772 -3.122 -2.486) 4.065 5.252 ( 1.170 -0.728 -2.081) 2.496 5.349 ( -0.766 4.798 -8.823) 10.072 5.394 ( 2.514 2.981 -2.992) 4.915 5.455 ( -0.360 1.126 -2.982) 3.208 5.533 ( -0.107 0.368 -4.974) 4.989 5.625 ( 0.680 0.622 -0.336) 0.981 5.709 ( -0.050 -3.842 -2.533) 4.602 5.754 ( 1.110 -4.316 1.005) 4.568 5.832 ( 3.051 -1.326 0.581) 3.377 5.881 ( 0.348 -4.333 -1.635) 4.644 5.917 ( 1.636 -2.292 0.588) 2.877 6.014 ( 1.897 -1.347 -2.240) 3.229 6.054 ( -2.201 -5.490 -3.440) 6.843 6.176 ( 0.722 -1.830 2.921) 3.521 6.285 ( -1.541 -2.798 -0.818) 3.298 6.376 ( -1.061 2.498 -1.039) 2.907 6.420 ( -2.435 1.502 -1.499) 3.230 6.522 ( 1.487 2.419 3.188) 4.270 6.586 ( -0.936 -0.416 -0.995) 1.428 6.803 ( 5.734 3.279 7.285) 9.834 6.892 ( 4.334 0.439 1.973) 4.782 7.011 ( -5.038 -2.972 3.917) 7.040 7.093 ( 1.927 -2.093 2.442) 3.749 7.286 ( -0.886 3.792 -2.849) 4.825 7.299 ( 2.541 3.212 -0.291) 4.105 7.343 ( 1.932 2.498 0.491) 3.196 7.525 ( -1.298 3.525 -0.919) 3.867 7.684 ( 2.618 -0.045 3.938) 4.729 7.756 ( -1.945 -0.879 4.366) 4.860 7.875 ( -0.893 1.519 2.239) 2.849 7.922 ( 1.928 -2.061 0.378) 2.848 8.273 ( 3.135 2.905 -0.646) 4.322 8.321 ( 0.391 0.074 -1.504) 1.556 8.438 ( 4.528 4.883 -0.460) 6.675 8.538 ( 5.782 -0.637 1.553) 6.020 8.629 ( 7.083 5.048 0.597) 8.718 8.753 ( 1.959 -0.921 -0.565) 2.237 8.757 ( -0.560 -4.417 -2.759) 5.238 8.911 ( -2.687 -0.476 0.886) 2.869 8.933 ( 5.972 -1.032 -5.478) 8.170 8.967 ( -5.070 0.555 3.036) 5.936 9.055 ( 5.153 2.796 -3.506) 6.831 9.153 ( -6.528 -1.076 3.099) 7.306 9.260 ( 1.826 -2.526 -2.480) 3.983 9.366 ( -1.672 -1.738 -2.147) 3.229 9.405 ( -1.001 -0.092 0.424) 1.091 9.592 ( -1.966 3.966 0.955) 4.528 9.599 ( -6.350 -4.450 2.814) 8.249 9.731 ( 3.973 -8.832 -5.265) 11.023 9.857 ( -5.499 2.608 3.178) 6.866 9.986 ( 2.016 1.661 -4.716) 5.391 10.048 ( -0.327 1.208 2.505) 2.800 10.210 ( 0.164 -0.726 -5.504) 5.554 10.351 ( 4.675 -3.412 1.627) 6.012 10.419 ( -1.850 -1.568 1.805) 3.023 10.627 ( -0.737 -2.086 4.582) 5.088 10.753 ( 0.211 -3.508 0.956) 3.642 10.842 ( 3.914 -4.139 2.360) 6.166 10.940 ( -2.463 -4.060 -0.408) 4.766 11.010 ( 2.713 0.633 1.591) 3.208 11.107 ( -0.728 -0.003 -1.856) 1.994 11.292 ( 0.018 2.075 -6.498) 6.821 11.424 ( -4.349 -0.243 -3.261) 5.441 11.971 ( -0.511 0.289 0.157) 0.608 12.040 ( -5.092 -4.826 3.246) 7.731 12.163 ( 4.761 -2.226 -2.586) 5.857 12.170 ( 0.988 -0.496 3.605) 3.771 12.255 ( 2.644 0.029 4.384) 5.120 12.390 ( 3.857 6.354 4.060) 8.470 12.437 ( -1.200 3.652 6.276) 7.360 12.474 ( 0.324 3.850 2.102) 4.398 12.539 ( -1.521 3.019 -1.086) 3.551 12.592 ( 1.863 0.394 -0.435) 1.954 12.768 ( 0.601 -2.281 -4.128) 4.755 12.841 ( 2.889 -2.201 -1.087) 3.791 12.866 ( -2.094 -3.007 0.014) 3.665 13.031 ( -5.800 -3.768 -3.051) 7.560 13.071 ( -1.466 3.072 -1.391) 3.677 13.187 ( -0.310 -1.652 1.990) 2.605 13.233 ( 4.069 1.554 0.643) 4.403 13.331 ( 0.759 -0.014 3.929) 4.002 13.398 ( -4.126 0.293 -0.849) 4.223 13.453 ( -1.426 1.054 6.646) 6.878 13.558 ( 5.231 3.093 0.498) 6.097 13.596 ( -2.291 -4.285 4.347) 6.519 13.703 ( 0.728 -0.852 -1.122) 1.586 13.774 ( 5.637 -0.527 -8.312) 10.057 14.008 ( 5.340 4.164 7.420) 10.045 14.324 ( -3.564 -2.615 0.119) 4.422 14.337 ( 2.957 4.180 -2.720) 5.798 14.401 ( 1.738 5.725 -1.536) 6.177 14.534 ( -2.833 4.410 -0.775) 5.299 14.591 ( -4.641 6.364 -5.727) 9.739 14.829 ( 4.276 3.532 -1.383) 5.716 14.887 ( 2.225 -5.796 0.410) 6.222 15.070 ( 0.553 1.193 -2.033) 2.421 15.317 ( 0.422 3.573 -1.161) 3.780 15.357 ( -0.875 -1.323 -1.281) 2.039 15.471 ( -2.256 1.342 -4.235) 4.983 15.581 ( 1.633 4.466 0.602) 4.793 15.645 ( -1.446 7.192 0.123) 7.337 15.937 ( 5.970 -8.919 -1.237) 10.804 16.003 ( -1.884 -4.202 -4.241) 6.260 16.174 ( 3.203 0.849 4.438) 5.539 16.217 ( 1.132 0.300 -4.186) 4.347 16.282 ( -0.939 -1.128 -0.200) 1.481 16.393 ( -6.601 -5.513 4.780) 9.839 16.571 ( 2.031 2.574 -1.389) 3.561 16.707 ( -5.084 -1.448 -4.378) 6.864 16.825 ( -4.009 -1.102 -1.016) 4.280 16.888 ( -7.035 -0.097 -4.930) 8.591 19.215 ( -0.112 2.330 -2.375) 3.329 19.277 ( -8.195 1.698 -4.085) 9.313 19.523 ( 0.907 -4.792 3.744) 6.148 19.668 ( 1.468 -7.057 -3.416) 7.976 20.940 ( -0.364 4.592 2.165) 5.090 21.063 ( -2.861 4.305 -2.222) 5.626 21.213 ( 3.444 -4.191 2.080) 5.810 21.314 ( 1.966 -0.929 1.313) 2.540 25.043 ( -0.990 0.332 1.908) 2.175 25.135 ( 2.221 -3.034 -1.551) 4.067 25.373 ( -0.370 0.145 3.569) 3.591 25.542 ( -4.490 -6.454 3.467) 8.593 25.969 ( -0.186 2.870 -3.065) 4.203 26.025 ( 0.125 2.247 -3.063) 3.801 26.199 ( 1.252 2.630 1.668) 3.357 26.237 ( -1.014 -0.013 -0.094) 1.019 26.504 ( 1.806 2.263 4.949) 5.733 26.688 ( 0.409 -2.019 4.333) 4.798 27.032 ( 0.621 3.038 3.685) 4.816 27.143 ( -3.637 -0.233 -1.855) 4.089 27.250 ( -9.361 -1.326 0.922) 9.499 27.326 ( -2.908 -1.224 -2.214) 3.855 27.433 ( -0.733 -2.356 2.260) 3.346 27.490 ( -0.678 -0.684 -2.115) 2.324 27.527 ( -0.347 1.867 -2.565) 3.192 27.716 ( -2.601 3.009 -3.357) 5.205 27.830 ( 1.148 5.760 -2.802) 6.508 28.114 ( -1.149 -1.842 -4.353) 4.864 28.165 ( 3.032 2.160 0.263) 3.732 28.215 ( 0.117 4.018 0.452) 4.045 28.273 ( 9.536 4.656 2.970) 11.020 28.403 ( -1.575 1.223 1.823) 2.702 28.453 ( 2.915 -1.719 2.327) 4.107 28.573 ( -0.038 -6.200 0.417) 6.214 28.812 ( 8.104 -2.140 2.753) 8.822 28.933 ( 2.919 -13.202 1.112) 13.566 29.186 ( 10.391 1.148 0.346) 10.460 29.317 ( 5.944 0.685 0.442) 5.999 29.405 ( 2.809 1.526 -0.263) 3.208 29.458 ( 0.225 2.156 -8.710) 8.976 29.737 ( 0.323 4.208 5.257) 6.742 29.924 ( -1.688 1.033 3.998) 4.461 30.140 ( -2.003 2.705 7.507) 8.227 30.319 ( -6.575 -3.644 -2.539) 7.934 30.584 ( 5.656 -1.162 -4.522) 7.334 30.862 ( -5.824 -6.626 1.924) 9.029 30.900 ( -2.235 0.721 -0.809) 2.484 31.145 ( -8.441 0.348 -1.877) 8.654 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -2.413 13.925 11.263) 18.071 1.662 ( 6.384 -3.132 -3.661) 7.998 1.779 ( 5.742 10.438 23.154) 26.039 1.951 ( 6.949 1.460 -1.532) 7.265 1.983 ( 3.571 -11.075 12.079) 16.772 2.036 ( 4.254 -6.280 -6.287) 9.852 2.283 ( 0.578 6.044 -11.276) 12.806 2.363 ( -1.837 -2.614 -10.791) 11.254 2.496 ( 4.487 2.484 7.263) 8.892 2.543 ( -6.947 8.794 9.820) 14.900 2.600 ( 3.786 -5.192 6.043) 8.821 2.703 ( -8.179 -7.472 -1.587) 11.191 2.794 ( -0.158 4.568 6.557) 7.993 2.854 ( 5.153 -1.028 6.575) 8.417 2.941 ( 1.631 1.713 3.199) 3.978 2.981 ( 0.204 -2.849 1.176) 3.089 3.017 ( -0.778 4.155 0.531) 4.261 3.057 ( -1.647 -1.016 -3.876) 4.332 3.081 ( -5.001 1.322 -4.594) 6.918 3.125 ( -1.225 -0.344 -5.035) 5.194 3.337 ( 0.955 5.832 4.881) 7.665 3.447 ( -0.326 2.894 1.111) 3.117 3.534 ( 1.680 -0.367 -0.619) 1.828 3.627 ( -3.127 -2.623 -5.083) 6.519 3.825 ( 6.697 0.213 7.941) 10.390 3.847 ( -0.845 0.009 6.214) 6.271 3.877 ( 2.749 5.220 1.323) 6.046 3.965 ( -3.118 -0.703 -0.916) 3.325 4.056 ( -6.054 -1.139 -8.522) 10.515 4.090 ( -4.444 -3.139 -8.319) 9.940 4.191 ( 0.754 4.287 -0.813) 4.428 4.223 ( 1.723 2.373 -4.303) 5.207 4.301 ( 3.171 0.021 2.414) 3.985 4.309 ( 3.638 -0.266 3.334) 4.941 4.426 ( -0.464 3.520 -1.296) 3.780 4.459 ( -2.121 -3.364 -1.119) 4.131 4.474 ( -0.928 -3.548 -3.496) 5.066 4.516 ( 1.270 -5.824 -6.410) 8.753 4.752 ( 0.344 -0.781 5.796) 5.858 4.799 ( -2.015 -4.371 1.468) 5.032 4.887 ( 0.436 2.575 0.251) 2.623 4.912 ( -0.797 0.543 -1.219) 1.555 5.071 ( 2.666 0.193 0.304) 2.691 5.097 ( -0.220 -2.580 0.136) 2.593 5.190 ( 2.673 5.450 1.533) 6.261 5.232 ( -0.673 2.310 -2.224) 3.276 5.344 ( -1.205 1.424 -3.974) 4.390 5.376 ( -4.569 -0.688 -5.739) 7.368 5.482 ( -0.697 4.073 -1.720) 4.475 5.511 ( 0.217 1.892 -3.292) 3.803 5.602 ( -2.530 -0.730 1.535) 3.048 5.631 ( -0.744 1.411 -1.436) 2.146 5.659 ( -0.269 -5.754 3.285) 6.631 5.732 ( -0.732 -7.708 -3.627) 8.550 5.848 ( 1.399 -0.606 -0.522) 1.611 5.878 ( 0.829 -3.310 -3.350) 4.782 5.959 ( 0.435 -0.253 -1.742) 1.813 5.971 ( 1.402 -1.403 -3.071) 3.656 6.205 ( 1.008 -0.422 2.596) 2.816 6.220 ( 0.597 -2.200 0.844) 2.431 6.378 ( -1.858 0.993 -1.120) 2.386 6.390 ( -0.939 -0.215 -1.876) 2.109 6.602 ( -0.228 1.833 2.346) 2.985 6.616 ( 1.349 0.558 1.038) 1.791 6.921 ( -4.990 2.151 6.230) 8.267 6.973 ( -2.270 -3.093 7.706) 8.608 7.003 ( 5.273 3.151 -1.755) 6.389 7.079 ( 3.252 -4.494 -2.338) 6.019 7.346 ( 0.799 5.500 0.668) 5.597 7.387 ( 0.165 4.694 -3.601) 5.918 7.422 ( 3.151 -2.390 1.040) 4.089 7.453 ( -2.509 -2.214 -2.337) 4.082 7.757 ( 0.255 -0.052 2.734) 2.746 7.762 ( 0.171 -0.531 1.978) 2.055 7.913 ( -0.180 1.399 0.673) 1.563 7.922 ( -0.296 0.663 -0.827) 1.100 8.316 ( -3.424 1.656 2.376) 4.484 8.347 ( -0.183 -0.698 -0.360) 0.807 8.587 ( -1.059 3.557 2.448) 4.446 8.661 ( 3.998 -0.033 2.345) 4.635 8.668 ( 2.633 -0.036 -5.375) 5.985 8.713 ( -1.319 0.145 -2.825) 3.121 8.827 ( -1.562 2.851 0.813) 3.351 8.850 ( 1.729 -0.375 -0.273) 1.790 8.888 ( -2.452 1.179 2.851) 3.941 8.961 ( 4.493 -3.907 -3.132) 6.727 9.074 ( -5.145 2.907 3.137) 6.691 9.148 ( 3.313 -0.903 -3.473) 4.884 9.210 ( -0.004 -0.574 0.951) 1.111 9.260 ( -1.078 -1.308 -3.542) 3.926 9.439 ( 0.542 -1.305 1.242) 1.881 9.493 ( -0.663 -6.567 -3.647) 7.541 9.608 ( 1.123 2.114 1.615) 2.887 9.631 ( -0.554 0.057 -0.073) 0.561 9.901 ( -1.035 4.698 3.046) 5.694 9.974 ( 2.062 -1.933 -3.475) 4.479 10.082 ( 1.093 -0.933 0.677) 1.588 10.106 ( -0.986 -3.690 -1.475) 4.094 10.371 ( -2.304 -0.486 2.242) 3.251 10.384 ( 0.744 -1.608 0.890) 1.983 10.660 ( 1.564 2.052 3.673) 4.489 10.712 ( 0.005 -0.991 -0.915) 1.349 10.792 ( -0.376 -4.385 1.040) 4.522 10.819 ( -0.661 -4.834 -1.610) 5.137 11.136 ( 2.825 4.156 4.095) 6.482 11.186 ( 4.960 -1.261 4.131) 6.577 11.244 ( -2.842 3.204 -5.058) 6.628 11.287 ( -5.125 -1.309 -4.676) 7.060 11.947 ( -1.752 -0.280 1.741) 2.486 11.960 ( 0.063 -1.127 0.275) 1.162 12.102 ( -0.946 -1.926 0.127) 2.149 12.124 ( 1.470 -3.851 -2.129) 4.640 12.430 ( 1.094 1.992 3.121) 3.861 12.447 ( -3.309 0.348 1.609) 3.696 12.513 ( 0.463 1.753 2.016) 2.711 12.545 ( 1.600 -1.552 -1.272) 2.567 12.624 ( -1.156 2.556 0.936) 2.957 12.644 ( 1.254 1.370 0.401) 1.900 12.750 ( 2.676 3.431 0.762) 4.417 12.800 ( 2.537 -2.374 -3.097) 4.654 12.861 ( -5.022 5.227 3.150) 7.903 12.932 ( -1.487 2.082 -2.464) 3.552 13.125 ( 1.522 -1.979 1.939) 3.161 13.140 ( -2.120 -0.768 -0.093) 2.257 13.220 ( -3.178 0.293 2.326) 3.950 13.274 ( 1.014 -4.713 -1.559) 5.066 13.418 ( 2.373 1.045 2.513) 3.611 13.462 ( 1.221 -3.959 -1.265) 4.332 13.605 ( -6.102 1.407 4.680) 7.818 13.641 ( -6.430 -1.812 2.334) 7.076 13.733 ( 8.354 2.914 -3.685) 9.585 13.772 ( 7.281 -1.436 -5.511) 9.243 14.229 ( 2.990 2.484 8.993) 9.797 14.273 ( 1.541 -2.268 6.513) 7.067 14.412 ( -0.553 3.328 -5.931) 6.823 14.455 ( -3.298 -0.490 -8.444) 9.078 14.564 ( -0.901 11.306 1.989) 11.515 14.636 ( -0.305 9.510 -5.550) 11.015 14.757 ( -0.475 -8.891 1.466) 9.024 14.801 ( -0.461 -7.830 -3.569) 8.617 15.222 ( 2.592 6.176 0.805) 6.746 15.267 ( -1.656 1.606 -3.092) 3.858 15.425 ( 2.315 2.414 -0.462) 3.376 15.437 ( -1.073 1.576 -2.246) 2.946 15.711 ( 2.127 4.186 1.023) 4.806 15.740 ( -2.343 4.959 -0.477) 5.505 15.779 ( -5.665 -3.665 0.570) 6.771 15.835 ( 1.269 -7.552 -3.836) 8.565 16.169 ( -2.466 -2.842 2.910) 4.757 16.177 ( -0.033 -3.164 2.685) 4.150 16.257 ( -2.409 1.879 1.684) 3.488 16.303 ( 3.609 -2.805 -2.093) 5.027 16.644 ( 1.987 1.669 -0.946) 2.762 16.647 ( 0.324 1.419 -1.000) 1.766 16.785 ( -2.029 0.658 -1.093) 2.397 16.792 ( -0.249 0.080 -1.735) 1.755 19.229 ( -2.870 4.608 1.061) 5.532 19.267 ( 0.642 1.984 -2.893) 3.567 19.467 ( 0.151 -3.416 2.101) 4.013 19.513 ( 1.473 -6.885 -2.634) 7.517 21.080 ( 1.746 7.113 1.724) 7.525 21.104 ( -2.159 5.938 -0.758) 6.364 21.202 ( 2.649 -5.604 1.351) 6.344 21.219 ( -2.564 -6.718 -0.083) 7.191 25.069 ( -0.361 1.041 2.091) 2.363 25.092 ( -0.337 -1.493 0.146) 1.537 25.396 ( 0.396 -0.565 1.945) 2.064 25.413 ( -1.153 -2.335 0.542) 2.660 26.013 ( -0.021 2.551 -0.747) 2.658 26.025 ( -0.428 1.351 -1.753) 2.254 26.228 ( -0.414 0.382 0.648) 0.859 26.232 ( -0.108 -0.073 0.345) 0.369 26.681 ( 5.272 0.307 3.480) 6.324 26.700 ( 1.625 -1.532 1.696) 2.804 27.041 ( -1.731 0.145 -1.789) 2.494 27.049 ( -1.971 -0.694 -2.437) 3.211 27.225 ( -1.330 4.786 5.405) 7.341 27.299 ( 0.328 -1.371 -0.213) 1.426 27.374 ( -2.074 -0.155 0.351) 2.110 27.421 ( 0.095 -3.367 -3.017) 4.522 27.648 ( 2.097 6.390 2.730) 7.259 27.706 ( 0.139 2.277 -2.137) 3.126 27.875 ( 0.300 -0.235 0.536) 0.658 27.935 ( -3.867 -4.903 -4.568) 7.736 28.260 ( 0.869 4.031 0.317) 4.136 28.270 ( -1.067 4.476 -0.683) 4.651 28.369 ( -0.505 -3.616 1.927) 4.129 28.398 ( -1.341 -5.077 -0.699) 5.298 28.494 ( -0.187 3.631 2.529) 4.429 28.531 ( 1.554 0.712 -0.811) 1.892 28.796 ( -0.197 -4.671 1.423) 4.887 28.831 ( 1.732 -6.892 -1.377) 7.238 29.315 ( -5.730 4.331 4.471) 8.460 29.388 ( -2.266 -3.119 0.805) 3.938 29.414 ( 3.644 3.894 -2.702) 5.978 29.463 ( 5.685 -0.957 -3.772) 6.889 29.909 ( -0.925 1.812 2.207) 3.001 29.927 ( 4.192 -0.030 0.461) 4.217 30.184 ( -2.802 1.819 5.139) 6.130 30.221 ( -0.628 -2.116 1.973) 2.960 30.727 ( -0.251 3.122 0.453) 3.165 30.753 ( -0.365 1.732 -1.391) 2.251 30.876 ( -0.861 -3.054 -2.067) 3.787 30.909 ( 4.485 -5.227 -4.926) 8.468 ======================= Grid point 102 (57/63) ======================= q-point: ( 0.12 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.326 12.086 2.535) 12.567 1.710 ( 6.623 -1.280 -12.390) 14.107 1.874 ( -5.302 7.594 -12.111) 15.246 1.909 ( -3.741 2.374 -10.214) 11.133 1.998 ( 1.770 0.543 2.094) 2.795 2.084 ( 1.110 -7.910 -10.717) 13.366 2.139 ( -3.008 6.598 -0.522) 7.270 2.284 ( -1.619 -3.521 5.413) 6.658 2.438 ( -8.801 -0.135 -2.256) 9.087 2.511 ( -8.843 -8.627 -2.638) 12.633 2.628 ( 2.102 3.312 3.637) 5.350 2.719 ( 0.018 -6.021 6.162) 8.616 2.834 ( -2.236 1.311 -1.757) 3.132 2.888 ( -1.733 -4.229 -2.685) 5.301 2.936 ( -1.613 2.834 0.726) 3.341 2.981 ( 0.436 -0.984 -3.992) 4.134 3.039 ( 3.439 2.400 2.670) 4.971 3.078 ( 4.285 -2.460 3.086) 5.825 3.125 ( 5.720 4.567 8.172) 10.971 3.167 ( 6.541 -0.416 1.447) 6.712 3.403 ( 1.403 7.692 -3.434) 8.540 3.436 ( 2.234 7.366 2.442) 8.076 3.536 ( 1.306 0.851 -4.384) 4.653 3.624 ( 2.821 -4.787 4.622) 7.227 3.807 ( -4.529 7.029 -5.406) 9.957 3.838 ( -1.444 5.471 -1.052) 5.755 3.895 ( -2.611 -1.138 -1.529) 3.233 3.984 ( 3.515 -7.297 -0.363) 8.107 4.069 ( 1.873 -0.479 6.627) 6.903 4.095 ( 6.762 -3.319 7.500) 10.629 4.199 ( 1.157 5.193 -1.043) 5.421 4.233 ( 4.352 4.137 -0.965) 6.082 4.306 ( -0.296 1.526 -4.484) 4.746 4.323 ( -0.306 -5.447 -5.277) 7.591 4.414 ( -2.488 -1.487 0.525) 2.945 4.442 ( 2.032 2.296 2.671) 4.066 4.492 ( 1.525 -5.230 -0.437) 5.465 4.508 ( 3.463 -3.767 1.197) 5.255 4.742 ( -3.976 2.136 0.969) 4.616 4.809 ( -0.905 -4.534 3.625) 5.875 4.882 ( -0.583 2.013 -1.292) 2.462 4.929 ( 0.361 -2.036 -1.300) 2.442 5.059 ( 0.483 1.326 -1.195) 1.850 5.113 ( 1.887 -1.302 -2.555) 3.433 5.140 ( -4.717 4.296 -0.537) 6.402 5.226 ( -2.635 -3.034 -1.803) 4.404 5.297 ( 0.480 6.807 5.133) 8.539 5.357 ( -0.875 0.116 4.095) 4.189 5.439 ( -3.110 2.719 1.526) 4.404 5.482 ( -1.911 -2.144 -1.352) 3.174 5.589 ( -1.483 2.257 3.599) 4.499 5.623 ( -1.019 -0.340 0.264) 1.106 5.665 ( -1.036 -5.448 2.538) 6.098 5.699 ( -0.662 -6.125 -0.955) 6.234 5.894 ( 3.495 -0.593 -2.036) 4.089 5.908 ( 4.046 -2.685 0.679) 4.903 5.926 ( -0.419 1.204 -1.329) 1.842 5.969 ( 0.867 -3.191 -1.614) 3.680 6.200 ( -2.239 -0.178 -1.765) 2.857 6.221 ( -0.564 -2.249 -0.823) 2.460 6.367 ( -0.639 1.083 2.808) 3.076 6.383 ( 0.124 -0.857 2.038) 2.215 6.595 ( -1.641 2.119 0.044) 2.681 6.617 ( -0.892 0.034 -1.349) 1.618 6.872 ( -5.847 3.626 3.218) 7.596 6.952 ( -4.702 -4.549 2.344) 6.949 7.050 ( 3.137 3.609 -3.653) 6.017 7.119 ( 2.918 -2.949 -5.071) 6.552 7.334 ( -0.896 3.538 -0.786) 3.733 7.357 ( -2.388 2.570 -0.696) 3.577 7.400 ( 0.337 2.344 -1.510) 2.808 7.478 ( 2.282 -4.491 1.572) 5.277 7.749 ( -1.536 1.161 -0.924) 2.136 7.789 ( 0.500 -2.872 0.038) 2.915 7.896 ( -1.752 3.072 -0.659) 3.597 7.918 ( -0.252 0.259 0.775) 0.855 8.268 ( -4.110 0.914 1.079) 4.346 8.320 ( -3.854 -3.803 1.790) 5.703 8.511 ( -6.129 3.529 0.138) 7.074 8.564 ( -6.785 -0.948 -2.030) 7.145 8.698 ( -0.795 3.279 -0.008) 3.374 8.729 ( 1.619 0.238 0.073) 1.638 8.799 ( 0.245 5.170 -1.822) 5.487 8.834 ( -4.435 1.028 2.786) 5.337 8.934 ( -1.009 2.210 -1.041) 2.643 8.997 ( 2.039 -3.432 -0.872) 4.086 9.052 ( 3.346 0.768 -0.199) 3.438 9.148 ( -2.116 -7.437 0.733) 7.767 9.190 ( 0.949 3.229 0.198) 3.372 9.239 ( 0.831 -2.388 -0.114) 2.531 9.483 ( 4.852 0.680 -0.393) 4.915 9.519 ( 1.950 -3.790 0.445) 4.286 9.600 ( -1.479 -0.927 -1.046) 2.035 9.632 ( 0.388 -1.142 0.376) 1.263 9.929 ( 0.443 5.135 2.497) 5.727 9.997 ( 5.461 -0.900 -4.167) 6.928 10.084 ( -0.080 -1.351 -0.807) 1.575 10.110 ( 1.271 -2.351 0.974) 2.844 10.336 ( -3.162 2.255 1.173) 4.057 10.392 ( -0.733 -2.888 0.760) 3.075 10.659 ( -2.030 -0.973 -2.738) 3.545 10.709 ( -1.223 -4.074 -1.674) 4.571 10.772 ( -0.204 1.314 2.569) 2.892 10.857 ( 2.635 -5.868 1.859) 6.696 11.075 ( -5.776 3.514 -2.694) 7.277 11.133 ( -4.711 -2.629 -4.479) 7.012 11.280 ( 4.213 5.599 2.617) 7.480 11.344 ( 5.503 -1.146 4.185) 7.008 11.953 ( 0.314 0.509 1.560) 1.671 11.985 ( 1.329 -2.887 1.629) 3.571 12.103 ( 1.146 -0.021 -0.028) 1.146 12.146 ( 3.025 -4.627 -1.314) 5.682 12.388 ( -3.475 4.811 -0.499) 5.956 12.471 ( -1.389 -4.396 1.726) 4.923 12.511 ( -3.218 2.599 1.241) 4.319 12.544 ( -0.743 -0.621 -0.415) 1.053 12.595 ( 0.179 4.222 -0.267) 4.234 12.632 ( 0.210 -0.331 -2.780) 2.808 12.752 ( -1.800 3.279 -2.160) 4.319 12.810 ( 1.306 -2.386 -3.733) 4.619 12.876 ( 0.050 4.940 4.998) 7.028 12.945 ( 1.688 -0.583 4.003) 4.383 13.045 ( -5.362 1.466 -0.015) 5.559 13.142 ( -2.576 -3.565 0.407) 4.418 13.214 ( -0.686 0.978 2.026) 2.352 13.281 ( -2.499 -8.455 0.330) 8.822 13.408 ( -2.105 2.079 -0.717) 3.044 13.473 ( 1.175 -4.306 -1.011) 4.576 13.531 ( -2.877 4.894 4.992) 7.560 13.604 ( -1.583 -2.851 2.933) 4.386 13.790 ( 4.383 2.576 -7.838) 9.342 13.817 ( 4.757 0.147 -6.888) 8.372 14.269 ( -3.592 4.216 -8.627) 10.252 14.319 ( 0.765 -0.620 -3.075) 3.229 14.353 ( -2.523 2.693 2.261) 4.328 14.407 ( 0.145 -0.702 7.320) 7.355 14.587 ( 1.188 8.107 0.134) 8.195 14.649 ( 5.578 7.975 2.290) 9.998 14.757 ( -1.683 -8.071 -0.810) 8.285 14.774 ( 0.411 -6.050 2.299) 6.486 15.164 ( -3.744 8.509 -1.951) 9.499 15.285 ( 1.354 -2.025 0.387) 2.466 15.390 ( -1.658 3.473 -1.434) 4.107 15.440 ( 0.072 -1.228 -0.806) 1.471 15.668 ( -3.297 4.147 0.439) 5.316 15.735 ( -4.281 -1.813 1.702) 4.951 15.781 ( 2.437 3.989 3.091) 5.604 15.866 ( 4.980 -4.752 1.540) 7.053 16.147 ( -3.111 0.550 3.225) 4.514 16.190 ( -2.962 -3.636 2.732) 5.427 16.271 ( 4.059 2.789 -0.696) 4.974 16.357 ( 4.411 -5.390 -1.649) 7.157 16.639 ( 1.140 3.387 -2.087) 4.139 16.683 ( 3.607 -0.643 -2.499) 4.435 16.783 ( 1.374 -0.457 1.506) 2.089 16.801 ( 1.269 -1.859 1.978) 2.996 19.227 ( -0.088 4.713 2.891) 5.530 19.285 ( 2.462 0.150 0.314) 2.486 19.483 ( 0.122 -3.681 0.618) 3.735 19.509 ( 1.135 -4.922 -2.850) 5.800 21.051 ( -1.652 5.057 -0.444) 5.338 21.136 ( -1.891 1.157 -0.429) 2.258 21.155 ( 0.860 0.648 0.958) 1.441 21.261 ( 1.420 -5.398 0.566) 5.611 25.079 ( -0.578 0.228 1.143) 1.301 25.083 ( -0.286 -0.166 -0.239) 0.408 25.413 ( 1.317 0.424 -0.076) 1.386 25.451 ( 3.159 -3.828 1.223) 5.111 26.000 ( -0.682 2.809 0.254) 2.902 26.021 ( 0.171 0.815 0.536) 0.990 26.234 ( 0.176 0.365 0.556) 0.688 26.236 ( -0.012 0.260 0.129) 0.291 26.670 ( -0.951 2.611 -5.813) 6.443 26.728 ( 1.318 -3.637 -4.860) 6.212 27.079 ( 4.323 -0.091 2.423) 4.957 27.082 ( 3.779 -0.455 2.415) 4.508 27.245 ( -0.780 2.571 3.091) 4.095 27.289 ( 0.060 -1.072 -1.073) 1.517 27.384 ( 1.160 0.430 3.863) 4.056 27.425 ( 1.889 -3.277 0.149) 3.785 27.636 ( -1.446 7.016 -3.030) 7.778 27.734 ( 1.950 -1.636 -2.531) 3.590 27.857 ( 0.161 4.329 3.008) 5.274 27.957 ( 3.761 -4.808 4.820) 7.778 28.232 ( -1.734 5.238 0.193) 5.521 28.292 ( 1.321 2.001 0.050) 2.398 28.343 ( -3.796 -0.061 1.332) 4.023 28.409 ( 0.422 -2.778 1.542) 3.206 28.459 ( -3.680 2.282 -1.631) 4.627 28.544 ( 0.651 -1.020 -1.108) 1.641 28.721 ( -8.433 -4.864 -0.614) 9.754 28.762 ( -5.993 -7.611 -1.685) 9.833 29.224 ( -9.232 4.185 3.043) 10.583 29.292 ( -8.969 -2.910 2.321) 9.711 29.434 ( 0.096 4.072 -3.330) 5.261 29.481 ( 2.342 -0.905 -5.167) 5.745 29.895 ( 1.129 5.203 -1.736) 5.600 29.975 ( 1.495 -2.955 -2.367) 4.070 30.211 ( -0.896 1.633 5.482) 5.790 30.252 ( 1.494 -2.332 0.826) 2.890 30.552 ( -9.138 4.729 0.204) 10.291 30.685 ( -4.794 -9.486 -0.059) 10.629 31.004 ( 14.484 6.193 -2.316) 15.922 31.115 ( 14.618 -5.725 -3.373) 16.058 ======================= Grid point 103 (58/63) ======================= q-point: ( 0.25 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -1.142 10.712 -18.575) 21.473 1.572 ( 1.374 -4.835 -10.680) 11.804 1.806 ( 4.961 4.762 -4.993) 8.499 1.889 ( 11.419 -1.927 -9.142) 14.754 2.021 ( -5.490 10.723 10.350) 15.882 2.056 ( 5.409 0.851 -1.868) 5.785 2.179 ( -10.194 4.094 2.186) 11.201 2.216 ( 2.963 4.481 2.832) 6.073 2.266 ( -7.221 -6.230 1.528) 9.659 2.445 ( 0.615 -14.325 0.045) 14.338 2.634 ( -1.899 4.658 -0.471) 5.052 2.716 ( -3.612 -4.460 -0.627) 5.773 2.795 ( -0.959 -0.087 0.857) 1.289 2.806 ( -2.767 0.011 2.684) 3.855 2.969 ( 2.806 -2.039 -0.841) 3.569 3.003 ( 2.368 -5.440 0.472) 5.951 3.098 ( 2.563 4.247 1.181) 5.100 3.162 ( 3.942 -2.591 0.383) 4.733 3.276 ( 3.610 4.406 1.839) 5.986 3.297 ( 4.435 0.810 1.633) 4.795 3.413 ( 7.315 3.027 -7.373) 10.818 3.472 ( 1.411 0.866 1.835) 2.471 3.590 ( 3.048 7.431 1.033) 8.098 3.681 ( 3.950 -2.299 -1.184) 4.721 3.726 ( -2.068 4.695 -0.508) 5.155 3.824 ( -5.149 -2.798 0.658) 5.897 3.880 ( 5.559 10.011 1.285) 11.522 4.058 ( 5.208 -3.610 -5.053) 8.105 4.103 ( -2.101 1.398 1.257) 2.820 4.158 ( -0.095 3.704 -1.919) 4.173 4.195 ( -0.379 0.203 -2.364) 2.403 4.237 ( -1.723 -5.176 -4.415) 7.018 4.308 ( 0.632 -0.948 -0.986) 1.507 4.325 ( 4.125 -1.271 0.892) 4.408 4.433 ( 2.844 0.379 0.024) 2.870 4.465 ( -0.713 -3.263 -2.026) 3.907 4.516 ( 2.899 1.448 0.725) 3.321 4.587 ( 1.540 -3.395 1.161) 3.904 4.685 ( -4.898 8.057 3.984) 10.236 4.809 ( -4.228 -5.318 4.479) 8.138 4.839 ( -2.766 -1.804 -2.388) 4.075 4.874 ( -1.269 -4.243 -3.295) 5.520 5.050 ( -3.576 0.524 -0.566) 3.658 5.070 ( -4.634 -0.958 -0.854) 4.809 5.129 ( 4.349 5.855 1.402) 7.427 5.215 ( 2.090 -3.341 -1.032) 4.074 5.353 ( -2.488 4.350 6.843) 8.482 5.365 ( -1.366 3.423 2.798) 4.628 5.411 ( -5.535 -1.823 3.389) 6.741 5.437 ( -0.130 -3.630 2.752) 4.557 5.563 ( -4.042 1.361 1.954) 4.691 5.591 ( -3.008 -2.950 -0.407) 4.233 5.685 ( 0.823 -2.385 0.327) 2.544 5.700 ( -0.287 -2.725 1.463) 3.106 5.888 ( -2.376 1.422 -0.433) 2.803 5.935 ( -2.001 -3.521 0.049) 4.051 5.957 ( 4.502 3.138 -1.700) 5.745 6.023 ( 5.518 -4.058 0.474) 6.866 6.133 ( -3.460 1.849 -0.170) 3.927 6.204 ( -0.147 -5.575 -0.010) 5.577 6.388 ( -0.781 1.130 3.400) 3.667 6.414 ( -0.686 -1.386 4.207) 4.482 6.550 ( -2.813 2.135 -1.275) 3.755 6.584 ( -1.195 -1.409 -1.140) 2.171 6.802 ( -3.781 6.483 0.708) 7.538 6.914 ( -1.779 -3.483 2.144) 4.460 6.991 ( -3.490 2.498 -6.095) 7.455 7.071 ( -0.475 -3.906 -5.890) 7.084 7.323 ( 0.517 1.970 -0.405) 2.077 7.338 ( 0.251 0.529 0.599) 0.838 7.416 ( 1.387 6.099 0.695) 6.293 7.541 ( 2.962 -6.015 1.201) 6.812 7.684 ( -3.162 3.158 -3.332) 5.574 7.772 ( -0.469 -5.200 -3.108) 6.076 7.837 ( -3.851 4.163 -1.884) 5.976 7.903 ( -1.755 -2.644 -1.300) 3.430 8.219 ( -1.376 0.322 0.112) 1.418 8.256 ( -3.338 -3.265 -0.714) 4.723 8.447 ( -1.828 2.788 2.025) 3.900 8.465 ( -3.440 2.717 -0.433) 4.404 8.619 ( -8.606 7.879 2.412) 11.915 8.725 ( -5.050 -0.780 0.839) 5.178 8.753 ( -3.898 0.458 2.182) 4.491 8.833 ( 2.215 -2.894 -1.566) 3.967 8.875 ( -0.589 4.520 -0.630) 4.601 8.994 ( -2.508 -5.816 0.618) 6.363 9.100 ( 3.188 3.813 0.474) 4.993 9.195 ( 2.416 -5.463 4.116) 7.254 9.257 ( 3.633 1.227 1.470) 4.107 9.270 ( 3.474 0.501 -0.347) 3.527 9.518 ( -1.032 0.980 -0.126) 1.429 9.562 ( 4.283 0.961 -1.098) 4.525 9.585 ( 0.856 -6.055 0.544) 6.139 9.634 ( -0.242 -3.170 -0.726) 3.261 9.972 ( 2.104 6.563 2.283) 7.261 10.070 ( 5.671 -3.571 -2.364) 7.106 10.086 ( 1.984 3.461 -1.566) 4.286 10.157 ( 2.231 -2.747 2.622) 4.404 10.296 ( -2.032 4.794 -0.192) 5.210 10.386 ( -0.406 -3.662 0.551) 3.725 10.593 ( -2.207 -2.272 -2.260) 3.892 10.632 ( -4.372 -5.608 -1.541) 7.276 10.803 ( -0.019 3.440 2.021) 3.990 10.914 ( -0.055 -7.661 3.143) 8.281 10.992 ( -0.119 3.900 -1.014) 4.032 11.056 ( 0.324 -2.977 -2.037) 3.622 11.359 ( 1.899 6.914 2.052) 7.458 11.451 ( 2.406 -2.238 2.629) 4.208 11.973 ( 0.033 0.529 0.680) 0.863 12.010 ( -0.427 -3.328 0.746) 3.437 12.142 ( 3.335 1.639 -0.721) 3.785 12.188 ( 3.323 -2.811 -2.453) 4.996 12.300 ( -4.173 5.204 -4.032) 7.794 12.392 ( -5.136 -4.413 -4.127) 7.930 12.443 ( -5.119 5.724 1.453) 7.816 12.532 ( -2.529 -1.238 3.033) 4.138 12.598 ( 1.418 -0.041 -4.827) 5.031 12.612 ( 0.468 -0.856 -3.931) 4.050 12.722 ( -0.753 0.399 -0.374) 0.931 12.753 ( -1.691 -2.958 -3.054) 4.575 12.877 ( -3.360 4.731 3.125) 6.591 13.010 ( -4.206 -5.848 4.532) 8.510 13.021 ( -1.208 -1.747 1.080) 2.382 13.051 ( -0.483 -1.977 2.437) 3.176 13.217 ( -1.017 2.997 1.612) 3.552 13.271 ( 0.301 -3.302 2.233) 3.998 13.405 ( -1.344 3.049 4.047) 5.242 13.486 ( 0.531 -5.292 2.303) 5.796 13.595 ( 5.936 2.484 -0.922) 6.500 13.632 ( 3.365 -1.556 -0.878) 3.810 13.757 ( 2.515 3.608 -7.673) 8.844 13.807 ( 3.230 -1.060 -7.038) 7.816 14.113 ( -4.008 7.470 -7.904) 11.591 14.240 ( -3.184 -6.102 -5.677) 8.922 14.353 ( -3.601 7.604 6.483) 10.622 14.424 ( -5.184 3.305 5.343) 8.145 14.624 ( 1.523 0.658 0.879) 1.878 14.708 ( -2.387 -5.954 -0.369) 6.425 14.790 ( 3.929 3.493 1.934) 5.602 14.835 ( 4.920 0.734 1.054) 5.085 15.122 ( 0.246 8.529 0.054) 8.533 15.294 ( 0.151 -7.153 -0.573) 7.177 15.364 ( -0.347 3.656 0.204) 3.679 15.428 ( -0.227 -3.831 -0.615) 3.886 15.614 ( -3.625 3.522 0.310) 5.064 15.662 ( -5.621 -2.206 1.017) 6.123 15.869 ( 3.452 9.153 3.479) 10.382 15.981 ( 3.741 -2.677 4.598) 6.504 16.121 ( -5.266 3.335 5.023) 8.005 16.161 ( -1.839 -1.825 1.235) 2.870 16.334 ( 3.803 1.462 -1.407) 4.310 16.417 ( 4.595 -7.716 -1.886) 9.176 16.633 ( 0.631 5.278 -2.525) 5.885 16.716 ( 3.577 -3.634 -3.098) 5.967 16.840 ( 2.587 -0.709 2.656) 3.775 16.877 ( 3.508 -4.641 3.299) 6.688 19.256 ( -0.223 4.448 2.417) 5.067 19.329 ( 0.629 -2.357 1.589) 2.912 19.486 ( 0.594 -3.098 -0.906) 3.282 19.496 ( -0.474 -3.290 -1.015) 3.475 21.040 ( 0.736 3.706 -0.222) 