----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:00:18]------------------------- Compiled with OpenMP support (max 48 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: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.586376190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577016609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.729030009999995 Atomic positions (fractional): *1 O 0.45875112059676 0.85184159733179 0.06694953709916 15.999 2 O 0.95875112059676 0.64815840266821 0.93305046290084 15.999 3 O 0.54124887940324 0.35184159733179 0.43305046290083 15.999 4 O 0.04124887940324 0.14815840266821 0.56694953709916 15.999 5 O 0.54124887940324 0.14815840266821 0.93305046290084 15.999 6 O 0.04124887940324 0.35184159733179 0.06694953709916 15.999 7 O 0.45875112059676 0.64815840266821 0.56694953709916 15.999 8 O 0.95875112059676 0.85184159733179 0.43305046290083 15.999 *9 O 0.04085674231574 0.89329968498359 0.65778694760612 15.999 10 O 0.54085674231574 0.60670031501641 0.34221305239388 15.999 11 O 0.95914325768426 0.39329968498359 0.84221305239388 15.999 12 O 0.45914325768426 0.10670031501641 0.15778694760612 15.999 13 O 0.95914325768426 0.10670031501641 0.34221305239388 15.999 14 O 0.45914325768426 0.39329968498359 0.65778694760612 15.999 15 O 0.04085674231574 0.60670031501641 0.15778694760612 15.999 16 O 0.54085674231574 0.89329968498359 0.84221305239388 15.999 *17 O 0.38780057436000 0.98927380312971 0.40070121102749 15.999 18 O 0.88780057436000 0.51072619687029 0.59929878897251 15.999 19 O 0.61219942564000 0.48927380312971 0.09929878897251 15.999 20 O 0.11219942564000 0.01072619687029 0.90070121102749 15.999 21 O 0.61219942564000 0.01072619687029 0.59929878897251 15.999 22 O 0.11219942564000 0.48927380312971 0.40070121102749 15.999 23 O 0.38780057436000 0.51072619687029 0.90070121102749 15.999 24 O 0.88780057436000 0.98927380312971 0.09929878897251 15.999 *25 K 0.44543391930604 0.87731396163396 0.70047629678761 39.098 26 K 0.94543391930604 0.62268603836604 0.29952370321239 39.098 27 K 0.55456608069396 0.37731396163396 0.79952370321239 39.098 28 K 0.05456608069396 0.12268603836604 0.20047629678761 39.098 29 K 0.55456608069396 0.12268603836604 0.29952370321239 39.098 30 K 0.05456608069396 0.37731396163396 0.70047629678761 39.098 31 K 0.44543391930604 0.62268603836604 0.20047629678761 39.098 32 K 0.94543391930604 0.87731396163396 0.79952370321239 39.098 *33 K 0.26755645006716 0.68962531489500 0.44324668089511 39.098 34 K 0.76755645006716 0.81037468510500 0.55675331910489 39.098 35 K 0.73244354993284 0.18962531489500 0.05675331910489 39.098 36 K 0.23244354993284 0.31037468510500 0.94324668089511 39.098 37 K 0.73244354993284 0.31037468510500 0.55675331910489 39.098 38 K 0.23244354993284 0.18962531489500 0.44324668089511 39.098 39 K 0.26755645006716 0.81037468510500 0.94324668089511 39.098 40 K 0.76755645006716 0.68962531489500 0.05675331910489 39.098 *41 K 0.24719040718570 0.55452698927659 0.03407250246205 39.098 42 K 0.74719040718570 0.94547301072341 0.96592749753795 39.098 43 K 0.75280959281430 0.05452698927659 0.46592749753795 39.098 44 K 0.25280959281430 0.44547301072341 0.53407250246205 39.098 45 K 0.75280959281430 0.44547301072341 0.96592749753795 39.098 46 K 0.25280959281430 0.05452698927659 0.03407250246205 39.098 47 K 0.24719040718570 0.94547301072341 0.53407250246205 39.098 48 K 0.74719040718570 0.55452698927659 0.46592749753795 39.098 *49 K 0.12820935499410 0.66973015116032 0.65051962455129 39.098 50 K 0.62820935499410 0.83026984883968 0.34948037544871 39.098 51 K 0.87179064500590 0.16973015116032 0.84948037544871 39.098 52 K 0.37179064500590 0.33026984883967 0.15051962455129 39.098 53 K 0.87179064500590 0.33026984883967 0.34948037544871 39.098 54 K 0.37179064500590 0.16973015116032 0.65051962455129 39.098 55 K 0.12820935499410 0.83026984883968 0.15051962455129 39.098 56 K 0.62820935499410 0.66973015116032 0.84948037544871 39.098 *57 Pb 0.11354375272655 0.56161648532696 0.84463536957074 207.200 58 Pb 0.61354375272655 0.93838351467304 0.15536463042926 207.200 59 Pb 0.88645624727345 0.06161648532697 0.65536463042926 207.200 60 Pb 0.38645624727345 0.43838351467303 0.34463536957074 207.200 61 Pb 0.88645624727345 0.43838351467303 0.15536463042926 207.200 62 Pb 0.38645624727345 0.06161648532697 0.84463536957074 207.200 63 Pb 0.11354375272655 0.93838351467304 0.34463536957074 207.200 64 Pb 0.61354375272655 0.56161648532696 0.65536463042926 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.586376190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577016609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.729030009999995 Atomic positions (fractional): *1 O 0.45875112059676 0.85184159733179 0.06694953709916 15.999 > 1 2 O 0.95875112059676 0.64815840266821 0.93305046290084 15.999 > 2 3 O 0.54124887940324 0.35184159733179 0.43305046290083 15.999 > 3 4 O 0.04124887940324 0.14815840266821 0.56694953709916 15.999 > 4 5 O 0.54124887940324 0.14815840266821 0.93305046290084 15.999 > 5 6 O 0.04124887940324 0.35184159733179 0.06694953709916 15.999 > 6 7 O 0.45875112059676 0.64815840266821 0.56694953709916 15.999 > 7 8 O 0.95875112059676 0.85184159733179 0.43305046290083 15.999 > 8 *9 O 0.04085674231574 0.89329968498359 0.65778694760612 15.999 > 9 10 O 0.54085674231574 0.60670031501641 0.34221305239388 15.999 > 10 11 O 0.95914325768426 0.39329968498359 0.84221305239388 15.999 > 11 12 O 0.45914325768426 0.10670031501641 0.15778694760612 15.999 > 12 13 O 0.95914325768426 0.10670031501641 0.34221305239388 15.999 > 13 14 O 0.45914325768426 0.39329968498359 0.65778694760612 15.999 > 14 15 O 0.04085674231574 0.60670031501641 0.15778694760612 15.999 > 15 16 O 0.54085674231574 0.89329968498359 0.84221305239388 15.999 > 16 *17 O 0.38780057436000 0.98927380312971 0.40070121102749 15.999 > 17 18 O 0.88780057436000 0.51072619687029 0.59929878897251 15.999 > 18 19 O 0.61219942564000 0.48927380312971 0.09929878897251 15.999 > 19 20 O 0.11219942564000 0.01072619687029 0.90070121102749 15.999 > 20 21 O 0.61219942564000 0.01072619687029 0.59929878897251 15.999 > 21 22 O 0.11219942564000 0.48927380312971 0.40070121102749 15.999 > 22 23 O 0.38780057436000 0.51072619687029 0.90070121102749 15.999 > 23 24 O 0.88780057436000 0.98927380312971 0.09929878897251 15.999 > 24 *25 K 0.44543391930604 0.87731396163396 0.70047629678761 39.098 > 25 26 K 0.94543391930604 0.62268603836604 0.29952370321239 39.098 > 26 27 K 0.55456608069396 0.37731396163396 0.79952370321239 39.098 > 27 28 K 0.05456608069396 0.12268603836604 0.20047629678761 39.098 > 28 29 K 0.55456608069396 0.12268603836604 0.29952370321239 39.098 > 29 30 K 0.05456608069396 0.37731396163396 0.70047629678761 39.098 > 30 31 K 0.44543391930604 0.62268603836604 0.20047629678761 39.098 > 31 32 K 0.94543391930604 0.87731396163396 0.79952370321239 39.098 > 32 *33 K 0.26755645006716 0.68962531489500 0.44324668089511 39.098 > 33 34 K 0.76755645006716 0.81037468510500 0.55675331910489 39.098 > 34 35 K 0.73244354993284 0.18962531489500 0.05675331910489 39.098 > 35 36 K 0.23244354993284 0.31037468510500 0.94324668089511 39.098 > 36 37 K 0.73244354993284 0.31037468510500 0.55675331910489 39.098 > 37 38 K 0.23244354993284 0.18962531489500 0.44324668089511 39.098 > 38 39 K 0.26755645006716 0.81037468510500 0.94324668089511 39.098 > 39 40 K 0.76755645006716 0.68962531489500 0.05675331910489 39.098 > 40 *41 K 0.24719040718570 0.55452698927659 0.03407250246205 39.098 > 41 42 K 0.74719040718570 0.94547301072341 0.96592749753795 39.098 > 42 43 K 0.75280959281430 0.05452698927659 0.46592749753795 39.098 > 43 44 K 0.25280959281430 0.44547301072341 0.53407250246205 39.098 > 44 45 K 0.75280959281430 0.44547301072341 0.96592749753795 39.098 > 45 46 K 0.25280959281430 0.05452698927659 0.03407250246205 39.098 > 46 47 K 0.24719040718570 0.94547301072341 0.53407250246205 39.098 > 47 48 K 0.74719040718570 0.55452698927659 0.46592749753795 39.098 > 48 *49 K 0.12820935499410 0.66973015116032 0.65051962455129 39.098 > 49 50 K 0.62820935499410 0.83026984883968 0.34948037544871 39.098 > 50 51 K 0.87179064500590 0.16973015116032 0.84948037544871 39.098 > 51 52 K 0.37179064500590 0.33026984883967 0.15051962455129 39.098 > 52 53 K 0.87179064500590 0.33026984883967 0.34948037544871 39.098 > 53 54 K 0.37179064500590 0.16973015116032 0.65051962455129 39.098 > 54 55 K 0.12820935499410 0.83026984883968 0.15051962455129 39.098 > 55 56 K 0.62820935499410 0.66973015116032 0.84948037544871 39.098 > 56 *57 Pb 0.11354375272655 0.56161648532696 0.84463536957074 207.200 > 57 58 Pb 0.61354375272655 0.93838351467304 0.15536463042926 207.200 > 58 59 Pb 0.88645624727345 0.06161648532697 0.65536463042926 207.200 > 59 60 Pb 0.38645624727345 0.43838351467303 0.34463536957074 207.200 > 60 61 Pb 0.88645624727345 0.43838351467303 0.15536463042926 207.200 > 61 62 Pb 0.38645624727345 0.06161648532697 0.84463536957074 207.200 > 62 63 Pb 0.11354375272655 0.93838351467304 0.34463536957074 207.200 > 63 64 Pb 0.61354375272655 0.56161648532696 0.65536463042926 207.200 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.172752380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577016609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.729030009999995 Atomic positions (fractional): *1 O 0.22937556029838 0.85184159733179 0.06694953709916 15.999 > 1 2 O 0.72937556029838 0.85184159733179 0.06694953709916 15.999 > 1 3 O 0.47937556029838 0.64815840266821 0.93305046290084 15.999 > 2 4 O 0.97937556029838 0.64815840266821 0.93305046290084 15.999 > 2 5 O 0.27062443970162 0.35184159733179 0.43305046290083 15.999 > 3 6 O 0.77062443970162 0.35184159733179 0.43305046290083 15.999 > 3 7 O 0.02062443970162 0.14815840266821 0.56694953709916 15.999 > 4 8 O 0.52062443970162 0.14815840266821 0.56694953709916 15.999 > 4 9 O 0.27062443970162 0.14815840266821 0.93305046290084 15.999 > 5 10 O 0.77062443970162 0.14815840266821 0.93305046290084 15.999 > 5 11 O 0.02062443970162 0.35184159733179 0.06694953709916 15.999 > 6 12 O 0.52062443970162 0.35184159733179 0.06694953709916 15.999 > 6 13 O 0.22937556029838 0.64815840266821 0.56694953709916 15.999 > 7 14 O 0.72937556029838 0.64815840266821 0.56694953709916 15.999 > 7 15 O 0.47937556029838 0.85184159733179 0.43305046290083 15.999 > 8 16 O 0.97937556029838 0.85184159733179 0.43305046290083 15.999 > 8 *17 O 0.02042837115787 0.89329968498359 0.65778694760612 15.999 > 9 18 O 0.52042837115787 0.89329968498359 0.65778694760612 15.999 > 9 19 O 0.27042837115787 0.60670031501641 0.34221305239388 15.999 > 10 20 O 0.77042837115787 0.60670031501641 0.34221305239388 15.999 > 10 21 O 0.47957162884213 0.39329968498359 0.84221305239388 15.999 > 11 22 O 0.97957162884213 0.39329968498359 0.84221305239388 15.999 > 11 23 O 0.22957162884213 0.10670031501641 0.15778694760612 15.999 > 12 24 O 0.72957162884213 0.10670031501641 0.15778694760612 15.999 > 12 25 O 0.47957162884213 0.10670031501641 0.34221305239388 15.999 > 13 26 O 0.97957162884213 0.10670031501641 0.34221305239388 15.999 > 13 27 O 0.22957162884213 0.39329968498359 0.65778694760612 15.999 > 14 28 O 0.72957162884213 0.39329968498359 0.65778694760612 15.999 > 14 29 O 0.02042837115787 0.60670031501641 0.15778694760612 15.999 > 15 30 O 0.52042837115787 0.60670031501641 0.15778694760612 15.999 > 15 31 O 0.27042837115787 0.89329968498359 0.84221305239388 15.999 > 16 32 O 0.77042837115787 0.89329968498359 0.84221305239388 15.999 > 16 *33 O 0.19390028718000 0.98927380312971 0.40070121102749 15.999 > 17 34 O 0.69390028718000 0.98927380312971 0.40070121102749 15.999 > 17 35 O 0.44390028718000 0.51072619687029 0.59929878897251 15.999 > 18 36 O 0.94390028718000 0.51072619687029 0.59929878897251 15.999 > 18 37 O 0.30609971282000 0.48927380312971 0.09929878897251 15.999 > 19 38 O 0.80609971282000 0.48927380312971 0.09929878897251 15.999 > 19 39 O 0.05609971282000 0.01072619687029 0.90070121102749 15.999 > 20 40 O 0.55609971282000 0.01072619687029 0.90070121102749 15.999 > 20 41 O 0.30609971282000 0.01072619687029 0.59929878897251 15.999 > 21 42 O 0.80609971282000 0.01072619687029 0.59929878897251 15.999 > 21 43 O 0.05609971282000 0.48927380312971 0.40070121102749 15.999 > 22 44 O 0.55609971282000 0.48927380312971 0.40070121102749 15.999 > 22 45 O 0.19390028718000 0.51072619687029 0.90070121102749 15.999 > 23 46 O 0.69390028718000 0.51072619687029 0.90070121102749 15.999 > 23 47 O 0.44390028718000 0.98927380312971 0.09929878897251 15.999 > 24 48 O 0.94390028718000 0.98927380312971 0.09929878897251 15.999 > 24 *49 K 0.22271695965302 0.87731396163396 0.70047629678761 39.098 > 25 50 K 0.72271695965302 0.87731396163396 0.70047629678761 39.098 > 25 51 K 0.47271695965302 0.62268603836604 0.29952370321239 39.098 > 26 52 K 0.97271695965302 0.62268603836604 0.29952370321239 39.098 > 26 53 K 0.27728304034698 0.37731396163396 0.79952370321239 39.098 > 27 54 K 0.77728304034698 0.37731396163396 0.79952370321239 39.098 > 27 55 K 0.02728304034698 0.12268603836604 0.20047629678761 39.098 > 28 56 K 0.52728304034698 0.12268603836604 0.20047629678761 39.098 > 28 57 K 0.27728304034698 0.12268603836604 0.29952370321239 39.098 > 29 58 K 0.77728304034698 0.12268603836604 0.29952370321239 39.098 > 29 59 K 0.02728304034698 0.37731396163396 0.70047629678761 39.098 > 30 60 K 0.52728304034698 0.37731396163396 0.70047629678761 39.098 > 30 61 K 0.22271695965302 0.62268603836604 0.20047629678761 39.098 > 31 62 K 0.72271695965302 0.62268603836604 0.20047629678761 39.098 > 31 63 K 0.47271695965302 0.87731396163396 0.79952370321239 39.098 > 32 64 K 0.97271695965302 0.87731396163396 0.79952370321239 39.098 > 32 *65 K 0.13377822503358 0.68962531489500 0.44324668089511 39.098 > 33 66 K 0.63377822503358 0.68962531489500 0.44324668089511 39.098 > 33 67 K 0.38377822503358 0.81037468510500 0.55675331910489 39.098 > 34 68 K 0.88377822503358 0.81037468510500 0.55675331910489 39.098 > 34 69 K 0.36622177496642 0.18962531489500 0.05675331910489 39.098 > 35 70 K 0.86622177496642 0.18962531489500 0.05675331910489 39.098 > 35 71 K 0.11622177496642 0.31037468510500 0.94324668089511 39.098 > 36 72 K 0.61622177496642 0.31037468510500 0.94324668089511 39.098 > 36 73 K 0.36622177496642 0.31037468510500 0.55675331910489 39.098 > 37 74 K 0.86622177496642 0.31037468510500 0.55675331910489 39.098 > 37 75 K 0.11622177496642 0.18962531489500 0.44324668089511 39.098 > 38 76 K 0.61622177496642 0.18962531489500 0.44324668089511 39.098 > 38 77 K 0.13377822503358 0.81037468510500 0.94324668089511 39.098 > 39 78 K 0.63377822503358 0.81037468510500 0.94324668089511 39.098 > 39 79 K 0.38377822503358 0.68962531489500 0.05675331910489 39.098 > 40 80 K 0.88377822503358 0.68962531489500 0.05675331910489 39.098 > 40 *81 K 0.12359520359285 0.55452698927659 0.03407250246205 39.098 > 41 82 K 0.62359520359285 0.55452698927659 0.03407250246205 39.098 > 41 83 K 0.37359520359285 0.94547301072341 0.96592749753795 39.098 > 42 84 K 0.87359520359285 0.94547301072341 0.96592749753795 39.098 > 42 85 K 0.37640479640715 0.05452698927659 0.46592749753795 39.098 > 43 86 K 0.87640479640715 0.05452698927659 0.46592749753795 39.098 > 43 87 K 0.12640479640715 0.44547301072341 0.53407250246205 39.098 > 44 88 K 0.62640479640715 0.44547301072341 0.53407250246205 39.098 > 44 89 K 0.37640479640715 0.44547301072341 0.96592749753795 39.098 > 45 90 K 0.87640479640715 0.44547301072341 0.96592749753795 39.098 > 45 91 K 0.12640479640715 0.05452698927659 0.03407250246205 39.098 > 46 92 K 0.62640479640715 0.05452698927659 0.03407250246205 39.098 > 46 93 K 0.12359520359285 0.94547301072341 0.53407250246205 39.098 > 47 94 K 0.62359520359285 0.94547301072341 0.53407250246205 39.098 > 47 95 K 0.37359520359285 0.55452698927659 0.46592749753795 39.098 > 48 96 K 0.87359520359285 0.55452698927659 0.46592749753795 39.098 > 48 *97 K 0.06410467749705 0.66973015116032 0.65051962455129 39.098 > 49 98 K 0.56410467749705 0.66973015116032 0.65051962455129 39.098 > 49 99 K 0.31410467749705 0.83026984883968 0.34948037544871 39.098 > 50 100 K 0.81410467749705 0.83026984883968 0.34948037544871 39.098 > 50 101 K 0.43589532250295 0.16973015116032 0.84948037544871 39.098 > 51 102 K 0.93589532250295 0.16973015116032 0.84948037544871 39.098 > 51 103 K 0.18589532250295 0.33026984883967 0.15051962455129 39.098 > 52 104 K 0.68589532250295 0.33026984883967 0.15051962455129 39.098 > 52 105 K 0.43589532250295 0.33026984883967 0.34948037544871 39.098 > 53 106 K 0.93589532250295 0.33026984883967 0.34948037544871 39.098 > 53 107 K 0.18589532250295 0.16973015116032 0.65051962455129 39.098 > 54 108 K 0.68589532250295 0.16973015116032 0.65051962455129 39.098 > 54 109 K 0.06410467749705 0.83026984883968 0.15051962455129 39.098 > 55 110 K 0.56410467749705 0.83026984883968 0.15051962455129 39.098 > 55 111 K 0.31410467749705 0.66973015116032 0.84948037544871 39.098 > 56 112 K 0.81410467749705 0.66973015116032 0.84948037544871 39.098 > 56 *113 Pb 0.05677187636328 0.56161648532696 0.84463536957074 207.200 > 57 114 Pb 0.55677187636328 0.56161648532696 0.84463536957074 207.200 > 57 115 Pb 0.30677187636328 0.93838351467304 0.15536463042926 207.200 > 58 116 Pb 0.80677187636328 0.93838351467304 0.15536463042926 207.200 > 58 117 Pb 0.44322812363672 0.06161648532697 0.65536463042926 207.200 > 59 118 Pb 0.94322812363672 0.06161648532697 0.65536463042926 207.200 > 59 119 Pb 0.19322812363672 0.43838351467303 0.34463536957074 207.200 > 60 120 Pb 0.69322812363672 0.43838351467303 0.34463536957074 207.200 > 60 121 Pb 0.44322812363672 0.43838351467303 0.15536463042926 207.200 > 61 122 Pb 0.94322812363672 0.43838351467303 0.15536463042926 207.200 > 61 123 Pb 0.19322812363672 0.06161648532697 0.84463536957074 207.200 > 62 124 Pb 0.69322812363672 0.06161648532697 0.84463536957074 207.200 > 62 125 Pb 0.05677187636328 0.93838351467304 0.34463536957074 207.200 > 63 126 Pb 0.55677187636328 0.93838351467304 0.34463536957074 207.200 > 63 127 Pb 0.30677187636328 0.56161648532696 0.65536463042926 207.200 > 64 128 Pb 0.80677187636328 0.56161648532696 0.65536463042926 207.200 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6167769 0.0000000 0.0000000 0.0000000 3.6174839 0.0000000 0.0000000 0.0000000 3.5555601 -------------------------- Born effective charges -------------------------- 1 O -1.8325592 -0.2372260 -0.5470776 -0.3567806 -1.7852325 -0.5818325 -0.4340843 -0.3583635 -2.4104718 2 O -1.8325592 0.2372260 0.5470776 0.3567806 -1.7852325 -0.5818325 0.4340843 -0.3583635 -2.4104718 3 O -1.8325592 0.2372260 -0.5470776 0.3567806 -1.7852325 0.5818325 -0.4340843 0.3583635 -2.4104718 4 O -1.8325592 -0.2372260 0.5470776 -0.3567806 -1.7852325 0.5818325 0.4340843 0.3583635 -2.4104718 5 O -1.8325592 -0.2372260 -0.5470776 -0.3567806 -1.7852325 -0.5818325 -0.4340843 -0.3583635 -2.4104718 6 O -1.8325592 0.2372260 0.5470776 0.3567806 -1.7852325 -0.5818325 0.4340843 -0.3583635 -2.4104718 7 O -1.8325592 0.2372260 -0.5470776 0.3567806 -1.7852325 0.5818325 -0.4340843 0.3583635 -2.4104718 8 O -1.8325592 -0.2372260 0.5470776 -0.3567806 -1.7852325 0.5818325 0.4340843 0.3583635 -2.4104718 9 O -1.7725126 0.6414336 0.0099329 0.5513197 -2.7101776 -0.0957291 -0.1965534 0.1800808 -1.5439527 10 O -1.7725126 -0.6414336 -0.0099329 -0.5513197 -2.7101776 -0.0957291 0.1965534 0.1800808 -1.5439527 11 O -1.7725126 -0.6414336 0.0099329 -0.5513197 -2.7101776 0.0957291 -0.1965534 -0.1800808 -1.5439527 12 O -1.7725126 0.6414336 -0.0099329 0.5513197 -2.7101776 0.0957291 0.1965534 -0.1800808 -1.5439527 13 O -1.7725126 0.6414336 0.0099329 0.5513197 -2.7101776 -0.0957291 -0.1965534 0.1800808 -1.5439527 14 O -1.7725126 -0.6414336 -0.0099329 -0.5513197 -2.7101776 -0.0957291 0.1965534 0.1800808 -1.5439527 15 O -1.7725126 -0.6414336 0.0099329 -0.5513197 -2.7101776 0.0957291 -0.1965534 -0.1800808 -1.5439527 16 O -1.7725126 0.6414336 -0.0099329 0.5513197 -2.7101776 0.0957291 0.1965534 -0.1800808 -1.5439527 17 O -2.5920488 -0.3429403 -0.6488801 -0.1525420 -1.4951707 -0.2530606 -0.3502627 -0.2657730 -1.8449820 18 O -2.5920488 0.3429403 0.6488801 0.1525420 -1.4951707 -0.2530606 0.3502627 -0.2657730 -1.8449820 19 O -2.5920488 0.3429403 -0.6488801 0.1525420 -1.4951707 0.2530606 -0.3502627 0.2657730 -1.8449820 20 O -2.5920488 -0.3429403 0.6488801 -0.1525420 -1.4951707 0.2530606 0.3502627 0.2657730 -1.8449820 21 O -2.5920488 -0.3429403 -0.6488801 -0.1525420 -1.4951707 -0.2530606 -0.3502627 -0.2657730 -1.8449820 22 O -2.5920488 0.3429403 0.6488801 0.1525420 -1.4951707 -0.2530606 0.3502627 -0.2657730 -1.8449820 23 O -2.5920488 0.3429403 -0.6488801 0.1525420 -1.4951707 0.2530606 -0.3502627 0.2657730 -1.8449820 24 O -2.5920488 -0.3429403 0.6488801 -0.1525420 -1.4951707 0.2530606 0.3502627 0.2657730 -1.8449820 25 K 1.1532272 0.1005901 -0.1094174 0.0143523 1.1235426 0.0228600 -0.0840767 0.0539306 1.1347617 26 K 1.1532272 -0.1005901 0.1094174 -0.0143523 1.1235426 0.0228600 0.0840767 0.0539306 1.1347617 27 K 1.1532272 -0.1005901 -0.1094174 -0.0143523 1.1235426 -0.0228600 -0.0840767 -0.0539306 1.1347617 28 K 1.1532272 0.1005901 0.1094174 0.0143523 1.1235426 -0.0228600 0.0840767 -0.0539306 1.1347617 29 K 1.1532272 0.1005901 -0.1094174 0.0143523 1.1235426 0.0228600 -0.0840767 0.0539306 1.1347617 30 K 1.1532272 -0.1005901 0.1094174 -0.0143523 1.1235426 0.0228600 0.0840767 0.0539306 1.1347617 31 K 1.1532272 -0.1005901 -0.1094174 -0.0143523 1.1235426 -0.0228600 -0.0840767 -0.0539306 1.1347617 32 K 1.1532272 0.1005901 0.1094174 0.0143523 1.1235426 -0.0228600 0.0840767 -0.0539306 1.1347617 33 K 0.9564649 -0.1477693 0.0706410 -0.1981820 1.3341464 0.0282702 0.1114483 0.0234210 1.1477267 34 K 0.9564649 0.1477693 -0.0706410 0.1981820 1.3341464 0.0282702 -0.1114483 0.0234210 1.1477267 35 K 0.9564649 0.1477693 0.0706410 0.1981820 1.3341464 -0.0282702 0.1114483 -0.0234210 1.1477267 36 K 0.9564649 -0.1477693 -0.0706410 -0.1981820 1.3341464 -0.0282702 -0.1114483 -0.0234210 1.1477267 37 K 0.9564649 -0.1477693 0.0706410 -0.1981820 1.3341464 0.0282702 0.1114483 0.0234210 1.1477267 38 K 0.9564649 0.1477693 -0.0706410 0.1981820 1.3341464 0.0282702 -0.1114483 0.0234210 1.1477267 39 K 0.9564649 0.1477693 0.0706410 0.1981820 1.3341464 -0.0282702 0.1114483 -0.0234210 1.1477267 40 K 0.9564649 -0.1477693 -0.0706410 -0.1981820 1.3341464 -0.0282702 -0.1114483 -0.0234210 1.1477267 41 K 1.1687373 0.0737225 0.0378474 0.0503632 0.9290910 -0.1439836 0.0142919 -0.0828475 1.4150030 42 K 1.1687373 -0.0737225 -0.0378474 -0.0503632 0.9290910 -0.1439836 -0.0142919 -0.0828475 1.4150030 43 K 1.1687373 -0.0737225 0.0378474 -0.0503632 0.9290910 0.1439836 0.0142919 0.0828475 1.4150030 44 K 1.1687373 0.0737225 -0.0378474 0.0503632 0.9290910 0.1439836 -0.0142919 0.0828475 1.4150030 45 K 1.1687373 0.0737225 0.0378474 0.0503632 0.9290910 -0.1439836 0.0142919 -0.0828475 1.4150030 46 K 1.1687373 -0.0737225 -0.0378474 -0.0503632 0.9290910 -0.1439836 -0.0142919 -0.0828475 1.4150030 47 K 1.1687373 -0.0737225 0.0378474 -0.0503632 0.9290910 0.1439836 0.0142919 0.0828475 1.4150030 48 K 1.1687373 0.0737225 -0.0378474 0.0503632 0.9290910 0.1439836 -0.0142919 0.0828475 1.4150030 49 K 1.3272047 0.0449133 -0.0865436 0.0132062 1.1715330 0.0419792 -0.0343143 0.0118121 0.8360056 50 K 1.3272047 -0.0449133 0.0865436 -0.0132062 1.1715330 0.0419792 0.0343143 0.0118121 0.8360056 51 K 1.3272047 -0.0449133 -0.0865436 -0.0132062 1.1715330 -0.0419792 -0.0343143 -0.0118121 0.8360056 52 K 1.3272047 0.0449133 0.0865436 0.0132062 1.1715330 -0.0419792 0.0343143 -0.0118121 0.8360056 53 K 1.3272047 0.0449133 -0.0865436 0.0132062 1.1715330 0.0419792 -0.0343143 0.0118121 0.8360056 54 K 1.3272047 -0.0449133 0.0865436 -0.0132062 1.1715330 0.0419792 0.0343143 0.0118121 0.8360056 55 K 1.3272047 -0.0449133 -0.0865436 -0.0132062 1.1715330 -0.0419792 -0.0343143 -0.0118121 0.8360056 56 K 1.3272047 0.0449133 0.0865436 0.0132062 1.1715330 -0.0419792 0.0343143 -0.0118121 0.8360056 57 Pb 1.5914864 -0.0200352 0.0541586 -0.0219904 1.4322678 0.3540865 0.0794455 0.3596579 1.2659096 58 Pb 1.5914864 0.0200352 -0.0541586 0.0219904 1.4322678 0.3540865 -0.0794455 0.3596579 1.2659096 59 Pb 1.5914864 0.0200352 0.0541586 0.0219904 1.4322678 -0.3540865 0.0794455 -0.3596579 1.2659096 60 Pb 1.5914864 -0.0200352 -0.0541586 -0.0219904 1.4322678 -0.3540865 -0.0794455 -0.3596579 1.2659096 61 Pb 1.5914864 -0.0200352 0.0541586 -0.0219904 1.4322678 0.3540865 0.0794455 0.3596579 1.2659096 62 Pb 1.5914864 0.0200352 -0.0541586 0.0219904 1.4322678 0.3540865 -0.0794455 0.3596579 1.2659096 63 Pb 1.5914864 0.0200352 0.0541586 0.0219904 1.4322678 -0.3540865 0.0794455 -0.3596579 1.2659096 64 Pb 1.5914864 -0.0200352 -0.0541586 -0.0219904 1.4322678 -0.3540865 -0.0794455 -0.3596579 1.2659096 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 960 - Time: 2.005 Solver_block: 200 / 960 - Time: 2.048 Solver_block: 300 / 960 - Time: 1.932 Solver_block: 400 / 960 - Time: 1.953 Solver_block: 500 / 960 - Time: 2.016 Solver_block: 600 / 960 - Time: 2.025 Solver_block: 700 / 960 - Time: 2.013 Solver_block: 800 / 960 - Time: 1.993 Solver_block: 900 / 960 - Time: 1.929 Solver_block: 960 / 960 - Time: 1.275 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.607 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:01:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:01:33]------------------------- Compiled with OpenMP support (max 48 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.586376190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577016609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.729030009999995 Atomic positions (fractional): 1 O 0.45875112059676 0.85184159733179 0.06694953709916 15.999 2 O 0.95875112059676 0.64815840266821 0.93305046290084 15.999 3 O 0.54124887940324 0.35184159733179 0.43305046290083 15.999 4 O 0.04124887940324 0.14815840266821 0.56694953709916 15.999 5 O 0.54124887940324 0.14815840266821 0.93305046290084 15.999 6 O 0.04124887940324 0.35184159733179 0.06694953709916 15.999 7 O 0.45875112059676 0.64815840266821 0.56694953709916 15.999 8 O 0.95875112059676 0.85184159733179 0.43305046290083 15.999 9 O 0.04085674231574 0.89329968498359 0.65778694760612 15.999 10 O 0.54085674231574 0.60670031501641 0.34221305239388 15.999 11 O 0.95914325768426 0.39329968498359 0.84221305239388 15.999 12 O 0.45914325768426 0.10670031501641 0.15778694760612 15.999 13 O 0.95914325768426 0.10670031501641 0.34221305239388 15.999 14 O 0.45914325768426 0.39329968498359 0.65778694760612 15.999 15 O 0.04085674231574 0.60670031501641 0.15778694760612 15.999 16 O 0.54085674231574 0.89329968498359 0.84221305239388 15.999 17 O 0.38780057436000 0.98927380312971 0.40070121102749 15.999 18 O 0.88780057436000 0.51072619687029 0.59929878897251 15.999 19 O 0.61219942564000 0.48927380312971 0.09929878897251 15.999 20 O 0.11219942564000 0.01072619687029 0.90070121102749 15.999 21 O 0.61219942564000 0.01072619687029 0.59929878897251 15.999 22 O 0.11219942564000 0.48927380312971 0.40070121102749 15.999 23 O 0.38780057436000 0.51072619687029 0.90070121102749 15.999 24 O 0.88780057436000 0.98927380312971 0.09929878897251 15.999 25 K 0.44543391930604 0.87731396163396 0.70047629678761 39.098 26 K 0.94543391930604 0.62268603836604 0.29952370321239 39.098 27 K 0.55456608069396 0.37731396163396 0.79952370321239 39.098 28 K 0.05456608069396 0.12268603836604 0.20047629678761 39.098 29 K 0.55456608069396 0.12268603836604 0.29952370321239 39.098 30 K 0.05456608069396 0.37731396163396 0.70047629678761 39.098 31 K 0.44543391930604 0.62268603836604 0.20047629678761 39.098 32 K 0.94543391930604 0.87731396163396 0.79952370321239 39.098 33 K 0.26755645006716 0.68962531489500 0.44324668089511 39.098 34 K 0.76755645006716 0.81037468510500 0.55675331910489 39.098 35 K 0.73244354993284 0.18962531489500 0.05675331910489 39.098 36 K 0.23244354993284 0.31037468510500 0.94324668089511 39.098 37 K 0.73244354993284 0.31037468510500 0.55675331910489 39.098 38 K 0.23244354993284 0.18962531489500 0.44324668089511 39.098 39 K 0.26755645006716 0.81037468510500 0.94324668089511 39.098 40 K 0.76755645006716 0.68962531489500 0.05675331910489 39.098 41 K 0.24719040718570 0.55452698927659 0.03407250246205 39.098 42 K 0.74719040718570 0.94547301072341 0.96592749753795 39.098 43 K 0.75280959281430 0.05452698927659 0.46592749753795 39.098 44 K 0.25280959281430 0.44547301072341 0.53407250246205 39.098 45 K 0.75280959281430 0.44547301072341 0.96592749753795 39.098 46 K 0.25280959281430 0.05452698927659 0.03407250246205 39.098 47 K 0.24719040718570 0.94547301072341 0.53407250246205 39.098 48 K 0.74719040718570 0.55452698927659 0.46592749753795 39.098 49 K 0.12820935499410 0.66973015116032 0.65051962455129 39.098 50 K 0.62820935499410 0.83026984883968 0.34948037544871 39.098 51 K 0.87179064500590 0.16973015116032 0.84948037544871 39.098 52 K 0.37179064500590 0.33026984883967 0.15051962455129 39.098 53 K 0.87179064500590 0.33026984883967 0.34948037544871 39.098 54 K 0.37179064500590 0.16973015116032 0.65051962455129 39.098 55 K 0.12820935499410 0.83026984883968 0.15051962455129 39.098 56 K 0.62820935499410 0.66973015116032 0.84948037544871 39.098 57 Pb 0.11354375272655 0.56161648532696 0.84463536957074 207.200 58 Pb 0.61354375272655 0.93838351467304 0.15536463042926 207.200 59 Pb 0.88645624727345 0.06161648532697 0.65536463042926 207.200 60 Pb 0.38645624727345 0.43838351467303 0.34463536957074 207.200 61 Pb 0.88645624727345 0.43838351467303 0.15536463042926 207.200 62 Pb 0.38645624727345 0.06161648532697 0.84463536957074 207.200 63 Pb 0.11354375272655 0.93838351467304 0.34463536957074 207.200 64 Pb 0.61354375272655 0.56161648532696 0.65536463042926 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.172752380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577016609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.729030009999995 Atomic positions (fractional): 1 O 0.22937556029838 0.85184159733179 0.06694953709916 15.999 > 1 2 O 0.72937556029838 0.85184159733179 0.06694953709916 15.999 > 1 3 O 0.47937556029838 0.64815840266821 0.93305046290084 15.999 > 3 4 O 0.97937556029838 0.64815840266821 0.93305046290084 15.999 > 3 5 O 0.27062443970162 0.35184159733179 0.43305046290083 15.999 > 5 6 O 0.77062443970162 0.35184159733179 0.43305046290083 15.999 > 5 7 O 0.02062443970162 0.14815840266821 0.56694953709916 15.999 > 7 8 O 0.52062443970162 0.14815840266821 0.56694953709916 15.999 > 7 9 O 0.27062443970162 0.14815840266821 0.93305046290084 15.999 > 9 10 O 0.77062443970162 0.14815840266821 0.93305046290084 15.999 > 9 11 O 0.02062443970162 0.35184159733179 0.06694953709916 15.999 > 11 12 O 0.52062443970162 0.35184159733179 0.06694953709916 15.999 > 11 13 O 0.22937556029838 0.64815840266821 0.56694953709916 15.999 > 13 14 O 0.72937556029838 0.64815840266821 0.56694953709916 15.999 > 13 15 O 0.47937556029838 0.85184159733179 0.43305046290083 15.999 > 15 16 O 0.97937556029838 0.85184159733179 0.43305046290083 15.999 > 15 17 O 0.02042837115787 0.89329968498359 0.65778694760612 15.999 > 17 18 O 0.52042837115787 0.89329968498359 0.65778694760612 15.999 > 17 19 O 0.27042837115787 0.60670031501641 0.34221305239388 15.999 > 19 20 O 0.77042837115787 0.60670031501641 0.34221305239388 15.999 > 19 21 O 0.47957162884213 0.39329968498359 0.84221305239388 15.999 > 21 22 O 0.97957162884213 0.39329968498359 0.84221305239388 15.999 > 21 23 O 0.22957162884213 0.10670031501641 0.15778694760612 15.999 > 23 24 O 0.72957162884213 0.10670031501641 0.15778694760612 15.999 > 23 25 O 0.47957162884213 0.10670031501641 0.34221305239388 15.999 > 25 26 O 0.97957162884213 0.10670031501641 0.34221305239388 15.999 > 25 27 O 0.22957162884213 0.39329968498359 0.65778694760612 15.999 > 27 28 O 0.72957162884213 0.39329968498359 0.65778694760612 15.999 > 27 29 O 0.02042837115787 0.60670031501641 0.15778694760612 15.999 > 29 30 O 0.52042837115787 0.60670031501641 0.15778694760612 15.999 > 29 31 O 0.27042837115787 0.89329968498359 0.84221305239388 15.999 > 31 32 O 0.77042837115787 0.89329968498359 0.84221305239388 15.999 > 31 33 O 0.19390028718000 0.98927380312971 0.40070121102749 15.999 > 33 34 O 0.69390028718000 0.98927380312971 0.40070121102749 15.999 > 33 35 O 0.44390028718000 0.51072619687029 0.59929878897251 15.999 > 35 36 O 0.94390028718000 0.51072619687029 0.59929878897251 15.999 > 35 37 O 0.30609971282000 0.48927380312971 0.09929878897251 15.999 > 37 38 O 0.80609971282000 0.48927380312971 0.09929878897251 15.999 > 37 39 O 0.05609971282000 0.01072619687029 0.90070121102749 15.999 > 39 40 O 0.55609971282000 0.01072619687029 0.90070121102749 15.999 > 39 41 O 0.30609971282000 0.01072619687029 0.59929878897251 15.999 > 41 42 O 0.80609971282000 0.01072619687029 0.59929878897251 15.999 > 41 43 O 0.05609971282000 0.48927380312971 0.40070121102749 15.999 > 43 44 O 0.55609971282000 0.48927380312971 0.40070121102749 15.999 > 43 45 O 0.19390028718000 0.51072619687029 0.90070121102749 15.999 > 45 46 O 0.69390028718000 0.51072619687029 0.90070121102749 15.999 > 45 47 O 0.44390028718000 0.98927380312971 0.09929878897251 15.999 > 47 48 O 0.94390028718000 0.98927380312971 0.09929878897251 15.999 > 47 49 K 0.22271695965302 0.87731396163396 0.70047629678761 39.098 > 49 50 K 0.72271695965302 0.87731396163396 0.70047629678761 39.098 > 49 51 K 0.47271695965302 0.62268603836604 0.29952370321239 39.098 > 51 52 K 0.97271695965302 0.62268603836604 0.29952370321239 39.098 > 51 53 K 0.27728304034698 0.37731396163396 0.79952370321239 39.098 > 53 54 K 0.77728304034698 0.37731396163396 0.79952370321239 39.098 > 53 55 K 0.02728304034698 0.12268603836604 0.20047629678761 39.098 > 55 56 K 0.52728304034698 0.12268603836604 0.20047629678761 39.098 > 55 57 K 0.27728304034698 0.12268603836604 0.29952370321239 39.098 > 57 58 K 0.77728304034698 0.12268603836604 0.29952370321239 39.098 > 57 59 K 0.02728304034698 0.37731396163396 0.70047629678761 39.098 > 59 60 K 0.52728304034698 0.37731396163396 0.70047629678761 39.098 > 59 61 K 0.22271695965302 0.62268603836604 0.20047629678761 39.098 > 61 62 K 0.72271695965302 0.62268603836604 0.20047629678761 39.098 > 61 63 K 0.47271695965302 0.87731396163396 0.79952370321239 39.098 > 63 64 K 0.97271695965302 0.87731396163396 0.79952370321239 39.098 > 63 65 K 0.13377822503358 0.68962531489500 0.44324668089511 39.098 > 65 66 K 0.63377822503358 0.68962531489500 0.44324668089511 39.098 > 65 67 K 0.38377822503358 0.81037468510500 0.55675331910489 39.098 > 67 68 K 0.88377822503358 0.81037468510500 0.55675331910489 39.098 > 67 69 K 0.36622177496642 0.18962531489500 0.05675331910489 39.098 > 69 70 K 0.86622177496642 0.18962531489500 0.05675331910489 39.098 > 69 71 K 0.11622177496642 0.31037468510500 0.94324668089511 39.098 > 71 72 K 0.61622177496642 0.31037468510500 0.94324668089511 39.098 > 71 73 K 0.36622177496642 0.31037468510500 0.55675331910489 39.098 > 73 74 K 0.86622177496642 0.31037468510500 0.55675331910489 39.098 > 73 75 K 0.11622177496642 0.18962531489500 0.44324668089511 39.098 > 75 76 K 0.61622177496642 0.18962531489500 0.44324668089511 39.098 > 75 77 K 0.13377822503358 0.81037468510500 0.94324668089511 39.098 > 77 78 K 0.63377822503358 0.81037468510500 0.94324668089511 39.098 > 77 79 K 0.38377822503358 0.68962531489500 0.05675331910489 39.098 > 79 80 K 0.88377822503358 0.68962531489500 0.05675331910489 39.098 > 79 81 K 0.12359520359285 0.55452698927659 0.03407250246205 39.098 > 81 82 K 0.62359520359285 0.55452698927659 0.03407250246205 39.098 > 81 83 K 0.37359520359285 0.94547301072341 0.96592749753795 39.098 > 83 84 K 0.87359520359285 0.94547301072341 0.96592749753795 39.098 > 83 85 K 0.37640479640715 0.05452698927659 0.46592749753795 39.098 > 85 86 K 0.87640479640715 0.05452698927659 0.46592749753795 39.098 > 85 87 K 0.12640479640715 0.44547301072341 0.53407250246205 39.098 > 87 88 K 0.62640479640715 0.44547301072341 0.53407250246205 39.098 > 87 89 K 0.37640479640715 0.44547301072341 0.96592749753795 39.098 > 89 90 K 0.87640479640715 0.44547301072341 0.96592749753795 39.098 > 89 91 K 0.12640479640715 0.05452698927659 0.03407250246205 39.098 > 91 92 K 0.62640479640715 0.05452698927659 0.03407250246205 39.098 > 91 93 K 0.12359520359285 0.94547301072341 0.53407250246205 39.098 > 93 94 K 0.62359520359285 0.94547301072341 0.53407250246205 39.098 > 93 95 K 0.37359520359285 0.55452698927659 0.46592749753795 39.098 > 95 96 K 0.87359520359285 0.55452698927659 0.46592749753795 39.098 > 95 97 K 0.06410467749705 0.66973015116032 0.65051962455129 39.098 > 97 98 K 0.56410467749705 0.66973015116032 0.65051962455129 39.098 > 97 99 K 0.31410467749705 0.83026984883968 0.34948037544871 39.098 > 99 100 K 0.81410467749705 0.83026984883968 0.34948037544871 39.098 > 99 101 K 0.43589532250295 0.16973015116032 0.84948037544871 39.098 > 101 102 K 0.93589532250295 0.16973015116032 0.84948037544871 39.098 > 101 103 K 0.18589532250295 0.33026984883967 0.15051962455129 39.098 > 103 104 K 0.68589532250295 0.33026984883967 0.15051962455129 39.098 > 103 105 K 0.43589532250295 0.33026984883967 0.34948037544871 39.098 > 105 106 K 0.93589532250295 0.33026984883967 0.34948037544871 39.098 > 105 107 K 0.18589532250295 0.16973015116032 0.65051962455129 39.098 > 107 108 K 0.68589532250295 0.16973015116032 0.65051962455129 39.098 > 107 109 K 0.06410467749705 0.83026984883968 0.15051962455129 39.098 > 109 110 K 0.56410467749705 0.83026984883968 0.15051962455129 39.098 > 109 111 K 0.31410467749705 0.66973015116032 0.84948037544871 39.098 > 111 112 K 0.81410467749705 0.66973015116032 0.84948037544871 39.098 > 111 113 Pb 0.05677187636328 0.56161648532696 0.84463536957074 207.200 > 113 114 Pb 0.55677187636328 0.56161648532696 0.84463536957074 207.200 > 113 115 Pb 0.30677187636328 0.93838351467304 0.15536463042926 207.200 > 115 116 Pb 0.80677187636328 0.93838351467304 0.15536463042926 207.200 > 115 117 Pb 0.44322812363672 0.06161648532697 0.65536463042926 207.200 > 117 118 Pb 0.94322812363672 0.06161648532697 0.65536463042926 207.200 > 117 119 Pb 0.19322812363672 0.43838351467303 0.34463536957074 207.200 > 119 120 Pb 0.69322812363672 0.43838351467303 0.34463536957074 207.200 > 119 121 Pb 0.44322812363672 0.43838351467303 0.15536463042926 207.200 > 121 122 Pb 0.94322812363672 0.43838351467303 0.15536463042926 207.200 > 121 123 Pb 0.19322812363672 0.06161648532697 0.84463536957074 207.200 > 123 124 Pb 0.69322812363672 0.06161648532697 0.84463536957074 207.200 > 123 125 Pb 0.05677187636328 0.93838351467304 0.34463536957074 207.200 > 125 126 Pb 0.55677187636328 0.93838351467304 0.34463536957074 207.200 > 125 127 Pb 0.30677187636328 0.56161648532696 0.65536463042926 207.200 > 127 128 Pb 0.80677187636328 0.56161648532696 0.65536463042926 207.200 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6167769 0.0000000 0.0000000 0.0000000 3.6174839 0.0000000 0.0000000 0.0000000 3.5555601 -------------------------- Born effective charges -------------------------- 1 O -1.8325592 -0.2372260 -0.5470776 -0.3567806 -1.7852325 -0.5818325 -0.4340843 -0.3583635 -2.4104718 2 O -1.8325592 0.2372260 0.5470776 0.3567806 -1.7852325 -0.5818325 0.4340843 -0.3583635 -2.4104718 3 O -1.8325592 0.2372260 -0.5470776 0.3567806 -1.7852325 0.5818325 -0.4340843 0.3583635 -2.4104718 4 O -1.8325592 -0.2372260 0.5470776 -0.3567806 -1.7852325 0.5818325 0.4340843 0.3583635 -2.4104718 5 O -1.8325592 -0.2372260 -0.5470776 -0.3567806 -1.7852325 -0.5818325 -0.4340843 -0.3583635 -2.4104718 6 O -1.8325592 0.2372260 0.5470776 0.3567806 -1.7852325 -0.5818325 0.4340843 -0.3583635 -2.4104718 7 O -1.8325592 0.2372260 -0.5470776 0.3567806 -1.7852325 0.5818325 -0.4340843 0.3583635 -2.4104718 8 O -1.8325592 -0.2372260 0.5470776 -0.3567806 -1.7852325 0.5818325 0.4340843 0.3583635 -2.4104718 9 O -1.7725126 0.6414336 0.0099329 0.5513197 -2.7101776 -0.0957291 -0.1965534 0.1800808 -1.5439527 10 O -1.7725126 -0.6414336 -0.0099329 -0.5513197 -2.7101776 -0.0957291 0.1965534 0.1800808 -1.5439527 11 O -1.7725126 -0.6414336 0.0099329 -0.5513197 -2.7101776 0.0957291 -0.1965534 -0.1800808 -1.5439527 12 O -1.7725126 0.6414336 -0.0099329 0.5513197 -2.7101776 0.0957291 0.1965534 -0.1800808 -1.5439527 13 O -1.7725126 0.6414336 0.0099329 0.5513197 -2.7101776 -0.0957291 -0.1965534 0.1800808 -1.5439527 14 O -1.7725126 -0.6414336 -0.0099329 -0.5513197 -2.7101776 -0.0957291 0.1965534 0.1800808 -1.5439527 15 O -1.7725126 -0.6414336 0.0099329 -0.5513197 -2.7101776 0.0957291 -0.1965534 -0.1800808 -1.5439527 16 O -1.7725126 0.6414336 -0.0099329 0.5513197 -2.7101776 0.0957291 0.1965534 -0.1800808 -1.5439527 17 O -2.5920488 -0.3429403 -0.6488801 -0.1525420 -1.4951707 -0.2530606 -0.3502627 -0.2657730 -1.8449820 18 O -2.5920488 0.3429403 0.6488801 0.1525420 -1.4951707 -0.2530606 0.3502627 -0.2657730 -1.8449820 19 O -2.5920488 0.3429403 -0.6488801 0.1525420 -1.4951707 0.2530606 -0.3502627 0.2657730 -1.8449820 20 O -2.5920488 -0.3429403 0.6488801 -0.1525420 -1.4951707 0.2530606 0.3502627 0.2657730 -1.8449820 21 O -2.5920488 -0.3429403 -0.6488801 -0.1525420 -1.4951707 -0.2530606 -0.3502627 -0.2657730 -1.8449820 22 O -2.5920488 0.3429403 0.6488801 0.1525420 -1.4951707 -0.2530606 0.3502627 -0.2657730 -1.8449820 23 O -2.5920488 0.3429403 -0.6488801 0.1525420 -1.4951707 0.2530606 -0.3502627 0.2657730 -1.8449820 24 O -2.5920488 -0.3429403 0.6488801 -0.1525420 -1.4951707 0.2530606 0.3502627 0.2657730 -1.8449820 25 K 1.1532272 0.1005901 -0.1094174 0.0143523 1.1235426 0.0228600 -0.0840767 0.0539306 1.1347617 26 K 1.1532272 -0.1005901 0.1094174 -0.0143523 1.1235426 0.0228600 0.0840767 0.0539306 1.1347617 27 K 1.1532272 -0.1005901 -0.1094174 -0.0143523 1.1235426 -0.0228600 -0.0840767 -0.0539306 1.1347617 28 K 1.1532272 0.1005901 0.1094174 0.0143523 1.1235426 -0.0228600 0.0840767 -0.0539306 1.1347617 29 K 1.1532272 0.1005901 -0.1094174 0.0143523 1.1235426 0.0228600 -0.0840767 0.0539306 1.1347617 30 K 1.1532272 -0.1005901 0.1094174 -0.0143523 1.1235426 0.0228600 0.0840767 0.0539306 1.1347617 31 K 1.1532272 -0.1005901 -0.1094174 -0.0143523 1.1235426 -0.0228600 -0.0840767 -0.0539306 1.1347617 32 K 1.1532272 0.1005901 0.1094174 0.0143523 1.1235426 -0.0228600 0.0840767 -0.0539306 1.1347617 33 K 0.9564649 -0.1477693 0.0706410 -0.1981820 1.3341464 0.0282702 0.1114483 0.0234210 1.1477267 34 K 0.9564649 0.1477693 -0.0706410 0.1981820 1.3341464 0.0282702 -0.1114483 0.0234210 1.1477267 35 K 0.9564649 