3.785 21.093 ( -1.100 -1.680 1.082) 2.281 21.204 ( 1.731 3.708 1.234) 4.274 21.267 ( -1.075 -2.420 0.399) 2.678 25.070 ( -0.302 0.215 -0.778) 0.862 25.076 ( -0.703 -0.382 -0.126) 0.810 25.440 ( 2.112 2.346 -1.048) 3.326 25.509 ( 2.498 -5.224 -0.533) 5.815 26.002 ( -0.206 2.800 1.550) 3.207 26.030 ( -0.186 0.009 1.242) 1.256 26.222 ( -1.198 1.062 -0.891) 1.832 26.232 ( -1.026 -0.120 -0.156) 1.045 26.623 ( 2.770 3.751 -5.445) 7.169 26.696 ( 2.420 -3.986 -6.436) 7.948 27.101 ( -0.904 2.517 -1.880) 3.269 27.155 ( 0.199 -3.194 0.784) 3.295 27.279 ( 1.897 0.942 0.955) 2.323 27.325 ( 3.611 -3.553 1.010) 5.165 27.472 ( 2.134 0.889 5.323) 5.803 27.493 ( 2.765 -1.412 5.009) 5.894 27.607 ( 3.192 4.735 -2.690) 6.312 27.684 ( -0.987 -3.413 -3.294) 4.845 27.999 ( 6.289 6.501 7.023) 11.452 28.065 ( 1.895 -1.429 4.258) 4.875 28.176 ( -6.918 6.222 -5.398) 10.757 28.224 ( -6.591 4.367 1.671) 8.081 28.322 ( 1.094 5.038 0.353) 5.167 28.369 ( -1.933 0.069 -2.756) 3.367 28.438 ( 0.329 -6.069 1.170) 6.189 28.520 ( -4.052 -9.558 2.500) 10.678 28.576 ( -3.651 2.045 -0.317) 4.197 28.669 ( -3.740 -6.168 0.372) 7.223 29.063 ( -10.165 5.136 -0.580) 11.404 29.150 ( -8.483 -4.045 0.035) 9.398 29.369 ( -3.829 6.487 -0.349) 7.541 29.473 ( 1.535 -4.742 -2.550) 5.599 29.902 ( 1.915 4.583 -3.813) 6.262 29.963 ( 0.268 -1.068 -1.838) 2.142 30.207 ( -3.806 1.466 2.271) 4.668 30.276 ( -3.503 -6.484 4.780) 8.784 30.477 ( 0.234 9.411 2.099) 9.645 30.684 ( 2.913 -12.874 0.708) 13.219 31.198 ( 11.359 5.706 -4.554) 13.503 31.286 ( 9.799 -3.671 -5.100) 11.640 ======================= Grid point 104 (59/63) ======================= q-point: ( 0.38 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 19.215 8.277 8.469) 22.571 1.688 ( 14.020 -7.235 7.481) 17.461 1.893 ( 7.551 9.428 -0.953) 12.117 2.006 ( 4.138 1.864 2.767) 5.315 2.018 ( 2.337 4.871 -2.361) 5.896 2.087 ( -3.821 1.751 4.479) 6.142 2.168 ( -0.619 -1.320 10.247) 10.350 2.229 ( -1.890 -9.160 7.283) 11.854 2.308 ( 5.679 9.008 1.616) 10.771 2.485 ( 4.107 -8.539 -2.433) 9.782 2.632 ( 2.262 2.813 1.893) 4.076 2.681 ( -0.313 -2.228 3.159) 3.878 2.768 ( -2.429 1.009 -0.580) 2.693 2.817 ( -2.765 -2.222 4.126) 5.441 2.977 ( -1.124 -0.206 -2.201) 2.480 3.021 ( -1.133 -4.886 -0.293) 5.024 3.157 ( 3.193 3.101 -1.194) 4.608 3.214 ( 3.316 -2.384 -3.424) 5.329 3.297 ( -1.368 0.954 -1.358) 2.151 3.320 ( 0.351 -0.253 1.734) 1.787 3.481 ( 0.377 3.198 1.106) 3.405 3.546 ( 2.202 -1.343 4.417) 5.115 3.622 ( 8.361 9.842 -5.370) 13.986 3.744 ( -1.990 -1.706 3.237) 4.165 3.765 ( 3.803 0.475 1.664) 4.178 3.789 ( 4.385 2.880 -0.653) 5.287 3.959 ( 4.106 8.086 -4.505) 10.126 4.024 ( 1.044 3.051 -5.785) 6.623 4.077 ( 1.425 -2.809 -6.851) 7.541 4.090 ( -4.825 2.032 -4.404) 6.842 4.123 ( -1.596 -0.319 -2.426) 2.921 4.198 ( -1.838 -3.070 -1.922) 4.062 4.310 ( -2.013 3.162 -1.820) 4.167 4.380 ( 0.544 -4.353 -1.723) 4.713 4.386 ( -1.074 -1.866 -1.593) 2.678 4.428 ( -1.646 -0.669 -4.047) 4.420 4.545 ( 2.175 2.843 -3.415) 4.947 4.595 ( 0.076 1.110 -1.877) 2.182 4.666 ( -2.883 8.113 5.147) 10.031 4.715 ( -7.689 -7.097 1.931) 10.640 4.750 ( -5.035 -4.653 -1.922) 7.120 4.850 ( -2.433 -7.037 -0.389) 7.456 4.952 ( -4.180 1.661 0.155) 4.500 5.007 ( -2.499 -3.544 -0.229) 4.342 5.208 ( 0.620 2.468 -0.459) 2.586 5.251 ( 4.323 -0.212 0.304) 4.339 5.310 ( -3.521 4.956 0.114) 6.080 5.350 ( -1.866 2.086 0.989) 2.968 5.429 ( -0.593 0.834 5.738) 5.828 5.490 ( 0.968 -4.102 4.880) 6.448 5.545 ( -0.450 -0.153 2.139) 2.191 5.566 ( 0.048 -1.771 3.038) 3.517 5.664 ( -1.745 -0.877 -2.637) 3.281 5.685 ( -1.215 -2.916 -1.031) 3.323 5.791 ( -5.424 1.974 -3.862) 6.945 5.860 ( -3.755 -5.840 -3.374) 7.719 6.044 ( 3.846 3.288 3.230) 6.003 6.086 ( -1.879 1.219 3.316) 4.002 6.140 ( 5.017 -1.147 0.638) 5.186 6.210 ( 1.204 -6.069 -0.127) 6.188 6.411 ( -1.199 -0.124 2.976) 3.210 6.434 ( -2.386 -2.244 3.117) 4.522 6.489 ( -2.383 2.766 -0.047) 3.651 6.535 ( -2.662 -1.969 -1.101) 3.489 6.770 ( -1.501 6.738 1.778) 7.129 6.878 ( -2.878 0.947 -3.780) 4.845 6.934 ( 1.201 -1.793 1.707) 2.752 7.017 ( 0.066 -5.262 -3.493) 6.317 7.338 ( 1.030 1.316 -0.541) 1.756 7.358 ( 0.755 -0.617 1.519) 1.805 7.452 ( 0.739 7.211 2.763) 7.758 7.573 ( 0.994 4.735 -4.134) 6.364 7.611 ( -1.372 -5.384 0.373) 5.569 7.716 ( -1.109 -6.124 -5.655) 8.409 7.746 ( -3.289 3.186 -2.167) 5.065 7.841 ( -1.627 -5.525 -3.863) 6.935 8.215 ( 1.799 2.026 -2.532) 3.708 8.227 ( 0.035 0.432 -0.004) 0.433 8.414 ( -3.081 7.161 1.516) 7.942 8.469 ( -0.985 -0.720 2.524) 2.803 8.508 ( -4.055 6.685 2.318) 8.155 8.628 ( -5.333 0.899 0.012) 5.408 8.716 ( -3.430 -2.424 4.481) 6.142 8.823 ( -1.780 -7.396 -0.413) 7.618 8.917 ( 4.678 3.606 -1.482) 6.090 8.976 ( -0.511 -2.234 0.496) 2.345 9.159 ( 1.846 3.255 1.915) 4.204 9.234 ( -2.524 -3.564 4.244) 6.089 9.301 ( 0.873 2.905 1.070) 3.216 9.345 ( 4.003 -1.903 -1.845) 4.801 9.528 ( 0.917 4.848 2.980) 5.764 9.605 ( -0.145 -1.037 -1.182) 1.579 9.624 ( 3.135 -1.471 -1.060) 3.621 9.643 ( 3.028 -6.152 3.321) 7.619 10.022 ( 0.776 4.570 0.119) 4.637 10.073 ( -1.211 1.537 0.286) 1.978 10.159 ( 5.743 0.747 -2.309) 6.235 10.241 ( 3.180 -4.653 3.695) 6.739 10.267 ( -0.051 8.076 -0.876) 8.124 10.392 ( 0.579 -4.868 0.110) 4.904 10.553 ( -1.407 -3.757 -0.220) 4.018 10.557 ( -2.582 -4.027 0.427) 4.803 10.826 ( 1.021 2.107 2.137) 3.170 10.919 ( -2.377 -7.033 3.963) 8.415 11.044 ( 4.001 1.856 1.582) 4.686 11.092 ( 3.742 -2.324 1.143) 4.551 11.373 ( -1.192 6.409 -1.389) 6.665 11.456 ( -3.026 -1.569 -1.472) 3.713 11.956 ( -1.572 0.507 -0.842) 1.855 11.992 ( -0.593 -3.171 -0.940) 3.360 12.141 ( -3.007 6.303 -5.164) 8.686 12.181 ( 2.061 1.101 -2.393) 3.344 12.223 ( -0.943 -1.801 -3.173) 3.768 12.262 ( -3.429 -5.612 -5.625) 8.654 12.401 ( -0.760 3.840 1.052) 4.054 12.499 ( -3.817 -3.861 0.351) 5.440 12.552 ( -0.476 2.343 -2.428) 3.407 12.574 ( -1.638 0.078 -0.016) 1.640 12.690 ( 0.873 -0.982 -3.690) 3.917 12.723 ( -1.066 -3.989 -2.210) 4.683 12.879 ( -0.356 1.107 3.083) 3.295 12.927 ( -2.653 -2.964 0.322) 3.991 13.065 ( -0.339 0.101 3.734) 3.751 13.093 ( 0.565 -2.020 2.022) 2.913 13.227 ( -0.930 4.090 3.619) 5.540 13.291 ( -2.128 -3.084 4.897) 6.166 13.422 ( 0.315 2.705 -0.965) 2.889 13.510 ( -0.324 -6.329 0.854) 6.395 13.652 ( 2.250 1.128 -2.896) 3.836 13.667 ( 3.185 -0.694 -3.245) 4.599 13.803 ( 8.133 3.231 -0.896) 8.797 13.853 ( 7.380 -2.053 -2.315) 8.002 13.999 ( -1.152 7.248 -3.412) 8.093 14.128 ( -3.745 -5.546 -2.847) 7.272 14.341 ( -7.186 5.691 4.614) 10.263 14.354 ( -5.400 6.705 3.487) 9.289 14.623 ( -2.471 -0.240 -0.880) 2.634 14.660 ( 0.131 -1.834 -4.057) 4.454 14.840 ( 1.071 2.381 1.675) 3.102 14.913 ( 3.173 -1.913 -1.543) 4.014 15.160 ( 2.548 5.628 1.561) 6.372 15.285 ( 0.508 -7.154 -2.206) 7.504 15.386 ( 1.575 2.830 1.799) 3.705 15.429 ( 0.407 -2.441 0.609) 2.548 15.555 ( -2.747 2.522 -0.617) 3.780 15.575 ( -4.400 0.168 -0.487) 4.430 15.946 ( 1.582 10.414 3.001) 10.953 16.064 ( -3.975 5.855 3.658) 7.966 16.080 ( 0.738 -3.125 3.758) 4.942 16.155 ( -2.127 -3.139 3.632) 5.251 16.375 ( 2.990 2.472 -1.626) 4.206 16.460 ( 3.592 -6.747 -4.883) 9.071 16.625 ( -0.750 6.417 2.606) 6.966 16.744 ( 2.680 -5.760 -2.033) 6.670 16.906 ( 1.858 -1.266 1.568) 2.741 16.953 ( 2.653 -5.796 0.208) 6.378 19.267 ( -0.617 3.110 1.557) 3.532 19.328 ( -1.026 -2.771 -0.399) 2.982 19.471 ( -2.189 -2.235 1.087) 3.312 19.488 ( 0.982 -3.578 -1.674) 4.070 21.074 ( 2.614 4.175 1.311) 5.097 21.122 ( 1.242 -0.864 3.243) 3.579 21.230 ( -0.426 1.460 0.648) 1.653 21.243 ( -1.479 0.308 0.438) 1.573 25.053 ( -0.624 0.078 -0.965) 1.152 25.058 ( -0.488 -0.390 -1.249) 1.397 25.458 ( 1.351 2.662 -1.391) 3.293 25.517 ( 0.340 -3.727 -2.515) 4.509 26.024 ( 0.298 2.128 2.743) 3.484 26.045 ( 0.249 -0.027 2.154) 2.169 26.186 ( -1.145 1.323 -2.033) 2.682 26.199 ( -1.561 -0.197 -1.621) 2.259 26.640 ( 3.219 2.086 -2.632) 4.652 26.687 ( 2.746 -2.734 -4.617) 6.027 27.060 ( -0.337 1.940 -2.966) 3.560 27.119 ( -2.465 -4.460 -2.063) 5.498 27.331 ( 2.688 1.072 0.175) 2.900 27.363 ( 0.369 -2.186 0.510) 2.275 27.525 ( -0.866 1.319 3.268) 3.629 27.547 ( -1.709 -1.086 3.701) 4.219 27.691 ( 4.198 2.626 0.238) 4.957 27.730 ( 8.843 -1.863 0.445) 9.048 27.935 ( -8.084 5.805 -5.432) 11.338 28.006 ( -6.976 -2.443 -3.366) 8.122 28.181 ( 0.710 4.933 3.667) 6.187 28.211 ( 1.862 1.449 6.247) 6.678 28.324 ( 0.092 1.342 -1.376) 1.924 28.345 ( 1.732 1.603 1.088) 2.598 28.466 ( 0.989 -1.032 1.828) 2.321 28.540 ( 1.021 -4.215 3.460) 5.548 28.574 ( 0.934 0.186 2.235) 2.429 28.627 ( -3.125 -4.299 3.658) 6.452 28.888 ( -7.751 5.982 -2.648) 10.143 29.008 ( -5.687 -6.831 -3.867) 9.693 29.331 ( -2.273 9.137 3.858) 10.175 29.486 ( 1.799 -7.299 -1.214) 7.615 29.885 ( 0.556 5.761 -2.431) 6.277 29.954 ( 0.268 -0.017 -1.234) 1.263 30.170 ( -2.000 0.519 1.343) 2.465 30.218 ( -6.723 -5.690 3.710) 9.557 30.564 ( 3.316 5.693 5.153) 8.364 30.739 ( 1.904 -12.123 0.026) 12.272 31.296 ( 6.570 4.118 -6.212) 9.935 31.349 ( 4.986 -1.603 -6.903) 8.665 ======================= Grid point 105 (60/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -3.997 3.631 8.910) 10.419 1.968 ( -1.700 -2.791 7.390) 8.080 1.996 ( -0.238 8.331 1.358) 8.444 2.020 ( 7.574 4.178 1.812) 8.838 2.119 ( 12.178 5.275 3.244) 13.662 2.201 ( 6.862 -2.606 0.126) 7.341 2.209 ( -1.182 0.325 7.579) 7.678 2.299 ( 1.445 -7.097 2.428) 7.639 2.454 ( 5.479 -2.164 5.319) 7.937 2.493 ( -0.015 -3.825 -2.165) 4.395 2.626 ( -2.567 3.735 -3.966) 6.022 2.694 ( -2.687 -1.933 -6.197) 7.025 2.762 ( 0.173 4.222 3.899) 5.750 2.819 ( 2.772 -0.352 -0.306) 2.811 2.925 ( 2.157 1.067 0.163) 2.412 2.958 ( -3.042 -2.904 -2.104) 4.703 3.146 ( -3.109 -0.643 1.537) 3.527 3.186 ( -4.956 -3.857 -1.365) 6.426 3.283 ( -2.271 1.482 1.482) 3.090 3.337 ( 3.184 -4.423 -1.704) 5.710 3.535 ( 3.089 9.944 7.017) 12.556 3.654 ( 4.274 -1.359 5.442) 7.052 3.684 ( -0.373 5.110 -4.773) 7.002 3.701 ( -7.138 4.600 1.478) 8.620 3.805 ( 0.079 1.871 2.246) 2.924 3.886 ( 5.522 4.801 -6.107) 9.531 3.898 ( -0.652 -0.971 -3.875) 4.048 3.985 ( -0.356 -0.357 -8.275) 8.291 4.025 ( -0.720 0.118 -1.595) 1.754 4.054 ( -1.794 2.504 -2.207) 3.789 4.081 ( 2.528 -3.728 0.939) 4.601 4.143 ( 0.577 -3.656 -4.994) 6.216 4.173 ( -7.302 9.065 2.729) 11.956 4.271 ( -1.249 2.315 -6.321) 6.846 4.399 ( -2.201 -3.644 0.059) 4.258 4.408 ( -0.335 -2.779 0.399) 2.827 4.519 ( -3.925 1.063 0.671) 4.121 4.582 ( 1.963 -2.311 -3.884) 4.928 4.622 ( -3.640 -0.848 3.041) 4.818 4.678 ( 1.340 -5.721 -1.346) 6.028 4.707 ( 1.787 4.611 3.644) 6.143 4.788 ( 0.692 -1.440 -3.462) 3.813 4.936 ( -2.197 -1.711 3.892) 4.785 4.997 ( 2.085 -5.968 -1.651) 6.534 5.216 ( 1.119 5.895 -0.172) 6.002 5.251 ( -0.128 5.207 -3.245) 6.136 5.302 ( 2.978 -3.299 0.520) 4.475 5.330 ( -1.476 -2.393 -1.694) 3.283 5.501 ( 2.573 2.663 5.509) 6.638 5.545 ( -0.953 -1.570 3.886) 4.298 5.569 ( -0.099 0.890 -1.504) 1.750 5.584 ( -1.459 -0.160 0.967) 1.757 5.610 ( -0.184 1.914 -0.190) 1.932 5.662 ( 0.116 -0.545 -3.672) 3.714 5.718 ( 2.012 -3.813 1.902) 4.712 5.772 ( -1.746 -7.443 -3.828) 8.550 6.097 ( 0.761 0.368 3.711) 3.806 6.122 ( -1.017 -2.313 2.414) 3.494 6.210 ( 3.825 2.023 0.981) 4.437 6.260 ( 0.257 -2.660 -1.778) 3.210 6.360 ( -3.100 0.206 -0.319) 3.123 6.368 ( -2.298 -0.687 -0.865) 2.550 6.503 ( -0.075 0.685 2.935) 3.015 6.523 ( 0.490 -1.017 0.967) 1.486 6.779 ( -0.425 4.444 3.162) 5.470 6.827 ( -0.117 1.840 -1.317) 2.266 6.963 ( 0.406 -3.220 -0.202) 3.252 6.999 ( 1.799 -4.959 -3.312) 6.229 7.346 ( -0.910 2.519 1.531) 3.085 7.370 ( -0.055 0.906 -0.155) 0.921 7.497 ( 0.193 6.510 4.524) 7.930 7.546 ( -0.397 3.647 -0.645) 3.725 7.612 ( 1.906 -3.014 -3.488) 4.988 7.630 ( -1.212 -2.829 -6.006) 6.749 7.712 ( 0.255 -2.532 1.483) 2.945 7.789 ( 0.849 -6.893 -4.989) 8.551 8.199 ( -3.786 4.539 1.307) 6.054 8.236 ( 2.687 1.033 -2.310) 3.691 8.409 ( -0.183 5.661 2.674) 6.263 8.448 ( 1.671 2.172 -0.816) 2.859 8.539 ( -0.517 4.534 1.538) 4.816 8.569 ( 1.223 3.646 -0.811) 3.930 8.736 ( -0.117 -6.432 4.700) 7.967 8.781 ( -2.160 -8.457 -0.259) 8.733 8.959 ( -1.322 1.621 -0.338) 2.119 8.980 ( 4.008 -0.617 -2.194) 4.611 9.204 ( 1.665 1.058 1.569) 2.521 9.220 ( -1.670 1.532 0.822) 2.411 9.300 ( -3.459 1.796 3.609) 5.312 9.368 ( 1.686 -3.410 -2.615) 4.616 9.564 ( -0.992 3.369 1.847) 3.968 9.578 ( -0.922 0.749 -0.061) 1.190 9.686 ( 2.201 -0.587 1.884) 2.956 9.712 ( 0.576 -1.812 1.046) 2.170 10.011 ( -1.011 0.833 0.921) 1.601 10.044 ( -1.470 -1.217 -1.263) 2.289 10.209 ( -1.199 4.208 1.618) 4.665 10.253 ( 1.703 3.621 -1.553) 4.292 10.330 ( 1.174 -1.219 2.303) 2.858 10.395 ( 1.546 -4.401 -3.009) 5.551 10.535 ( -0.536 -1.734 1.750) 2.521 10.561 ( 1.637 -4.314 -0.777) 4.680 10.892 ( 2.995 -3.891 3.329) 5.932 10.904 ( -3.471 -5.081 2.510) 6.646 11.141 ( 3.808 3.555 3.794) 6.445 11.192 ( 4.148 -0.866 1.895) 4.642 11.287 ( -3.291 3.448 -3.773) 6.079 11.332 ( -5.675 -0.420 -5.175) 7.692 11.944 ( 0.666 2.365 1.595) 2.930 11.992 ( 0.286 -1.369 -0.940) 1.686 12.071 ( 0.807 1.819 -1.569) 2.533 12.138 ( -4.228 -2.231 -5.491) 7.280 12.174 ( -1.196 -2.241 -1.173) 2.799 12.184 ( 0.606 -1.288 -1.415) 2.007 12.414 ( -2.061 1.179 1.524) 2.821 12.451 ( 1.986 -1.198 -2.240) 3.224 12.543 ( -1.036 2.855 2.215) 3.759 12.570 ( 0.828 2.307 0.124) 2.454 12.670 ( -1.488 -2.638 -1.900) 3.575 12.680 ( 1.389 -4.557 -3.190) 5.733 12.897 ( -0.845 0.461 1.785) 2.028 12.921 ( 1.606 -1.870 -0.726) 2.570 13.083 ( -0.942 0.485 2.418) 2.640 13.114 ( 1.485 -2.511 -0.459) 2.953 13.251 ( -2.087 4.000 6.115) 7.599 13.309 ( -2.489 -1.786 7.322) 7.937 13.395 ( 0.410 2.480 -4.494) 5.149 13.485 ( 1.175 -6.295 -5.431) 8.396 13.673 ( 1.117 -0.020 -1.414) 1.802 13.676 ( 1.987 -0.353 -2.449) 3.173 13.875 ( -1.347 1.186 0.842) 1.982 13.909 ( 0.120 -2.040 -1.584) 2.585 14.057 ( 5.042 2.129 2.503) 6.019 14.077 ( -5.007 -0.243 0.897) 5.093 14.269 ( -0.332 6.722 3.514) 7.592 14.314 ( 0.904 2.296 -0.770) 2.585 14.570 ( -0.901 4.068 -1.050) 4.297 14.614 ( 0.250 2.110 -5.704) 6.087 14.871 ( 0.074 -2.198 2.481) 3.315 14.919 ( 0.401 -4.637 -2.219) 5.156 15.214 ( 1.027 3.271 1.452) 3.724 15.271 ( 2.097 -3.012 -4.238) 5.606 15.440 ( 1.348 1.444 2.578) 3.248 15.448 ( -0.337 0.466 1.877) 1.963 15.514 ( -0.764 1.501 -1.508) 2.261 15.517 ( 0.142 0.996 -1.709) 1.983 15.990 ( -0.747 10.690 3.240) 11.195 16.019 ( -1.597 8.272 0.962) 8.479 16.137 ( 0.329 -4.849 4.110) 6.365 16.153 ( -2.074 -5.836 2.889) 6.834 16.396 ( 0.624 3.056 -1.666) 3.536 16.439 ( 1.018 -0.706 -5.865) 5.995 16.660 ( -1.924 2.675 7.216) 7.933 16.761 ( 1.624 -5.237 -2.249) 5.926 16.929 ( -0.014 -2.829 0.606) 2.893 16.967 ( 0.355 -5.566 -2.294) 6.031 19.272 ( -0.759 1.555 1.855) 2.537 19.307 ( 0.120 -1.349 -1.424) 1.965 19.452 ( -1.345 -1.461 1.593) 2.546 19.491 ( 1.657 -4.872 -1.934) 5.498 21.135 ( 0.069 4.378 2.768) 5.180 21.166 ( 1.463 2.679 0.291) 3.066 21.211 ( -0.818 -0.116 1.396) 1.622 21.234 ( -0.371 -1.041 -0.346) 1.158 25.035 ( -0.556 0.003 -0.445) 0.712 25.038 ( -0.471 -0.348 -0.772) 0.969 25.462 ( 0.127 1.282 -0.139) 1.296 25.483 ( -1.192 -0.872 -2.123) 2.586 26.067 ( 0.837 1.707 3.810) 4.258 26.085 ( 1.074 -0.164 3.285) 3.460 26.142 ( -0.867 0.969 -3.180) 3.436 26.151 ( -1.306 -0.054 -2.851) 3.136 26.665 ( 1.542 0.534 -1.314) 2.095 26.683 ( 0.936 -1.284 -3.211) 3.583 27.044 ( 0.828 -1.213 -1.337) 1.986 27.052 ( -1.753 -2.000 -2.149) 3.420 27.361 ( -1.367 -0.160 0.535) 1.477 27.365 ( 0.874 -0.665 0.101) 1.103 27.537 ( -0.574 0.468 2.359) 2.472 27.544 ( -0.368 -0.280 1.664) 1.727 27.749 ( -2.801 6.260 2.155) 7.188 27.797 ( -0.621 3.869 -1.137) 4.080 27.850 ( -2.866 -2.814 -1.218) 4.197 27.878 ( 3.343 -3.002 -2.179) 4.993 28.215 ( -0.064 3.970 4.370) 5.904 28.272 ( 0.908 -1.231 0.709) 1.685 28.331 ( 0.771 1.159 -0.687) 1.552 28.368 ( -0.053 -1.777 -1.827) 2.549 28.531 ( -0.599 4.876 5.393) 7.295 28.579 ( 2.625 2.476 1.547) 3.926 28.603 ( -3.062 -1.435 3.624) 4.956 28.645 ( 2.354 -3.636 1.114) 4.472 28.790 ( 0.267 1.792 -0.093) 1.814 28.888 ( -1.346 -7.392 -6.825) 10.150 29.369 ( 0.734 8.801 5.663) 10.491 29.490 ( 2.353 -3.273 -5.464) 6.790 29.893 ( 0.525 2.949 1.755) 3.472 29.935 ( -1.077 -0.045 -1.832) 2.125 30.148 ( -3.665 0.017 3.249) 4.897 30.190 ( 3.274 -3.072 -0.719) 4.547 30.650 ( -0.968 -0.572 6.927) 7.017 30.733 ( -2.060 -8.573 -0.886) 8.862 31.304 ( 0.455 3.284 -4.355) 5.473 31.341 ( 3.140 -0.863 -7.408) 8.093 ======================= Grid point 106 (61/63) ======================= q-point: (-0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -14.412 6.117 4.520) 16.296 1.810 ( -20.134 3.160 -13.397) 24.390 1.908 ( -10.455 0.500 1.730) 10.609 1.956 ( -15.223 -3.263 -9.955) 18.480 2.075 ( -2.462 3.909 -2.967) 5.491 2.166 ( 5.323 1.510 -4.533) 7.153 2.279 ( -1.318 -1.369 -0.696) 2.023 2.405 ( 4.222 -4.080 -5.906) 8.328 2.434 ( -1.780 1.749 -1.269) 2.800 2.524 ( 2.580 -4.133 -8.670) 9.946 2.650 ( -0.880 -0.350 -0.707) 1.182 2.711 ( 2.562 -3.729 -0.833) 4.600 2.763 ( 4.243 3.402 1.871) 5.752 2.822 ( 3.160 -2.745 3.873) 5.702 2.965 ( 2.292 5.074 -2.643) 6.163 3.024 ( 4.019 -0.772 -0.540) 4.128 3.078 ( -6.048 0.914 5.780) 8.416 3.098 ( -6.718 0.166 4.758) 8.234 3.255 ( -3.613 3.165 3.089) 5.711 3.335 ( -4.542 -4.917 1.150) 6.792 3.481 ( -12.582 8.426 -0.864) 15.167 3.602 ( -1.831 1.915 -2.546) 3.675 3.631 ( 0.485 7.313 0.494) 7.346 3.761 ( -2.614 5.643 1.954) 6.519 3.809 ( 2.580 -5.631 -4.293) 7.536 3.839 ( -2.270 1.125 -1.428) 2.908 3.865 ( -1.981 0.605 1.513) 2.565 3.892 ( -2.114 -0.447 1.816) 2.823 4.025 ( 2.079 4.099 0.552) 4.630 4.041 ( -0.578 1.946 -0.760) 2.167 