0.1477693 0.0706410 0.1981820 1.3341464 -0.0282702 0.1114483 -0.0234210 1.1477267 36 K 0.9564649 -0.1477693 -0.0706410 -0.1981820 1.3341464 -0.0282702 -0.1114483 -0.0234210 1.1477267 37 K 0.9564649 -0.1477693 0.0706410 -0.1981820 1.3341464 0.0282702 0.1114483 0.0234210 1.1477267 38 K 0.9564649 0.1477693 -0.0706410 0.1981820 1.3341464 0.0282702 -0.1114483 0.0234210 1.1477267 39 K 0.9564649 0.1477693 0.0706410 0.1981820 1.3341464 -0.0282702 0.1114483 -0.0234210 1.1477267 40 K 0.9564649 -0.1477693 -0.0706410 -0.1981820 1.3341464 -0.0282702 -0.1114483 -0.0234210 1.1477267 41 K 1.1687373 0.0737225 0.0378474 0.0503632 0.9290910 -0.1439836 0.0142919 -0.0828475 1.4150030 42 K 1.1687373 -0.0737225 -0.0378474 -0.0503632 0.9290910 -0.1439836 -0.0142919 -0.0828475 1.4150030 43 K 1.1687373 -0.0737225 0.0378474 -0.0503632 0.9290910 0.1439836 0.0142919 0.0828475 1.4150030 44 K 1.1687373 0.0737225 -0.0378474 0.0503632 0.9290910 0.1439836 -0.0142919 0.0828475 1.4150030 45 K 1.1687373 0.0737225 0.0378474 0.0503632 0.9290910 -0.1439836 0.0142919 -0.0828475 1.4150030 46 K 1.1687373 -0.0737225 -0.0378474 -0.0503632 0.9290910 -0.1439836 -0.0142919 -0.0828475 1.4150030 47 K 1.1687373 -0.0737225 0.0378474 -0.0503632 0.9290910 0.1439836 0.0142919 0.0828475 1.4150030 48 K 1.1687373 0.0737225 -0.0378474 0.0503632 0.9290910 0.1439836 -0.0142919 0.0828475 1.4150030 49 K 1.3272047 0.0449133 -0.0865436 0.0132062 1.1715330 0.0419792 -0.0343143 0.0118121 0.8360056 50 K 1.3272047 -0.0449133 0.0865436 -0.0132062 1.1715330 0.0419792 0.0343143 0.0118121 0.8360056 51 K 1.3272047 -0.0449133 -0.0865436 -0.0132062 1.1715330 -0.0419792 -0.0343143 -0.0118121 0.8360056 52 K 1.3272047 0.0449133 0.0865436 0.0132062 1.1715330 -0.0419792 0.0343143 -0.0118121 0.8360056 53 K 1.3272047 0.0449133 -0.0865436 0.0132062 1.1715330 0.0419792 -0.0343143 0.0118121 0.8360056 54 K 1.3272047 -0.0449133 0.0865436 -0.0132062 1.1715330 0.0419792 0.0343143 0.0118121 0.8360056 55 K 1.3272047 -0.0449133 -0.0865436 -0.0132062 1.1715330 -0.0419792 -0.0343143 -0.0118121 0.8360056 56 K 1.3272047 0.0449133 0.0865436 0.0132062 1.1715330 -0.0419792 0.0343143 -0.0118121 0.8360056 57 Pb 1.5914864 -0.0200352 0.0541586 -0.0219904 1.4322678 0.3540865 0.0794455 0.3596579 1.2659096 58 Pb 1.5914864 0.0200352 -0.0541586 0.0219904 1.4322678 0.3540865 -0.0794455 0.3596579 1.2659096 59 Pb 1.5914864 0.0200352 0.0541586 0.0219904 1.4322678 -0.3540865 0.0794455 -0.3596579 1.2659096 60 Pb 1.5914864 -0.0200352 -0.0541586 -0.0219904 1.4322678 -0.3540865 -0.0794455 -0.3596579 1.2659096 61 Pb 1.5914864 -0.0200352 0.0541586 -0.0219904 1.4322678 0.3540865 0.0794455 0.3596579 1.2659096 62 Pb 1.5914864 0.0200352 -0.0541586 0.0219904 1.4322678 0.3540865 -0.0794455 0.3596579 1.2659096 63 Pb 1.5914864 0.0200352 0.0541586 0.0219904 1.4322678 -0.3540865 0.0794455 -0.3596579 1.2659096 64 Pb 1.5914864 -0.0200352 -0.0541586 -0.0219904 1.4322678 -0.3540865 -0.0794455 -0.3596579 1.2659096 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 05:02:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:02:32]------------------------- Compiled with OpenMP support (max 48 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.586376190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577016609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.729030009999995 Atomic positions (fractional): 1 O 0.45875112059676 0.85184159733179 0.06694953709916 15.999 2 O 0.95875112059676 0.64815840266821 0.93305046290084 15.999 3 O 0.54124887940324 0.35184159733179 0.43305046290083 15.999 4 O 0.04124887940324 0.14815840266821 0.56694953709916 15.999 5 O 0.54124887940324 0.14815840266821 0.93305046290084 15.999 6 O 0.04124887940324 0.35184159733179 0.06694953709916 15.999 7 O 0.45875112059676 0.64815840266821 0.56694953709916 15.999 8 O 0.95875112059676 0.85184159733179 0.43305046290083 15.999 9 O 0.04085674231574 0.89329968498359 0.65778694760612 15.999 10 O 0.54085674231574 0.60670031501641 0.34221305239388 15.999 11 O 0.95914325768426 0.39329968498359 0.84221305239388 15.999 12 O 0.45914325768426 0.10670031501641 0.15778694760612 15.999 13 O 0.95914325768426 0.10670031501641 0.34221305239388 15.999 14 O 0.45914325768426 0.39329968498359 0.65778694760612 15.999 15 O 0.04085674231574 0.60670031501641 0.15778694760612 15.999 16 O 0.54085674231574 0.89329968498359 0.84221305239388 15.999 17 O 0.38780057436000 0.98927380312971 0.40070121102749 15.999 18 O 0.88780057436000 0.51072619687029 0.59929878897251 15.999 19 O 0.61219942564000 0.48927380312971 0.09929878897251 15.999 20 O 0.11219942564000 0.01072619687029 0.90070121102749 15.999 21 O 0.61219942564000 0.01072619687029 0.59929878897251 15.999 22 O 0.11219942564000 0.48927380312971 0.40070121102749 15.999 23 O 0.38780057436000 0.51072619687029 0.90070121102749 15.999 24 O 0.88780057436000 0.98927380312971 0.09929878897251 15.999 25 K 0.44543391930604 0.87731396163396 0.70047629678761 39.098 26 K 0.94543391930604 0.62268603836604 0.29952370321239 39.098 27 K 0.55456608069396 0.37731396163396 0.79952370321239 39.098 28 K 0.05456608069396 0.12268603836604 0.20047629678761 39.098 29 K 0.55456608069396 0.12268603836604 0.29952370321239 39.098 30 K 0.05456608069396 0.37731396163396 0.70047629678761 39.098 31 K 0.44543391930604 0.62268603836604 0.20047629678761 39.098 32 K 0.94543391930604 0.87731396163396 0.79952370321239 39.098 33 K 0.26755645006716 0.68962531489500 0.44324668089511 39.098 34 K 0.76755645006716 0.81037468510500 0.55675331910489 39.098 35 K 0.73244354993284 0.18962531489500 0.05675331910489 39.098 36 K 0.23244354993284 0.31037468510500 0.94324668089511 39.098 37 K 0.73244354993284 0.31037468510500 0.55675331910489 39.098 38 K 0.23244354993284 0.18962531489500 0.44324668089511 39.098 39 K 0.26755645006716 0.81037468510500 0.94324668089511 39.098 40 K 0.76755645006716 0.68962531489500 0.05675331910489 39.098 41 K 0.24719040718570 0.55452698927659 0.03407250246205 39.098 42 K 0.74719040718570 0.94547301072341 0.96592749753795 39.098 43 K 0.75280959281430 0.05452698927659 0.46592749753795 39.098 44 K 0.25280959281430 0.44547301072341 0.53407250246205 39.098 45 K 0.75280959281430 0.44547301072341 0.96592749753795 39.098 46 K 0.25280959281430 0.05452698927659 0.03407250246205 39.098 47 K 0.24719040718570 0.94547301072341 0.53407250246205 39.098 48 K 0.74719040718570 0.55452698927659 0.46592749753795 39.098 49 K 0.12820935499410 0.66973015116032 0.65051962455129 39.098 50 K 0.62820935499410 0.83026984883968 0.34948037544871 39.098 51 K 0.87179064500590 0.16973015116032 0.84948037544871 39.098 52 K 0.37179064500590 0.33026984883967 0.15051962455129 39.098 53 K 0.87179064500590 0.33026984883967 0.34948037544871 39.098 54 K 0.37179064500590 0.16973015116032 0.65051962455129 39.098 55 K 0.12820935499410 0.83026984883968 0.15051962455129 39.098 56 K 0.62820935499410 0.66973015116032 0.84948037544871 39.098 57 Pb 0.11354375272655 0.56161648532696 0.84463536957074 207.200 58 Pb 0.61354375272655 0.93838351467304 0.15536463042926 207.200 59 Pb 0.88645624727345 0.06161648532697 0.65536463042926 207.200 60 Pb 0.38645624727345 0.43838351467303 0.34463536957074 207.200 61 Pb 0.88645624727345 0.43838351467303 0.15536463042926 207.200 62 Pb 0.38645624727345 0.06161648532697 0.84463536957074 207.200 63 Pb 0.11354375272655 0.93838351467304 0.34463536957074 207.200 64 Pb 0.61354375272655 0.56161648532696 0.65536463042926 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.172752380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577016609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 18.729030009999995 Atomic positions (fractional): 1 O 0.22937556029838 0.85184159733179 0.06694953709916 15.999 > 1 2 O 0.72937556029838 0.85184159733179 0.06694953709916 15.999 > 1 3 O 0.47937556029838 0.64815840266821 0.93305046290084 15.999 > 3 4 O 0.97937556029838 0.64815840266821 0.93305046290084 15.999 > 3 5 O 0.27062443970162 0.35184159733179 0.43305046290083 15.999 > 5 6 O 0.77062443970162 0.35184159733179 0.43305046290083 15.999 > 5 7 O 0.02062443970162 0.14815840266821 0.56694953709916 15.999 > 7 8 O 0.52062443970162 0.14815840266821 0.56694953709916 15.999 > 7 9 O 0.27062443970162 0.14815840266821 0.93305046290084 15.999 > 9 10 O 0.77062443970162 0.14815840266821 0.93305046290084 15.999 > 9 11 O 0.02062443970162 0.35184159733179 0.06694953709916 15.999 > 11 12 O 0.52062443970162 0.35184159733179 0.06694953709916 15.999 > 11 13 O 0.22937556029838 0.64815840266821 0.56694953709916 15.999 > 13 14 O 0.72937556029838 0.64815840266821 0.56694953709916 15.999 > 13 15 O 0.47937556029838 0.85184159733179 0.43305046290083 15.999 > 15 16 O 0.97937556029838 0.85184159733179 0.43305046290083 15.999 > 15 17 O 0.02042837115787 0.89329968498359 0.65778694760612 15.999 > 17 18 O 0.52042837115787 0.89329968498359 0.65778694760612 15.999 > 17 19 O 0.27042837115787 0.60670031501641 0.34221305239388 15.999 > 19 20 O 0.77042837115787 0.60670031501641 0.34221305239388 15.999 > 19 21 O 0.47957162884213 0.39329968498359 0.84221305239388 15.999 > 21 22 O 0.97957162884213 0.39329968498359 0.84221305239388 15.999 > 21 23 O 0.22957162884213 0.10670031501641 0.15778694760612 15.999 > 23 24 O 0.72957162884213 0.10670031501641 0.15778694760612 15.999 > 23 25 O 0.47957162884213 0.10670031501641 0.34221305239388 15.999 > 25 26 O 0.97957162884213 0.10670031501641 0.34221305239388 15.999 > 25 27 O 0.22957162884213 0.39329968498359 0.65778694760612 15.999 > 27 28 O 0.72957162884213 0.39329968498359 0.65778694760612 15.999 > 27 29 O 0.02042837115787 0.60670031501641 0.15778694760612 15.999 > 29 30 O 0.52042837115787 0.60670031501641 0.15778694760612 15.999 > 29 31 O 0.27042837115787 0.89329968498359 0.84221305239388 15.999 > 31 32 O 0.77042837115787 0.89329968498359 0.84221305239388 15.999 > 31 33 O 0.19390028718000 0.98927380312971 0.40070121102749 15.999 > 33 34 O 0.69390028718000 0.98927380312971 0.40070121102749 15.999 > 33 35 O 0.44390028718000 0.51072619687029 0.59929878897251 15.999 > 35 36 O 0.94390028718000 0.51072619687029 0.59929878897251 15.999 > 35 37 O 0.30609971282000 0.48927380312971 0.09929878897251 15.999 > 37 38 O 0.80609971282000 0.48927380312971 0.09929878897251 15.999 > 37 39 O 0.05609971282000 0.01072619687029 0.90070121102749 15.999 > 39 40 O 0.55609971282000 0.01072619687029 0.90070121102749 15.999 > 39 41 O 0.30609971282000 0.01072619687029 0.59929878897251 15.999 > 41 42 O 0.80609971282000 0.01072619687029 0.59929878897251 15.999 > 41 43 O 0.05609971282000 0.48927380312971 0.40070121102749 15.999 > 43 44 O 0.55609971282000 0.48927380312971 0.40070121102749 15.999 > 43 45 O 0.19390028718000 0.51072619687029 0.90070121102749 15.999 > 45 46 O 0.69390028718000 0.51072619687029 0.90070121102749 15.999 > 45 47 O 0.44390028718000 0.98927380312971 0.09929878897251 15.999 > 47 48 O 0.94390028718000 0.98927380312971 0.09929878897251 15.999 > 47 49 K 0.22271695965302 0.87731396163396 0.70047629678761 39.098 > 49 50 K 0.72271695965302 0.87731396163396 0.70047629678761 39.098 > 49 51 K 0.47271695965302 0.62268603836604 0.29952370321239 39.098 > 51 52 K 0.97271695965302 0.62268603836604 0.29952370321239 39.098 > 51 53 K 0.27728304034698 0.37731396163396 0.79952370321239 39.098 > 53 54 K 0.77728304034698 0.37731396163396 0.79952370321239 39.098 > 53 55 K 0.02728304034698 0.12268603836604 0.20047629678761 39.098 > 55 56 K 0.52728304034698 0.12268603836604 0.20047629678761 39.098 > 55 57 K 0.27728304034698 0.12268603836604 0.29952370321239 39.098 > 57 58 K 0.77728304034698 0.12268603836604 0.29952370321239 39.098 > 57 59 K 0.02728304034698 0.37731396163396 0.70047629678761 39.098 > 59 60 K 0.52728304034698 0.37731396163396 0.70047629678761 39.098 > 59 61 K 0.22271695965302 0.62268603836604 0.20047629678761 39.098 > 61 62 K 0.72271695965302 0.62268603836604 0.20047629678761 39.098 > 61 63 K 0.47271695965302 0.87731396163396 0.79952370321239 39.098 > 63 64 K 0.97271695965302 0.87731396163396 0.79952370321239 39.098 > 63 65 K 0.13377822503358 0.68962531489500 0.44324668089511 39.098 > 65 66 K 0.63377822503358 0.68962531489500 0.44324668089511 39.098 > 65 67 K 0.38377822503358 0.81037468510500 0.55675331910489 39.098 > 67 68 K 0.88377822503358 0.81037468510500 0.55675331910489 39.098 > 67 69 K 0.36622177496642 0.18962531489500 0.05675331910489 39.098 > 69 70 K 0.86622177496642 0.18962531489500 0.05675331910489 39.098 > 69 71 K 0.11622177496642 0.31037468510500 0.94324668089511 39.098 > 71 72 K 0.61622177496642 0.31037468510500 0.94324668089511 39.098 > 71 73 K 0.36622177496642 0.31037468510500 0.55675331910489 39.098 > 73 74 K 0.86622177496642 0.31037468510500 0.55675331910489 39.098 > 73 75 K 0.11622177496642 0.18962531489500 0.44324668089511 39.098 > 75 76 K 0.61622177496642 0.18962531489500 0.44324668089511 39.098 > 75 77 K 0.13377822503358 0.81037468510500 0.94324668089511 39.098 > 77 78 K 0.63377822503358 0.81037468510500 0.94324668089511 39.098 > 77 79 K 0.38377822503358 0.68962531489500 0.05675331910489 39.098 > 79 80 K 0.88377822503358 0.68962531489500 0.05675331910489 39.098 > 79 81 K 0.12359520359285 0.55452698927659 0.03407250246205 39.098 > 81 82 K 0.62359520359285 0.55452698927659 0.03407250246205 39.098 > 81 83 K 0.37359520359285 0.94547301072341 0.96592749753795 39.098 > 83 84 K 0.87359520359285 0.94547301072341 0.96592749753795 39.098 > 83 85 K 0.37640479640715 0.05452698927659 0.46592749753795 39.098 > 85 86 K 0.87640479640715 0.05452698927659 0.46592749753795 39.098 > 85 87 K 0.12640479640715 0.44547301072341 0.53407250246205 39.098 > 87 88 K 0.62640479640715 0.44547301072341 0.53407250246205 39.098 > 87 89 K 0.37640479640715 0.44547301072341 0.96592749753795 39.098 > 89 90 K 0.87640479640715 0.44547301072341 0.96592749753795 39.098 > 89 91 K 0.12640479640715 0.05452698927659 0.03407250246205 39.098 > 91 92 K 0.62640479640715 0.05452698927659 0.03407250246205 39.098 > 91 93 K 0.12359520359285 0.94547301072341 0.53407250246205 39.098 > 93 94 K 0.62359520359285 0.94547301072341 0.53407250246205 39.098 > 93 95 K 0.37359520359285 0.55452698927659 0.46592749753795 39.098 > 95 96 K 0.87359520359285 0.55452698927659 0.46592749753795 39.098 > 95 97 K 0.06410467749705 0.66973015116032 0.65051962455129 39.098 > 97 98 K 0.56410467749705 0.66973015116032 0.65051962455129 39.098 > 97 99 K 0.31410467749705 0.83026984883968 0.34948037544871 39.098 > 99 100 K 0.81410467749705 0.83026984883968 0.34948037544871 39.098 > 99 101 K 0.43589532250295 0.16973015116032 0.84948037544871 39.098 > 101 102 K 0.93589532250295 0.16973015116032 0.84948037544871 39.098 > 101 103 K 0.18589532250295 0.33026984883967 0.15051962455129 39.098 > 103 104 K 0.68589532250295 0.33026984883967 0.15051962455129 39.098 > 103 105 K 0.43589532250295 0.33026984883967 0.34948037544871 39.098 > 105 106 K 0.93589532250295 0.33026984883967 0.34948037544871 39.098 > 105 107 K 0.18589532250295 0.16973015116032 0.65051962455129 39.098 > 107 108 K 0.68589532250295 0.16973015116032 0.65051962455129 39.098 > 107 109 K 0.06410467749705 0.83026984883968 0.15051962455129 39.098 > 109 110 K 0.56410467749705 0.83026984883968 0.15051962455129 39.098 > 109 111 K 0.31410467749705 0.66973015116032 0.84948037544871 39.098 > 111 112 K 0.81410467749705 0.66973015116032 0.84948037544871 39.098 > 111 113 Pb 0.05677187636328 0.56161648532696 0.84463536957074 207.200 > 113 114 Pb 0.55677187636328 0.56161648532696 0.84463536957074 207.200 > 113 115 Pb 0.30677187636328 0.93838351467304 0.15536463042926 207.200 > 115 116 Pb 0.80677187636328 0.93838351467304 0.15536463042926 207.200 > 115 117 Pb 0.44322812363672 0.06161648532697 0.65536463042926 207.200 > 117 118 Pb 0.94322812363672 0.06161648532697 0.65536463042926 207.200 > 117 119 Pb 0.19322812363672 0.43838351467303 0.34463536957074 207.200 > 119 120 Pb 0.69322812363672 0.43838351467303 0.34463536957074 207.200 > 119 121 Pb 0.44322812363672 0.43838351467303 0.15536463042926 207.200 > 121 122 Pb 0.94322812363672 0.43838351467303 0.15536463042926 207.200 > 121 123 Pb 0.19322812363672 0.06161648532697 0.84463536957074 207.200 > 123 124 Pb 0.69322812363672 0.06161648532697 0.84463536957074 207.200 > 123 125 Pb 0.05677187636328 0.93838351467304 0.34463536957074 207.200 > 125 126 Pb 0.55677187636328 0.93838351467304 0.34463536957074 207.200 > 125 127 Pb 0.30677187636328 0.56161648532696 0.65536463042926 207.200 > 127 128 Pb 0.80677187636328 0.56161648532696 0.65536463042926 207.200 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6167769 0.0000000 0.0000000 0.0000000 3.6174839 0.0000000 0.0000000 0.0000000 3.5555601 -------------------------- Born effective charges -------------------------- 1 O -1.8325592 -0.2372260 -0.5470776 -0.3567806 -1.7852325 -0.5818325 -0.4340843 -0.3583635 -2.4104718 2 O -1.8325592 0.2372260 0.5470776 0.3567806 -1.7852325 -0.5818325 0.4340843 -0.3583635 -2.4104718 3 O -1.8325592 0.2372260 -0.5470776 0.3567806 -1.7852325 0.5818325 -0.4340843 0.3583635 -2.4104718 4 O -1.8325592 -0.2372260 0.5470776 -0.3567806 -1.7852325 0.5818325 0.4340843 0.3583635 -2.4104718 5 O -1.8325592 -0.2372260 -0.5470776 -0.3567806 -1.7852325 -0.5818325 -0.4340843 -0.3583635 -2.4104718 6 O -1.8325592 0.2372260 0.5470776 0.3567806 -1.7852325 -0.5818325 0.4340843 -0.3583635 -2.4104718 7 O -1.8325592 0.2372260 -0.5470776 0.3567806 -1.7852325 0.5818325 -0.4340843 0.3583635 -2.4104718 8 O -1.8325592 -0.2372260 0.5470776 -0.3567806 -1.7852325 0.5818325 0.4340843 0.3583635 -2.4104718 9 O -1.7725126 0.6414336 0.0099329 0.5513197 -2.7101776 -0.0957291 -0.1965534 0.1800808 -1.5439527 10 O -1.7725126 -0.6414336 -0.0099329 -0.5513197 -2.7101776 -0.0957291 0.1965534 0.1800808 -1.5439527 11 O -1.7725126 -0.6414336 0.0099329 -0.5513197 -2.7101776 0.0957291 -0.1965534 -0.1800808 -1.5439527 12 O -1.7725126 0.6414336 -0.0099329 0.5513197 -2.7101776 0.0957291 0.1965534 -0.1800808 -1.5439527 13 O -1.7725126 0.6414336 0.0099329 0.5513197 -2.7101776 -0.0957291 -0.1965534 0.1800808 -1.5439527 14 O -1.7725126 -0.6414336 -0.0099329 -0.5513197 -2.7101776 -0.0957291 0.1965534 0.1800808 -1.5439527 15 O -1.7725126 -0.6414336 0.0099329 -0.5513197 -2.7101776 0.0957291 -0.1965534 -0.1800808 -1.5439527 16 O -1.7725126 0.6414336 -0.0099329 0.5513197 -2.7101776 0.0957291 0.1965534 -0.1800808 -1.5439527 17 O -2.5920488 -0.3429403 -0.6488801 -0.1525420 -1.4951707 -0.2530606 -0.3502627 -0.2657730 -1.8449820 18 O -2.5920488 0.3429403 0.6488801 0.1525420 -1.4951707 -0.2530606 0.3502627 -0.2657730 -1.8449820 19 O -2.5920488 0.3429403 -0.6488801 0.1525420 -1.4951707 0.2530606 -0.3502627 0.2657730 -1.8449820 20 O -2.5920488 -0.3429403 0.6488801 -0.1525420 -1.4951707 0.2530606 0.3502627 0.2657730 -1.8449820 21 O -2.5920488 -0.3429403 -0.6488801 -0.1525420 -1.4951707 -0.2530606 -0.3502627 -0.2657730 -1.8449820 22 O -2.5920488 0.3429403 0.6488801 0.1525420 -1.4951707 -0.2530606 0.3502627 -0.2657730 -1.8449820 23 O -2.5920488 0.3429403 -0.6488801 0.1525420 -1.4951707 0.2530606 -0.3502627 0.2657730 -1.8449820 24 O -2.5920488 -0.3429403 0.6488801 -0.1525420 -1.4951707 0.2530606 0.3502627 0.2657730 -1.8449820 25 K 1.1532272 0.1005901 -0.1094174 0.0143523 1.1235426 0.0228600 -0.0840767 0.0539306 1.1347617 26 K 1.1532272 -0.1005901 0.1094174 -0.0143523 1.1235426 0.0228600 0.0840767 0.0539306 1.1347617 27 K 1.1532272 -0.1005901 -0.1094174 -0.0143523 1.1235426 -0.0228600 -0.0840767 -0.0539306 1.1347617 28 K 1.1532272 0.1005901 0.1094174 0.0143523 1.1235426 -0.0228600 0.0840767 -0.0539306 1.1347617 29 K 1.1532272 0.1005901 -0.1094174 0.0143523 1.1235426 0.0228600 -0.0840767 0.0539306 1.1347617 30 K 1.1532272 -0.1005901 0.1094174 -0.0143523 1.1235426 0.0228600 0.0840767 0.0539306 1.1347617 31 K 1.1532272 -0.1005901 -0.1094174 -0.0143523 1.1235426 -0.0228600 -0.0840767 -0.0539306 1.1347617 32 K 1.1532272 0.1005901 0.1094174 0.0143523 1.1235426 -0.0228600 0.0840767 -0.0539306 1.1347617 33 K 0.9564649 -0.1477693 0.0706410 -0.1981820 1.3341464 0.0282702 0.1114483 0.0234210 1.1477267 34 K 0.9564649 0.1477693 -0.0706410 0.1981820 1.3341464 0.0282702 -0.1114483 0.0234210 1.1477267 35 K 0.9564649 0.1477693 0.0706410 0.1981820 1.3341464 -0.0282702 0.1114483 -0.0234210 1.1477267 36 K 0.9564649 -0.1477693 -0.0706410 -0.1981820 1.3341464 -0.0282702 -0.1114483 -0.0234210 1.1477267 37 K 0.9564649 -0.1477693 0.0706410 -0.1981820 1.3341464 0.0282702 0.1114483 0.0234210 1.1477267 38 K 0.9564649 0.1477693 -0.0706410 0.1981820 1.3341464 0.0282702 -0.1114483 0.0234210 1.1477267 39 K 0.9564649 0.1477693 0.0706410 0.1981820 1.3341464 -0.0282702 0.1114483 -0.0234210 1.1477267 40 K 0.9564649 -0.1477693 -0.0706410 -0.1981820 1.3341464 -0.0282702 -0.1114483 -0.0234210 1.1477267 41 K 1.1687373 0.0737225 0.0378474 0.0503632 0.9290910 -0.1439836 0.0142919 -0.0828475 1.4150030 42 K 1.1687373 -0.0737225 -0.0378474 -0.0503632 0.9290910 -0.1439836 -0.0142919 -0.0828475 1.4150030 43 K 1.1687373 -0.0737225 0.0378474 -0.0503632 0.9290910 0.1439836 0.0142919 0.0828475 1.4150030 44 K 1.1687373 0.0737225 -0.0378474 0.0503632 0.9290910 0.1439836 -0.0142919 0.0828475 1.4150030 45 K 1.1687373 0.0737225 0.0378474 0.0503632 0.9290910 -0.1439836 0.0142919 -0.0828475 1.4150030 46 K 1.1687373 -0.0737225 -0.0378474 -0.0503632 0.9290910 -0.1439836 -0.0142919 -0.0828475 1.4150030 47 K 1.1687373 -0.0737225 0.0378474 -0.0503632 0.9290910 0.1439836 0.0142919 0.0828475 1.4150030 48 K 1.1687373 0.0737225 -0.0378474 0.0503632 0.9290910 0.1439836 -0.0142919 0.0828475 1.4150030 49 K 1.3272047 0.0449133 -0.0865436 0.0132062 1.1715330 0.0419792 -0.0343143 0.0118121 0.8360056 50 K 1.3272047 -0.0449133 0.0865436 -0.0132062 1.1715330 0.0419792 0.0343143 0.0118121 0.8360056 51 K 1.3272047 -0.0449133 -0.0865436 -0.0132062 1.1715330 -0.0419792 -0.0343143 -0.0118121 0.8360056 52 K 1.3272047 0.0449133 0.0865436 0.0132062 1.1715330 -0.0419792 0.0343143 -0.0118121 0.8360056 53 K 1.3272047 0.0449133 -0.0865436 0.0132062 1.1715330 0.0419792 -0.0343143 0.0118121 0.8360056 54 K 1.3272047 -0.0449133 0.0865436 -0.0132062 1.1715330 0.0419792 0.0343143 0.0118121 0.8360056 55 K 1.3272047 -0.0449133 -0.0865436 -0.0132062 1.1715330 -0.0419792 -0.0343143 -0.0118121 0.8360056 56 K 1.3272047 0.0449133 0.0865436 0.0132062 1.1715330 -0.0419792 0.0343143 -0.0118121 0.8360056 57 Pb 1.5914864 -0.0200352 0.0541586 -0.0219904 1.4322678 0.3540865 0.0794455 0.3596579 1.2659096 58 Pb 1.5914864 0.0200352 -0.0541586 0.0219904 1.4322678 0.3540865 -0.0794455 0.3596579 1.2659096 59 Pb 1.5914864 0.0200352 0.0541586 0.0219904 1.4322678 -0.3540865 0.0794455 -0.3596579 1.2659096 60 Pb 1.5914864 -0.0200352 -0.0541586 -0.0219904 1.4322678 -0.3540865 -0.0794455 -0.3596579 1.2659096 61 Pb 1.5914864 -0.0200352 0.0541586 -0.0219904 1.4322678 0.3540865 0.0794455 0.3596579 1.2659096 62 Pb 1.5914864 0.0200352 -0.0541586 0.0219904 1.4322678 0.3540865 -0.0794455 0.3596579 1.2659096 63 Pb 1.5914864 0.0200352 0.0541586 0.0219904 1.4322678 -0.3540865 0.0794455 -0.3596579 1.2659096 64 Pb 1.5914864 -0.0200352 -0.0541586 -0.0219904 1.4322678 -0.3540865 -0.0794455 -0.3596579 1.2659096 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 3 ] 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: 0.37, Number of G-points: 313, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30 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 0.745 ( 0.000 0.000 0.000) 0.000 0.822 ( 0.000 0.000 0.000) 0.000 0.931 ( 0.000 0.000 0.000) 0.000 0.993 ( 0.000 0.000 0.000) 0.000 1.071 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.574 ( 0.000 0.000 0.000) 0.000 1.620 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.924 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.674 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 11.532 ( 0.000 0.000 0.000) 0.000 11.654 ( 0.000 0.000 0.000) 0.000 11.799 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 11.843 ( 0.000 0.000 0.000) 0.000 11.881 ( 0.000 0.000 0.000) 0.000 11.895 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 11.956 ( 0.000 0.000 0.000) 0.000 11.958 ( 0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 0.000) 0.000 12.315 ( 0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 12.901 ( 0.000 0.000 0.000) 0.000 13.073 ( 0.000 0.000 0.000) 0.000 13.704 ( 0.000 0.000 0.000) 0.000 13.856 ( 0.000 0.000 0.000) 0.000 13.928 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.451 ( 0.000 0.000 0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 14.567 ( 0.000 0.000 0.000) 0.000 14.618 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 17.683 0.000 0.000) 17.683 0.363 ( 18.895 0.000 0.000) 18.895 0.699 ( 34.659 0.000 0.000) 34.659 0.891 ( 6.881 0.000 0.000) 6.881 0.956 ( 17.086 0.000 0.000) 17.086 0.983 ( 5.535 0.000 0.000) 5.535 1.041 ( -0.332 0.000 0.000) 0.332 1.053 ( 7.334 0.000 0.000) 7.334 1.396 ( 7.645 0.000 0.000) 7.645 1.438 ( 10.275 0.000 0.000) 10.275 1.447 ( 5.519 0.000 0.000) 5.519 1.512 ( 1.116 0.000 0.000) 1.116 1.613 ( -0.775 0.000 0.000) 0.775 1.618 ( 5.565 0.000 0.000) 5.565 1.628 ( -3.619 0.000 0.000) 3.619 1.632 ( 5.613 0.000 0.000) 5.613 1.685 ( 0.059 0.000 0.000) 0.059 1.704 ( 1.410 0.000 0.000) 1.410 1.847 ( 4.384 0.000 0.000) 4.384 1.873 ( -5.021 0.000 0.000) 5.021 2.015 ( -3.743 0.000 0.000) 3.743 2.043 ( -3.051 0.000 0.000) 3.051 2.108 ( -1.791 0.000 0.000) 1.791 2.127 ( -8.682 0.000 0.000) 8.682 2.201 ( 0.911 0.000 0.000) 0.911 2.207 ( -3.568 0.000 0.000) 3.568 2.257 ( -0.195 0.000 0.000) 0.195 2.259 ( -2.672 0.000 0.000) 2.672 2.334 ( -4.257 0.000 0.000) 4.257 2.343 ( 0.160 0.000 0.000) 0.160 2.344 ( -3.642 0.000 0.000) 3.642 2.356 ( -4.338 0.000 0.000) 4.338 2.493 ( -0.430 0.000 0.000) 0.430 2.496 ( -7.437 0.000 0.000) 7.437 2.512 ( -5.975 0.000 0.000) 5.975 2.542 ( -6.055 0.000 0.000) 6.055 2.613 ( 2.059 0.000 0.000) 2.059 2.624 ( -0.129 0.000 0.000) 0.129 2.644 ( 0.037 0.000 0.000) 0.037 2.696 ( -6.504 0.000 0.000) 6.504 2.727 ( -3.997 0.000 0.000) 3.997 2.740 ( 1.512 0.000 0.000) 1.512 2.743 ( -2.461 0.000 0.000) 2.461 2.814 ( 4.436 0.000 0.000) 4.436 2.817 ( -2.705 0.000 0.000) 2.705 2.890 ( 2.021 0.000 0.000) 2.021 2.935 ( -4.038 0.000 0.000) 4.038 2.953 ( -0.367 0.000 0.000) 0.367 3.013 ( -2.881 0.000 0.000) 2.881 3.047 ( -3.544 0.000 0.000) 3.544 3.066 ( 7.852 0.000 0.000) 7.852 3.077 ( 1.413 0.000 0.000) 1.413 3.092 ( -2.583 0.000 0.000) 2.583 3.101 ( -0.653 0.000 0.000) 0.653 3.119 ( 3.635 0.000 0.000) 3.635 3.156 ( -0.200 0.000 0.000) 0.200 3.187 ( 3.527 0.000 0.000) 3.527 3.193 ( -2.629 0.000 0.000) 2.629 3.229 ( -1.727 0.000 0.000) 1.727 3.276 ( 1.713 0.000 0.000) 1.713 3.289 ( -0.157 0.000 0.000) 0.157 3.291 ( 0.084 0.000 0.000) 0.084 3.291 ( -0.616 0.000 0.000) 0.616 3.363 ( 4.125 0.000 0.000) 4.125 3.389 ( 1.469 0.000 0.000) 1.469 3.397 ( 4.081 0.000 0.000) 4.081 3.432 ( -1.251 0.000 0.000) 1.251 3.451 ( 2.486 0.000 0.000) 2.486 3.463 ( 3.485 0.000 0.000) 3.485 3.489 ( -2.270 0.000 0.000) 2.270 3.560 ( -4.405 0.000 0.000) 4.405 3.564 ( -1.000 0.000 0.000) 1.000 3.581 ( -0.983 0.000 0.000) 0.983 3.596 ( -1.834 0.000 0.000) 1.834 3.678 ( 1.961 0.000 0.000) 1.961 3.679 ( 0.738 0.000 0.000) 0.738 3.697 ( -7.138 0.000 0.000) 7.138 3.796 ( 4.018 0.000 0.000) 4.018 3.856 ( 6.056 0.000 0.000) 6.056 3.950 ( 3.342 0.000 0.000) 3.342 3.967 ( -5.743 0.000 0.000) 5.743 4.078 ( 4.485 0.000 0.000) 4.485 4.096 ( -9.462 0.000 0.000) 9.462 4.139 ( 4.268 0.000 0.000) 4.268 4.152 ( -5.481 0.000 0.000) 5.481 4.259 ( 2.596 0.000 0.000) 2.596 4.263 ( -7.797 0.000 0.000) 7.797 4.277 ( 2.825 0.000 0.000) 2.825 4.327 ( -5.507 0.000 0.000) 5.507 4.352 ( 2.053 0.000 0.000) 2.053 4.353 ( -3.360 0.000 0.000) 3.360 4.362 ( -0.282 0.000 0.000) 0.282 4.403 ( 6.375 0.000 0.000) 6.375 4.422 ( -5.089 0.000 0.000) 5.089 4.453 ( -1.715 0.000 0.000) 1.715 4.576 ( -0.170 0.000 0.000) 0.170 4.595 ( 6.303 0.000 0.000) 6.303 4.623 ( -1.953 0.000 0.000) 1.953 4.637 ( 4.783 0.000 0.000) 4.783 4.669 ( 0.580 0.000 0.000) 0.580 4.673 ( -5.540 0.000 0.000) 5.540 4.683 ( -3.404 0.000 0.000) 3.404 4.773 ( 0.491 0.000 0.000) 0.491 4.815 ( 3.228 0.000 0.000) 3.228 4.822 ( 1.681 0.000 0.000) 1.681 4.822 ( 3.100 0.000 0.000) 3.100 4.891 ( -0.491 0.000 0.000) 0.491 4.946 ( -0.745 0.000 0.000) 0.745 5.015 ( 0.471 0.000 0.000) 0.471 5.016 ( 1.457 0.000 0.000) 1.457 5.110 ( -3.079 0.000 0.000) 3.079 5.173 ( -5.407 0.000 0.000) 5.407 5.175 ( -0.059 0.000 0.000) 0.059 5.200 ( -2.267 0.000 0.000) 2.267 5.242 ( -2.312 0.000 0.000) 2.312 5.243 ( -1.850 0.000 0.000) 1.850 5.324 ( 1.699 0.000 0.000) 1.699 5.391 ( -0.295 0.000 0.000) 0.295 5.421 ( 0.270 0.000 0.000) 0.270 5.494 ( 2.578 0.000 0.000) 2.578 5.513 ( 0.720 0.000 0.000) 0.720 5.531 ( 2.310 0.000 0.000) 2.310 5.567 ( 4.178 0.000 0.000) 4.178 5.634 ( 4.660 0.000 0.000) 4.660 5.695 ( 0.674 0.000 0.000) 0.674 5.788 ( -2.252 0.000 0.000) 2.252 5.805 ( -3.196 0.000 0.000) 3.196 5.835 ( 3.177 0.000 0.000) 3.177 5.861 ( 4.172 0.000 0.000) 4.172 5.884 ( 2.079 0.000 0.000) 2.079 6.020 ( -3.861 0.000 0.000) 3.861 6.054 ( -5.973 0.000 0.000) 5.973 6.150 ( -2.153 0.000 0.000) 2.153 6.151 ( -2.926 0.000 0.000) 2.926 6.262 ( -6.523 0.000 0.000) 6.523 6.414 ( -8.994 0.000 0.000) 8.994 6.567 ( 0.667 0.000 0.000) 0.667 6.680 ( -2.605 0.000 0.000) 2.605 6.695 ( 2.438 0.000 0.000) 2.438 6.780 ( -0.498 0.000 0.000) 0.498 6.806 ( 2.704 0.000 0.000) 2.704 6.910 ( 6.078 0.000 0.000) 6.078 6.938 ( 1.293 0.000 0.000) 1.293 7.197 ( -0.783 0.000 0.000) 0.783 7.299 ( 2.957 0.000 0.000) 2.957 7.387 ( 3.575 0.000 0.000) 3.575 7.481 ( -4.812 0.000 0.000) 4.812 7.765 ( -0.878 0.000 0.000) 0.878 7.778 ( 8.277 0.000 0.000) 8.277 7.882 ( -1.110 0.000 0.000) 1.110 7.917 ( -2.297 0.000 0.000) 2.297 7.929 ( 1.566 0.000 0.000) 1.566 8.023 ( 3.520 0.000 0.000) 3.520 8.063 ( -1.024 0.000 0.000) 1.024 8.068 ( 6.701 0.000 0.000) 6.701 8.212 ( 2.174 0.000 0.000) 2.174 8.263 ( 4.910 0.000 0.000) 4.910 8.415 ( 11.113 0.000 0.000) 11.113 8.726 ( 3.852 0.000 0.000) 3.852 8.846 ( -4.829 0.000 0.000) 4.829 9.076 ( -0.794 0.000 0.000) 0.794 9.210 ( -8.091 0.000 0.000) 8.091 9.285 ( -4.079 0.000 0.000) 4.079 9.368 ( -1.546 0.000 0.000) 1.546 9.391 ( -8.016 0.000 0.000) 8.016 9.440 ( -3.185 0.000 0.000) 3.185 9.551 ( -1.885 0.000 0.000) 1.885 9.716 ( -6.868 0.000 0.000) 6.868 11.556 ( 3.322 0.000 0.000) 3.322 11.656 ( 0.762 0.000 0.000) 0.762 11.788 ( -2.934 0.000 0.000) 2.934 11.822 ( 1.029 0.000 0.000) 1.029 11.843 ( 4.733 0.000 0.000) 4.733 11.884 ( 3.817 0.000 0.000) 3.817 11.921 ( 3.805 0.000 0.000) 3.805 11.950 ( -0.445 0.000 0.000) 0.445 11.993 ( 2.992 0.000 0.000) 2.992 12.211 ( -3.583 0.000 0.000) 3.583 12.265 ( 20.654 0.000 0.000) 20.654 12.456 ( 13.544 0.000 0.000) 13.544 12.594 ( 10.282 0.000 0.000) 10.282 12.874 ( -2.226 0.000 0.000) 2.226 12.946 ( -6.183 0.000 0.000) 6.183 13.727 ( 2.338 0.000 0.000) 2.338 13.881 ( 2.424 0.000 0.000) 2.424 13.918 ( -4.367 0.000 0.000) 4.367 13.930 ( 0.194 0.000 0.000) 0.194 14.324 ( -5.937 0.000 0.000) 5.937 14.412 ( -3.988 0.000 0.000) 3.988 14.473 ( -2.198 0.000 0.000) 2.198 14.485 ( -7.575 0.000 0.000) 7.575 14.571 ( -4.955 0.000 0.000) 4.955 ======================= Grid point 2 (3/30) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 17.248 0.000 0.000) 17.248 0.710 ( 17.410 0.000 0.000) 17.410 1.054 ( 9.399 0.000 0.000) 9.399 1.071 ( 6.664 0.000 0.000) 6.664 1.096 ( 5.787 0.000 0.000) 5.787 1.152 ( 7.631 0.000 0.000) 7.631 1.323 ( 25.958 0.000 0.000) 25.958 1.366 ( 18.537 0.000 0.000) 18.537 1.506 ( -2.537 0.000 0.000) 2.537 1.551 ( -6.654 0.000 0.000) 6.654 1.558 ( 5.162 0.000 0.000) 5.162 1.568 ( 9.158 0.000 0.000) 9.158 1.582 ( -1.252 0.000 0.000) 1.252 1.641 ( 9.371 0.000 0.000) 9.371 1.664 ( -0.206 0.000 0.000) 0.206 1.701 ( 2.382 0.000 0.000) 2.382 1.751 ( 0.323 0.000 0.000) 0.323 1.759 ( 6.769 0.000 0.000) 6.769 1.812 ( -3.295 0.000 0.000) 3.295 1.857 ( -3.111 0.000 0.000) 3.111 1.899 ( -11.873 0.000 0.000) 11.873 1.930 ( -1.996 0.000 0.000) 1.996 2.016 ( -0.290 0.000 0.000) 0.290 2.058 ( -2.689 0.000 0.000) 2.689 2.112 ( -3.324 0.000 0.000) 3.324 2.203 ( -2.713 0.000 0.000) 2.713 2.217 ( -6.630 0.000 0.000) 6.630 2.218 ( 1.034 0.000 0.000) 1.034 2.265 ( 1.741 0.000 0.000) 1.741 2.308 ( -1.252 0.000 0.000) 1.252 2.313 ( -0.711 0.000 0.000) 0.711 2.340 ( -0.703 0.000 0.000) 0.703 2.396 ( -2.544 0.000 0.000) 2.544 2.416 ( -4.144 0.000 0.000) 4.144 2.450 ( -2.938 0.000 0.000) 2.938 2.479 ( -1.470 0.000 0.000) 1.470 2.572 ( -4.668 0.000 0.000) 4.668 2.593 ( -3.161 0.000 0.000) 3.161 2.621 ( -0.500 0.000 0.000) 0.500 2.660 ( -5.999 0.000 0.000) 5.999 2.679 ( 2.840 0.000 0.000) 2.840 2.680 ( -3.215 0.000 0.000) 3.215 2.715 ( -4.249 0.000 0.000) 4.249 2.743 ( -1.780 0.000 0.000) 1.780 2.836 ( -10.656 0.000 0.000) 10.656 2.849 ( -5.482 0.000 0.000) 5.482 2.867 ( -3.931 0.000 0.000) 3.931 2.906 ( 3.562 0.000 0.000) 3.562 2.973 ( 1.612 0.000 0.000) 1.612 3.002 ( -0.612 0.000 0.000) 0.612 3.024 ( -2.208 0.000 0.000) 2.208 3.099 ( -6.588 0.000 0.000) 6.588 3.111 ( 1.371 0.000 0.000) 1.371 3.140 ( -1.242 0.000 0.000) 1.242 3.158 ( -1.502 0.000 0.000) 1.502 3.162 ( 4.547 0.000 0.000) 4.547 3.164 ( -2.525 0.000 0.000) 2.525 3.180 ( -1.148 0.000 0.000) 1.148 3.254 ( 1.524 0.000 0.000) 1.524 3.256 ( -2.485 0.000 0.000) 2.485 3.267 ( -0.252 0.000 0.000) 0.252 3.336 ( 5.637 0.000 0.000) 5.637 3.361 ( 6.658 0.000 0.000) 6.658 3.395 ( -3.285 0.000 0.000) 3.285 3.402 ( 1.067 0.000 0.000) 1.067 3.455 ( 3.855 0.000 0.000) 3.855 3.474 ( -2.506 0.000 0.000) 2.506 3.483 ( 5.241 0.000 0.000) 5.241 3.516 ( 1.745 0.000 0.000) 1.745 3.520 ( 3.436 0.000 0.000) 3.436 3.529 ( 1.534 0.000 0.000) 1.534 3.536 ( 1.195 0.000 0.000) 1.195 3.563 ( 1.919 0.000 0.000) 1.919 3.595 ( -2.685 0.000 0.000) 2.685 3.654 ( 7.299 0.000 0.000) 7.299 3.697 ( -2.996 0.000 0.000) 2.996 3.747 ( 4.843 0.000 0.000) 4.843 3.839 ( -10.066 0.000 0.000) 10.066 3.861 ( 0.467 0.000 0.000) 0.467 3.867 ( -5.152 0.000 0.000) 5.152 3.879 ( 0.007 0.000 0.000) 0.007 3.996 ( -6.913 0.000 0.000) 6.913 4.039 ( -0.210 0.000 0.000) 0.210 4.101 ( -3.405 0.000 0.000) 3.405 4.162 ( -3.778 0.000 0.000) 3.778 4.187 ( -0.317 0.000 0.000) 0.317 4.260 ( -0.762 0.000 0.000) 0.762 4.268 ( -0.389 0.000 0.000) 0.389 4.302 ( -5.853 0.000 0.000) 5.853 4.309 ( 0.866 0.000 0.000) 0.866 4.364 ( -1.165 0.000 0.000) 1.165 4.365 ( -0.719 0.000 0.000) 0.719 4.402 ( -2.678 0.000 0.000) 2.678 4.410 ( 5.650 0.000 0.000) 5.650 4.493 ( 0.285 0.000 0.000) 0.285 4.573 ( -0.005 0.000 0.000) 0.005 4.576 ( 0.917 0.000 0.000) 0.917 4.584 ( -5.061 0.000 0.000) 5.061 4.630 ( 3.866 0.000 0.000) 3.866 4.723 ( 4.735 0.000 0.000) 4.735 4.731 ( 3.297 0.000 0.000) 3.297 4.747 ( 6.677 0.000 0.000) 6.677 4.818 ( 3.140 0.000 0.000) 3.140 4.826 ( -0.672 0.000 0.000) 0.672 4.837 ( -1.984 0.000 0.000) 1.984 4.842 ( 0.561 0.000 0.000) 0.561 4.890 ( 0.616 0.000 0.000) 0.616 4.930 ( -1.221 0.000 0.000) 1.221 4.983 ( -8.293 0.000 0.000) 8.293 5.014 ( -0.715 0.000 0.000) 0.715 5.046 ( 1.135 0.000 0.000) 1.135 5.107 ( -0.236 0.000 0.000) 0.236 5.127 ( -4.048 0.000 0.000) 4.048 5.162 ( -1.205 0.000 0.000) 1.205 5.235 ( -0.401 0.000 0.000) 0.401 5.238 ( 0.373 0.000 0.000) 0.373 5.332 ( -3.574 0.000 0.000) 3.574 5.361 ( 3.831 0.000 0.000) 3.831 5.469 ( 3.632 0.000 0.000) 3.632 5.524 ( 0.130 0.000 0.000) 0.130 5.580 ( 3.898 0.000 0.000) 3.898 5.611 ( 5.487 0.000 0.000) 5.487 5.623 ( 1.415 0.000 0.000) 1.415 5.678 ( -2.741 0.000 0.000) 2.741 5.719 ( 2.674 0.000 0.000) 2.674 5.747 ( -1.004 0.000 0.000) 1.004 5.747 ( -1.826 0.000 0.000) 1.826 5.863 ( -0.884 0.000 0.000) 0.884 5.918 ( 0.390 0.000 0.000) 0.390 5.929 ( 2.179 0.000 0.000) 2.179 5.941 ( -4.019 0.000 0.000) 4.019 5.949 ( -4.179 0.000 0.000) 4.179 6.081 ( -3.918 0.000 0.000) 3.918 6.096 ( -2.526 0.000 0.000) 2.526 6.102 ( -9.398 0.000 0.000) 9.398 6.200 ( -10.507 0.000 0.000) 10.507 6.609 ( 4.153 0.000 0.000) 4.153 6.648 ( -0.394 0.000 0.000) 0.394 6.752 ( 3.239 0.000 0.000) 3.239 6.771 ( -0.388 0.000 0.000) 0.388 6.892 ( 4.776 0.000 0.000) 4.776 6.962 ( 0.941 0.000 0.000) 0.941 7.042 ( 7.005 0.000 0.000) 7.005 7.197 ( 0.677 0.000 0.000) 0.677 7.354 ( 2.601 0.000 0.000) 2.601 7.417 ( -2.012 0.000 0.000) 2.012 7.472 ( 5.027 0.000 0.000) 5.027 7.713 ( -3.041 0.000 0.000) 3.041 7.829 ( -4.829 0.000 0.000) 4.829 7.882 ( -0.429 0.000 0.000) 0.429 7.922 ( 6.353 0.000 0.000) 6.353 8.028 ( 6.920 0.000 0.000) 6.920 8.029 ( -2.239 0.000 0.000) 2.239 8.107 ( 4.066 0.000 0.000) 4.066 8.204 ( 6.726 0.000 0.000) 6.726 8.266 ( 3.230 0.000 0.000) 3.230 8.381 ( 6.592 0.000 0.000) 6.592 8.642 ( 11.366 0.000 0.000) 11.366 8.722 ( -7.602 0.000 0.000) 7.602 8.774 ( 1.089 0.000 0.000) 1.089 9.059 ( -6.830 0.000 0.000) 6.830 9.061 ( -0.950 0.000 0.000) 0.950 9.190 ( -5.588 0.000 0.000) 5.588 9.210 ( -10.117 0.000 0.000) 10.117 9.325 ( -2.638 0.000 0.000) 2.638 9.372 ( -3.474 0.000 0.000) 3.474 9.471 ( -5.914 0.000 0.000) 5.914 9.531 ( -11.045 0.000 0.000) 11.045 11.663 ( 7.096 0.000 0.000) 7.096 11.698 ( 3.550 0.000 0.000) 3.550 11.773 ( 0.682 0.000 0.000) 0.682 11.849 ( 2.353 0.000 0.000) 2.353 11.908 ( -1.613 0.000 0.000) 1.613 11.975 ( 8.752 0.000 0.000) 8.752 12.005 ( 5.925 0.000 0.000) 5.925 12.015 ( 5.357 0.000 0.000) 5.357 12.034 ( 0.769 0.000 0.000) 0.769 12.218 ( 4.299 0.000 0.000) 4.299 12.552 ( 4.560 0.000 0.000) 4.560 12.767 ( 17.955 0.000 0.000) 17.955 12.781 ( -10.736 0.000 0.000) 10.736 12.802 ( 11.342 0.000 0.000) 11.342 12.900 ( 8.359 0.000 0.000) 8.359 13.786 ( 3.762 0.000 0.000) 3.762 13.802 ( -7.742 0.000 0.000) 7.742 13.918 ( 0.481 0.000 0.000) 0.481 13.961 ( 3.946 0.000 0.000) 3.946 14.188 ( -7.751 0.000 0.000) 7.751 14.313 ( -5.879 0.000 0.000) 5.879 14.316 ( -9.548 0.000 0.000) 9.548 14.403 ( -5.006 0.000 0.000) 5.006 14.446 ( -7.658 0.000 0.000) 7.658 ======================= Grid point 3 (4/30) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 15.822 0.000 0.000) 15.822 1.016 ( 14.725 0.000 0.000) 14.725 1.169 ( 3.640 0.000 0.000) 3.640 1.209 ( 5.786 0.000 0.000) 5.786 1.230 ( 7.141 0.000 0.000) 7.141 1.283 ( 5.362 0.000 0.000) 5.362 1.404 ( -5.981 0.000 0.000) 5.981 1.412 ( -5.764 0.000 0.000) 5.764 1.504 ( -4.452 0.000 0.000) 4.452 1.537 ( -7.359 0.000 0.000) 7.359 1.588 ( -9.311 0.000 0.000) 9.311 1.619 ( -8.393 0.000 0.000) 8.393 1.687 ( -0.187 0.000 0.000) 0.187 1.698 ( 9.494 0.000 0.000) 9.494 1.701 ( 12.601 0.000 0.000) 12.601 1.725 ( 4.221 0.000 0.000) 4.221 1.744 ( 2.662 0.000 0.000) 2.662 1.757 ( 2.802 0.000 0.000) 2.802 1.774 ( -4.973 0.000 0.000) 4.973 1.883 ( 5.719 0.000 0.000) 5.719 1.899 ( 7.949 0.000 0.000) 7.949 1.996 ( 4.731 0.000 0.000) 4.731 2.008 ( -0.038 0.000 0.000) 0.038 2.030 ( -1.283 0.000 0.000) 1.283 2.109 ( -3.969 0.000 0.000) 3.969 2.134 ( 4.605 0.000 0.000) 4.605 2.170 ( -0.480 0.000 0.000) 0.480 2.236 ( -0.690 0.000 0.000) 0.690 2.254 ( -3.717 0.000 0.000) 3.717 2.299 ( -3.958 0.000 0.000) 3.958 2.319 ( 2.685 0.000 0.000) 2.685 2.320 ( 1.307 0.000 0.000) 1.307 2.356 ( -1.037 0.000 0.000) 1.037 2.431 ( -3.296 0.000 0.000) 3.296 2.441 ( 1.866 0.000 0.000) 1.866 2.443 ( 7.166 0.000 0.000) 7.166 2.532 ( 0.133 0.000 0.000) 0.133 2.535 ( -2.648 0.000 0.000) 2.648 2.542 ( -4.649 0.000 0.000) 4.649 2.585 ( -2.713 0.000 0.000) 2.713 2.620 ( -1.305 0.000 0.000) 1.305 2.655 ( -2.988 0.000 0.000) 2.988 2.667 ( -5.694 0.000 0.000) 5.694 2.690 ( -4.742 0.000 0.000) 4.742 2.722 ( -0.086 0.000 0.000) 0.086 2.762 ( -1.735 0.000 0.000) 1.735 2.813 ( -1.351 0.000 0.000) 1.351 2.926 ( -5.093 0.000 0.000) 5.093 2.975 ( -5.052 0.000 0.000) 5.052 2.986 ( 0.156 0.000 0.000) 0.156 2.996 ( 0.570 0.000 0.000) 0.570 3.018 ( -3.162 0.000 0.000) 3.162 3.066 ( -1.071 0.000 0.000) 1.071 3.074 ( -3.504 0.000 0.000) 3.504 3.086 ( -3.130 0.000 0.000) 3.130 3.109 ( -5.393 0.000 0.000) 5.393 3.114 ( -1.071 0.000 0.000) 1.071 3.218 ( -2.688 0.000 0.000) 2.688 3.269 ( 1.265 0.000 0.000) 1.265 3.270 ( 5.717 0.000 0.000) 5.717 3.283 ( -0.779 0.000 0.000) 0.779 3.384 ( -7.614 0.000 0.000) 7.614 3.393 ( 2.193 0.000 0.000) 2.193 3.424 ( -1.881 0.000 0.000) 1.881 3.428 ( 7.657 0.000 0.000) 7.657 3.479 ( 2.436 0.000 0.000) 2.436 3.486 ( 3.357 0.000 0.000) 3.357 3.533 ( -2.594 0.000 0.000) 2.594 3.544 ( 1.958 0.000 0.000) 1.958 3.552 ( 3.594 0.000 0.000) 3.594 3.577 ( 3.104 0.000 0.000) 3.104 3.598 ( 4.033 0.000 0.000) 4.033 3.623 ( 3.036 0.000 0.000) 3.036 3.656 ( 0.199 0.000 0.000) 0.199 3.676 ( 7.098 0.000 0.000) 7.098 3.688 ( -4.808 0.000 0.000) 4.808 3.752 ( -5.622 0.000 0.000) 5.622 3.760 ( 4.904 0.000 0.000) 4.904 3.807 ( -0.277 0.000 0.000) 0.277 3.845 ( 4.607 0.000 0.000) 4.607 3.955 ( 0.405 0.000 0.000) 0.405 3.966 ( -0.123 0.000 0.000) 0.123 3.994 ( -4.333 0.000 0.000) 4.333 4.006 ( -7.291 0.000 0.000) 7.291 4.101 ( 5.946 0.000 0.000) 5.946 4.158 ( -2.628 0.000 0.000) 2.628 4.171 ( -4.698 0.000 0.000) 4.698 4.251 ( -5.693 0.000 0.000) 5.693 4.284 ( -6.112 0.000 0.000) 6.112 4.289 ( 0.757 0.000 0.000) 0.757 4.315 ( 3.432 0.000 0.000) 3.432 4.342 ( -0.989 0.000 0.000) 0.989 4.376 ( 0.637 0.000 0.000) 0.637 4.428 ( -4.507 0.000 0.000) 4.507 4.466 ( -7.049 0.000 0.000) 7.049 4.528 ( 5.774 0.000 0.000) 5.774 4.632 ( 3.927 0.000 0.000) 3.927 4.632 ( 3.326 0.000 0.000) 3.326 4.683 ( -13.122 0.000 0.000) 13.122 4.726 ( -4.545 0.000 0.000) 4.545 4.765 ( 8.313 0.000 0.000) 8.313 4.771 ( 0.357 0.000 0.000) 0.357 4.837 ( 3.107 0.000 0.000) 3.107 4.846 ( 2.318 0.000 0.000) 2.318 4.852 ( 2.550 0.000 0.000) 2.550 4.881 ( 3.782 0.000 0.000) 3.782 4.899 ( -0.775 0.000 0.000) 0.775 4.933 ( 4.881 0.000 0.000) 4.881 4.980 ( 3.152 0.000 0.000) 3.152 4.990 ( -1.890 0.000 0.000) 1.890 5.051 ( -0.827 0.000 0.000) 0.827 5.074 ( -1.510 0.000 0.000) 1.510 5.133 ( -1.801 0.000 0.000) 1.801 5.143 ( 2.549 0.000 0.000) 2.549 5.172 ( -4.879 0.000 0.000) 4.879 5.182 ( -4.547 0.000 0.000) 4.547 5.358 ( 4.796 0.000 0.000) 4.796 5.482 ( 7.436 0.000 0.000) 7.436 5.509 ( -1.812 0.000 0.000) 1.812 5.512 ( 0.668 0.000 0.000) 0.668 5.600 ( -0.898 0.000 0.000) 0.898 5.600 ( -4.546 0.000 0.000) 4.546 5.635 ( 0.216 0.000 0.000) 0.216 5.694 ( -4.471 0.000 0.000) 4.471 5.713 ( 4.418 0.000 0.000) 4.418 5.745 ( 0.841 0.000 0.000) 0.841 5.763 ( 1.368 0.000 0.000) 1.368 5.816 ( -3.564 0.000 0.000) 3.564 5.868 ( -3.589 0.000 0.000) 3.589 5.868 ( -2.875 0.000 0.000) 2.875 5.903 ( -1.066 0.000 0.000) 1.066 5.911 ( -5.881 0.000 0.000) 5.881 5.989 ( 0.141 0.000 0.000) 0.141 6.025 ( -1.764 0.000 0.000) 1.764 6.078 ( 0.200 0.000 0.000) 0.200 6.094 ( -1.460 0.000 0.000) 1.460 6.669 ( 2.488 0.000 0.000) 2.488 6.720 ( 6.826 0.000 0.000) 6.826 6.762 ( -0.896 0.000 0.000) 0.896 6.812 ( 2.698 0.000 0.000) 2.698 6.949 ( 1.115 0.000 0.000) 1.115 6.967 ( -0.443 0.000 0.000) 0.443 7.148 ( 3.874 0.000 0.000) 3.874 7.207 ( 0.027 0.000 0.000) 0.027 7.393 ( 1.344 0.000 0.000) 1.344 7.399 ( -0.062 0.000 0.000) 0.062 7.575 ( 5.978 0.000 0.000) 5.978 7.674 ( -0.820 0.000 0.000) 0.820 7.739 ( -4.284 0.000 0.000) 4.284 7.840 ( -4.854 0.000 0.000) 4.854 7.995 ( -0.962 0.000 0.000) 0.962 8.001 ( 1.626 0.000 0.000) 1.626 8.146 ( 4.818 0.000 0.000) 4.818 8.170 ( 2.651 0.000 0.000) 2.651 8.305 ( 3.765 0.000 0.000) 3.765 8.323 ( 2.506 0.000 0.000) 2.506 8.484 ( 3.811 0.000 0.000) 3.811 8.592 ( -5.188 0.000 0.000) 5.188 8.788 ( 1.064 0.000 0.000) 1.064 8.802 ( 4.668 0.000 0.000) 4.668 8.974 ( -1.829 0.000 0.000) 1.829 9.031 ( -2.168 0.000 0.000) 2.168 9.047 ( -6.062 0.000 0.000) 6.062 9.081 ( -5.645 0.000 0.000) 5.645 9.285 ( -1.179 0.000 0.000) 1.179 9.322 ( -1.695 0.000 0.000) 1.695 9.358 ( -5.216 0.000 0.000) 5.216 9.359 ( -5.992 0.000 0.000) 5.992 11.771 ( 3.542 0.000 0.000) 3.542 11.777 ( 4.115 0.000 0.000) 4.115 11.798 ( 1.702 0.000 0.000) 1.702 11.867 ( -2.409 0.000 0.000) 2.409 11.946 ( 7.949 0.000 0.000) 7.949 12.035 ( 0.167 0.000 0.000) 0.167 12.089 ( 1.525 0.000 0.000) 1.525 12.101 ( 3.116 0.000 0.000) 3.116 12.154 ( 9.567 0.000 0.000) 9.567 12.330 ( 6.151 0.000 0.000) 6.151 12.508 ( -4.841 0.000 0.000) 4.841 12.557 ( -12.332 0.000 0.000) 12.332 13.009 ( 9.809 0.000 0.000) 9.809 13.095 ( 7.902 0.000 0.000) 7.902 13.103 ( 16.854 0.000 0.000) 16.854 13.627 ( -10.655 0.000 0.000) 10.655 13.868 ( 4.908 0.000 0.000) 4.908 13.925 ( 0.762 0.000 0.000) 0.762 14.050 ( -6.284 0.000 0.000) 6.284 14.054 ( 5.546 0.000 0.000) 5.546 14.136 ( -9.141 0.000 0.000) 9.141 14.217 ( -3.357 0.000 0.000) 3.357 14.292 ( -6.476 0.000 0.000) 6.476 14.304 ( -6.744 0.000 0.000) 6.744 ======================= Grid point 4 (5/30) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -1.598 0.000 0.000) 1.598 1.212 ( 1.598 0.000 0.000) 1.598 1.259 ( -10.306 0.000 0.000) 10.306 1.259 ( 10.306 0.000 0.000) 10.306 1.279 ( -7.309 0.000 0.000) 7.309 1.279 ( 7.309 0.000 0.000) 7.309 1.321 ( -2.133 0.000 0.000) 2.133 1.321 ( 2.133 0.000 0.000) 2.133 1.452 ( -0.564 0.000 0.000) 0.564 1.452 ( 0.564 0.000 0.000) 0.564 1.486 ( -1.234 0.000 0.000) 1.234 1.486 ( 1.234 0.000 0.000) 1.234 1.698 ( -2.056 0.000 0.000) 2.056 1.698 ( 2.056 0.000 0.000) 2.056 1.767 ( -1.159 0.000 0.000) 1.159 1.767 ( 1.159 0.000 0.000) 1.159 1.794 ( -1.182 0.000 0.000) 1.182 1.794 ( 1.182 0.000 0.000) 1.182 1.878 ( -5.523 0.000 0.000) 5.523 1.878 ( 5.523 0.000 0.000) 5.523 2.005 ( -1.169 0.000 0.000) 1.169 2.005 ( 1.169 0.000 0.000) 1.169 2.032 ( -0.670 0.000 0.000) 0.670 2.032 ( 0.670 0.000 0.000) 0.670 2.146 ( -7.281 0.000 0.000) 7.281 2.146 ( 7.281 0.000 0.000) 7.281 2.188 ( -1.558 0.000 0.000) 1.558 2.188 ( 1.558 0.000 0.000) 1.558 2.220 ( -3.066 0.000 0.000) 3.066 2.220 ( 3.066 0.000 0.000) 3.066 2.343 ( -0.366 0.000 0.000) 0.366 2.343 ( 0.366 0.000 0.000) 0.366 2.377 ( -1.375 0.000 0.000) 1.375 2.377 ( 1.375 0.000 0.000) 1.375 2.486 ( -1.794 0.000 0.000) 1.794 2.486 ( 1.794 0.000 0.000) 1.794 2.521 ( -1.644 0.000 0.000) 1.644 2.521 ( 1.644 0.000 0.000) 1.644 2.546 ( -1.070 0.000 0.000) 1.070 2.546 ( 1.070 0.000 0.000) 1.070 2.635 ( -1.218 0.000 0.000) 1.218 2.635 ( 1.218 0.000 0.000) 1.218 2.650 ( -4.773 0.000 0.000) 4.773 2.650 ( 4.773 0.000 0.000) 4.773 2.725 ( -12.610 0.000 0.000) 12.610 2.725 ( 12.610 0.000 0.000) 12.610 2.775 ( -2.447 0.000 0.000) 2.447 2.775 ( 2.447 0.000 0.000) 2.447 2.943 ( -2.983 0.000 0.000) 2.983 2.943 ( 2.983 0.000 0.000) 2.983 3.000 ( -0.089 0.000 0.000) 0.089 3.000 ( 0.089 0.000 0.000) 0.089 3.050 ( -0.014 0.000 0.000) 0.014 3.050 ( 0.014 0.000 0.000) 0.014 3.076 ( -1.719 0.000 0.000) 1.719 3.076 ( 1.719 0.000 0.000) 1.719 3.135 ( -5.191 0.000 0.000) 5.191 3.135 ( 5.191 0.000 0.000) 5.191 3.289 ( -2.093 0.000 0.000) 2.093 3.289 ( 2.093 0.000 0.000) 2.093 3.306 ( -1.827 0.000 0.000) 1.827 3.306 ( 1.827 0.000 0.000) 1.827 3.430 ( -0.780 0.000 0.000) 0.780 3.430 ( 0.780 0.000 0.000) 0.780 3.484 ( -2.954 0.000 0.000) 2.954 3.484 ( 2.954 0.000 0.000) 2.954 3.551 ( -2.769 0.000 0.000) 2.769 3.551 ( 2.769 0.000 0.000) 2.769 3.555 ( -0.987 0.000 0.000) 0.987 3.555 ( 0.987 0.000 0.000) 0.987 3.598 ( -0.813 0.000 0.000) 0.813 3.598 ( 0.813 0.000 0.000) 0.813 3.628 ( -1.253 0.000 0.000) 1.253 3.628 ( 1.253 0.000 0.000) 1.253 3.721 ( -3.523 0.000 0.000) 3.523 3.721 ( 3.523 0.000 0.000) 3.523 3.804 ( -7.572 0.000 0.000) 7.572 3.804 ( 7.572 0.000 0.000) 7.572 3.868 ( -5.247 0.000 0.000) 5.247 3.868 ( 5.247 0.000 0.000) 5.247 3.922 ( -0.398 0.000 0.000) 0.398 3.922 ( 0.398 0.000 0.000) 0.398 3.930 ( -3.057 0.000 0.000) 3.057 3.930 ( 3.057 0.000 0.000) 3.057 4.123 ( -0.087 0.000 0.000) 0.087 4.123 ( 0.087 0.000 0.000) 0.087 4.175 ( -0.658 0.000 0.000) 0.658 4.175 ( 0.658 0.000 0.000) 0.658 4.317 ( -2.774 0.000 0.000) 2.774 4.317 ( 2.774 0.000 0.000) 2.774 4.327 ( -2.676 0.000 0.000) 2.676 4.327 ( 2.676 0.000 0.000) 2.676 4.391 ( -0.389 0.000 0.000) 0.389 4.391 ( 0.389 0.000 0.000) 0.389 4.415 ( -10.563 0.000 0.000) 10.563 4.415 ( 10.563 0.000 0.000) 10.563 4.630 ( -5.220 0.000 0.000) 5.220 4.630 ( 5.220 0.000 0.000) 5.220 4.670 ( -0.210 0.000 0.000) 0.210 4.670 ( 0.210 0.000 0.000) 0.210 4.807 ( -2.508 0.000 0.000) 2.508 4.807 ( 2.508 0.000 0.000) 2.508 4.876 ( -0.334 0.000 0.000) 0.334 4.876 ( 0.334 0.000 0.000) 0.334 4.941 ( -2.990 0.000 0.000) 2.990 4.941 ( 2.990 0.000 0.000) 2.990 4.947 ( -6.875 0.000 0.000) 6.875 4.947 ( 6.875 0.000 0.000) 6.875 4.957 ( -5.680 0.000 0.000) 5.680 4.957 ( 5.680 0.000 0.000) 5.680 5.040 ( -4.327 0.000 0.000) 4.327 5.040 ( 4.328 0.000 0.000) 4.328 5.110 ( -0.713 0.000 0.000) 0.713 5.110 ( 0.713 0.000 0.000) 0.713 5.164 ( -0.849 0.000 0.000) 0.849 5.164 ( 0.849 0.000 0.000) 0.849 5.451 ( -4.313 0.000 0.000) 4.313 5.451 ( 4.313 0.000 0.000) 4.313 5.530 ( -2.056 0.000 0.000) 2.056 5.530 ( 2.056 0.000 0.000) 2.056 5.603 ( -4.202 0.000 0.000) 4.202 5.603 ( 4.202 0.000 0.000) 4.202 5.608 ( -2.955 0.000 0.000) 2.955 5.608 ( 2.955 0.000 0.000) 2.955 5.759 ( -0.045 0.000 0.000) 0.045 5.759 ( 0.045 0.000 0.000) 0.045 5.770 ( -0.789 0.000 0.000) 0.789 5.770 ( 0.789 0.000 0.000) 0.789 5.833 ( -1.127 0.000 0.000) 1.127 5.833 ( 1.127 0.000 0.000) 1.127 5.875 ( -1.927 0.000 0.000) 1.927 5.875 ( 1.927 0.000 0.000) 1.927 6.005 ( -0.800 0.000 0.000) 0.800 6.005 ( 0.800 0.000 0.000) 0.800 6.084 ( -0.276 0.000 0.000) 0.276 6.084 ( 0.276 0.000 0.000) 0.276 6.726 ( -2.864 0.000 0.000) 2.864 6.726 ( 2.864 0.000 0.000) 2.864 6.822 ( -2.653 0.000 0.000) 2.653 6.822 ( 2.653 0.000 0.000) 2.653 6.954 ( -0.385 0.000 0.000) 0.385 6.954 ( 0.385 0.000 0.000) 0.385 7.194 ( -1.349 0.000 0.000) 1.349 7.194 ( 1.349 0.000 0.000) 1.349 7.403 ( -0.130 0.000 0.000) 0.130 7.403 ( 0.130 0.000 0.000) 0.130 7.675 ( -2.587 0.000 0.000) 2.587 7.675 ( 2.587 0.000 0.000) 2.587 7.714 ( -6.900 0.000 0.000) 6.900 7.714 ( 6.900 0.000 0.000) 6.900 7.998 ( -0.960 0.000 0.000) 0.960 7.998 ( 0.960 0.000 0.000) 0.960 8.196 ( -0.402 0.000 0.000) 0.402 8.196 ( 0.402 0.000 0.000) 0.402 8.346 ( -0.427 0.000 0.000) 0.427 8.346 ( 0.427 0.000 0.000) 0.427 8.531 ( -1.924 0.000 0.000) 1.924 8.531 ( 1.924 0.000 0.000) 1.924 8.820 ( -1.658 0.000 0.000) 1.658 8.820 ( 1.658 0.000 0.000) 1.658 8.991 ( -3.334 0.000 0.000) 3.334 8.991 ( 3.334 0.000 0.000) 3.334 8.997 ( -0.509 0.000 0.000) 0.509 8.997 ( 0.509 0.000 0.000) 0.509 9.290 ( -1.855 0.000 0.000) 1.855 9.290 ( 1.855 0.000 0.000) 1.855 9.307 ( -0.314 0.000 0.000) 0.314 9.307 ( 0.314 0.000 0.000) 0.314 11.820 ( -0.061 0.000 0.000) 0.061 11.820 ( 0.061 0.000 0.000) 0.061 11.821 ( -2.335 0.000 0.000) 2.335 11.821 ( 2.335 0.000 0.000) 2.335 12.066 ( -2.804 0.000 0.000) 2.804 12.066 ( 2.804 0.000 0.000) 2.804 12.088 ( -4.975 0.000 0.000) 4.975 12.088 ( 4.975 0.000 0.000) 4.975 12.337 ( -10.344 0.000 0.000) 10.344 12.337 ( 10.344 0.000 0.000) 10.344 12.426 ( -4.108 0.000 0.000) 4.108 12.426 ( 4.108 0.000 0.000) 4.108 13.141 ( -3.063 0.000 0.000) 3.063 13.141 ( 3.063 0.000 0.000) 3.063 13.395 ( -13.834 0.000 0.000) 13.834 13.395 ( 13.834 0.000 0.000) 13.834 13.960 ( -3.179 0.000 0.000) 3.179 13.960 ( 3.179 0.000 0.000) 3.179 13.980 ( -7.090 0.000 0.000) 7.090 13.980 ( 7.090 0.000 0.000) 7.090 14.168 ( -6.393 0.000 0.000) 6.393 14.168 ( 6.393 0.000 0.000) 6.393 14.209 ( -2.655 0.000 0.000) 2.655 14.209 ( 2.655 0.000 0.000) 2.655 ======================= Grid point 9 (6/30) ======================= q-point: ( 0.00 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 14.682 0.000) 14.682 0.420 ( 0.000 19.734 0.000) 19.734 0.659 ( 0.000 29.230 0.000) 29.230 0.801 ( 0.000 -0.788 0.000) 0.788 0.946 ( 0.000 2.036 0.000) 2.036 0.962 ( 0.000 11.425 0.000) 11.425 0.992 ( 0.000 5.605 0.000) 5.605 1.148 ( 0.000 6.601 0.000) 6.601 1.233 ( 0.000 -14.196 0.000) 14.196 1.376 ( 0.000 3.828 0.000) 3.828 1.402 ( 0.000 -11.162 0.000) 11.162 1.423 ( 0.000 -10.188 0.000) 10.188 1.431 ( 0.000 7.854 0.000) 7.854 1.546 ( 0.000 -6.878 0.000) 6.878 1.554 ( 0.000 -9.081 0.000) 9.081 1.556 ( 0.000 4.070 0.000) 4.070 1.696 ( 0.000 -7.873 0.000) 7.873 1.727 ( 0.000 -4.126 0.000) 4.126 1.728 ( 0.000 0.859 0.000) 0.859 1.752 ( 0.000 -6.985 0.000) 6.985 1.994 ( 0.000 -1.872 0.000) 1.872 2.070 ( 0.000 -1.890 0.000) 1.890 2.138 ( 0.000 -1.417 0.000) 1.417 2.154 ( 0.000 1.862 0.000) 1.862 2.258 ( 0.000 -0.024 0.000) 0.024 2.303 ( 0.000 4.821 0.000) 4.821 2.327 ( 0.000 3.624 0.000) 3.624 2.344 ( 0.000 2.803 0.000) 2.803 2.356 ( 0.000 9.608 0.000) 9.608 2.370 ( 0.000 0.230 0.000) 0.230 2.432 ( 0.000 1.281 0.000) 1.281 2.469 ( 0.000 4.591 0.000) 4.591 2.519 ( 0.000 -7.025 0.000) 7.025 2.520 ( 0.000 4.923 0.000) 4.923 2.536 ( 0.000 -0.648 0.000) 0.648 2.551 ( 0.000 -5.224 0.000) 5.224 2.603 ( 0.000 -2.664 0.000) 2.664 2.662 ( 0.000 0.392 0.000) 0.392 2.663 ( 0.000 -1.830 0.000) 1.830 2.676 ( 0.000 1.262 0.000) 1.262 2.683 ( 0.000 -0.654 0.000) 0.654 2.722 ( 0.000 -0.576 0.000) 0.576 2.732 ( 0.000 -6.283 0.000) 6.283 2.791 ( 0.000 1.666 0.000) 1.666 2.829 ( 0.000 -2.476 0.000) 2.476 2.844 ( 0.000 1.219 0.000) 1.219 2.891 ( 0.000 -7.613 0.000) 7.613 2.970 ( 0.000 2.867 0.000) 2.867 2.975 ( 0.000 -2.014 0.000) 2.014 3.008 ( 0.000 -1.518 0.000) 1.518 3.056 ( 0.000 -0.787 0.000) 0.787 3.063 ( 0.000 -4.327 0.000) 4.327 3.093 ( 0.000 0.538 0.000) 0.538 3.103 ( 0.000 1.046 0.000) 1.046 3.153 ( 0.000 -4.880 0.000) 4.880 3.161 ( 0.000 4.610 0.000) 4.610 3.176 ( 0.000 -2.715 0.000) 2.715 3.185 ( 0.000 -0.628 0.000) 0.628 3.187 ( 0.000 4.929 0.000) 4.929 3.253 ( 0.000 -1.606 0.000) 1.606 3.271 ( 0.000 -3.843 0.000) 3.843 3.307 ( 0.000 -1.945 0.000) 1.945 3.329 ( 0.000 0.883 0.000) 0.883 3.351 ( 0.000 -3.796 0.000) 3.796 3.366 ( 0.000 4.759 0.000) 4.759 3.415 ( 0.000 -2.434 0.000) 2.434 3.426 ( 0.000 4.642 0.000) 4.642 3.456 ( 0.000 3.020 0.000) 3.020 3.506 ( 0.000 -5.456 0.000) 5.456 3.567 ( 0.000 6.655 0.000) 6.655 3.615 ( 0.000 8.978 0.000) 8.978 3.663 ( 0.000 1.211 0.000) 1.211 3.686 ( 0.000 4.743 0.000) 4.743 3.687 ( 0.000 6.337 0.000) 6.337 3.695 ( 0.000 -3.569 0.000) 3.569 3.736 ( 0.000 3.999 0.000) 3.999 3.752 ( 0.000 8.357 0.000) 8.357 3.810 ( 0.000 0.014 0.000) 0.014 3.905 ( 0.000 7.129 0.000) 7.129 3.909 ( 0.000 6.620 0.000) 6.620 3.965 ( 0.000 3.128 0.000) 3.128 4.008 ( 0.000 1.312 0.000) 1.312 4.116 ( 0.000 -6.464 0.000) 6.464 4.135 ( 0.000 2.130 0.000) 2.130 4.197 ( 0.000 -1.647 0.000) 1.647 4.232 ( 0.000 2.709 0.000) 2.709 4.277 ( 0.000 -0.135 0.000) 0.135 4.330 ( 0.000 -4.182 0.000) 4.182 4.339 ( 0.000 0.852 0.000) 0.852 4.339 ( 0.000 2.982 0.000) 2.982 4.374 ( 0.000 -3.121 0.000) 3.121 4.382 ( 0.000 -1.358 0.000) 1.358 4.383 ( 0.000 -1.641 0.000) 1.641 4.398 ( 0.000 -15.368 0.000) 15.368 4.445 ( 0.000 -3.104 0.000) 3.104 4.452 ( 0.000 2.217 0.000) 2.217 4.473 ( 0.000 -13.923 0.000) 13.923 4.535 ( 0.000 1.714 0.000) 1.714 4.590 ( 0.000 -9.845 0.000) 9.845 4.592 ( 0.000 0.483 0.000) 0.483 4.605 ( 0.000 -4.035 0.000) 4.035 4.672 ( 0.000 1.683 0.000) 1.683 4.748 ( 0.000 -3.058 0.000) 3.058 4.763 ( 0.000 -6.181 0.000) 6.181 4.793 ( 0.000 -6.396 0.000) 6.396 4.796 ( 0.000 4.505 0.000) 4.505 4.881 ( 0.000 -0.037 0.000) 0.037 4.927 ( 0.000 -1.719 0.000) 1.719 5.005 ( 0.000 5.757 0.000) 5.757 5.044 ( 0.000 1.145 0.000) 1.145 5.106 ( 0.000 -1.045 0.000) 1.045 5.179 ( 0.000 -1.019 0.000) 1.019 5.211 ( 0.000 -0.932 0.000) 0.932 5.212 ( 0.000 -1.858 0.000) 1.858 5.241 ( 0.000 -4.247 0.000) 4.247 5.248 ( 0.000 -2.084 0.000) 2.084 5.427 ( 0.000 7.256 0.000) 7.256 5.459 ( 0.000 0.535 0.000) 0.535 5.471 ( 0.000 1.314 0.000) 1.314 5.542 ( 0.000 2.461 0.000) 2.461 5.550 ( 0.000 2.628 0.000) 2.628 5.613 ( 0.000 9.307 0.000) 9.307 5.637 ( 0.000 -3.486 0.000) 3.486 5.647 ( 0.000 5.453 0.000) 5.453 5.749 ( 0.000 -1.410 0.000) 1.410 5.802 ( 0.000 -0.042 0.000) 0.042 5.804 ( 0.000 2.330 0.000) 2.330 5.848 ( 0.000 0.689 0.000) 0.689 5.905 ( 0.000 5.516 0.000) 5.516 6.055 ( 0.000 0.153 0.000) 0.153 6.104 ( 0.000 -1.397 0.000) 1.397 6.122 ( 0.000 -2.770 0.000) 2.770 6.168 ( 0.000 -2.041 0.000) 2.041 6.214 ( 0.000 5.610 0.000) 5.610 6.242 ( 0.000 -5.265 0.000) 5.265 6.446 ( 0.000 -3.154 0.000) 3.154 6.585 ( 0.000 2.063 0.000) 2.063 6.619 ( 0.000 -0.406 0.000) 0.406 6.659 ( 0.000 -2.432 0.000) 2.432 6.736 ( 0.000 1.822 0.000) 1.822 6.771 ( 0.000 -5.362 0.000) 5.362 6.798 ( 0.000 0.197 0.000) 0.197 6.803 ( 0.000 0.647 0.000) 0.647 6.879 ( 0.000 -3.764 0.000) 3.764 7.258 ( 0.000 0.281 0.000) 0.281 7.330 ( 0.000 -1.744 0.000) 1.744 7.593 ( 0.000 3.946 0.000) 3.946 7.639 ( 0.000 5.529 0.000) 5.529 7.827 ( 0.000 5.736 0.000) 5.736 7.843 ( 0.000 -4.681 0.000) 4.681 7.884 ( 0.000 -2.887 0.000) 2.887 7.998 ( 0.000 4.403 0.000) 4.403 8.048 ( 0.000 -2.438 0.000) 2.438 8.062 ( 0.000 4.841 0.000) 4.841 8.178 ( 0.000 -3.294 0.000) 3.294 8.254 ( 0.000 -3.091 0.000) 3.091 8.283 ( 0.000 3.527 0.000) 3.527 8.316 ( 0.000 9.724 0.000) 9.724 8.470 ( 0.000 -2.854 0.000) 2.854 8.643 ( 0.000 -3.267 0.000) 3.267 9.117 ( 0.000 2.755 0.000) 2.755 9.255 ( 0.000 -3.050 0.000) 3.050 9.343 ( 0.000 1.473 0.000) 1.473 9.384 ( 0.000 0.091 0.000) 0.091 9.538 ( 0.000 3.433 0.000) 3.433 9.549 ( 0.000 6.608 0.000) 6.608 9.566 ( 0.000 0.775 0.000) 0.775 10.034 ( 0.000 -12.061 0.000) 12.061 11.596 ( 0.000 5.265 0.000) 5.265 11.688 ( 0.000 2.243 0.000) 2.243 11.725 ( 0.000 -2.120 0.000) 2.120 11.768 ( 0.000 -2.587 0.000) 2.587 11.843 ( 0.000 -3.765 0.000) 3.765 11.863 ( 0.000 -3.799 0.000) 3.799 11.914 ( 0.000 4.861 0.000) 4.861 11.942 ( 0.000 5.204 0.000) 5.204 11.971 ( 0.000 0.459 0.000) 0.459 11.982 ( 0.000 3.160 0.000) 3.160 12.198 ( 0.000 16.182 0.000) 16.182 12.249 ( 0.000 -5.787 0.000) 5.787 12.347 ( 0.000 -8.696 0.000) 8.696 12.801 ( 0.000 -8.801 0.000) 8.801 13.189 ( 0.000 9.547 0.000) 9.547 13.728 ( 0.000 2.091 0.000) 2.091 13.748 ( 0.000 -13.673 0.000) 13.673 13.836 ( 0.000 -1.845 0.000) 1.845 14.008 ( 0.000 6.727 0.000) 6.727 14.369 ( 0.000 -6.995 0.000) 6.995 14.463 ( 0.000 4.207 0.000) 4.207 14.492 ( 0.000 1.263 0.000) 1.263 14.578 ( 0.000 0.943 0.000) 0.943 14.654 ( 0.000 -2.087 0.000) 2.087 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.12 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 12.659 10.378 0.000) 16.369 0.567 ( 12.158 14.132 0.000) 18.642 0.883 ( 7.686 -3.057 0.000) 8.272 0.909 ( 20.143 16.083 0.000) 25.776 0.976 ( 4.791 1.887 0.000) 5.149 1.046 ( 6.459 6.431 0.000) 9.115 1.134 ( 14.156 9.536 0.000) 17.068 1.150 ( 1.886 8.530 0.000) 8.736 1.279 ( 4.354 -13.083 0.000) 13.788 1.421 ( 1.986 -8.719 0.000) 8.942 1.438 ( 3.901 0.806 0.000) 3.984 1.442 ( 3.602 -10.742 0.000) 11.329 1.507 ( 6.911 3.507 0.000) 7.750 1.536 ( 0.687 -4.660 0.000) 4.711 1.578 ( 2.435 4.504 0.000) 5.120 1.624 ( 6.732 -5.747 0.000) 8.852 1.717 ( -0.152 -4.152 0.000) 4.154 1.736 ( 2.948 -4.358 0.000) 5.261 1.758 ( 1.795 -0.598 0.000) 1.892 1.771 ( 1.616 -5.791 0.000) 6.012 1.979 ( -1.332 -1.178 0.000) 1.778 2.056 ( -1.480 -0.429 0.000) 1.541 2.087 ( -3.744 1.179 0.000) 3.925 2.162 ( -0.672 0.994 0.000) 1.200 2.258 ( -0.144 0.240 0.000) 0.280 2.270 ( -4.661 5.333 0.000) 7.083 2.302 ( -3.094 3.886 0.000) 4.967 2.321 ( -1.218 4.069 0.000) 4.248 2.326 ( -4.324 -0.471 0.000) 4.349 2.368 ( 0.520 6.209 0.000) 6.231 2.383 ( -2.929 2.581 0.000) 3.904 2.408 ( -4.795 3.350 0.000) 5.850 2.468 ( -4.177 -4.115 0.000) 5.864 2.489 ( -5.055 -1.956 0.000) 5.420 2.525 ( -5.519 2.074 0.000) 5.896 2.533 ( -4.486 -0.343 0.000) 4.499 2.544 ( -0.704 -1.868 0.000) 1.996 2.547 ( -0.910 -3.772 0.000) 3.880 2.669 ( -3.227 -2.400 0.000) 4.022 2.684 ( -1.011 -2.700 0.000) 2.883 2.707 ( 0.441 0.685 0.000) 0.814 2.723 ( 2.151 -1.392 0.000) 2.562 2.786 ( 0.977 -0.984 0.000) 1.387 2.797 ( 1.761 -2.465 0.000) 3.030 2.801 ( -3.540 2.971 0.000) 4.621 2.841 ( 1.242 -2.458 0.000) 2.754 2.871 ( -1.368 -4.236 0.000) 4.452 2.961 ( -7.797 5.611 0.000) 9.606 2.978 ( 0.088 -2.075 0.000) 2.077 3.027 ( 3.916 -2.566 0.000) 4.682 3.061 ( 1.168 -1.961 0.000) 2.283 3.096 ( 3.535 -0.951 0.000) 3.660 3.097 ( -6.288 -0.978 0.000) 6.364 3.113 ( -0.378 -1.234 0.000) 1.291 3.116 ( 3.457 -0.608 0.000) 3.510 3.150 ( 0.030 -6.407 0.000) 6.407 3.155 ( 0.808 1.026 0.000) 1.305 3.181 ( 1.803 2.246 0.000) 2.881 3.190 ( -2.584 2.097 0.000) 3.328 3.252 ( -2.927 -3.602 0.000) 4.642 3.291 ( 4.467 -0.035 0.000) 4.467 3.294 ( -0.999 -0.146 0.000) 1.010 3.295 ( -1.617 -0.970 0.000) 1.886 3.342 ( 0.487 -1.763 0.000) 1.829 3.356 ( -0.777 0.277 0.000) 0.825 3.397 ( 0.454 2.277 0.000) 2.322 3.461 ( 1.979 3.055 0.000) 3.640 3.484 ( 0.199 -1.392 0.000) 1.407 3.547 ( 4.441 3.997 0.000) 5.975 3.558 ( -1.450 4.356 0.000) 4.591 3.596 ( -3.689 3.715 0.000) 5.236 3.597 ( -1.739 5.018 0.000) 5.311 3.644 ( -1.658 2.043 0.000) 2.632 3.704 ( -0.191 5.580 0.000) 5.584 3.712 ( -1.227 6.857 0.000) 6.966 3.735 ( -0.631 1.615 0.000) 1.734 3.752 ( -0.343 6.283 0.000) 6.292 3.849 ( 2.069 -4.515 0.000) 4.966 3.860 ( 0.471 3.923 0.000) 3.951 3.920 ( 1.875 4.348 0.000) 4.735 3.947 ( -6.140 -0.832 0.000) 6.196 3.998 ( -3.384 -3.001 0.000) 4.523 4.132 ( -1.398 0.567 0.000) 1.509 4.136 ( -2.018 -6.796 0.000) 7.089 4.169 ( 1.792 -0.442 0.000) 1.846 4.185 ( -5.549 -1.686 0.000) 5.800 4.231 ( -4.703 -1.673 0.000) 4.992 4.232 ( -5.517 -0.869 0.000) 5.585 4.306 ( -2.073 -1.117 0.000) 2.355 4.364 ( -2.562 -9.076 0.000) 9.431 4.372 ( 1.253 1.061 0.000) 1.642 4.378 ( 2.217 0.695 0.000) 2.323 4.389 ( 3.280 -2.704 0.000) 4.251 4.392 ( -1.462 0.942 0.000) 1.740 4.431 ( -1.452 -9.327 0.000) 9.440 4.489 ( 2.439 1.803 0.000) 3.033 4.505 ( -1.605 0.875 0.000) 1.828 4.527 ( 5.469 -5.029 0.000) 7.430 4.591 ( -0.991 -2.447 0.000) 2.640 4.600 ( 3.703 -6.856 0.000) 7.792 4.680 ( 4.504 -4.359 0.000) 6.268 4.716 ( -2.601 -3.726 0.000) 4.544 4.725 ( 5.840 3.276 0.000) 6.696 4.779 ( -0.955 -6.594 0.000) 6.663 4.789 ( 2.857 -2.157 0.000) 3.580 4.860 ( 2.361 1.731 0.000) 2.927 4.881 ( 0.192 2.040 0.000) 2.049 4.929 ( 0.444 -2.997 0.000) 3.029 4.994 ( -1.312 6.968 0.000) 7.091 5.002 ( -2.888 1.468 0.000) 3.240 5.106 ( -3.230 -1.857 0.000) 3.726 5.178 ( -1.545 -0.265 0.000) 1.568 5.195 ( -2.096 -0.796 0.000) 2.242 5.205 ( 0.285 -0.152 0.000) 0.323 5.240 ( 2.149 -0.641 0.000) 2.243 5.260 ( 1.963 -2.964 0.000) 3.555 5.425 ( -0.948 8.630 0.000) 8.681 5.444 ( -0.223 2.092 0.000) 2.104 5.483 ( -0.128 0.822 0.000) 0.832 5.534 ( -0.399 1.735 0.000) 1.780 5.553 ( 1.398 1.576 0.000) 2.107 5.587 ( -1.393 7.928 0.000) 8.049 5.658 ( 1.761 -2.258 0.000) 2.864 5.684 ( 3.056 3.313 0.000) 4.507 5.689 ( -4.030 8.235 0.000) 9.168 5.783 ( 2.151 -0.993 0.000) 2.369 5.826 ( 1.581 -1.224 0.000) 1.999 5.865 ( -0.861 1.403 0.000) 1.646 5.913 ( 1.493 3.712 0.000) 4.001 5.976 ( -8.694 10.443 0.000) 13.588 6.016 ( -3.865 0.348 0.000) 3.881 6.063 ( -3.714 0.529 0.000) 3.752 6.106 ( -2.058 -2.507 0.000) 3.244 6.140 ( -2.758 -2.079 0.000) 3.454 6.186 ( -5.883 -5.579 0.000) 8.108 6.367 ( -9.166 -4.546 0.000) 10.232 6.588 ( 0.929 2.121 0.000) 2.316 6.693 ( -2.337 0.867 0.000) 2.493 6.695 ( 4.554 0.767 0.000) 4.618 6.787 ( -0.144 0.373 0.000) 0.400 6.817 ( 2.375 0.469 0.000) 2.421 6.831 ( 4.645 -5.217 0.000) 6.985 6.884 ( 0.907 -4.374 0.000) 4.467 6.972 ( 13.413 -12.550 0.000) 18.368 7.299 ( 3.596 0.581 0.000) 3.642 7.369 ( 3.661 -1.585 0.000) 3.990 7.546 ( -3.342 5.543 0.000) 6.473 7.696 ( 4.815 1.239 0.000) 4.972 7.833 ( 0.157 -4.501 0.000) 4.503 7.852 ( 0.049 6.375 0.000) 6.375 7.886 ( -1.899 -2.817 0.000) 3.398 7.981 ( 0.916 4.241 0.000) 4.339 8.058 ( -0.109 -1.268 0.000) 1.273 8.107 ( 5.070 5.166 0.000) 7.238 8.207 ( 4.022 -4.001 0.000) 5.673 8.242 ( 0.760 8.154 0.000) 8.189 8.336 ( 2.089 9.288 0.000) 9.520 8.373 ( 10.367 -3.669 0.000) 10.997 8.581 ( 4.529 -11.018 0.000) 11.912 8.684 ( 3.139 -4.170 0.000) 5.219 9.101 ( -1.532 2.179 0.000) 2.664 9.191 ( -5.676 -1.223 0.000) 5.807 9.303 ( -3.923 1.626 0.000) 4.247 9.345 ( -4.358 -0.180 0.000) 4.362 9.487 ( -4.346 2.988 0.000) 5.274 9.504 ( -4.788 5.945 0.000) 7.633 9.549 ( -2.880 -0.282 0.000) 2.893 9.811 ( -16.016 -2.008 0.000) 16.141 11.627 ( 3.438 5.766 0.000) 6.714 11.708 ( 2.386 3.840 0.000) 4.520 11.711 ( -0.158 -2.587 0.000) 2.592 11.775 ( 0.472 -3.289 0.000) 3.323 11.872 ( 1.897 -0.928 0.000) 2.111 11.883 ( 2.232 -4.140 0.000) 4.703 11.929 ( -0.088 3.650 0.000) 3.651 12.004 ( 5.933 6.203 0.000) 8.584 12.017 ( 6.335 2.619 0.000) 6.855 12.121 ( 5.324 -3.614 0.000) 6.434 12.340 ( 10.843 -0.659 0.000) 10.863 12.414 ( 16.039 3.295 0.000) 16.374 12.429 ( 9.292 -10.870 0.000) 14.301 12.803 ( 1.042 -6.256 0.000) 6.343 13.099 ( -7.228 11.530 0.000) 13.608 13.724 ( -2.828 -14.778 0.000) 15.046 13.751 ( 2.305 2.072 0.000) 3.100 13.860 ( 2.513 -1.907 0.000) 3.154 14.002 ( -0.561 6.244 0.000) 6.269 14.337 ( -3.291 -6.419 0.000) 7.214 14.375 ( -7.064 4.511 0.000) 8.381 14.469 ( -3.394 -0.079 0.000) 3.395 14.509 ( -6.745 1.389 0.000) 6.886 14.580 ( -6.462 -0.769 0.000) 6.508 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.25 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 15.501 6.650 0.000) 16.867 0.827 ( 14.490 9.144 0.000) 17.134 1.065 ( 10.888 -3.472 0.000) 11.428 1.099 ( 7.430 1.061 0.000) 7.506 1.134 ( 7.686 6.116 0.000) 9.822 1.188 ( 5.574 6.783 0.000) 8.779 1.312 ( 6.468 -8.363 0.000) 10.573 1.372 ( 5.842 -3.135 0.000) 6.630 1.460 ( 17.136 5.290 0.000) 17.934 1.489 ( 8.683 1.336 0.000) 8.785 1.519 ( 4.705 -6.579 0.000) 8.089 1.532 ( 3.740 -0.454 0.000) 3.767 1.554 ( 1.781 -7.471 0.000) 7.681 1.649 ( 5.467 1.743 0.000) 5.738 1.651 ( 5.252 4.383 0.000) 6.841 1.681 ( -2.170 -2.735 0.000) 3.491 1.772 ( 2.244 -1.711 0.000) 2.822 1.775 ( -0.511 -1.651 0.000) 1.729 1.811 ( 7.539 -1.699 0.000) 7.728 1.821 ( 4.524 0.731 0.000) 4.582 1.947 ( -2.513 1.134 0.000) 2.757 1.996 ( -5.281 6.062 0.000) 8.040 2.018 ( -1.917 2.255 0.000) 2.960 2.132 ( -5.227 3.214 0.000) 6.136 2.139 ( -3.062 4.618 0.000) 5.541 2.226 ( -3.955 3.236 0.000) 5.110 2.230 ( -5.648 0.869 0.000) 5.715 2.252 ( -0.912 -1.800 0.000) 2.018 2.302 ( -0.522 3.774 0.000) 3.810 2.330 ( -2.547 1.002 0.000) 2.737 2.347 ( -2.993 -0.352 0.000) 3.014 2.348 ( -2.020 1.308 0.000) 2.407 2.371 ( -5.285 -1.400 0.000) 5.467 2.408 ( -1.927 0.162 0.000) 1.934 2.456 ( -1.074 -1.578 0.000) 1.908 2.468 ( -1.952 2.598 0.000) 3.249 2.525 ( -1.585 -4.963 0.000) 5.210 2.555 ( -1.118 -4.521 0.000) 4.657 2.574 ( -4.821 0.191 0.000) 4.825 2.620 ( -1.964 -2.306 0.000) 3.029 2.683 ( -5.945 2.087 0.000) 6.300 2.697 ( -4.325 -2.379 0.000) 4.936 2.743 ( -0.871 -0.127 0.000) 0.880 2.770 ( -5.467 5.595 0.000) 7.823 2.804 ( -6.070 -0.625 0.000) 6.102 2.827 ( 1.990 -0.911 0.000) 2.189 2.853 ( -0.013 -1.933 0.000) 1.933 2.902 ( -3.553 1.280 0.000) 3.776 2.929 ( 3.177 -2.004 0.000) 3.756 3.005 ( -5.208 -1.193 0.000) 5.343 3.053 ( 2.377 -5.038 0.000) 5.571 3.072 ( -2.245 -0.431 0.000) 2.286 3.106 ( -1.299 1.766 0.000) 2.192 3.129 ( -4.066 -0.755 0.000) 4.135 3.130 ( -1.248 -2.515 0.000) 2.807 3.158 ( -0.211 1.048 0.000) 1.069 3.167 ( -1.891 0.630 0.000) 1.993 3.198 ( 4.226 -2.215 0.000) 4.771 3.210 ( 2.618 -4.165 0.000) 4.920 3.228 ( 0.556 -0.688 0.000) 0.885 3.275 ( -3.043 -1.613 0.000) 3.444 3.278 ( -0.315 -1.423 0.000) 1.457 3.318 ( -0.741 -2.523 0.000) 2.630 3.349 ( 2.970 -2.017 0.000) 3.591 3.404 ( 6.329 1.298 0.000) 6.460 3.410 ( -0.505 -1.335 0.000) 1.427 3.431 ( -1.305 -3.518 0.000) 3.752 3.515 ( -0.281 -0.208 0.000) 0.350 3.536 ( 0.284 6.557 0.000) 6.563 3.552 ( 0.547 1.559 0.000) 1.652 3.582 ( 3.310 4.558 0.000) 5.633 3.615 ( -4.942 4.729 0.000) 6.840 3.665 ( -2.565 6.404 0.000) 6.899 3.675 ( 7.120 4.400 0.000) 8.370 3.705 ( -0.831 3.717 0.000) 3.809 3.741 ( 2.971 4.430 0.000) 5.334 3.752 ( -0.223 0.498 0.000) 0.546 3.830 ( -4.762 -1.783 0.000) 5.085 3.830 ( -3.620 -2.440 0.000) 4.365 3.881 ( 0.959 -7.837 0.000) 7.896 3.894 ( -4.753 1.263 0.000) 4.918 3.951 ( -0.377 6.492 0.000) 6.502 4.041 ( -2.430 -0.559 0.000) 2.494 4.066 ( -3.723 -7.377 0.000) 8.263 4.096 ( -1.707 -5.247 0.000) 5.518 4.123 ( -4.740 -7.481 0.000) 8.856 4.150 ( -5.093 -0.431 0.000) 5.111 4.221 ( -1.317 -3.397 0.000) 3.644 4.311 ( -2.138 0.035 0.000) 2.138 4.313 ( 1.593 2.798 0.000) 3.220 4.372 ( -1.041 2.424 0.000) 2.638 4.392 ( -0.727 -3.418 0.000) 3.495 4.397 ( 1.943 -1.312 0.000) 2.344 4.448 ( 5.673 -2.082 0.000) 6.043 4.495 ( 3.318 -0.920 0.000) 3.443 4.496 ( -1.382 0.777 0.000) 1.586 4.540 ( 4.527 4.721 0.000) 6.541 4.583 ( 0.580 -1.237 0.000) 1.366 4.613 ( 2.295 -6.114 0.000) 6.530 4.653 ( 1.058 -7.498 0.000) 7.572 4.679 ( -0.407 -4.517 0.000) 4.535 4.733 ( 0.180 -6.216 0.000) 6.218 4.781 ( 2.327 -4.749 0.000) 5.289 4.813 ( -1.355 2.766 0.000) 3.080 4.859 ( -0.795 -2.303 0.000) 2.436 4.867 ( 6.254 3.304 0.000) 7.073 4.887 ( 0.035 2.024 0.000) 2.025 4.896 ( -3.531 -3.630 0.000) 5.064 4.953 ( -3.923 0.281 0.000) 3.933 4.973 ( -0.706 5.827 0.000) 5.870 4.990 ( -3.818 -0.085 0.000) 3.819 5.174 ( 0.988 2.045 0.000) 2.271 5.182 ( 0.429 1.438 0.000) 1.500 5.220 ( 2.251 2.588 0.000) 3.430 5.289 ( 1.315 3.209 0.000) 3.468 5.314 ( 3.550 -0.167 0.000) 3.554 5.386 ( -2.040 7.841 0.000) 8.102 5.423 ( -2.699 4.497 0.000) 5.245 5.492 ( 2.215 -1.584 0.000) 2.723 5.532 ( 0.061 0.863 0.000) 0.865 5.599 ( 1.988 4.687 0.000) 5.091 5.614 ( 4.450 0.084 0.000) 4.451 5.664 ( -1.545 -1.282 0.000) 2.008 5.684 ( 1.257 5.293 0.000) 5.440 5.741 ( 1.781 1.533 0.000) 2.350 5.782 ( -4.386 3.183 0.000) 5.419 5.816 ( -0.961 3.859 0.000) 3.977 5.826 ( -1.762 -2.561 0.000) 3.109 5.901 ( -0.709 0.188 0.000) 0.733 5.927 ( -0.803 -1.266 0.000) 1.500 5.937 ( -3.795 -0.060 0.000) 3.795 5.983 ( -4.167 2.492 0.000) 4.856 6.045 ( -7.728 -3.987 0.000) 8.696 6.045 ( -3.817 -2.614 0.000) 4.627 6.081 ( -2.832 -1.719 0.000) 3.313 6.161 ( -10.178 -3.919 0.000) 10.907 6.639 ( 4.466 2.711 0.000) 5.225 6.675 ( 0.791 2.269 0.000) 2.403 6.779 ( 3.355 2.127 0.000) 3.972 6.784 ( 0.299 1.308 0.000) 1.342 6.893 ( 4.554 0.537 0.000) 4.585 6.895 ( 1.698 -4.847 0.000) 5.136 6.956 ( 6.348 -6.473 0.000) 9.066 7.120 ( 4.401 -6.706 0.000) 8.021 7.371 ( 3.587 1.501 0.000) 3.889 7.452 ( 4.841 -1.591 0.000) 5.096 7.492 ( -2.001 6.496 0.000) 6.797 7.776 ( 1.942 -2.540 0.000) 3.197 7.797 ( -3.888 6.230 0.000) 7.344 7.819 ( -3.109 -3.734 0.000) 4.859 7.857 ( 1.465 -4.518 0.000) 4.749 7.996 ( -2.514 -1.906 0.000) 3.154 8.104 ( 6.728 4.675 0.000) 8.192 8.210 ( 4.744 6.690 0.000) 8.201 8.315 ( 5.560 7.319 0.000) 9.192 8.322 ( 6.733 -2.404 0.000) 7.149 8.387 ( 2.997 7.273 0.000) 7.866 8.576 ( 6.806 -4.795 0.000) 8.326 8.602 ( 1.438 -8.755 0.000) 8.872 8.725 ( 0.869 -4.567 0.000) 4.649 9.064 ( -2.759 1.397 0.000) 3.092 9.092 ( -3.214 1.436 0.000) 3.520 9.212 ( -5.969 0.910 0.000) 6.038 9.216 ( -7.590 1.436 0.000) 7.724 9.394 ( -5.002 1.618 0.000) 5.257 9.394 ( -5.870 4.271 0.000) 7.259 9.457 ( -6.152 -1.180 0.000) 6.264 9.535 ( -12.677 -0.752 0.000) 12.699 11.710 ( 4.060 2.809 0.000) 4.937 11.729 ( 1.838 -2.291 0.000) 2.937 11.770 ( 3.526 5.370 0.000) 6.424 11.810 ( 4.105 -2.233 0.000) 4.673 11.891 ( -0.961 -0.455 0.000) 1.063 11.928 ( 3.511 -0.218 0.000) 3.517 11.945 ( 0.666 -1.842 0.000) 1.959 12.126 ( 4.150 2.146 0.000) 4.672 12.157 ( 9.632 7.033 0.000) 11.926 12.195 ( 5.364 0.741 0.000) 5.415 12.487 ( 2.847 -6.547 0.000) 7.139 12.599 ( 5.662 -10.960 0.000) 12.337 12.749 ( 17.501 1.224 0.000) 17.543 12.900 ( 9.862 -1.360 0.000) 9.955 12.987 ( -2.659 12.198 0.000) 12.485 13.643 ( -5.500 -13.466 0.000) 14.546 13.810 ( 3.766 2.067 0.000) 4.296 13.924 ( 3.922 -1.778 0.000) 4.306 13.990 ( -0.559 4.700 0.000) 4.733 14.229 ( -7.926 3.723 0.000) 8.757 14.255 ( -4.877 -5.001 0.000) 6.985 14.342 ( -9.376 1.989 0.000) 9.585 14.381 ( -6.268 -1.946 0.000) 6.564 14.435 ( -8.372 -1.135 0.000) 8.448 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.38 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 15.272 4.882 0.000) 16.033 1.096 ( 13.375 6.487 0.000) 14.865 1.232 ( 5.839 2.321 0.000) 6.283 1.260 ( 3.971 7.418 0.000) 8.414 1.265 ( 9.023 -1.673 0.000) 9.176 1.292 ( 5.859 5.511 0.000) 8.044 1.388 ( 2.737 -2.689 0.000) 3.837 1.407 ( 0.289 -1.407 0.000) 1.436 1.529 ( -3.156 2.425 0.000) 3.980 1.531 ( -1.061 -1.185 0.000) 1.590 1.585 ( -4.585 -1.449 0.000) 4.808 1.588 ( -3.032 -3.507 0.000) 4.636 1.653 ( -0.038 -0.806 0.000) 0.807 1.665 ( 3.725 0.141 0.000) 3.727 1.703 ( -2.374 -2.697 0.000) 3.593 1.767 ( 4.423 3.689 0.000) 5.759 1.774 ( -1.642 0.192 0.000) 1.653 1.780 ( 8.328 5.551 0.000) 10.009 1.895 ( -0.159 6.773 0.000) 6.775 1.930 ( -0.028 4.433 0.000) 4.433 1.949 ( 6.620 3.969 0.000) 7.719 1.955 ( 5.794 -2.055 0.000) 6.148 2.010 ( 0.932 -0.418 0.000) 1.022 2.069 ( -2.808 1.921 0.000) 3.402 2.104 ( -1.559 0.746 0.000) 1.728 2.158 ( 0.192 1.757 0.000) 1.768 2.168 ( -1.765 1.718 0.000) 2.464 2.221 ( -2.223 -2.192 0.000) 3.122 2.243 ( -4.758 -1.418 0.000) 4.965 2.282 ( -4.271 -2.653 0.000) 5.028 2.313 ( 0.769 -0.365 0.000) 0.851 2.331 ( -0.018 -0.112 0.000) 0.114 2.351 ( 0.814 -4.206 0.000) 4.284 2.357 ( -2.088 0.164 0.000) 2.094 2.449 ( -1.305 -1.214 0.000) 1.782 2.459 ( 0.912 -0.610 0.000) 1.097 2.476 ( -2.313 -4.953 0.000) 5.466 2.510 ( -1.995 2.650 0.000) 3.317 2.524 ( -0.489 -5.058 0.000) 5.082 2.589 ( -0.686 0.629 0.000) 0.931 2.608 ( -0.829 4.546 0.000) 4.621 2.640 ( -1.709 -0.640 0.000) 1.824 2.671 ( -6.868 0.644 0.000) 6.898 2.681 ( -4.349 0.335 0.000) 4.362 2.742 ( 2.461 -1.866 0.000) 3.089 2.804 ( 0.223 2.240 0.000) 2.251 2.808 ( -5.500 0.529 0.000) 5.526 2.882 ( -6.502 -2.597 0.000) 7.002 2.950 ( 1.973 -1.686 0.000) 2.596 2.959 ( -3.427 -1.393 0.000) 3.700 2.993 ( -1.163 -2.129 0.000) 2.426 3.011 ( -9.158 -3.643 0.000) 9.856 3.052 ( 1.258 -1.107 0.000) 1.676 3.086 ( -2.961 -2.789 0.000) 4.068 3.101 ( -4.168 2.242 0.000) 4.732 3.124 ( -1.082 1.895 0.000) 2.182 3.130 ( 0.888 2.969 0.000) 3.099 3.205 ( -2.203 -0.282 0.000) 2.221 3.223 ( -0.067 -2.244 0.000) 2.245 3.237 ( 0.163 -1.826 0.000) 1.833 3.277 ( 0.151 -0.730 0.000) 0.746 3.314 ( -0.351 -5.404 0.000) 5.416 3.332 ( 6.815 -1.593 0.000) 6.998 3.354 ( -1.528 -4.758 0.000) 4.997 3.445 ( 3.393 -3.262 0.000) 4.706 3.470 ( -0.470 -0.417 0.000) 0.628 3.473 ( 0.770 -2.133 0.000) 2.268 3.501 ( 0.454 -1.798 0.000) 1.854 3.537 ( 4.107 -0.057 0.000) 4.107 3.590 ( 2.154 2.265 0.000) 3.125 3.600 ( -1.066 0.827 0.000) 1.349 3.623 ( 1.947 6.613 0.000) 6.893 3.644 ( 1.210 4.106 0.000) 4.280 3.648 ( -0.035 3.196 0.000) 3.196 3.749 ( -0.750 2.976 0.000) 3.069 3.774 ( 3.398 -0.672 0.000) 3.464 3.784 ( 1.639 1.779 0.000) 2.419 3.802 ( -1.092 -2.090 0.000) 2.358 3.804 ( -0.852 0.336 0.000) 0.916 3.858 ( -1.433 -4.848 0.000) 5.056 3.896 ( -6.318 4.593 0.000) 7.812 3.900 ( 3.849 4.045 0.000) 5.583 4.012 ( -2.684 -1.726 0.000) 3.191 4.049 ( 2.021 -4.502 0.000) 4.935 4.063 ( 0.226 -3.331 0.000) 3.339 4.075 ( 1.101 -6.481 0.000) 6.574 4.131 ( 4.671 3.619 0.000) 5.909 4.180 ( -2.331 -2.815 0.000) 3.655 4.269 ( -3.095 1.198 0.000) 3.319 4.354 ( -1.794 3.008 0.000) 3.503 4.357 ( -0.274 1.182 0.000) 1.214 4.363 ( 2.631 3.375 0.000) 4.279 4.376 ( -5.190 0.316 0.000) 5.200 4.446 ( -3.238 3.108 0.000) 4.488 4.475 ( -6.560 -0.770 0.000) 6.605 4.537 ( 1.949 -2.113 0.000) 2.875 4.603 ( 2.438 -5.207 0.000) 5.749 4.640 ( -0.651 -5.552 0.000) 5.590 4.643 ( 2.399 -6.222 0.000) 6.668 4.651 ( 2.681 -0.217 0.000) 2.690 4.692 ( 0.126 -7.487 0.000) 7.488 4.697 ( -1.498 -1.415 0.000) 2.061 4.797 ( -0.163 0.464 0.000) 0.492 4.806 ( -4.180 -5.778 0.000) 7.131 4.817 ( 0.113 0.438 0.000) 0.452 4.822 ( -0.024 -3.831 0.000) 3.831 4.881 ( 0.053 -2.695 0.000) 2.695 4.906 ( 1.434 -3.190 0.000) 3.498 4.956 ( -0.152 6.025 0.000) 6.027 4.960 ( 4.590 3.310 0.000) 5.659 5.053 ( 3.066 1.156 0.000) 3.277 5.160 ( -2.892 -1.010 0.000) 3.063 5.209 ( 2.103 5.386 0.000) 5.782 5.271 ( 1.815 6.715 0.000) 6.956 5.279 ( -1.450 7.505 0.000) 7.643 5.313 ( -1.646 9.476 0.000) 9.618 5.399 ( 1.284 3.619 0.000) 3.840 5.435 ( 4.048 -2.716 0.000) 4.875 5.535 ( 0.699 1.188 0.000) 1.378 5.536 ( 1.887 -3.163 0.000) 3.683 5.611 ( -1.648 4.534 0.000) 4.824 5.614 ( -2.840 1.205 0.000) 3.085 5.667 ( -1.926 2.640 0.000) 3.268 5.699 ( 3.693 -1.287 0.000) 3.910 5.709 ( -3.958 1.034 0.000) 4.091 5.749 ( 0.649 0.617 0.000) 0.896 5.788 ( -2.190 -2.068 0.000) 3.012 5.813 ( -0.524 3.569 0.000) 3.607 5.835 ( -3.015 -2.804 0.000) 4.117 5.878 ( -2.454 0.174 0.000) 2.460 5.901 ( -5.322 -0.657 0.000) 5.363 5.911 ( -3.404 1.747 0.000) 3.826 5.942 ( 0.082 -3.611 0.000) 3.612 5.987 ( -1.977 -3.050 0.000) 3.634 6.049 ( -0.586 -2.595 0.000) 2.661 6.057 ( -1.421 -3.598 0.000) 3.868 6.702 ( 2.676 2.859 0.000) 3.916 6.762 ( 6.661 3.454 0.000) 7.504 6.776 ( -0.657 1.520 0.000) 1.656 6.843 ( 2.546 1.525 0.000) 2.968 6.920 ( 0.922 -3.391 0.000) 3.514 6.949 ( 0.886 1.222 0.000) 1.509 7.068 ( 5.037 -6.280 0.000) 8.050 7.165 ( 0.402 -4.067 0.000) 4.087 7.428 ( 2.333 2.805 0.000) 3.649 7.470 ( -0.538 6.074 0.000) 6.098 7.550 ( 5.602 -2.067 0.000) 5.971 7.732 ( -3.367 -1.438 0.000) 3.661 7.738 ( -2.127 4.950 0.000) 5.387 7.795 ( -2.787 -2.679 0.000) 3.866 7.883 ( 1.351 -6.428 0.000) 6.569 7.943 ( -2.427 -3.693 0.000) 4.419 8.229 ( 5.521 5.798 0.000) 8.007 8.279 ( 2.523 6.731 0.000) 7.188 8.403 ( 3.039 6.908 0.000) 7.547 8.412 ( 2.355 5.677 0.000) 6.146 8.453 ( 3.727 -1.207 0.000) 3.918 8.541 ( -2.688 -3.750 0.000) 4.614 8.723 ( 3.704 -6.387 0.000) 7.383 8.727 ( -0.033 -4.771 0.000) 4.771 9.023 ( -0.412 3.299 0.000) 3.324 9.061 ( -1.265 2.071 0.000) 2.426 9.074 ( -4.944 2.910 0.000) 5.737 9.131 ( -3.874 2.140 0.000) 4.426 9.299 ( -3.690 1.113 0.000) 3.854 9.312 ( -3.301 -0.661 0.000) 3.367 9.345 ( -4.946 -1.183 0.000) 5.085 9.348 ( -6.484 -1.001 0.000) 6.561 11.757 ( 1.870 -1.314 0.000) 2.285 11.781 ( 2.985 -1.022 0.000) 3.155 11.816 ( 0.571 2.499 0.000) 2.563 11.869 ( -1.167 0.742 0.000) 1.383 11.928 ( 7.388 -2.630 0.000) 7.843 11.942 ( -0.113 -3.213 0.000) 3.215 11.981 ( 1.427 -1.872 0.000) 2.354 12.157 ( -1.284 -3.820 0.000) 4.030 12.320 ( 6.401 5.395 0.000) 8.372 12.336 ( 8.008 8.628 0.000) 11.772 12.491 ( -0.386 -1.029 0.000) 1.099 12.603 ( -3.464 0.033 0.000) 3.464 13.037 ( 6.043 4.945 0.000) 7.808 13.049 ( 12.240 -2.008 0.000) 12.403 13.100 ( 10.319 -1.805 0.000) 10.476 13.515 ( -8.101 -9.847 0.000) 12.751 13.892 ( 4.965 2.125 0.000) 5.400 13.967 ( 0.446 3.283 0.000) 3.313 14.027 ( 4.911 -1.989 0.000) 5.299 14.088 ( -6.472 3.267 0.000) 7.250 14.162 ( -9.191 2.189 0.000) 9.448 14.176 ( -2.683 -3.594 0.000) 4.485 14.255 ( -6.559 -2.960 0.000) 7.196 14.281 ( -7.493 -2.086 0.000) 7.778 ======================= Grid point 13 (10/30) ======================= q-point: (-0.50 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -1.011 5.179 0.000) 5.277 1.289 ( 1.011 5.179 0.000) 5.277 1.290 ( -3.598 4.715 0.000) 5.931 1.290 ( 3.598 4.715 0.000) 5.931 1.345 ( -1.869 4.213 0.000) 4.609 1.345 ( 1.869 4.213 0.000) 4.609 1.369 ( -1.974 4.400 0.000) 4.823 1.369 ( 1.974 4.400 0.000) 4.823 1.508 ( -0.532 1.097 0.000) 1.219 1.508 ( 0.532 1.097 0.000) 1.219 1.514 ( -0.544 1.684 0.000) 1.770 1.514 ( 0.544 1.684 0.000) 1.770 1.651 ( -2.572 -3.049 0.000) 3.989 1.651 ( 2.572 -3.049 0.000) 3.989 1.736 ( -1.956 -2.857 0.000) 3.462 1.736 ( 1.956 -2.857 0.000) 3.462 1.818 ( -1.607 4.519 0.000) 4.796 1.818 ( 1.607 4.519 0.000) 4.796 1.935 ( -1.366 3.450 0.000) 3.711 1.935 ( 1.366 3.450 0.000) 3.711 2.007 ( -0.474 1.006 0.000) 1.112 2.007 ( 0.474 1.006 0.000) 1.112 2.047 ( -2.024 -0.385 0.000) 2.061 2.047 ( 2.024 -0.385 0.000) 2.061 2.140 ( -6.765 -0.797 0.000) 6.812 2.140 ( 6.765 -0.797 0.000) 6.812 2.172 ( -1.199 -1.201 0.000) 1.697 2.172 ( 1.199 -1.201 0.000) 1.697 2.194 ( -1.718 -0.284 0.000) 1.741 2.194 ( 1.718 -0.284 0.000) 1.741 2.321 ( -0.741 -3.600 0.000) 3.675 2.321 ( 0.741 -3.600 0.000) 3.675 2.365 ( -0.383 -0.985 0.000) 1.057 2.365 ( 0.383 -0.985 0.000) 1.057 2.422 ( -0.154 -3.441 0.000) 3.445 2.422 ( 0.154 -3.441 0.000) 3.445 2.487 ( -0.314 -0.617 0.000) 0.692 2.487 ( 0.314 -0.617 0.000) 0.692 2.569 ( -3.485 -0.759 0.000) 3.567 2.569 ( 3.485 -0.759 0.000) 3.567 2.618 ( -0.506 -0.127 0.000) 0.522 2.618 ( 0.506 -0.127 0.000) 0.522 2.680 ( -2.354 -0.613 0.000) 2.433 2.680 ( 2.354 -0.613 0.000) 2.433 2.693 ( -3.895 1.896 0.000) 4.332 2.693 ( 3.895 1.896 0.000) 4.332 2.813 ( -3.281 -1.795 0.000) 3.740 2.813 ( 3.281 -1.795 0.000) 3.740 2.899 ( -1.206 -0.582 0.000) 1.339 2.899 ( 1.206 -0.582 0.000) 1.339 2.975 ( -0.704 -2.507 0.000) 2.604 2.975 ( 0.704 -2.507 0.000) 2.604 3.050 ( -0.562 0.288 0.000) 0.632 3.050 ( 0.562 0.288 0.000) 0.632 3.108 ( -2.162 -0.159 0.000) 2.168 3.108 ( 2.162 -0.159 0.000) 2.168 3.160 ( -2.801 4.067 0.000) 4.939 3.160 ( 2.801 4.067 0.000) 4.939 3.223 ( -0.410 -2.659 0.000) 2.691 3.223 ( 0.410 -2.659 0.000) 2.691 3.282 ( -0.801 -2.146 0.000) 2.291 3.282 ( 0.801 -2.146 0.000) 2.291 3.394 ( -1.539 -4.692 0.000) 4.938 3.394 ( 1.539 -4.692 0.000) 4.938 3.462 ( -0.078 -1.067 0.000) 1.070 3.462 ( 0.078 -1.067 0.000) 1.070 3.488 ( -1.040 -3.181 0.000) 3.346 3.488 ( 1.040 -3.181 0.000) 3.346 3.577 ( -0.363 1.334 0.000) 1.382 3.577 ( 0.363 1.334 0.000) 1.382 3.658 ( -0.929 4.045 0.000) 4.150 3.658 ( 0.929 4.045 0.000) 4.150 3.675 ( -4.050 -0.397 0.000) 4.070 3.675 ( 4.050 -0.397 0.000) 4.070 3.745 ( -1.775 1.310 0.000) 2.206 3.745 ( 1.775 1.310 0.000) 2.206 3.781 ( -0.347 3.305 0.000) 3.323 3.781 ( 0.347 3.305 0.000) 3.323 3.832 ( -0.871 -1.491 0.000) 1.727 3.832 ( 0.871 -1.491 0.000) 1.727 3.863 ( -1.690 -3.076 0.000) 3.510 3.863 ( 1.690 -3.076 0.000) 3.510 4.039 ( -0.912 1.104 0.000) 1.432 4.039 ( 0.912 1.104 0.000) 1.432 4.130 ( -3.935 -0.008 0.000) 3.935 4.130 ( 3.935 -0.008 0.000) 3.935 4.173 ( -4.725 4.057 0.000) 6.228 4.173 ( 4.725 4.057 0.000) 6.228 4.254 ( -4.335 -2.133 0.000) 4.832 4.254 ( 4.335 -2.133 0.000) 4.832 4.339 ( -0.828 0.133 0.000) 0.839 4.339 ( 0.828 0.133 0.000) 0.839 4.388 ( -2.454 -1.296 0.000) 2.776 4.388 ( 2.454 -1.296 0.000) 2.776 4.458 ( -5.944 3.330 0.000) 6.813 4.458 ( 5.944 3.330 0.000) 6.813 4.622 ( -0.046 0.711 0.000) 0.712 4.622 ( 0.046 0.711 0.000) 0.712 4.673 ( -1.443 -8.718 0.000) 8.837 4.673 ( 1.443 -8.718 0.000) 8.837 4.715 ( -2.961 -9.059 0.000) 9.531 4.715 ( 2.961 -9.059 0.000) 9.531 4.785 ( -1.563 2.332 0.000) 2.807 4.785 ( 1.563 2.332 0.000) 2.807 4.817 ( -0.437 -4.928 0.000) 4.947 4.817 ( 0.437 -4.928 0.000) 4.947 4.900 ( -1.193 -0.667 0.000) 1.367 4.900 ( 1.193 -0.667 0.000) 1.367 5.006 ( -3.139 3.162 0.000) 4.455 5.006 ( 3.139 3.162 0.000) 4.455 5.079 ( -4.199 0.340 0.000) 4.213 5.079 ( 4.199 0.340 0.000) 4.213 5.255 ( -2.039 6.871 0.000) 7.167 5.255 ( 2.039 6.871 0.000) 7.167 5.288 ( -1.008 9.037 0.000) 9.093 5.288 ( 1.008 9.037 0.000) 9.093 5.447 ( -2.177 -0.912 0.000) 2.360 5.447 ( 2.177 -0.912 0.000) 2.360 5.560 ( -0.103 -1.588 0.000) 1.592 5.560 ( 0.103 -1.588 0.000) 1.592 5.585 ( -0.186 2.819 0.000) 2.825 5.585 ( 0.186 2.819 0.000) 2.825 5.645 ( -0.718 2.402 0.000) 2.507 5.645 ( 0.718 2.402 0.000) 2.507 5.746 ( -0.786 -1.554 0.000) 1.741 5.746 ( 0.786 -1.554 0.000) 1.741 5.777 ( -1.660 -0.323 0.000) 1.691 5.777 ( 1.660 -0.323 0.000) 1.691 5.841 ( -0.436 1.377 0.000) 1.444 5.841 ( 0.436 1.377 0.000) 1.444 5.858 ( -2.423 -0.629 0.000) 2.504 5.858 ( 2.423 -0.629 0.000) 2.504 5.961 ( -1.118 -3.184 0.000) 3.375 5.961 ( 1.118 -3.184 0.000) 3.375 6.048 ( -0.189 -3.477 0.000) 3.482 6.048 ( 0.189 -3.477 0.000) 3.482 6.751 ( -2.089 2.359 0.000) 3.151 6.751 ( 2.089 2.359 0.000) 3.151 6.857 ( -2.050 2.038 0.000) 2.891 6.857 ( 2.050 2.038 0.000) 2.891 6.936 ( -1.219 -0.497 0.000) 1.317 6.936 ( 1.219 -0.497 0.000) 1.317 7.142 ( -2.670 -4.637 0.000) 5.351 7.142 ( 2.670 -4.637 0.000) 5.351 7.458 ( -0.971 4.589 0.000) 4.690 7.458 ( 0.971 4.589 0.000) 4.690 7.661 ( -5.296 -2.808 0.000) 5.995 7.661 ( 5.296 -2.808 0.000) 5.995 7.728 ( -1.768 2.669 0.000) 3.201 7.728 ( 1.768 2.669 0.000) 3.201 7.909 ( -1.354 -5.432 0.000) 5.599 7.909 ( 1.354 -5.432 0.000) 5.599 8.295 ( -1.205 6.373 0.000) 6.486 8.295 ( 1.205 6.373 0.000) 6.486 8.431 ( -0.198 6.323 0.000) 6.326 8.431 ( 0.198 6.323 0.000) 6.326 8.502 ( -1.719 -2.115 0.000) 2.726 8.502 ( 1.719 -2.115 0.000) 2.726 8.738 ( -0.915 -5.827 0.000) 5.898 8.738 ( 0.915 -5.827 0.000) 5.898 9.036 ( -0.086 3.439 0.000) 3.440 9.036 ( 0.086 3.439 0.000) 3.440 9.058 ( -3.105 3.650 0.000) 4.793 9.058 ( 3.105 3.650 0.000) 4.793 9.276 ( -0.868 -1.134 0.000) 1.428 9.276 ( 0.868 -1.134 0.000) 1.428 9.289 ( -0.137 -1.576 0.000) 1.582 9.289 ( 0.137 -1.576 0.000) 1.582 11.794 ( -1.988 -0.588 0.000) 2.073 11.794 ( 1.988 -0.588 0.000) 2.073 11.835 ( -2.548 -0.493 0.000) 2.595 11.835 ( 2.548 -0.493 0.000) 2.595 11.965 ( -1.899 -3.199 0.000) 3.720 11.965 ( 1.899 -3.199 0.000) 3.720 12.074 ( -6.715 -4.808 0.000) 8.259 12.074 ( 6.715 -4.808 0.000) 8.259 12.402 ( -1.479 7.074 0.000) 7.227 12.402 ( 1.479 7.074 0.000) 7.227 12.527 ( -4.054 5.045 0.000) 6.472 12.527 ( 4.054 5.045 0.000) 6.472 13.127 ( -1.797 -0.260 0.000) 1.816 13.127 ( 1.797 -0.260 0.000) 1.816 13.329 ( -11.550 -5.747 0.000) 12.901 13.329 ( 11.550 -5.747 0.000) 12.901 13.995 ( -3.329 2.970 0.000) 4.462 13.995 ( 3.329 2.970 0.000) 4.462 14.006 ( -6.886 2.318 0.000) 7.265 14.006 ( 6.886 2.318 0.000) 7.265 14.135 ( -6.273 -2.659 0.000) 6.813 14.135 ( 6.273 -2.659 0.000) 6.813 14.175 ( -2.866 -3.018 0.000) 4.162 14.175 ( 2.866 -3.018 0.000) 4.162 ======================= Grid point 18 (11/30) ======================= q-point: ( 0.00 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 -11.842 0.000) 11.842 0.622 ( 0.000 11.842 0.000) 11.842 0.845 ( 0.000 -18.941 0.000) 18.941 0.845 ( 0.000 