4.088 ( 1.370 -2.116 0.210) 2.530 4.169 ( 5.337 -7.046 1.164) 8.916 4.240 ( 3.956 3.765 7.396) 9.193 4.292 ( -0.746 -2.828 -0.476) 2.964 4.345 ( 0.744 1.048 3.276) 3.519 4.396 ( -2.959 -4.008 1.252) 5.137 4.488 ( 1.785 3.725 1.569) 4.418 4.589 ( 1.447 -1.513 -1.399) 2.517 4.660 ( 2.172 5.799 3.283) 7.009 4.739 ( 6.052 -1.838 -0.583) 6.352 4.795 ( 2.166 -3.294 2.842) 4.860 4.825 ( 8.003 -6.227 -3.835) 10.841 4.942 ( -0.079 0.713 1.227) 1.421 5.003 ( -0.397 -2.563 0.231) 2.604 5.211 ( 1.303 4.174 -1.582) 4.650 5.291 ( 2.085 -2.239 -1.447) 3.385 5.312 ( 4.752 2.768 -1.900) 5.818 5.367 ( 3.252 -0.772 -0.656) 3.406 5.524 ( -1.225 2.333 -0.306) 2.653 5.533 ( -0.046 1.199 -0.587) 1.335 5.578 ( 1.113 -1.430 -0.369) 1.849 5.591 ( 1.664 -2.401 2.973) 4.168 5.639 ( 2.688 0.531 -1.822) 3.290 5.692 ( 3.024 -3.662 -1.997) 5.152 5.732 ( 2.913 0.970 -0.232) 3.079 5.806 ( 4.129 -5.474 2.360) 7.252 6.095 ( -5.282 1.724 -1.326) 5.712 6.136 ( -2.803 -1.894 1.484) 3.694 6.157 ( -0.296 1.272 -4.454) 4.642 6.209 ( -1.390 -4.156 -0.376) 4.398 6.389 ( 2.852 0.908 4.890) 5.734 6.411 ( 1.431 -1.419 2.676) 3.350 6.520 ( 0.545 1.067 -0.010) 1.198 6.537 ( 0.862 -0.492 -0.470) 1.099 6.816 ( 0.828 3.955 2.955) 5.007 6.831 ( 2.136 3.984 -2.458) 5.146 6.947 ( -1.625 -3.150 1.000) 3.683 6.998 ( 2.114 -7.240 -4.679) 8.876 7.324 ( -2.130 4.522 0.467) 5.021 7.374 ( -0.225 -0.204 0.296) 0.424 7.521 ( -1.959 2.858 -3.396) 4.851 7.537 ( -0.133 2.491 1.636) 2.983 7.568 ( 1.709 3.543 0.504) 3.966 7.640 ( 2.118 -3.729 0.100) 4.290 7.766 ( 2.402 -4.591 0.288) 5.189 7.779 ( 3.443 -4.413 -0.620) 5.631 8.171 ( -0.122 4.185 1.536) 4.460 8.239 ( 0.042 -2.968 -1.011) 3.136 8.434 ( 1.517 6.683 0.036) 6.853 8.500 ( -0.635 -0.295 0.220) 0.734 8.545 ( 7.439 9.817 -2.311) 12.532 8.639 ( 4.981 1.587 0.072) 5.228 8.750 ( -0.635 -4.657 0.472) 4.723 8.784 ( -0.457 -6.346 3.433) 7.229 8.927 ( -0.125 2.671 -2.176) 3.447 9.013 ( 2.336 -5.594 -2.368) 6.508 9.195 ( -1.031 6.884 -1.789) 7.187 9.246 ( 1.017 -0.006 1.049) 1.461 9.268 ( -4.415 0.237 4.282) 6.155 9.353 ( -0.906 -5.819 -1.915) 6.193 9.539 ( -2.914 3.547 1.866) 4.955 9.582 ( -0.269 -0.780 1.585) 1.787 9.659 ( -3.880 1.075 -3.564) 5.377 9.692 ( -2.477 -2.561 -1.029) 3.709 10.017 ( -0.667 -1.339 0.525) 1.586 10.026 ( -0.983 -1.789 3.562) 4.106 10.154 ( -4.299 7.226 -1.163) 8.488 10.264 ( -1.038 -1.292 0.272) 1.680 10.316 ( -0.426 1.861 -3.254) 3.773 10.402 ( 1.198 -4.025 -1.328) 4.405 10.549 ( 0.569 -1.264 0.558) 1.494 10.587 ( 3.110 -4.788 -2.094) 6.081 10.852 ( -3.488 1.079 -0.136) 3.654 10.948 ( -0.608 -8.504 1.369) 8.635 11.113 ( -3.716 2.234 -5.713) 7.172 11.145 ( -3.491 -0.740 -3.843) 5.244 11.310 ( 3.952 5.075 4.583) 7.898 11.381 ( 5.596 -1.746 5.922) 8.333 11.952 ( -1.019 0.956 -0.809) 1.614 11.987 ( -0.151 -1.893 -0.985) 2.139 12.059 ( 0.888 4.659 2.186) 5.222 12.149 ( 2.041 -3.336 4.836) 6.219 12.158 ( 0.940 -0.269 -0.467) 1.084 12.189 ( 1.356 -3.551 0.243) 3.809 12.389 ( -0.799 5.469 0.798) 5.584 12.485 ( 1.326 -2.242 0.803) 2.726 12.554 ( 0.801 4.384 0.324) 4.468 12.591 ( 1.391 1.490 0.101) 2.041 12.644 ( 0.916 -1.308 -1.354) 2.094 12.694 ( 1.593 -6.943 0.588) 7.148 12.901 ( 0.495 1.850 0.705) 2.040 12.949 ( 3.366 -3.214 -1.943) 5.043 13.083 ( -0.837 1.888 0.735) 2.192 13.136 ( 1.838 -3.688 -1.387) 4.348 13.263 ( -3.047 3.003 3.535) 5.550 13.325 ( -4.671 -4.733 4.297) 7.917 13.387 ( 4.019 5.284 -1.344) 6.774 13.488 ( 2.868 -5.426 -0.320) 6.146 13.646 ( -1.559 1.160 -2.043) 2.820 13.672 ( 0.749 -1.568 -3.396) 3.815 13.788 ( -9.996 2.413 0.768) 10.312 13.832 ( -8.107 -2.517 -0.586) 8.509 13.983 ( -2.522 4.876 -0.504) 5.512 14.086 ( 1.027 -6.437 1.017) 6.597 14.386 ( 9.152 8.352 -0.051) 12.390 14.431 ( 7.962 3.789 -1.533) 8.950 14.577 ( 0.623 4.469 0.573) 4.549 14.595 ( 2.302 0.777 1.630) 2.926 14.884 ( -0.976 -2.441 1.059) 2.834 14.894 ( -0.549 -3.416 -2.512) 4.276 15.202 ( -1.068 4.501 -2.251) 5.145 15.290 ( 3.508 -4.284 -2.789) 6.200 15.424 ( -1.790 2.147 -1.161) 3.027 15.454 ( -0.097 -1.851 -0.888) 2.055 15.541 ( 3.043 2.197 0.343) 3.769 15.555 ( 4.370 0.671 1.138) 4.565 15.966 ( -2.973 11.541 1.578) 12.021 16.056 ( 1.933 7.044 2.413) 7.692 16.140 ( -1.574 -6.677 0.485) 6.877 16.174 ( -0.250 -4.927 2.826) 5.686 16.353 ( -3.605 3.259 -0.169) 4.863 16.397 ( -1.032 -1.250 -3.218) 3.603 16.669 ( -2.777 3.304 2.385) 4.931 16.755 ( 0.468 -5.083 -2.652) 5.753 16.926 ( -1.383 -3.549 -0.110) 3.810 16.938 ( -1.101 -4.184 0.208) 4.331 19.275 ( -0.619 1.867 1.361) 2.392 19.315 ( 1.633 -1.782 -0.006) 2.417 19.456 ( -0.344 -0.779 1.424) 1.660 19.509 ( 2.873 -5.761 -2.337) 6.848 21.097 ( -3.441 5.743 -0.487) 6.713 21.177 ( -1.807 -2.800 -1.558) 3.679 21.226 ( 1.851 2.361 0.789) 3.102 21.242 ( 0.279 0.556 0.654) 0.902 25.029 ( -0.431 -0.124 1.267) 1.344 25.032 ( -0.188 -0.423 0.833) 0.953 25.440 ( -2.184 1.662 0.048) 2.745 25.465 ( -1.062 -0.993 1.894) 2.388 26.090 ( -0.630 1.145 -3.532) 3.766 26.100 ( -0.725 0.036 -3.113) 3.196 26.127 ( 1.248 1.755 3.642) 4.231 26.146 ( 1.563 -0.525 3.486) 3.857 26.646 ( -1.280 -0.220 -2.845) 3.127 26.656 ( -1.404 -1.193 -1.429) 2.331 27.019 ( -0.076 2.319 0.689) 2.420 27.083 ( 2.603 -4.639 1.139) 5.439 27.325 ( -3.142 1.441 0.646) 3.517 27.363 ( -1.250 -2.563 0.488) 2.893 27.560 ( 1.343 1.946 0.508) 2.418 27.577 ( 0.648 0.176 2.042) 2.150 27.661 ( -6.359 3.213 1.883) 7.369 27.721 ( -7.008 -3.054 -0.735) 7.680 27.868 ( 5.031 6.878 1.819) 8.714 27.971 ( 5.385 -4.584 0.925) 7.132 28.250 ( -0.454 2.628 2.234) 3.478 28.257 ( 0.054 2.943 -3.625) 4.670 28.318 ( -0.990 -0.863 -0.593) 1.441 28.361 ( 0.429 -2.888 -0.447) 2.954 28.502 ( -5.862 4.138 -0.874) 7.229 28.539 ( -1.582 2.182 1.498) 3.084 28.620 ( 2.246 2.471 -1.791) 3.789 28.719 ( 0.629 -8.031 -2.968) 8.585 28.851 ( 7.523 1.926 1.135) 7.849 28.923 ( 7.913 -5.540 2.371) 9.946 29.436 ( 1.731 4.658 0.264) 4.976 29.478 ( 4.328 1.378 -6.007) 7.531 29.878 ( -2.795 2.376 -1.164) 3.849 29.917 ( -0.647 -0.248 2.106) 2.217 30.154 ( 0.724 5.020 2.416) 5.618 30.274 ( 6.836 -7.977 -1.414) 10.600 30.626 ( -7.057 -1.382 1.154) 7.283 30.694 ( -3.006 -7.954 3.514) 9.201 31.241 ( -3.701 5.164 -1.697) 6.576 31.313 ( 0.183 -2.624 -4.343) 5.077 ======================= Grid point 107 (62/63) ======================= q-point: (-0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -19.258 13.403 -6.253) 24.282 1.497 ( -13.310 -8.086 -3.637) 15.993 1.650 ( -14.530 5.936 8.290) 17.751 1.790 ( -6.127 -4.448 -0.041) 7.572 2.031 ( -2.151 3.844 -0.235) 4.411 2.164 ( -1.543 -7.333 -2.548) 7.915 2.237 ( 0.520 5.061 -2.230) 5.555 2.325 ( -0.636 1.160 -6.525) 6.658 2.394 ( 2.826 3.382 -7.781) 8.942 2.495 ( 4.377 -6.867 -8.820) 12.004 2.616 ( -1.798 1.785 3.473) 4.298 2.703 ( -0.224 -7.613 1.618) 7.786 2.811 ( -3.169 5.949 -2.653) 7.244 2.892 ( 0.834 -2.134 -3.210) 3.944 2.914 ( -4.829 7.847 1.391) 9.318 3.004 ( -2.748 -1.406 2.615) 4.045 3.071 ( -2.925 2.462 3.467) 5.161 3.084 ( -1.966 0.374 3.572) 4.094 3.225 ( -4.507 6.510 6.241) 10.082 3.288 ( -3.580 0.502 3.801) 5.246 3.333 ( -2.392 1.829 -1.724) 3.470 3.510 ( -6.438 -12.125 0.075) 13.729 3.636 ( -0.527 9.906 -1.610) 10.049 3.674 ( -4.405 6.089 -2.268) 7.850 3.774 ( -2.006 -0.845 -0.768) 2.308 3.834 ( 0.496 0.596 -0.258) 0.818 3.879 ( -0.666 0.863 3.352) 3.525 3.918 ( 2.835 -3.035 2.561) 4.880 4.053 ( 2.961 1.748 2.274) 4.123 4.122 ( 0.713 -0.804 3.490) 3.651 4.145 ( 5.348 2.438 1.162) 5.991 4.238 ( 1.680 -2.895 -0.449) 3.377 4.252 ( -1.666 -1.089 3.041) 3.635 4.338 ( -2.270 -6.101 -0.252) 6.514 4.382 ( 2.945 2.930 3.739) 5.589 4.447 ( 3.627 -3.465 2.376) 5.550 4.517 ( 0.069 5.752 -2.264) 6.182 4.592 ( 1.239 -0.076 -0.839) 1.499 4.732 ( 2.210 4.579 -0.726) 5.136 4.829 ( -0.974 -6.912 0.707) 7.016 4.851 ( 6.664 -0.809 0.429) 6.726 4.896 ( 4.635 -0.888 -4.578) 6.575 4.984 ( 2.267 -1.229 4.888) 5.527 5.011 ( -1.252 -1.527 3.207) 3.767 5.224 ( 1.192 2.440 -3.003) 4.049 5.256 ( -0.287 -0.503 -7.554) 7.576 5.383 ( 3.941 4.449 0.046) 5.944 5.426 ( 5.369 -0.646 0.410) 5.423 5.509 ( 0.746 1.802 -3.406) 3.925 5.560 ( 1.790 -0.648 -7.346) 7.588 5.587 ( 4.057 -2.252 -0.342) 4.652 5.633 ( 3.225 -2.214 -5.147) 6.464 5.668 ( 1.531 -1.470 1.786) 2.774 5.703 ( 3.022 -4.622 -0.430) 5.539 5.849 ( 3.909 3.308 3.731) 6.336 5.906 ( 4.431 -2.285 2.126) 5.420 5.956 ( -6.361 2.680 -0.617) 6.930 6.038 ( -5.897 -5.250 -1.370) 8.013 6.158 ( 1.765 1.713 -1.952) 3.140 6.215 ( 0.337 -4.830 -0.680) 4.889 6.427 ( -0.564 1.646 0.607) 1.843 6.469 ( 1.017 -2.082 2.288) 3.256 6.526 ( 0.942 2.431 -1.013) 2.797 6.558 ( 0.926 -1.245 0.841) 1.765 6.829 ( 1.068 7.201 -0.884) 7.333 6.871 ( 1.659 4.971 1.961) 5.595 6.950 ( -1.535 -5.570 5.228) 7.792 6.983 ( 1.978 -6.977 -3.927) 8.247 7.310 ( 0.297 4.036 0.613) 4.093 