18.941 0.000) 18.941 1.139 ( 0.000 -11.371 0.000) 11.371 1.139 ( 0.000 11.371 0.000) 11.371 1.159 ( 0.000 -12.469 0.000) 12.469 1.159 ( 0.000 12.469 0.000) 12.469 1.242 ( 0.000 -12.484 0.000) 12.484 1.242 ( 0.000 12.484 0.000) 12.484 1.288 ( 0.000 -22.295 0.000) 22.295 1.288 ( 0.000 22.295 0.000) 22.295 1.348 ( 0.000 -8.850 0.000) 8.850 1.348 ( 0.000 8.850 0.000) 8.850 1.572 ( 0.000 -6.450 0.000) 6.450 1.572 ( 0.000 6.450 0.000) 6.450 1.635 ( 0.000 -8.386 0.000) 8.386 1.635 ( 0.000 8.386 0.000) 8.386 1.678 ( 0.000 -3.799 0.000) 3.799 1.678 ( 0.000 3.799 0.000) 3.799 2.014 ( 0.000 -2.641 0.000) 2.641 2.014 ( 0.000 2.641 0.000) 2.641 2.164 ( 0.000 -1.797 0.000) 1.797 2.164 ( 0.000 1.797 0.000) 1.797 2.299 ( 0.000 -4.142 0.000) 4.142 2.299 ( 0.000 4.142 0.000) 4.142 2.403 ( 0.000 -3.422 0.000) 3.422 2.403 ( 0.000 3.422 0.000) 3.422 2.412 ( 0.000 -4.871 0.000) 4.871 2.412 ( 0.000 4.871 0.000) 4.871 2.439 ( 0.000 -4.342 0.000) 4.342 2.439 ( 0.000 4.342 0.000) 4.342 2.522 ( 0.000 -7.518 0.000) 7.518 2.522 ( 0.000 7.518 0.000) 7.518 2.535 ( 0.000 -1.200 0.000) 1.200 2.535 ( 0.000 1.200 0.000) 1.200 2.608 ( 0.000 -3.717 0.000) 3.717 2.608 ( 0.000 3.717 0.000) 3.717 2.645 ( 0.000 -6.121 0.000) 6.121 2.645 ( 0.000 6.121 0.000) 6.121 2.687 ( 0.000 -0.928 0.000) 0.928 2.687 ( 0.000 0.928 0.000) 0.928 2.758 ( 0.000 -3.924 0.000) 3.924 2.758 ( 0.000 3.924 0.000) 3.924 2.806 ( 0.000 -0.480 0.000) 0.480 2.806 ( 0.000 0.480 0.000) 0.480 2.911 ( 0.000 -5.514 0.000) 5.514 2.911 ( 0.000 5.514 0.000) 5.514 3.000 ( 0.000 -1.368 0.000) 1.368 3.000 ( 0.000 1.368 0.000) 1.368 3.010 ( 0.000 -2.439 0.000) 2.439 3.010 ( 0.000 2.439 0.000) 2.439 3.054 ( 0.000 -3.239 0.000) 3.239 3.054 ( 0.000 3.239 0.000) 3.239 3.162 ( 0.000 -0.942 0.000) 0.942 3.162 ( 0.000 0.942 0.000) 0.942 3.193 ( 0.000 -3.125 0.000) 3.125 3.193 ( 0.000 3.125 0.000) 3.125 3.260 ( 0.000 -3.111 0.000) 3.111 3.260 ( 0.000 3.111 0.000) 3.111 3.274 ( 0.000 -1.749 0.000) 1.749 3.274 ( 0.000 1.749 0.000) 1.749 3.332 ( 0.000 -3.611 0.000) 3.611 3.332 ( 0.000 3.611 0.000) 3.611 3.351 ( 0.000 -7.932 0.000) 7.932 3.351 ( 0.000 7.932 0.000) 7.932 3.486 ( 0.000 -0.952 0.000) 0.952 3.486 ( 0.000 0.952 0.000) 0.952 3.547 ( 0.000 -8.819 0.000) 8.819 3.547 ( 0.000 8.819 0.000) 8.819 3.703 ( 0.000 -1.455 0.000) 1.455 3.703 ( 0.000 1.455 0.000) 1.455 3.724 ( 0.000 -6.600 0.000) 6.600 3.724 ( 0.000 6.600 0.000) 6.600 3.790 ( 0.000 -1.433 0.000) 1.433 3.790 ( 0.000 1.433 0.000) 1.433 3.943 ( 0.000 -14.700 0.000) 14.700 3.943 ( 0.000 14.700 0.000) 14.700 3.985 ( 0.000 -2.818 0.000) 2.818 3.985 ( 0.000 2.818 0.000) 2.818 3.999 ( 0.000 -2.988 0.000) 2.988 3.999 ( 0.000 2.988 0.000) 2.988 4.113 ( 0.000 -14.215 0.000) 14.215 4.113 ( 0.000 14.215 0.000) 14.215 4.116 ( 0.000 -5.700 0.000) 5.700 4.116 ( 0.000 5.700 0.000) 5.700 4.247 ( 0.000 -6.956 0.000) 6.956 4.247 ( 0.000 6.956 0.000) 6.956 4.288 ( 0.000 -0.474 0.000) 0.474 4.288 ( 0.000 0.474 0.000) 0.474 4.304 ( 0.000 -4.810 0.000) 4.810 4.304 ( 0.000 4.810 0.000) 4.810 4.363 ( 0.000 -2.624 0.000) 2.624 4.363 ( 0.000 2.624 0.000) 2.624 4.437 ( 0.000 -2.923 0.000) 2.923 4.437 ( 0.000 2.923 0.000) 2.923 4.454 ( 0.000 -7.417 0.000) 7.417 4.454 ( 0.000 7.417 0.000) 7.417 4.522 ( 0.000 -3.577 0.000) 3.577 4.522 ( 0.000 3.577 0.000) 3.577 4.649 ( 0.000 -6.034 0.000) 6.034 4.649 ( 0.000 6.034 0.000) 6.034 4.693 ( 0.000 -0.848 0.000) 0.848 4.693 ( 0.000 0.848 0.000) 0.848 4.788 ( 0.000 -7.226 0.000) 7.226 4.788 ( 0.000 7.226 0.000) 7.226 4.902 ( 0.000 -3.511 0.000) 3.511 4.902 ( 0.000 3.511 0.000) 3.511 5.086 ( 0.000 -1.344 0.000) 1.344 5.086 ( 0.000 1.344 0.000) 1.344 5.129 ( 0.000 -5.631 0.000) 5.631 5.129 ( 0.000 5.631 0.000) 5.631 5.191 ( 0.000 -0.462 0.000) 0.462 5.191 ( 0.000 0.462 0.000) 0.462 5.193 ( 0.000 -2.420 0.000) 2.420 5.193 ( 0.000 2.420 0.000) 2.420 5.477 ( 0.000 -0.742 0.000) 0.742 5.477 ( 0.000 0.742 0.000) 0.742 5.548 ( 0.000 -4.621 0.000) 4.621 5.548 ( 0.000 4.621 0.000) 4.621 5.581 ( 0.000 -0.409 0.000) 0.409 5.581 ( 0.000 0.409 0.000) 0.409 5.740 ( 0.000 -0.911 0.000) 0.911 5.740 ( 0.000 0.911 0.000) 0.911 5.761 ( 0.000 -3.952 0.000) 3.952 5.761 ( 0.000 3.952 0.000) 3.952 5.828 ( 0.000 -1.858 0.000) 1.858 5.828 ( 0.000 1.858 0.000) 1.858 6.076 ( 0.000 -9.189 0.000) 9.189 6.076 ( 0.000 9.189 0.000) 9.189 6.084 ( 0.000 -0.472 0.000) 0.472 6.084 ( 0.000 0.472 0.000) 0.472 6.100 ( 0.000 -3.332 0.000) 3.332 6.100 ( 0.000 3.332 0.000) 3.332 6.352 ( 0.000 -5.837 0.000) 5.837 6.352 ( 0.000 5.837 0.000) 5.837 6.621 ( 0.000 -0.882 0.000) 0.882 6.621 ( 0.000 0.882 0.000) 0.882 6.657 ( 0.000 -4.601 0.000) 4.601 6.657 ( 0.000 4.601 0.000) 4.601 6.795 ( 0.000 -3.518 0.000) 3.518 6.795 ( 0.000 3.518 0.000) 3.518 6.804 ( 0.000 -0.304 0.000) 0.304 6.804 ( 0.000 0.304 0.000) 0.304 7.286 ( 0.000 -2.005 0.000) 2.005 7.286 ( 0.000 2.005 0.000) 2.005 7.700 ( 0.000 -4.600 0.000) 4.600 7.700 ( 0.000 4.600 0.000) 4.600 7.794 ( 0.000 -4.446 0.000) 4.446 7.794 ( 0.000 4.446 0.000) 4.446 7.958 ( 0.000 -5.650 0.000) 5.650 7.958 ( 0.000 5.650 0.000) 5.650 8.097 ( 0.000 -4.225 0.000) 4.225 8.097 ( 0.000 4.225 0.000) 4.225 8.169 ( 0.000 -4.647 0.000) 4.647 8.169 ( 0.000 4.647 0.000) 4.647 8.381 ( 0.000 -4.943 0.000) 4.943 8.381 ( 0.000 4.943 0.000) 4.943 8.520 ( 0.000 -8.094 0.000) 8.094 8.520 ( 0.000 8.094 0.000) 8.094 9.188 ( 0.000 -3.356 0.000) 3.356 9.188 ( 0.000 3.356 0.000) 3.356 9.375 ( 0.000 -1.064 0.000) 1.064 9.375 ( 0.000 1.064 0.000) 1.064 9.577 ( 0.000 -0.254 0.000) 0.254 9.577 ( 0.000 0.254 0.000) 0.254 9.755 ( 0.000 -12.138 0.000) 12.138 9.755 ( 0.000 12.138 0.000) 12.138 11.703 ( 0.000 -3.433 0.000) 3.433 11.703 ( 0.000 3.433 0.000) 3.433 11.757 ( 0.000 -3.884 0.000) 3.884 11.757 ( 0.000 3.884 0.000) 3.884 11.758 ( 0.000 -4.993 0.000) 4.993 11.758 ( 0.000 4.993 0.000) 4.993 11.967 ( 0.000 -0.883 0.000) 0.883 11.967 ( 0.000 0.883 0.000) 0.883 12.091 ( 0.000 -7.949 0.000) 7.949 12.091 ( 0.000 7.949 0.000) 7.949 12.138 ( 0.000 -9.711 0.000) 9.711 12.138 ( 0.000 9.711 0.000) 9.711 12.544 ( 0.000 -14.599 0.000) 14.599 12.544 ( 0.000 14.599 0.000) 14.599 13.444 ( 0.000 -13.515 0.000) 13.515 13.444 ( 0.000 13.515 0.000) 13.515 13.783 ( 0.000 -2.763 0.000) 2.763 13.783 ( 0.000 2.763 0.000) 2.763 14.186 ( 0.000 -9.086 0.000) 9.086 14.186 ( 0.000 9.086 0.000) 9.086 14.512 ( 0.000 -0.181 0.000) 0.181 14.512 ( 0.000 0.181 0.000) 0.181 14.607 ( 0.000 -1.872 0.000) 1.872 14.607 ( 0.000 1.872 0.000) 1.872 ======================= Grid point 20 (12/30) ======================= q-point: ( 0.12 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 8.555 -10.394 0.000) 13.462 0.709 ( 8.555 10.394 0.000) 13.462 0.902 ( 5.808 -16.193 0.000) 17.203 0.902 ( 5.808 16.193 0.000) 17.203 1.154 ( 1.540 -11.261 0.000) 11.366 1.154 ( 1.540 11.261 0.000) 11.366 1.189 ( 5.013 -10.459 0.000) 11.598 1.189 ( 5.013 10.459 0.000) 11.598 1.337 ( 2.178 -10.140 0.000) 10.371 1.337 ( 2.178 10.140 0.000) 10.371 1.374 ( 10.642 -9.595 0.000) 14.329 1.374 ( 10.642 9.595 0.000) 14.329 1.432 ( 10.745 -17.517 0.000) 20.550 1.432 ( 10.745 17.517 0.000) 20.550 1.589 ( 1.699 -4.622 0.000) 4.925 1.589 ( 1.699 4.622 0.000) 4.925 1.670 ( 3.348 -7.051 0.000) 7.805 1.670 ( 3.348 7.051 0.000) 7.805 1.703 ( 2.570 -4.431 0.000) 5.122 1.703 ( 2.570 4.431 0.000) 5.122 2.011 ( -0.256 -2.876 0.000) 2.887 2.011 ( -0.256 2.876 0.000) 2.887 2.157 ( -0.520 -2.785 0.000) 2.833 2.157 ( -0.520 2.785 0.000) 2.833 2.298 ( -0.577 -3.553 0.000) 3.599 2.298 ( -0.577 3.553 0.000) 3.599 2.345 ( -5.923 -3.522 0.000) 6.891 2.345 ( -5.923 3.522 0.000) 6.891 2.387 ( -2.312 -4.190 0.000) 4.786 2.387 ( -2.312 4.190 0.000) 4.786 2.412 ( -2.850 -4.251 0.000) 5.118 2.412 ( -2.850 4.251 0.000) 5.118 2.487 ( -2.551 -5.821 0.000) 6.356 2.487 ( -2.551 5.821 0.000) 6.356 2.493 ( -3.671 -1.964 0.000) 4.163 2.493 ( -3.671 1.964 0.000) 4.163 2.538 ( -4.788 -0.968 0.000) 4.885 2.538 ( -4.788 0.968 0.000) 4.885 2.663 ( 0.788 -5.741 0.000) 5.795 2.663 ( 0.788 5.741 0.000) 5.795 2.685 ( -2.269 -3.366 0.000) 4.059 2.685 ( -2.269 3.366 0.000) 4.059 2.787 ( 3.000 -2.957 0.000) 4.213 2.787 ( 3.000 2.957 0.000) 4.213 2.788 ( -1.046 -1.755 0.000) 2.043 2.788 ( -1.046 1.755 0.000) 2.043 2.914 ( -0.160 -4.940 0.000) 4.942 2.914 ( -0.160 4.940 0.000) 4.942 3.034 ( 3.921 -3.286 0.000) 5.116 3.034 ( 3.921 3.286 0.000) 5.116 3.037 ( 1.135 -1.567 0.000) 1.935 3.037 ( 1.135 1.567 0.000) 1.935 3.091 ( -3.153 -0.990 0.000) 3.304 3.091 ( -3.153 0.990 0.000) 3.304 3.094 ( -0.749 -0.735 0.000) 1.050 3.094 ( -0.749 0.735 0.000) 1.050 3.154 ( -2.803 -4.068 0.000) 4.940 3.154 ( -2.803 4.068 0.000) 4.940 3.258 ( -2.837 -4.123 0.000) 5.005 3.258 ( -2.837 4.123 0.000) 5.005 3.265 ( 0.067 -1.406 0.000) 1.408 3.265 ( 0.067 1.406 0.000) 1.408 3.313 ( -0.098 -2.173 0.000) 2.176 3.313 ( -0.098 2.173 0.000) 2.176 3.363 ( 3.008 -7.428 0.000) 8.014 3.363 ( 3.008 7.428 0.000) 8.014 3.493 ( -2.941 -3.373 0.000) 4.475 3.493 ( -2.941 3.373 0.000) 4.475 3.591 ( 5.368 -2.917 0.000) 6.109 3.591 ( 5.368 2.917 0.000) 6.109 3.718 ( -2.495 -8.979 0.000) 9.319 3.718 ( -2.495 8.979 0.000) 9.319 3.732 ( 2.131 -2.434 0.000) 3.235 3.732 ( 2.131 2.434 0.000) 3.235 3.755 ( -1.803 -4.316 0.000) 4.677 3.755 ( -1.803 4.316 0.000) 4.677 3.853 ( -4.195 -3.687 0.000) 5.585 3.853 ( -4.195 3.687 0.000) 5.585 3.921 ( -6.186 -6.339 0.000) 8.857 3.921 ( -6.186 6.339 0.000) 8.857 4.008 ( -8.433 -7.333 0.000) 11.175 4.008 ( -8.433 7.333 0.000) 11.175 4.045 ( -1.731 -6.414 0.000) 6.644 4.045 ( -1.731 6.414 0.000) 6.644 4.109 ( 0.886 -7.625 0.000) 7.676 4.109 ( 0.886 7.625 0.000) 7.676 4.206 ( -3.437 -6.435 0.000) 7.296 4.206 ( -3.437 6.435 0.000) 7.296 4.283 ( -0.487 -1.831 0.000) 1.895 4.283 ( -0.487 1.831 0.000) 1.895 4.295 ( 0.433 -6.116 0.000) 6.131 4.295 ( 0.433 6.116 0.000) 6.131 4.416 ( 3.627 -3.856 0.000) 5.294 4.416 ( 3.627 3.856 0.000) 5.294 4.458 ( 1.225 -2.357 0.000) 2.656 4.458 ( 1.225 2.357 0.000) 2.656 4.462 ( 2.329 -5.801 0.000) 6.251 4.462 ( 2.329 5.801 0.000) 6.251 4.566 ( 3.600 -2.791 0.000) 4.555 4.566 ( 3.600 2.791 0.000) 4.555 4.635 ( -0.844 -4.710 0.000) 4.785 4.635 ( -0.844 4.710 0.000) 4.785 4.713 ( 1.062 -3.113 0.000) 3.289 4.713 ( 1.062 3.113 0.000) 3.289 4.842 ( 5.201 -5.582 0.000) 7.629 4.842 ( 5.201 5.582 0.000) 7.629 4.912 ( -0.077 -1.225 0.000) 1.227 4.912 ( -0.077 1.225 0.000) 1.227 5.057 ( -3.720 -2.706 0.000) 4.600 5.057 ( -3.720 2.706 0.000) 4.600 5.131 ( -0.577 -4.917 0.000) 4.950 5.131 ( -0.577 4.917 0.000) 4.950 5.194 ( 1.649 -1.683 0.000) 2.356 5.194 ( 1.649 1.683 0.000) 2.356 5.213 ( 2.634 -1.346 0.000) 2.958 5.213 ( 2.634 1.346 0.000) 2.958 5.478 ( -0.223 -0.905 0.000) 0.932 5.478 ( -0.223 0.905 0.000) 0.932 5.559 ( -1.185 -1.448 0.000) 1.871 5.559 ( -1.185 1.448 0.000) 1.871 5.583 ( 2.275 -3.095 0.000) 3.841 5.583 ( 2.275 3.095 0.000) 3.841 5.726 ( -1.225 -3.438 0.000) 3.650 5.726 ( -1.225 3.438 0.000) 3.650 5.771 ( 0.670 -3.688 0.000) 3.749 5.771 ( 0.670 3.688 0.000) 3.749 5.827 ( 0.772 -3.956 0.000) 4.030 5.827 ( 0.772 3.956 0.000) 4.030 6.032 ( -4.672 -6.106 0.000) 7.688 6.032 ( -4.672 6.106 0.000) 7.688 6.056 ( -3.341 -2.512 0.000) 4.180 6.056 ( -3.341 2.512 0.000) 4.180 6.082 ( -1.562 -1.794 0.000) 2.379 6.082 ( -1.562 1.794 0.000) 2.379 6.221 ( -9.974 -8.661 0.000) 13.209 6.221 ( -9.974 8.661 0.000) 13.209 6.659 ( 0.810 -4.026 0.000) 4.106 6.659 ( 0.810 4.026 0.000) 4.106 6.749 ( 7.452 -4.100 0.000) 8.506 6.749 ( 7.452 4.100 0.000) 8.506 6.797 ( 0.769 -2.741 0.000) 2.847 6.797 ( 0.769 2.741 0.000) 2.847 6.826 ( 3.809 -1.267 0.000) 4.014 6.826 ( 3.809 1.267 0.000) 4.014 7.328 ( 3.875 -1.898 0.000) 4.315 7.328 ( 3.875 1.898 0.000) 4.315 7.684 ( -0.727 -6.130 0.000) 6.173 7.684 ( -0.727 6.130 0.000) 6.173 7.802 ( -0.545 -4.217 0.000) 4.252 7.802 ( -0.545 4.217 0.000) 4.252 7.981 ( -0.149 -4.830 0.000) 4.833 7.981 ( -0.149 4.830 0.000) 4.833 8.100 ( 2.800 -5.307 0.000) 6.001 8.100 ( 2.800 5.307 0.000) 6.001 8.236 ( 6.979 -6.217 0.000) 9.346 8.236 ( 6.979 6.217 0.000) 9.346 8.411 ( 2.648 -6.261 0.000) 6.798 8.411 ( 2.648 6.261 0.000) 6.798 8.544 ( 2.112 -8.624 0.000) 8.879 8.544 ( 2.112 8.624 0.000) 8.879 9.155 ( -3.002 -2.338 0.000) 3.805 9.155 ( -3.002 2.338 0.000) 3.805 9.335 ( -4.084 -1.039 0.000) 4.214 9.335 ( -4.084 1.039 0.000) 4.214 9.534 ( -4.311 -1.266 0.000) 4.493 9.534 ( -4.311 1.266 0.000) 4.493 9.664 ( -8.515 -8.599 0.000) 12.102 9.664 ( -8.515 8.599 0.000) 12.102 11.699 ( -0.438 -1.305 0.000) 1.377 11.699 ( -0.438 1.305 0.000) 1.377 11.788 ( 3.868 -5.667 0.000) 6.861 11.788 ( 3.868 5.667 0.000) 6.861 11.795 ( 3.577 -4.078 0.000) 5.424 11.795 ( 3.577 4.078 0.000) 5.424 12.009 ( 1.946 -3.395 0.000) 3.913 12.009 ( 1.946 3.395 0.000) 3.913 12.177 ( 6.965 -9.179 0.000) 11.522 12.177 ( 6.965 9.179 0.000) 11.522 12.198 ( 6.881 -9.615 0.000) 11.824 12.198 ( 6.881 9.615 0.000) 11.824 12.620 ( 8.165 -10.248 0.000) 13.103 12.620 ( 8.165 10.248 0.000) 13.103 13.391 ( -4.724 -15.018 0.000) 15.743 13.391 ( -4.724 15.018 0.000) 15.743 13.807 ( 2.349 -2.819 0.000) 3.669 13.807 ( 2.349 2.819 0.000) 3.669 14.168 ( -1.852 -8.417 0.000) 8.618 14.168 ( -1.852 8.417 0.000) 8.618 14.451 ( -5.839 -2.038 0.000) 6.185 14.451 ( -5.839 2.038 0.000) 6.185 14.545 ( -6.129 -1.959 0.000) 6.435 14.545 ( -6.129 1.959 0.000) 6.435 ======================= Grid point 22 (13/30) ======================= q-point: ( 0.25 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 12.544 -7.979 0.000) 14.866 0.916 ( 12.544 7.979 0.000) 14.866 1.054 ( 9.773 -11.496 0.000) 15.089 1.054 ( 9.773 11.496 0.000) 15.089 1.224 ( 5.509 -7.899 0.000) 9.630 1.224 ( 5.509 7.899 0.000) 9.630 1.313 ( 7.415 -8.105 0.000) 10.985 1.313 ( 7.415 8.105 0.000) 10.985 1.385 ( 3.373 -6.569 0.000) 7.384 1.385 ( 3.373 6.569 0.000) 7.384 1.542 ( 3.969 -2.494 0.000) 4.687 1.542 ( 3.969 2.494 0.000) 4.687 1.660 ( 6.750 -4.984 0.000) 8.390 1.660 ( 6.750 4.984 0.000) 8.390 1.665 ( 8.922 -8.326 0.000) 12.203 1.665 ( 8.922 8.326 0.000) 12.203 1.743 ( 5.692 -6.170 0.000) 8.394 1.743 ( 5.692 6.170 0.000) 8.394 1.766 ( 3.830 -3.692 0.000) 5.320 1.766 ( 3.830 3.692 0.000) 5.320 2.008 ( -0.122 -3.117 0.000) 3.119 2.008 ( -0.122 3.117 0.000) 3.119 2.144 ( -1.153 -4.627 0.000) 4.769 2.144 ( -1.153 4.627 0.000) 4.769 2.217 ( -6.630 -2.850 0.000) 7.217 2.217 ( -6.630 2.850 0.000) 7.217 2.259 ( -3.270 -2.408 0.000) 4.061 2.259 ( -3.270 2.408 0.000) 4.061 2.316 ( -4.495 -4.184 0.000) 6.141 2.316 ( -4.495 4.184 0.000) 6.141 2.350 ( -3.812 -3.997 0.000) 5.524 2.350 ( -3.812 3.997 0.000) 5.524 2.423 ( -3.130 -1.735 0.000) 3.579 2.423 ( -3.130 1.735 0.000) 3.579 2.431 ( -3.141 -4.830 0.000) 5.762 2.431 ( -3.141 4.830 0.000) 5.762 2.478 ( -2.221 -1.900 0.000) 2.923 2.478 ( -2.221 1.900 0.000) 2.923 2.610 ( -3.453 -3.180 0.000) 4.694 2.610 ( -3.453 3.180 0.000) 4.694 2.666 ( -0.274 -5.671 0.000) 5.677 2.666 ( -0.274 5.671 0.000) 5.677 2.764 ( -2.312 -2.663 0.000) 3.527 2.764 ( -2.312 2.663 0.000) 3.527 2.853 ( 1.866 -1.883 0.000) 2.651 2.853 ( 1.866 1.883 0.000) 2.651 2.900 ( -1.959 -5.952 0.000) 6.266 2.900 ( -1.959 5.952 0.000) 6.266 2.966 ( -2.191 -3.032 0.000) 3.741 2.966 ( -2.191 3.032 0.000) 3.741 2.971 ( -7.194 -7.851 0.000) 10.648 2.971 ( -7.194 7.851 0.000) 10.648 3.113 ( -1.281 -3.666 0.000) 3.883 3.113 ( -1.281 3.666 0.000) 3.883 3.121 ( -2.490 -3.781 0.000) 4.527 3.121 ( -2.490 3.781 0.000) 4.527 3.146 ( 4.490 -1.062 0.000) 4.614 3.146 ( 4.490 1.062 0.000) 4.614 3.210 ( 0.105 -3.001 0.000) 3.003 3.210 ( 0.105 3.001 0.000) 3.003 3.265 ( 0.565 -1.933 0.000) 2.013 3.265 ( 0.565 1.933 0.000) 2.013 3.317 ( 0.829 -1.724 0.000) 1.913 3.317 ( 0.829 1.724 0.000) 1.913 3.401 ( -4.901 -1.774 0.000) 5.212 3.401 ( -4.901 1.774 0.000) 5.212 3.449 ( 3.204 -5.176 0.000) 6.088 3.449 ( 3.204 5.176 0.000) 6.088 3.644 ( -2.801 -4.636 0.000) 5.417 3.644 ( -2.801 4.636 0.000) 5.417 3.678 ( 0.253 -6.698 0.000) 6.703 3.678 ( 0.253 6.698 0.000) 6.703 3.721 ( -2.021 -3.453 0.000) 4.001 3.721 ( -2.021 3.453 0.000) 4.001 3.723 ( -1.974 -2.953 0.000) 3.552 3.723 ( -1.974 2.953 0.000) 3.552 3.796 ( -1.584 -0.600 0.000) 1.694 3.796 ( -1.584 0.600 0.000) 1.694 3.862 ( 1.936 -4.930 0.000) 5.296 3.862 ( 1.936 4.930 0.000) 5.296 3.899 ( -1.409 -7.136 0.000) 7.274 3.899 ( -1.409 7.136 0.000) 7.274 3.975 ( -3.935 -1.821 0.000) 4.336 3.975 ( -3.935 1.821 0.000) 4.336 4.112 ( -4.588 -5.587 0.000) 7.230 4.112 ( -4.588 5.587 0.000) 7.230 4.115 ( -0.874 -7.173 0.000) 7.226 4.115 ( -0.874 7.173 0.000) 7.226 4.330 ( 3.974 -1.328 0.000) 4.190 4.330 ( 3.974 1.328 0.000) 4.190 4.341 ( 3.737 -4.584 0.000) 5.914 4.341 ( 3.737 4.584 0.000) 5.914 4.463 ( 1.624 -3.786 0.000) 4.119 4.463 ( 1.624 3.786 0.000) 4.119 4.465 ( -0.684 -5.424 0.000) 5.467 4.465 ( -0.684 5.424 0.000) 5.467 4.513 ( 1.186 -1.286 0.000) 1.750 4.513 ( 1.186 1.286 0.000) 1.750 4.590 ( -0.560 -4.049 0.000) 4.088 4.590 ( -0.560 4.049 0.000) 4.088 4.670 ( 4.052 -4.981 0.000) 6.421 4.670 ( 4.052 4.981 0.000) 6.421 4.726 ( 0.348 -6.105 0.000) 6.115 4.726 ( 0.348 6.105 0.000) 6.115 4.868 ( -3.316 -2.013 0.000) 3.879 4.868 ( -3.316 2.013 0.000) 3.879 4.919 ( -3.117 -2.554 0.000) 4.030 4.919 ( -3.117 2.554 0.000) 4.030 4.978 ( 1.062 -2.187 0.000) 2.431 4.978 ( 1.062 2.187 0.000) 2.431 5.118 ( -0.778 -5.451 0.000) 5.507 5.118 ( -0.778 5.451 0.000) 5.507 5.253 ( 3.849 -3.526 0.000) 5.220 5.253 ( 3.849 3.526 0.000) 5.220 5.290 ( 5.097 -2.959 0.000) 5.894 5.290 ( 5.097 2.959 0.000) 5.894 5.465 ( -0.821 -0.791 0.000) 1.140 5.465 ( -0.821 0.791 0.000) 1.140 5.534 ( -1.286 -2.652 0.000) 2.947 5.534 ( -1.286 2.652 0.000) 2.947 5.624 ( 1.762 -1.697 0.000) 2.446 5.624 ( 1.762 1.697 0.000) 2.446 5.716 ( 0.191 -3.480 0.000) 3.485 5.716 ( 0.191 3.480 0.000) 3.485 5.773 ( -0.715 -1.862 0.000) 1.994 5.773 ( -0.715 1.862 0.000) 1.994 5.850 ( 0.178 -2.725 0.000) 2.730 5.850 ( 0.178 2.725 0.000) 2.730 5.907 ( -6.980 -2.032 0.000) 7.270 5.907 ( -6.980 2.032 0.000) 7.270 5.975 ( -4.467 -3.313 0.000) 5.562 5.975 ( -4.467 3.313 0.000) 5.562 6.036 ( -3.106 -2.206 0.000) 3.810 6.036 ( -3.106 2.206 0.000) 3.810 6.043 ( -7.786 -5.507 0.000) 9.537 6.043 ( -7.786 5.507 0.000) 9.537 6.703 ( 3.688 -1.656 0.000) 4.043 6.703 ( 3.688 1.656 0.000) 4.043 6.807 ( 1.214 -0.507 0.000) 1.316 6.807 ( 1.214 0.507 0.000) 1.316 6.839 ( 3.710 -2.194 0.000) 4.310 6.839 ( 3.710 2.194 0.000) 4.310 6.962 ( 7.035 -6.360 0.000) 9.484 6.962 ( 7.035 6.360 0.000) 9.484 7.411 ( 4.506 -2.052 0.000) 4.951 7.411 ( 4.506 2.052 0.000) 4.951 7.664 ( -1.738 -8.510 0.000) 8.686 7.664 ( -1.738 8.510 0.000) 8.686 7.789 ( -0.134 -2.185 0.000) 2.189 7.789 ( -0.134 2.185 0.000) 2.189 7.924 ( -4.279 -4.846 0.000) 6.465 7.924 ( -4.279 4.846 0.000) 6.465 8.219 ( 7.775 -5.599 0.000) 9.581 8.219 ( 7.775 5.599 0.000) 9.581 8.375 ( 5.328 -7.037 0.000) 8.827 8.375 ( 5.328 7.037 0.000) 8.827 8.478 ( 4.914 -3.206 0.000) 5.867 8.478 ( 4.914 3.206 0.000) 5.867 8.582 ( 1.506 -8.514 0.000) 8.646 8.582 ( 1.506 8.514 0.000) 8.646 9.098 ( -2.357 -1.048 0.000) 2.579 9.098 ( -2.357 1.048 0.000) 2.579 9.231 ( -6.240 -0.423 0.000) 6.254 9.231 ( -6.240 0.423 0.000) 6.254 9.428 ( -6.332 -1.441 0.000) 6.494 9.428 ( -6.332 1.441 0.000) 6.494 9.482 ( -9.669 -3.690 0.000) 10.349 9.482 ( -9.669 3.690 0.000) 10.349 11.707 ( 1.453 -0.746 0.000) 1.633 11.707 ( 1.453 0.746 0.000) 1.633 11.855 ( 1.717 -2.692 0.000) 3.193 11.855 ( 1.717 2.692 0.000) 3.193 11.875 ( 4.246 -4.847 0.000) 6.443 11.875 ( 4.246 4.847 0.000) 6.443 12.021 ( -0.015 -7.130 0.000) 7.130 12.021 ( -0.015 7.130 0.000) 7.130 12.315 ( 7.657 -8.024 0.000) 11.091 12.315 ( 7.657 8.024 0.000) 11.091 12.358 ( 8.559 -10.480 0.000) 13.531 12.358 ( 8.559 10.480 0.000) 13.531 12.829 ( 12.423 -4.683 0.000) 13.276 12.829 ( 12.423 4.683 0.000) 13.276 13.304 ( -3.694 -16.311 0.000) 16.724 13.304 ( -3.694 16.311 0.000) 16.724 13.867 ( 3.895 -2.990 0.000) 4.910 13.867 ( 3.895 2.990 0.000) 4.910 14.122 ( -2.779 -6.733 0.000) 7.284 14.122 ( -2.779 6.733 0.000) 7.284 14.315 ( -7.824 -3.689 0.000) 8.651 14.315 ( -7.824 3.689 0.000) 8.651 14.396 ( -9.012 -2.338 0.000) 9.310 14.396 ( -9.012 2.338 0.000) 9.310 ======================= Grid point 24 (14/30) ======================= q-point: ( 0.38 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 13.201 -5.517 0.000) 14.307 1.165 ( 13.201 5.517 0.000) 14.307 1.251 ( 10.285 -7.009 0.000) 12.446 1.251 ( 10.285 7.009 0.000) 12.446 1.341 ( 6.081 -4.853 0.000) 7.780 1.341 ( 6.081 4.853 0.000) 7.780 1.441 ( 4.298 -5.800 0.000) 7.219 1.441 ( 4.298 5.800 0.000) 7.219 1.462 ( 4.712 -6.270 0.000) 7.843 1.462 ( 4.712 6.270 0.000) 7.843 1.553 ( -1.583 -0.368 0.000) 1.626 1.553 ( -1.583 0.368 0.000) 1.626 1.656 ( -5.049 -1.460 0.000) 5.256 1.656 ( -5.049 1.460 0.000) 5.256 1.725 ( -1.490 -4.320 0.000) 4.570 1.725 ( -1.490 4.320 0.000) 4.570 1.871 ( 6.570 -4.396 0.000) 7.905 1.871 ( 6.570 4.396 0.000) 7.905 1.916 ( 7.430 -5.193 0.000) 9.065 1.916 ( 7.430 5.193 0.000) 9.065 2.003 ( -0.428 -3.101 0.000) 3.131 2.003 ( -0.428 3.101 0.000) 3.131 2.098 ( -3.052 -3.881 0.000) 4.937 2.098 ( -3.052 3.881 0.000) 4.937 2.125 ( -3.649 -4.713 0.000) 5.960 2.125 ( -3.649 4.713 0.000) 5.960 2.199 ( -2.912 -1.998 0.000) 3.531 2.199 ( -2.912 1.998 0.000) 3.531 2.241 ( -2.394 -3.892 0.000) 4.569 2.241 ( -2.394 3.892 0.000) 4.569 2.266 ( -4.003 -4.141 0.000) 5.759 2.266 ( -4.003 