7.357 ( -0.869 -0.802 -0.912) 1.493 7.454 ( -1.418 6.244 -2.939) 7.046 7.553 ( -0.151 -2.760 -0.528) 2.814 7.617 ( 2.042 2.302 2.650) 4.061 7.685 ( 0.749 -3.829 3.788) 5.438 7.819 ( 4.538 1.049 0.697) 4.709 7.865 ( 3.275 -2.186 2.535) 4.683 8.236 ( 5.653 -0.487 0.023) 5.674 8.247 ( 3.814 -1.282 -1.513) 4.299 8.458 ( 1.243 4.543 0.364) 4.724 8.482 ( -0.690 1.785 -0.192) 1.923 8.656 ( 5.983 7.453 -1.552) 9.683 8.702 ( 0.304 1.166 2.916) 3.156 8.772 ( 0.284 -1.280 0.236) 1.332 8.810 ( 4.613 -4.799 0.403) 6.669 8.922 ( 3.045 2.419 -4.420) 5.887 9.017 ( -0.061 -5.635 -1.166) 5.754 9.138 ( -2.184 6.483 -2.663) 7.341 9.204 ( -6.104 1.443 1.917) 6.558 9.257 ( -2.368 -1.891 0.046) 3.031 9.314 ( 0.109 -7.807 -2.594) 8.228 9.508 ( -2.812 6.061 1.870) 6.938 9.569 ( -1.394 -0.951 -2.728) 3.208 9.597 ( -0.519 -3.511 0.996) 3.686 9.622 ( -2.392 -3.960 -0.958) 4.724 10.002 ( -5.092 0.621 2.888) 5.887 10.012 ( -2.005 -0.052 -0.220) 2.017 10.083 ( -1.172 5.896 -1.467) 6.187 10.212 ( -3.037 -6.769 -1.566) 7.583 10.307 ( 2.158 5.757 -1.938) 6.446 10.396 ( -0.607 -3.788 -0.548) 3.875 10.573 ( 1.546 -0.592 0.487) 1.726 10.629 ( 3.727 -5.629 -1.055) 6.833 10.803 ( -2.256 4.191 0.991) 4.862 10.912 ( -4.094 -6.134 1.964) 7.632 11.026 ( -0.559 1.851 -3.591) 4.078 11.076 ( -0.390 -4.225 -3.188) 5.307 11.389 ( 1.271 6.017 -0.130) 6.152 11.476 ( 0.179 -2.484 0.718) 2.592 11.950 ( -0.550 -0.486 3.174) 3.258 11.981 ( -1.234 -3.751 2.772) 4.825 12.131 ( 0.577 2.714 3.140) 4.190 12.140 ( -0.227 1.041 -0.893) 1.391 12.226 ( 4.583 3.054 2.250) 5.950 12.297 ( 6.174 -4.120 4.485) 8.672 12.408 ( 0.653 6.264 3.820) 7.366 12.503 ( -1.880 -1.595 3.904) 4.617 12.578 ( 2.642 2.369 -1.862) 4.008 12.605 ( 0.546 0.705 -1.908) 2.106 12.688 ( 3.953 -1.095 1.743) 4.456 12.728 ( 1.467 -5.176 0.182) 5.383 12.926 ( 1.798 4.016 -1.428) 4.626 13.011 ( 5.477 -3.917 0.037) 6.733 13.079 ( 0.029 1.522 -1.232) 1.959 13.143 ( 0.175 -3.949 -2.733) 4.806 13.228 ( -0.628 2.381 0.005) 2.463 13.268 ( -3.939 -3.029 1.834) 5.296 13.456 ( 2.763 0.997 -0.326) 2.956 13.499 ( -3.997 -3.629 0.718) 5.446 13.567 ( -8.359 4.080 3.310) 9.873 13.622 ( -7.465 0.073 3.981) 8.461 13.691 ( 1.695 -1.670 -5.153) 5.676 13.712 ( 1.831 -1.954 -0.663) 2.759 14.000 ( 2.240 7.539 3.173) 8.480 14.150 ( 2.583 -9.081 2.943) 9.889 14.464 ( 2.399 9.104 -4.135) 10.282 14.515 ( 6.283 6.341 -3.768) 9.689 14.608 ( -0.108 2.931 2.210) 3.672 14.687 ( 3.801 -5.648 2.632) 7.299 14.840 ( -3.076 1.829 -2.991) 4.664 14.863 ( -0.239 -0.395 -2.052) 2.103 15.162 ( 0.492 6.963 -3.742) 7.920 15.315 ( 2.346 -6.674 -2.991) 7.680 15.391 ( 0.089 3.027 -1.925) 3.588 15.447 ( 1.199 -4.023 -1.999) 4.649 15.606 ( 3.556 3.906 1.026) 5.381 15.664 ( 6.519 -2.894 1.101) 7.217 15.918 ( -3.853 11.888 -0.452) 12.505 16.079 ( -3.441 -3.982 -4.176) 6.718 16.118 ( 1.072 3.417 3.465) 4.983 16.185 ( -1.358 -4.416 2.801) 5.403 16.292 ( -3.818 1.098 0.687) 4.032 16.348 ( -2.730 -4.127 1.031) 5.055 16.637 ( -1.039 4.006 -1.227) 4.317 16.717 ( -1.459 -5.386 -2.669) 6.186 16.887 ( -1.991 -0.058 -1.513) 2.501 16.924 ( -1.318 -4.031 -0.473) 4.268 19.282 ( 0.242 3.524 0.410) 3.556 19.350 ( 1.663 -3.230 0.265) 3.643 19.450 ( -1.841 0.588 0.514) 1.999 19.529 ( 2.082 -6.932 -2.999) 7.835 21.041 ( -1.867 5.677 -0.393) 5.989 21.126 ( -1.249 -3.362 -1.811) 4.017 21.219 ( -2.201 3.426 -0.229) 4.078 21.265 ( 0.527 -1.087 0.741) 1.418 25.040 ( -0.409 0.164 2.064) 2.110 25.053 ( 0.509 -1.236 2.373) 2.723 25.409 ( -2.412 2.703 1.603) 3.962 25.464 ( -2.402 -3.300 3.469) 5.357 26.049 ( -0.060 1.787 -3.113) 3.590 26.065 ( 0.056 0.106 -2.379) 2.382 26.187 ( 1.716 1.764 2.734) 3.678 26.206 ( 1.484 -0.567 2.692) 3.126 26.579 ( -3.342 1.424 -1.462) 3.916 26.619 ( -1.717 -2.613 0.830) 3.235 27.052 ( 1.537 4.353 2.417) 5.211 27.141 ( 1.814 -5.360 1.912) 5.973 27.275 ( -3.378 2.078 0.861) 4.058 27.330 ( -3.812 -3.650 0.644) 5.316 27.544 ( -6.083 1.712 0.929) 6.387 27.559 ( -4.940 3.059 -0.617) 5.843 27.581 ( -0.485 0.479 -1.134) 1.323 27.650 ( 1.399 -3.773 -1.313) 4.233 28.014 ( 5.388 2.983 5.497) 8.255 28.062 ( 2.057 -1.836 2.723) 3.875 28.195 ( -1.629 8.230 -5.894) 10.253 28.263 ( 1.812 1.814 -0.202) 2.572 28.323 ( 1.208 -2.058 1.261) 2.699 28.338 ( 0.651 3.166 -2.467) 4.067 28.451 ( -0.694 -0.807 0.312) 1.109 28.522 ( -1.708 2.210 0.818) 2.910 28.633 ( 3.897 -3.577 -3.681) 6.444 28.693 ( 1.747 -7.146 -2.644) 7.817 29.033 ( 10.338 3.478 2.513) 11.193 29.110 ( 9.763 -4.541 3.194) 11.231 29.435 ( 2.522 3.514 -5.163) 6.736 29.494 ( 2.455 -2.048 -5.458) 6.325 29.835 ( -2.681 6.143 2.378) 7.111 29.919 ( -1.751 -1.621 2.602) 3.531 30.196 ( 0.377 6.165 2.596) 6.700 30.336 ( -1.394 -10.198 -0.607) 10.311 30.529 ( 0.077 4.510 -2.053) 4.956 30.671 ( -2.346 -10.660 2.153) 11.126 31.145 ( -6.842 6.796 -0.004) 9.644 31.246 ( -4.668 -4.147 -2.121) 6.594 ======================= Grid point 108 (63/63) ======================= q-point: (-0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 8.375 13.226 24.773) 29.304 1.451 ( -1.641 5.189 10.845) 12.134 1.585 ( -3.594 -3.047 16.011) 16.690 1.733 ( 0.394 -6.241 2.659) 6.795 1.987 ( -0.718 0.406 -3.025) 3.136 2.090 ( -2.110 -7.128 -4.973) 8.944 2.277 ( 4.964 6.515 -0.337) 8.197 2.351 ( 3.664 -0.376 4.540) 5.847 2.395 ( 5.155 4.266 -6.264) 9.165 2.508 ( 2.879 -7.088 -2.416) 8.023 2.645 ( -12.909 13.061 13.728) 22.928 2.686 ( 4.136 4.862 -0.817) 6.435 2.739 ( -0.053 -4.054 5.451) 6.794 2.834 ( -2.855 -5.319 -3.791) 7.128 2.909 ( 0.886 1.708 -0.945) 2.144 2.969 ( -0.484 -1.965 -0.177) 2.032 3.043 ( -3.406 2.206 2.589) 4.814 3.085 ( -1.812 -1.862 2.358) 3.509 3.200 ( -3.232 6.450 -1.520) 7.372 3.242 ( -2.886 3.257 -3.129) 5.360 3.307 ( -1.568 -0.978 1.496) 2.378 3.429 ( -2.856 -10.569 2.429) 11.215 3.581 ( -2.918 7.792 -2.386) 8.656 3.631 ( 1.326 3.202 1.618) 3.825 3.754 ( -3.801 0.216 4.823) 6.145 3.828 ( -0.470 -3.608 -1.385) 3.893 3.872 ( -2.304 5.425 2.445) 6.381 3.988 ( 3.579 -3.521 -2.939) 5.817 4.152 ( 4.001 2.366 1.536) 4.896 4.174 ( 1.930 2.682 3.551) 4.850 4.199 ( 2.001 2.068 -2.852) 4.051 4.212 ( -3.440 0.698 0.757) 3.591 4.251 ( -1.368 -3.738 -2.677) 4.797 4.300 ( -1.264 -5.183 -3.111) 6.175 4.442 ( 3.136 1.066 0.423) 3.339 4.461 ( -0.871 3.434 -1.330) 3.784 4.503 ( 0.172 -1.399 -3.256) 3.548 4.591 ( -0.211 -4.994 -2.551) 5.612 4.715 ( -1.386 4.248 0.075) 4.469 4.804 ( -1.703 -4.409 1.564) 4.979 4.905 ( 0.985 0.484 -3.185) 3.368 4.934 ( 2.367 -2.442 -2.412) 4.169 5.021 ( 0.419 2.068 2.873) 3.565 5.072 ( 1.509 -2.533 2.597) 3.929 5.171 ( 0.566 3.632 -4.118) 5.520 5.221 ( 0.710 -2.036 -0.983) 2.370 5.439 ( 1.533 2.516 -5.324) 6.085 5.468 ( 1.673 5.894 -6.179) 8.701 5.477 ( 0.305 -0.682 -3.912) 3.982 5.528 ( 2.644 -0.935 -1.820) 3.343 5.615 ( 0.241 -1.415 -0.177) 1.447 5.643 ( 0.466 -4.636 -0.888) 4.743 5.675 ( 0.049 1.347 -3.019) 3.306 5.759 ( 3.353 -5.565 -3.978) 7.618 5.862 ( -3.075 1.778 1.398) 3.817 5.902 ( -1.601 -0.716 1.373) 2.227 5.962 ( 0.508 -2.945 -3.131) 4.328 5.976 ( 2.107 -2.539 -2.083) 3.902 6.164 ( 0.395 0.657 1.172) 1.401 6.206 ( -0.095 -4.018 -0.032) 4.019 6.421 ( 0.248 1.996 -2.021) 2.851 6.443 ( -1.938 0.079 -4.018) 4.462 6.561 ( 1.313 1.343 3.407) 3.891 6.574 ( 0.298 -0.566 2.154) 2.247 6.885 ( 2.220 4.555 5.463) 7.451 6.910 ( 1.392 1.061 1.883) 2.570 6.968 ( -2.820 -0.490 5.007) 5.768 7.029 ( 3.652 -4.882 1.664) 6.320 7.337 ( -0.105 1.913 -0.453) 1.969 7.349 ( 3.207 0.958 0.326) 3.362 7.417 ( 0.197 5.457 -2.713) 6.098 7.513 ( -2.050 -4.347 -2.020) 5.214 7.695 ( 2.585 1.642 3.585) 4.715 7.735 ( 0.021 -2.110 4.218) 4.716 7.894 ( 2.306 1.902 0.620) 3.053 7.919 ( 0.714 -0.079 1.142) 1.349 8.305 ( 5.776 2.103 -3.034) 6.855 8.341 ( 1.475 -0.424 1.015) 1.840 8.503 ( 4.334 1.750 1.135) 4.810 8.522 ( 6.380 -0.564 1.606) 6.603 8.693 ( -0.083 0.570 -0.262) 0.633 8.724 ( -0.236 -2.205 0.824) 2.366 8.784 ( 2.180 7.906 -0.332) 8.207 8.895 ( 2.823 -2.835 -3.510) 5.322 8.921 ( 0.384 0.959 -0.127) 1.041 8.965 ( -6.240 -1.404 2.077) 6.725 9.101 ( 1.313 1.771 -3.075) 3.783 9.136 ( -1.749 0.043 0.443) 1.805 9.205 ( -0.821 -0.702 -1.354) 1.732 9.295 ( 1.417 -6.139 -4.381) 7.674 9.467 ( -4.025 4.702 0.889) 6.252 9.544 ( -0.456 -2.121 -0.371) 2.201 9.586 ( 0.311 -3.789 -1.015) 3.935 9.619 ( 0.018 -1.807 1.746) 2.513 9.925 ( -4.720 4.564 1.941) 6.847 9.985 ( -0.029 -1.394 -2.021) 2.455 10.067 ( -0.296 1.873 0.441) 1.946 10.149 ( -1.971 -5.949 -2.166) 6.631 10.342 ( 2.287 2.028 0.675) 3.130 10.382 ( -1.101 -2.281 1.137) 2.776 10.608 ( 1.245 1.489 1.835) 2.671 10.685 ( 2.594 -5.146 0.661) 5.801 10.791 ( -0.814 1.471 0.911) 1.912 10.865 ( -3.445 -4.806 1.229) 6.040 11.040 ( 3.856 1.977 0.648) 4.382 11.077 ( 3.075 -2.285 0.282) 3.842 11.353 ( -2.470 4.393 -4.137) 6.520 11.415 ( -4.648 -1.665 -3.024) 5.790 11.963 ( -0.787 -0.936 0.723) 1.421 11.974 ( -3.155 -2.137 3.268) 5.020 12.126 ( -0.848 -1.108 -0.972) 1.700 12.131 ( -0.100 -1.309 -1.200) 1.778 12.347 ( 4.572 6.606 3.229) 8.658 12.448 ( 4.644 -3.729 3.328) 6.823 12.478 ( 0.795 3.020 4.797) 5.724 12.507 ( -2.482 0.055 5.109) 5.680 12.585 ( 1.456 2.737 -0.595) 3.157 12.612 ( 2.534 1.216 -1.528) 3.199 12.734 ( 0.892 -1.435 -0.961) 1.944 12.770 ( 2.134 -4.340 0.603) 4.873 12.931 ( -1.692 9.559 0.558) 9.723 13.014 ( -2.821 2.214 -4.935) 6.100 13.081 ( -0.748 -3.394 -1.153) 3.661 13.121 ( 3.765 -5.842 1.565) 7.124 13.245 ( -0.508 0.233 0.338) 0.653 13.286 ( 4.139 -2.563 -1.830) 5.201 13.387 ( -5.360 1.115 1.781) 5.757 13.456 ( -2.526 -4.538 1.756) 5.482 13.559 ( 3.063 3.252 3.464) 5.653 13.608 ( 1.812 -0.400 4.612) 4.971 13.703 ( 1.581 1.944 -1.962) 3.183 13.750 ( 2.113 -2.255 -3.098) 4.376 14.097 ( 2.462 5.600 7.413) 9.612 14.209 ( -0.096 -6.803 4.849) 8.354 14.453 ( 1.601 7.566 -4.348) 8.872 14.545 ( 2.155 2.177 -5.666) 6.441 14.590 ( -2.784 4.984 0.050) 5.709 14.732 ( -3.889 7.801 -5.284) 10.193 14.745 ( 1.055 -8.708 0.838) 8.811 14.840 ( 0.632 -3.195 -4.043) 5.192 15.162 ( 3.519 8.873 -2.309) 9.821 15.309 ( 0.313 -4.583 -2.488) 5.224 15.393 ( 1.826 3.352 -1.104) 3.974 15.453 ( 1.512 -3.438 -2.047) 4.278 15.672 ( 2.887 5.641 0.400) 6.350 15.760 ( 2.177 -1.136 -1.345) 2.800 15.837 ( -1.512 3.849 -1.609) 4.438 15.940 ( -6.673 -3.636 -5.308) 9.269 16.155 ( -1.573 -1.052 3.831) 4.273 16.191 ( -2.479 -5.420 4.129) 7.251 16.252 ( 0.110 2.490 -0.469) 2.536 16.315 ( -2.675 -3.864 0.854) 4.776 16.622 ( 0.625 2.847 -0.571) 2.971 16.671 ( -1.390 -2.460 -1.199) 3.070 16.830 ( -1.559 1.592 -2.907) 3.663 16.867 ( -2.693 -1.946 -4.084) 5.265 19.277 ( -1.248 4.312 -0.636) 4.534 19.325 ( -2.391 1.709 -4.384) 5.278 19.440 ( -0.465 -2.001 3.138) 3.750 19.520 ( 0.739 -8.167 -2.732) 8.644 21.036 ( 0.828 5.540 0.981) 5.687 21.128 ( 2.640 -3.887 0.463) 4.721 21.165 ( -3.457 5.024 -0.147) 6.100 21.262 ( -1.752 -4.577 0.695) 4.950 25.054 ( -0.436 1.014 2.119) 2.389 25.083 ( 0.405 -2.305 1.544) 2.804 25.390 ( -1.768 1.850 1.948) 3.216 25.444 ( -3.264 -4.197 2.242) 5.771 26.025 ( 0.335 2.637 -2.258) 3.488 26.049 ( 0.192 0.152 -1.977) 1.992 26.227 ( 0.401 0.717 1.129) 1.397 26.236 ( -0.338 -0.265 0.483) 0.646 26.561 ( 1.392 3.844 4.148) 5.824 26.633 ( 0.979 -3.842 3.690) 5.416 27.094 ( -0.309 3.239 1.232) 3.479 27.133 ( -3.373 -1.089 -1.768) 3.961 27.236 ( -5.352 0.190 1.609) 5.592 27.270 ( 0.502 -3.422 1.794) 3.896 27.442 ( -4.600 1.793 -1.284) 5.101 27.473 ( -2.181 -1.382 -3.330) 4.213 27.593 ( 1.753 5.079 0.552) 5.401 27.685 ( 1.922 -4.351 1.451) 4.974 27.957 ( -5.459 6.434 -5.554) 10.102 28.053 ( -3.842 -4.436 -3.683) 6.929 28.223 ( 3.086 4.817 1.022) 5.811 28.290 ( 0.037 1.966 0.084) 1.968 28.354 ( 0.840 -2.350 0.714) 2.596 28.401 ( 4.203 1.877 3.682) 5.895 28.440 ( 0.727 1.210 -1.847) 2.324 28.516 ( -0.167 1.351 1.415) 1.963 28.717 ( 6.534 -6.606 0.504) 9.305 28.746 ( 6.700 -6.125 -0.992) 9.132 29.238 ( 9.629 3.877 2.311) 10.635 29.303 ( 9.205 -2.603 1.168) 9.637 29.422 ( -1.248 1.543 -0.561) 2.062 29.457 ( 1.061 -1.723 -6.016) 6.347 29.837 ( -0.090 5.814 4.009) 7.063 29.917 ( -1.995 -2.451 3.672) 4.844 30.199 ( -4.076 3.242 4.725) 7.032 30.253 ( -5.151 -3.184 1.518) 6.243 30.594 ( 8.282 2.972 -2.952) 9.280 30.696 ( 5.311 -7.982 -0.779) 9.619 30.995 ( -9.584 6.069 -1.667) 11.466 31.098 ( -10.068 -4.789 -2.180) 11.360 =================== 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 3/40800 10.0 2725.592 1771.191 1871.230 0.000 21.503 0.000 3/40800 20.0 255.633 171.770 263.574 0.000 17.679 0.000 3/40800 30.0 83.154 57.206 89.888 0.000 6.444 0.000 3/40800 40.0 41.697 29.277 45.447 0.000 3.255 0.000 3/40800 50.0 25.903 18.495 28.253 0.000 2.011 0.000 3/40800 60.0 18.182 13.162 19.814 0.000 1.404 0.000 3/40800 70.0 13.779 10.089 15.001 0.000 1.059 0.000 3/40800 80.0 10.998 8.130 11.962 0.000 0.842 0.000 3/40800 90.0 9.109 6.787 9.898 0.000 0.695 0.000 3/40800 100.0 7.755 5.817 8.419 0.000 0.590 0.000 3/40800 110.0 6.743 5.088 7.314 0.000 0.511 0.000 3/40800 120.0 5.962 4.521 6.462 0.000 0.451 0.000 3/40800 130.0 5.342 4.069 5.786 0.000 0.403 0.000 3/40800 140.0 4.840 3.701 5.238 0.000 0.364 0.000 3/40800 150.0 4.425 3.396 4.785 0.000 0.332 0.000 3/40800 160.0 4.077 3.139 4.406 0.000 0.305 0.000 3/40800 170.0 3.781 2.919 4.083 0.000 0.282 0.000 3/40800 180.0 3.527 2.730 3.806 0.000 0.262 0.000 3/40800 190.0 3.305 2.564 3.565 0.000 0.245 0.000 3/40800 200.0 3.111 2.419 3.353 0.000 0.230 0.000 3/40800 210.0 2.939 2.290 3.166 0.000 0.216 0.000 3/40800 220.0 2.786 2.174 2.999 0.000 0.204 0.000 3/40800 230.0 2.649 2.071 2.850 0.000 0.194 0.000 3/40800 240.0 2.525 1.977 2.716 0.000 0.184 0.000 3/40800 250.0 2.413 1.892 2.594 0.000 0.175 0.000 3/40800 260.0 2.311 1.814 2.483 0.000 0.167 0.000 3/40800 270.0 2.217 1.743 2.381 0.000 0.160 0.000 3/40800 280.0 2.132 1.678 2.288 0.000 0.153 0.000 3/40800 290.0 2.053 1.617 2.202 0.000 0.147 0.000 3/40800 300.0 1.979 1.561 2.123 0.000 0.142 0.000 3/40800 310.0 1.912 1.509 2.049 0.000 0.136 0.000 3/40800 320.0 1.849 1.460 1.980 0.000 0.131 0.000 3/40800 330.0 1.790 1.415 1.916 0.000 0.127 0.000 3/40800 340.0 1.734 1.372 1.857 0.000 0.123 0.000 3/40800 350.0 1.683 1.332 1.801 0.000 0.119 0.000 3/40800 360.0 1.634 1.295 1.748 0.000 0.115 0.000 3/40800 370.0 1.589 1.259 1.699 0.000 0.111 0.000 3/40800 380.0 1.545 1.226 1.652 0.000 0.108 0.000 3/40800 390.0 1.505 1.194 1.608 0.000 0.105 0.000 3/40800 400.0 1.466 1.164 1.566 0.000 0.102 0.000 3/40800 410.0 1.430 1.136 1.527 0.000 0.099 0.000 3/40800 420.0 1.395 1.109 1.489 0.000 0.097 0.000 3/40800 430.0 1.362 1.083 1.453 0.000 0.094 0.000 3/40800 440.0 1.330 1.058 1.419 0.000 0.092 0.000 3/40800 450.0 1.300 1.035 1.387 0.000 0.090 0.000 3/40800 460.0 1.272 1.012 1.356 0.000 0.087 0.000 3/40800 470.0 1.244 0.991 1.327 0.000 0.085 0.000 3/40800 480.0 1.218 0.970 1.298 0.000 0.083 0.000 3/40800 490.0 1.193 0.951 1.271 0.000 0.082 0.000 3/40800 500.0 1.169 0.932 1.245 0.000 0.080 0.000 3/40800 510.0 1.146 0.914 1.221 0.000 0.078 0.000 3/40800 520.0 1.124 0.896 1.197 0.000 0.076 0.000 3/40800 530.0 1.103 0.879 1.174 0.000 0.075 0.000 3/40800 540.0 1.082 0.863 1.152 0.000 0.073 0.000 3/40800 550.0 1.062 0.848 1.131 0.000 0.072 0.000 3/40800 560.0 1.043 0.833 1.110 0.000 0.070 0.000 3/40800 570.0 1.025 0.818 1.090 0.000 0.069 0.000 3/40800 580.0 1.007 0.804 1.071 0.000 0.068 0.000 3/40800 590.0 0.990 0.791 1.053 0.000 0.067 0.000 3/40800 600.0 0.974 0.778 1.035 0.000 0.065 0.000 3/40800 610.0 0.958 0.765 1.018 0.000 0.064 0.000 3/40800 620.0 0.942 0.753 1.002 0.000 0.063 0.000 3/40800 630.0 0.928 0.741 0.986 0.000 0.062 0.000 3/40800 640.0 0.913 0.730 0.970 0.000 0.061 0.000 3/40800 650.0 0.899 0.719 0.955 0.000 0.060 0.000 3/40800 660.0 0.885 0.708 0.941 0.000 0.059 0.000 3/40800 670.0 0.872 0.697 0.926 0.000 0.058 0.000 3/40800 680.0 0.859 0.687 0.913 0.000 0.057 0.000 3/40800 690.0 0.847 0.677 0.899 0.000 0.056 0.000 3/40800 700.0 0.835 0.668 0.887 0.000 0.055 0.000 3/40800 710.0 0.823 0.659 0.874 0.000 0.055 0.000 3/40800 720.0 0.812 0.650 0.862 0.000 0.054 0.000 3/40800 730.0 0.801 0.641 0.850 0.000 0.053 0.000 3/40800 740.0 0.790 0.632 0.838 0.000 0.052 0.000 3/40800 750.0 0.780 0.624 0.827 0.000 0.052 0.000 3/40800 760.0 0.769 0.616 0.816 0.000 0.051 0.000 3/40800 770.0 0.759 0.608 0.806 0.000 0.050 0.000 3/40800 780.0 0.750 0.600 0.795 0.000 0.049 0.000 3/40800 790.0 0.740 0.593 0.785 0.000 0.049 0.000 3/40800 800.0 0.731 0.585 0.775 0.000 0.048 0.000 3/40800 810.0 0.722 0.578 0.766 0.000 0.048 0.000 3/40800 820.0 0.713 0.571 0.756 0.000 0.047 0.000 3/40800 830.0 0.705 0.564 0.747 0.000 0.046 0.000 3/40800 840.0 0.696 0.558 0.738 0.000 0.046 0.000 3/40800 850.0 0.688 0.551 0.730 0.000 0.045 0.000 3/40800 860.0 0.680 0.545 0.721 0.000 0.045 0.000 3/40800 870.0 0.672 0.539 0.713 0.000 0.044 0.000 3/40800 880.0 0.665 0.533 0.705 0.000 0.044 0.000 3/40800 890.0 0.657 0.527 0.697 0.000 0.043 0.000 3/40800 900.0 0.650 0.521 0.689 0.000 0.043 0.000 3/40800 910.0 0.643 0.515 0.682 0.000 0.042 0.000 3/40800 920.0 0.636 0.510 0.674 0.000 0.042 0.000 3/40800 930.0 0.629 0.504 0.667 0.000 0.041 0.000 3/40800 940.0 0.623 0.499 0.660 0.000 0.041 0.000 3/40800 950.0 0.616 0.494 0.653 0.000 0.040 0.000 3/40800 960.0 0.610 0.489 0.646 0.000 0.040 0.000 3/40800 970.0 0.603 0.484 0.639 0.000 0.039 0.000 3/40800 980.0 0.597 0.479 0.633 0.000 0.039 0.000 3/40800 990.0 0.591 0.474 0.626 0.000 0.039 0.000 3/40800 1000.0 0.585 0.469 0.620 0.000 0.038 0.000 3/40800 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:17:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|