4.141 0.000) 5.759 2.379 ( -1.342 -2.898 0.000) 3.194 2.379 ( -1.342 2.898 0.000) 3.194 2.386 ( -1.528 -3.033 0.000) 3.397 2.386 ( -1.528 3.033 0.000) 3.397 2.452 ( 0.267 -1.237 0.000) 1.266 2.452 ( 0.267 1.237 0.000) 1.266 2.602 ( 2.573 -2.062 0.000) 3.297 2.602 ( 2.573 2.062 0.000) 3.297 2.635 ( -4.805 -4.822 0.000) 6.807 2.635 ( -4.805 4.822 0.000) 6.807 2.695 ( -2.892 -0.631 0.000) 2.961 2.695 ( -2.892 0.631 0.000) 2.961 2.767 ( -6.504 -3.978 0.000) 7.624 2.767 ( -6.504 3.978 0.000) 7.624 2.830 ( -5.128 -1.541 0.000) 5.354 2.830 ( -5.128 1.541 0.000) 5.354 2.953 ( 1.200 -1.349 0.000) 1.805 2.953 ( 1.200 1.349 0.000) 1.805 2.961 ( -5.016 -0.305 0.000) 5.025 2.961 ( -5.016 0.305 0.000) 5.025 3.022 ( 2.394 -2.048 0.000) 3.151 3.022 ( 2.394 2.048 0.000) 3.151 3.072 ( -1.337 -3.379 0.000) 3.634 3.072 ( -1.337 3.379 0.000) 3.634 3.215 ( 1.427 -1.265 0.000) 1.907 3.215 ( 1.427 1.265 0.000) 1.907 3.234 ( 0.190 -1.618 0.000) 1.630 3.234 ( 0.190 1.618 0.000) 1.630 3.287 ( 0.688 -3.078 0.000) 3.154 3.287 ( 0.688 3.078 0.000) 3.154 3.292 ( -3.510 -2.011 0.000) 4.046 3.292 ( -3.510 2.011 0.000) 4.046 3.404 ( 4.443 -1.381 0.000) 4.653 3.404 ( 4.443 1.381 0.000) 4.653 3.450 ( -0.828 -2.854 0.000) 2.972 3.450 ( -0.828 2.854 0.000) 2.972 3.578 ( -1.403 -2.607 0.000) 2.961 3.578 ( -1.403 2.607 0.000) 2.961 3.679 ( -2.049 -1.536 0.000) 2.560 3.679 ( -2.049 1.536 0.000) 2.560 3.711 ( 1.095 -4.108 0.000) 4.251 3.711 ( 1.095 4.108 0.000) 4.251 3.732 ( 3.011 -3.272 0.000) 4.446 3.732 ( 3.011 3.272 0.000) 4.446 3.821 ( 3.107 -2.761 0.000) 4.156 3.821 ( 3.107 2.761 0.000) 4.156 3.830 ( -3.637 -2.001 0.000) 4.151 3.830 ( -3.637 2.001 0.000) 4.151 3.915 ( -2.407 -2.407 0.000) 3.404 3.915 ( -2.407 2.407 0.000) 3.404 3.966 ( 0.867 -0.287 0.000) 0.914 3.966 ( 0.867 0.287 0.000) 0.914 4.084 ( 4.631 -8.406 0.000) 9.597 4.084 ( 4.631 8.406 0.000) 9.597 4.109 ( 2.256 -5.116 0.000) 5.592 4.109 ( 2.256 5.116 0.000) 5.592 4.396 ( -0.510 -2.355 0.000) 2.409 4.396 ( -0.510 2.355 0.000) 2.409 4.397 ( -0.383 -7.824 0.000) 7.834 4.397 ( -0.383 7.824 0.000) 7.834 4.420 ( -2.732 -4.445 0.000) 5.217 4.420 ( -2.732 4.445 0.000) 5.217 4.444 ( -2.229 -4.120 0.000) 4.684 4.444 ( -2.229 4.120 0.000) 4.684 4.506 ( -0.119 -3.264 0.000) 3.266 4.506 ( -0.119 3.264 0.000) 3.266 4.584 ( -0.012 -2.466 0.000) 2.466 4.584 ( -0.012 2.466 0.000) 2.466 4.713 ( -0.809 -5.027 0.000) 5.091 4.713 ( -0.809 5.027 0.000) 5.091 4.747 ( 1.814 -3.320 0.000) 3.783 4.747 ( 1.814 3.320 0.000) 3.783 4.807 ( -3.002 -3.578 0.000) 4.671 4.807 ( -3.002 3.578 0.000) 4.671 4.860 ( 1.659 -1.847 0.000) 2.482 4.860 ( 1.659 1.847 0.000) 2.482 5.036 ( 2.415 -2.754 0.000) 3.663 5.036 ( 2.415 2.754 0.000) 3.663 5.093 ( -1.630 -5.296 0.000) 5.541 5.093 ( -1.630 5.296 0.000) 5.541 5.317 ( 2.578 -4.785 0.000) 5.435 5.317 ( 2.578 4.785 0.000) 5.435 5.386 ( 4.007 -0.748 0.000) 4.076 5.386 ( 4.007 0.748 0.000) 4.076 5.449 ( -0.891 -2.819 0.000) 2.956 5.449 ( -0.891 2.819 0.000) 2.956 5.509 ( -1.165 -4.579 0.000) 4.725 5.509 ( -1.165 4.579 0.000) 4.725 5.655 ( 1.471 -2.425 0.000) 2.837 5.655 ( 1.471 2.425 0.000) 2.837 5.702 ( -3.079 -2.809 0.000) 4.168 5.702 ( -3.079 2.809 0.000) 4.168 5.741 ( -2.266 -2.003 0.000) 3.024 5.741 ( -2.266 2.003 0.000) 3.024 5.761 ( -2.973 -3.272 0.000) 4.421 5.761 ( -2.973 3.272 0.000) 4.421 5.877 ( -1.039 -1.636 0.000) 1.938 5.877 ( -1.039 1.636 0.000) 1.938 5.905 ( -2.815 -2.708 0.000) 3.906 5.905 ( -2.815 2.708 0.000) 3.906 5.949 ( -1.566 -5.489 0.000) 5.708 5.949 ( -1.566 5.489 0.000) 5.708 5.981 ( -2.231 -3.219 0.000) 3.917 5.981 ( -2.231 3.219 0.000) 3.917 6.778 ( 3.545 -3.345 0.000) 4.874 6.778 ( 3.545 3.345 0.000) 4.874 6.824 ( 0.545 -2.437 0.000) 2.497 6.824 ( 0.545 2.437 0.000) 2.497 6.927 ( 5.158 -5.527 0.000) 7.560 6.927 ( 5.158 5.527 0.000) 7.560 7.044 ( 1.290 -6.322 0.000) 6.452 7.044 ( 1.290 6.322 0.000) 6.452 7.494 ( 4.234 -3.023 0.000) 5.202 7.494 ( 4.234 3.023 0.000) 5.202 7.625 ( -2.257 -7.336 0.000) 7.675 7.625 ( -2.257 7.336 0.000) 7.675 7.792 ( 0.250 -1.996 0.000) 2.011 7.792 ( 0.250 1.996 0.000) 2.011 7.850 ( -3.223 -4.939 0.000) 5.898 7.850 ( -3.223 4.939 0.000) 5.898 8.351 ( 5.543 -5.141 0.000) 7.560 8.351 ( 5.543 5.141 0.000) 7.560 8.421 ( 0.708 -5.719 0.000) 5.763 8.421 ( 0.708 5.719 0.000) 5.763 8.571 ( 3.400 -6.904 0.000) 7.696 8.571 ( 3.400 6.904 0.000) 7.696 8.596 ( 0.156 -7.404 0.000) 7.405 8.596 ( 0.156 7.404 0.000) 7.405 9.078 ( 0.188 -1.132 0.000) 1.147 9.078 ( 0.188 1.132 0.000) 1.147 9.134 ( -3.300 -1.839 0.000) 3.778 9.134 ( -3.300 1.839 0.000) 3.778 9.315 ( -5.023 -1.163 0.000) 5.156 9.315 ( -5.023 1.163 0.000) 5.156 9.324 ( -6.434 -1.096 0.000) 6.526 9.324 ( -6.434 1.096 0.000) 6.526 11.749 ( 2.796 -1.029 0.000) 2.979 11.749 ( 2.796 1.029 0.000) 2.979 11.850 ( -1.750 -1.661 0.000) 2.413 11.850 ( -1.750 1.661 0.000) 2.413 11.934 ( 2.169 -2.508 0.000) 3.316 11.934 ( 2.169 2.508 0.000) 3.316 12.009 ( -1.444 -7.251 0.000) 7.393 12.009 ( -1.444 7.251 0.000) 7.393 12.461 ( 6.994 -2.796 0.000) 7.532 12.461 ( 6.994 2.796 0.000) 7.532 12.496 ( 5.515 -8.335 0.000) 9.994 12.496 ( 5.515 8.335 0.000) 9.994 13.046 ( 9.769 -1.999 0.000) 9.971 13.046 ( 9.769 1.999 0.000) 9.971 13.251 ( -2.440 -13.030 0.000) 13.256 13.251 ( -2.440 13.030 0.000) 13.256 13.951 ( 4.986 -3.107 0.000) 5.875 13.951 ( 4.986 3.107 0.000) 5.875 14.078 ( -1.260 -4.974 0.000) 5.131 14.078 ( -1.260 4.974 0.000) 5.131 14.172 ( -6.890 -3.894 0.000) 7.914 14.172 ( -6.890 3.894 0.000) 7.914 14.224 ( -8.549 -2.727 0.000) 8.973 14.224 ( -8.549 2.727 0.000) 8.973 ======================= Grid point 26 (15/30) ======================= q-point: (-0.50 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -3.533 -2.101 0.000) 4.111 1.377 ( 3.533 -2.101 0.000) 4.111 1.377 ( -3.533 2.101 0.000) 4.111 1.377 ( 3.533 2.101 0.000) 4.111 1.421 ( -4.015 -3.874 0.000) 5.579 1.421 ( 4.015 -3.874 0.000) 5.579 1.421 ( -4.015 3.874 0.000) 5.579 1.421 ( 4.015 3.874 0.000) 5.579 1.502 ( -2.048 -1.970 0.000) 2.842 1.502 ( 2.048 -1.970 0.000) 2.842 1.502 ( -2.048 1.970 0.000) 2.842 1.502 ( 2.048 1.970 0.000) 2.842 1.647 ( -4.959 -3.978 0.000) 6.357 1.647 ( 4.959 -3.978 0.000) 6.357 1.647 ( -4.959 3.978 0.000) 6.357 1.647 ( 4.959 3.978 0.000) 6.357 1.970 ( -1.956 -5.385 0.000) 5.729 1.970 ( 1.956 -5.385 0.000) 5.729 1.970 ( -1.956 5.385 0.000) 5.729 1.970 ( 1.956 5.385 0.000) 5.729 2.008 ( -3.202 -0.385 0.000) 3.225 2.008 ( -3.202 0.385 0.000) 3.225 2.008 ( 3.202 -0.385 0.000) 3.225 2.008 ( 3.202 0.385 0.000) 3.225 2.137 ( -3.326 -2.455 0.000) 4.134 2.137 ( 3.326 -2.455 0.000) 4.134 2.137 ( -3.326 2.455 0.000) 4.134 2.137 ( 3.326 2.455 0.000) 4.134 2.228 ( -0.384 -3.006 0.000) 3.030 2.228 ( 0.384 -3.006 0.000) 3.030 2.228 ( -0.384 3.006 0.000) 3.030 2.228 ( 0.384 3.006 0.000) 3.030 2.370 ( -0.245 -1.822 0.000) 1.839 2.370 ( 0.245 -1.822 0.000) 1.839 2.370 ( -0.245 1.822 0.000) 1.839 2.370 ( 0.245 1.822 0.000) 1.839 2.511 ( -5.870 -3.534 0.000) 6.852 2.511 ( 5.870 -3.534 0.000) 6.852 2.511 ( -5.870 3.534 0.000) 6.852 2.511 ( 5.870 3.534 0.000) 6.852 2.685 ( -0.466 -4.637 0.000) 4.661 2.685 ( 0.466 -4.637 0.000) 4.661 2.685 ( -0.466 4.637 0.000) 4.661 2.685 ( 0.466 4.637 0.000) 4.661 2.697 ( -4.696 -4.504 0.000) 6.507 2.697 ( 4.696 -4.504 0.000) 6.507 2.697 ( -4.696 4.504 0.000) 6.507 2.697 ( 4.696 4.504 0.000) 6.507 2.942 ( -1.521 -2.667 0.000) 3.070 2.942 ( 1.521 -2.667 0.000) 3.070 2.942 ( -1.521 2.667 0.000) 3.070 2.942 ( 1.521 2.667 0.000) 3.070 3.070 ( -0.489 -3.507 0.000) 3.541 3.070 ( 0.489 -3.507 0.000) 3.541 3.070 ( -0.489 3.507 0.000) 3.541 3.070 ( 0.489 3.507 0.000) 3.541 3.221 ( -0.253 -3.228 0.000) 3.238 3.221 ( 0.253 -3.228 0.000) 3.238 3.221 ( -0.253 3.228 0.000) 3.238 3.221 ( 0.253 3.228 0.000) 3.238 3.268 ( -1.012 -4.367 0.000) 4.483 3.268 ( 1.012 -4.367 0.000) 4.483 3.268 ( -1.012 4.367 0.000) 4.483 3.268 ( 1.012 4.367 0.000) 4.483 3.454 ( -0.155 -0.756 0.000) 0.772 3.454 ( 0.155 -0.756 0.000) 0.772 3.454 ( -0.155 0.756 0.000) 0.772 3.454 ( 0.155 0.756 0.000) 0.772 3.614 ( -4.301 -2.420 0.000) 4.935 3.614 ( 4.301 -2.420 0.000) 4.935 3.614 ( -4.301 2.420 0.000) 4.935 3.614 ( 4.301 2.420 0.000) 4.935 3.752 ( -3.687 -3.710 0.000) 5.231 3.752 ( 3.687 -3.710 0.000) 5.231 3.752 ( -3.687 3.710 0.000) 5.231 3.752 ( 3.687 3.710 0.000) 5.231 3.817 ( -4.451 -1.046 0.000) 4.572 3.817 ( -4.451 1.046 0.000) 4.572 3.817 ( 4.451 -1.046 0.000) 4.572 3.817 ( 4.451 1.046 0.000) 4.572 3.914 ( -3.462 -7.059 0.000) 7.862 3.914 ( 3.462 -7.059 0.000) 7.862 3.914 ( -3.462 7.059 0.000) 7.862 3.914 ( 3.462 7.059 0.000) 7.862 4.215 ( -1.553 -2.453 0.000) 2.903 4.215 ( 1.553 -2.453 0.000) 2.903 4.215 ( -1.553 2.453 0.000) 2.903 4.215 ( 1.553 2.453 0.000) 2.903 4.281 ( -1.547 -4.686 0.000) 4.935 4.281 ( 1.547 -4.686 0.000) 4.935 4.281 ( -1.547 4.686 0.000) 4.935 4.281 ( 1.547 4.686 0.000) 4.935 4.437 ( -1.149 -4.134 0.000) 4.291 4.437 ( 1.149 -4.134 0.000) 4.291 4.437 ( -1.149 4.134 0.000) 4.291 4.437 ( 1.149 4.134 0.000) 4.291 4.554 ( -3.640 -2.482 0.000) 4.406 4.554 ( 3.640 -2.482 0.000) 4.406 4.554 ( -3.640 2.482 0.000) 4.406 4.554 ( 3.640 2.482 0.000) 4.406 4.712 ( -0.881 -4.691 0.000) 4.773 4.712 ( 0.881 -4.691 0.000) 4.773 4.712 ( -0.881 4.691 0.000) 4.773 4.712 ( 0.881 4.691 0.000) 4.773 4.856 ( -2.786 -3.109 0.000) 4.174 4.856 ( 2.786 -3.109 0.000) 4.174 4.856 ( -2.786 3.109 0.000) 4.174 4.856 ( 2.786 3.109 0.000) 4.174 5.067 ( -1.155 -1.765 0.000) 2.109 5.067 ( 1.155 -1.765 0.000) 2.109 5.067 ( -1.155 1.765 0.000) 2.109 5.067 ( 1.155 1.765 0.000) 2.109 5.369 ( -3.409 -3.846 0.000) 5.139 5.369 ( 3.409 -3.846 0.000) 5.139 5.369 ( -3.409 3.846 0.000) 5.139 5.369 ( 3.409 3.846 0.000) 5.139 5.481 ( -2.399 -5.573 0.000) 6.067 5.481 ( 2.399 -5.573 0.000) 6.067 5.481 ( -2.399 5.573 0.000) 6.067 5.481 ( 2.399 5.573 0.000) 6.067 5.666 ( -0.031 -3.127 0.000) 3.128 5.666 ( 0.031 -3.127 0.000) 3.128 5.666 ( -0.031 3.127 0.000) 3.128 5.666 ( 0.031 3.127 0.000) 3.128 5.728 ( -1.319 -2.578 0.000) 2.896 5.728 ( 1.319 -2.578 0.000) 2.896 5.728 ( -1.319 2.578 0.000) 2.896 5.728 ( 1.319 2.578 0.000) 2.896 5.867 ( -0.918 -1.414 0.000) 1.686 5.867 ( 0.918 -1.414 0.000) 1.686 5.867 ( -0.918 1.414 0.000) 1.686 5.867 ( 0.918 1.414 0.000) 1.686 5.953 ( -0.972 -4.159 0.000) 4.271 5.953 ( 0.972 -4.159 0.000) 4.271 5.953 ( -0.972 4.159 0.000) 4.271 5.953 ( 0.972 4.159 0.000) 4.271 6.822 ( -1.010 -3.711 0.000) 3.846 6.822 ( 1.010 -3.711 0.000) 3.846 6.822 ( -1.010 3.711 0.000) 3.846 6.822 ( 1.010 3.711 0.000) 3.846 7.017 ( -3.678 -6.185 0.000) 7.195 7.017 ( 3.678 -6.185 0.000) 7.195 7.017 ( -3.678 6.185 0.000) 7.195 7.017 ( 3.678 6.185 0.000) 7.195 7.570 ( -3.620 -5.156 0.000) 6.300 7.570 ( 3.620 -5.156 0.000) 6.300 7.570 ( -3.620 5.156 0.000) 6.300 7.570 ( 3.620 5.156 0.000) 6.300 7.806 ( -1.447 -4.165 0.000) 4.410 7.806 ( 1.447 -4.165 0.000) 4.410 7.806 ( -1.447 4.165 0.000) 4.410 7.806 ( 1.447 4.165 0.000) 4.410 8.417 ( -1.437 -4.550 0.000) 4.772 8.417 ( 1.437 -4.550 0.000) 4.772 8.417 ( -1.437 4.550 0.000) 4.772 8.417 ( 1.437 4.550 0.000) 4.772 8.597 ( -0.035 -7.137 0.000) 7.137 8.597 ( 0.035 -7.137 0.000) 7.137 8.597 ( -0.035 7.137 0.000) 7.137 8.597 ( 0.035 7.137 0.000) 7.137 9.096 ( -1.394 -0.920 0.000) 1.670 9.096 ( 1.394 -0.920 0.000) 1.670 9.096 ( -1.394 0.920 0.000) 1.670 9.096 ( 1.394 0.920 0.000) 1.670 9.260 ( -0.081 -0.306 0.000) 0.317 9.260 ( 0.081 -0.306 0.000) 0.317 9.260 ( -0.081 0.306 0.000) 0.317 9.260 ( 0.081 0.306 0.000) 0.317 11.805 ( -2.833 -1.475 0.000) 3.194 11.805 ( 2.833 -1.475 0.000) 3.194 11.805 ( -2.833 1.475 0.000) 3.194 11.805 ( 2.833 1.475 0.000) 3.194 11.972 ( -2.101 -3.366 0.000) 3.968 11.972 ( 2.101 -3.366 0.000) 3.968 11.972 ( -2.101 3.366 0.000) 3.968 11.972 ( 2.101 3.366 0.000) 3.968 12.544 ( -1.009 -4.078 0.000) 4.201 12.544 ( 1.009 -4.078 0.000) 4.201 12.544 ( -1.009 4.078 0.000) 4.201 12.544 ( 1.009 4.078 0.000) 4.201 13.186 ( -5.009 -5.987 0.000) 7.806 13.186 ( 5.009 -5.987 0.000) 7.806 13.186 ( -5.009 5.987 0.000) 7.806 13.186 ( 5.009 5.987 0.000) 7.806 14.056 ( -5.851 -1.644 0.000) 6.077 14.056 ( -5.851 1.644 0.000) 6.077 14.056 ( 5.851 -1.644 0.000) 6.077 14.056 ( 5.851 1.644 0.000) 6.077 14.097 ( -3.866 -2.815 0.000) 4.782 14.097 ( 3.866 -2.815 0.000) 4.782 14.097 ( -3.866 2.815 0.000) 4.782 14.097 ( 3.866 2.815 0.000) 4.782 ======================= Grid point 45 (16/30) ======================= q-point: ( 0.00 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( 0.000 0.000 15.703) 15.703 0.315 ( 0.000 0.000 17.180) 17.180 0.528 ( 0.000 0.000 2.955) 2.955 0.597 ( 0.000 0.000 -13.830) 13.830 0.624 ( 0.000 0.000 11.380) 11.380 1.075 ( 0.000 0.000 -22.250) 22.250 1.146 ( 0.000 0.000 15.687) 15.687 1.173 ( 0.000 0.000 8.053) 8.053 1.187 ( 0.000 0.000 15.833) 15.833 1.279 ( 0.000 0.000 -4.278) 4.278 1.415 ( 0.000 0.000 -1.943) 1.943 1.432 ( 0.000 0.000 -4.795) 4.795 1.474 ( 0.000 0.000 -17.578) 17.578 1.490 ( 0.000 0.000 -4.577) 4.577 1.599 ( 0.000 0.000 2.784) 2.784 1.664 ( 0.000 0.000 -3.864) 3.864 1.683 ( 0.000 0.000 4.142) 4.142 1.734 ( 0.000 0.000 4.204) 4.204 1.742 ( 0.000 0.000 -2.362) 2.362 1.829 ( 0.000 0.000 -5.679) 5.679 2.098 ( 0.000 0.000 1.477) 1.477 2.121 ( 0.000 0.000 -0.822) 0.822 2.125 ( 0.000 0.000 5.436) 5.436 2.189 ( 0.000 0.000 -1.016) 1.016 2.192 ( 0.000 0.000 -0.684) 0.684 2.194 ( 0.000 0.000 -0.797) 0.797 2.270 ( 0.000 0.000 1.539) 1.539 2.311 ( 0.000 0.000 -2.729) 2.729 2.339 ( 0.000 0.000 2.275) 2.275 2.362 ( 0.000 0.000 -0.743) 0.743 2.427 ( 0.000 0.000 0.483) 0.483 2.429 ( 0.000 0.000 0.304) 0.304 2.437 ( 0.000 0.000 2.582) 2.582 2.478 ( 0.000 0.000 -1.838) 1.838 2.616 ( 0.000 0.000 -0.419) 0.419 2.619 ( 0.000 0.000 0.700) 0.700 2.625 ( 0.000 0.000 -1.384) 1.384 2.635 ( 0.000 0.000 -0.877) 0.877 2.674 ( 0.000 0.000 4.236) 4.236 2.687 ( 0.000 0.000 1.238) 1.238 2.714 ( 0.000 0.000 -1.663) 1.663 2.750 ( 0.000 0.000 -3.832) 3.832 2.813 ( 0.000 0.000 1.468) 1.468 2.824 ( 0.000 0.000 1.097) 1.097 2.852 ( 0.000 0.000 1.106) 1.106 2.858 ( 0.000 0.000 0.189) 0.189 2.934 ( 0.000 0.000 3.611) 3.611 2.994 ( 0.000 0.000 -1.376) 1.376 2.995 ( 0.000 0.000 -1.601) 1.601 3.011 ( 0.000 0.000 -3.930) 3.930 3.046 ( 0.000 0.000 1.141) 1.141 3.066 ( 0.000 0.000 -0.648) 0.648 3.076 ( 0.000 0.000 0.182) 0.182 3.089 ( 0.000 0.000 -0.716) 0.716 3.148 ( 0.000 0.000 3.345) 3.345 3.173 ( 0.000 0.000 3.955) 3.955 3.173 ( 0.000 0.000 1.301) 1.301 3.227 ( 0.000 0.000 2.956) 2.956 3.245 ( 0.000 0.000 -3.930) 3.930 3.271 ( 0.000 0.000 -2.311) 2.311 3.276 ( 0.000 0.000 1.756) 1.756 3.299 ( 0.000 0.000 0.685) 0.685 3.307 ( 0.000 0.000 -1.209) 1.209 3.325 ( 0.000 0.000 -1.963) 1.963 3.354 ( 0.000 0.000 4.636) 4.636 3.424 ( 0.000 0.000 5.351) 5.351 3.442 ( 0.000 0.000 -3.493) 3.493 3.467 ( 0.000 0.000 0.791) 0.791 3.470 ( 0.000 0.000 2.729) 2.729 3.541 ( 0.000 0.000 0.883) 0.883 3.552 ( 0.000 0.000 -3.935) 3.935 3.563 ( 0.000 0.000 2.862) 2.862 3.579 ( 0.000 0.000 -4.066) 4.066 3.635 ( 0.000 0.000 -4.975) 4.975 3.655 ( 0.000 0.000 1.688) 1.688 3.701 ( 0.000 0.000 -0.642) 0.642 3.713 ( 0.000 0.000 -3.066) 3.066 3.769 ( 0.000 0.000 -8.883) 8.883 3.824 ( 0.000 0.000 1.584) 1.584 3.837 ( 0.000 0.000 0.686) 0.686 3.942 ( 0.000 0.000 6.725) 6.725 4.027 ( 0.000 0.000 -0.943) 0.943 4.139 ( 0.000 0.000 1.715) 1.715 4.184 ( 0.000 0.000 -2.376) 2.376 4.212 ( 0.000 0.000 2.962) 2.962 4.219 ( 0.000 0.000 0.133) 0.133 4.236 ( 0.000 0.000 -0.653) 0.653 4.288 ( 0.000 0.000 1.774) 1.774 4.303 ( 0.000 0.000 -5.899) 5.899 4.360 ( 0.000 0.000 -4.859) 4.859 4.361 ( 0.000 0.000 2.418) 2.418 4.427 ( 0.000 0.000 -4.229) 4.229 4.453 ( 0.000 0.000 5.138) 5.138 4.477 ( 0.000 0.000 5.851) 5.851 4.506 ( 0.000 0.000 5.092) 5.092 4.515 ( 0.000 0.000 -1.545) 1.545 4.549 ( 0.000 0.000 -2.574) 2.574 4.590 ( 0.000 0.000 -2.778) 2.778 4.675 ( 0.000 0.000 6.015) 6.015 4.700 ( 0.000 0.000 4.115) 4.115 4.718 ( 0.000 0.000 -1.320) 1.320 4.723 ( 0.000 0.000 -1.618) 1.618 4.742 ( 0.000 0.000 -1.012) 1.012 4.767 ( 0.000 0.000 -2.852) 2.852 4.789 ( 0.000 0.000 0.062) 0.062 4.791 ( 0.000 0.000 0.189) 0.189 4.908 ( 0.000 0.000 1.164) 1.164 4.935 ( 0.000 0.000 -1.665) 1.665 5.003 ( 0.000 0.000 0.210) 0.210 5.007 ( 0.000 0.000 -0.174) 0.174 5.133 ( 0.000 0.000 1.520) 1.520 5.187 ( 0.000 0.000 1.600) 1.600 5.197 ( 0.000 0.000 -4.849) 4.849 5.220 ( 0.000 0.000 -1.755) 1.755 5.248 ( 0.000 0.000 0.038) 0.038 5.264 ( 0.000 0.000 -0.922) 0.922 5.354 ( 0.000 0.000 1.157) 1.157 5.367 ( 0.000 0.000 -0.133) 0.133 5.488 ( 0.000 0.000 -0.269) 0.269 5.491 ( 0.000 0.000 -0.479) 0.479 5.499 ( 0.000 0.000 2.793) 2.793 5.514 ( 0.000 0.000 0.422) 0.422 5.562 ( 0.000 0.000 0.639) 0.639 5.575 ( 0.000 0.000 -0.752) 0.752 5.688 ( 0.000 0.000 1.414) 1.414 5.740 ( 0.000 0.000 -3.673) 3.673 5.810 ( 0.000 0.000 0.564) 0.564 5.816 ( 0.000 0.000 -0.099) 0.099 5.834 ( 0.000 0.000 0.211) 0.211 5.837 ( 0.000 0.000 -0.161) 0.161 6.085 ( 0.000 0.000 1.283) 1.283 6.111 ( 0.000 0.000 -1.320) 1.320 6.164 ( 0.000 0.000 -0.048) 0.048 6.170 ( 0.000 0.000 -0.699) 0.699 6.349 ( 0.000 0.000 5.093) 5.093 6.442 ( 0.000 0.000 -4.495) 4.495 6.572 ( 0.000 0.000 0.989) 0.989 6.599 ( 0.000 0.000 -1.993) 1.993 6.703 ( 0.000 0.000 2.708) 2.708 6.747 ( 0.000 0.000 2.460) 2.460 6.757 ( 0.000 0.000 -2.818) 2.818 6.784 ( 0.000 0.000 -1.437) 1.437 6.917 ( 0.000 0.000 0.443) 0.443 6.923 ( 0.000 0.000 -0.202) 0.202 7.401 ( 0.000 0.000 5.104) 5.104 7.500 ( 0.000 0.000 -4.981) 4.981 7.606 ( 0.000 0.000 3.717) 3.717 7.691 ( 0.000 0.000 -5.264) 5.264 7.812 ( 0.000 0.000 1.968) 1.968 7.861 ( 0.000 0.000 -3.305) 3.305 7.948 ( 0.000 0.000 3.512) 3.512 7.952 ( 0.000 0.000 1.989) 1.989 7.983 ( 0.000 0.000 -1.278) 1.278 8.024 ( 0.000 0.000 -4.365) 4.365 8.111 ( 0.000 0.000 7.332) 7.332 8.227 ( 0.000 0.000 -5.106) 5.106 8.239 ( 0.000 0.000 1.909) 1.909 8.274 ( 0.000 0.000 -1.702) 1.702 8.554 ( 0.000 0.000 4.997) 4.997 8.639 ( 0.000 0.000 -3.784) 3.784 9.144 ( 0.000 0.000 5.987) 5.987 9.264 ( 0.000 0.000 -6.254) 6.254 9.402 ( 0.000 0.000 2.188) 2.188 9.447 ( 0.000 0.000 -2.524) 2.524 9.499 ( 0.000 0.000 2.255) 2.255 9.540 ( 0.000 0.000 -1.845) 1.845 9.798 ( 0.000 0.000 2.097) 2.097 9.835 ( 0.000 0.000 -1.696) 1.696 11.666 ( 0.000 0.000 1.203) 1.203 11.692 ( 0.000 0.000 -1.583) 1.583 11.836 ( 0.000 0.000 3.825) 3.825 11.857 ( 0.000 0.000 1.199) 1.199 11.875 ( 0.000 0.000 -0.705) 0.705 11.898 ( 0.000 0.000 0.403) 0.403 11.899 ( 0.000 0.000 -1.183) 1.183 11.921 ( 0.000 0.000 -3.247) 3.247 11.951 ( 0.000 0.000 0.088) 0.088 11.954 ( 0.000 0.000 -0.221) 0.221 12.275 ( 0.000 0.000 0.514) 0.514 12.285 ( 0.000 0.000 -0.499) 0.499 12.342 ( 0.000 0.000 2.938) 2.938 12.410 ( 0.000 0.000 -4.177) 4.177 12.958 ( 0.000 0.000 5.070) 5.070 13.040 ( 0.000 0.000 -3.523) 3.523 13.754 ( 0.000 0.000 5.250) 5.250 13.865 ( 0.000 0.000 -6.152) 6.152 14.400 ( 0.000 0.000 1.438) 1.438 14.431 ( 0.000 0.000 -1.829) 1.829 14.505 ( 0.000 0.000 2.648) 2.648 14.549 ( 0.000 0.000 -1.896) 1.896 14.637 ( 0.000 0.000 1.728) 1.728 14.666 ( 0.000 0.000 -1.334) 1.334 ======================= Grid point 46 (17/30) ======================= q-point: ( 0.12 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 14.979 0.000 9.375) 17.671 0.517 ( 12.455 0.000 14.785) 19.332 0.663 ( 10.323 0.000 -13.000) 16.600 0.778 ( 12.391 0.000 -13.905) 18.625 0.864 ( 24.755 0.000 14.729) 28.805 1.102 ( 8.899 0.000 -3.934) 9.729 1.184 ( 3.636 0.000 13.097) 13.593 1.216 ( 3.401 0.000 14.966) 15.347 1.332 ( 11.271 0.000 -3.333) 11.753 1.369 ( 8.481 0.000 -2.822) 8.939 1.449 ( 2.780 0.000 -9.013) 9.432 1.465 ( 0.655 0.000 -14.039) 14.054 1.475 ( 5.320 0.000 3.148) 6.182 1.561 ( 4.999 0.000 -7.030) 8.626 1.635 ( 0.051 0.000 1.323) 1.324 1.660 ( 1.024 0.000 2.187) 2.415 1.661 ( -0.921 0.000 -0.290) 0.966 1.694 ( 2.191 0.000 -1.594) 2.710 1.845 ( 4.432 0.000 -0.021) 4.432 1.853 ( 0.411 0.000 -1.143) 1.214 2.063 ( -6.543 0.000 3.325) 7.339 2.067 ( -3.134 0.000 2.097) 3.771 2.102 ( -1.887 0.000 -0.719) 2.020 2.115 ( -7.974 0.000 -1.496) 8.113 2.194 ( -0.873 0.000 -0.409) 0.964 2.195 ( 0.256 0.000 -0.379) 0.457 2.258 ( -1.852 0.000 0.308) 1.878 2.271 ( -4.850 0.000 -0.499) 4.875 2.327 ( -0.736 0.000 0.459) 0.867 2.335 ( -3.407 0.000 -0.091) 3.408 2.365 ( -3.472 0.000 0.752) 3.553 2.371 ( -3.045 0.000 0.504) 3.086 2.473 ( -6.429 0.000 -0.635) 6.461 2.479 ( -3.366 0.000 -0.999) 3.511 2.520 ( -0.903 0.000 0.541) 1.053 2.537 ( 3.373 0.000 -1.783) 3.815 2.620 ( -3.602 0.000 2.091) 4.165 2.634 ( -2.784 0.000 -0.198) 2.791 2.648 ( -2.408 0.000 2.293) 3.325 2.691 ( -3.587 0.000 -2.302) 4.262 2.698 ( -2.732 0.000 -0.486) 2.775 2.708 ( -2.949 0.000 -2.731) 4.020 2.764 ( -0.085 0.000 2.204) 2.206 2.789 ( 0.279 0.000 0.037) 0.281 2.888 ( -0.711 0.000 0.347) 0.791 2.898 ( -3.360 0.000 0.842) 3.464 2.928 ( 2.496 0.000 0.122) 2.499 2.932 ( -0.543 0.000 -0.181) 0.572 3.021 ( -2.107 0.000 0.935) 2.306 3.042 ( -3.325 0.000 -0.647) 3.387 3.046 ( 0.816 0.000 -1.573) 1.772 3.062 ( 0.584 0.000 -1.891) 1.980 3.086 ( 2.106 0.000 1.407) 2.533 3.121 ( 3.948 0.000 -1.709) 4.302 3.125 ( -2.844 0.000 1.368) 3.156 3.138 ( -3.721 0.000 -0.517) 3.757 3.162 ( 0.810 0.000 2.096) 2.247 3.204 ( -2.628 0.000 -2.218) 3.439 3.253 ( -1.471 0.000 -0.144) 1.478 3.270 ( 1.736 0.000 -0.964) 1.985 3.294 ( 2.616 0.000 1.504) 3.017 3.324 ( 0.959 0.000 -0.857) 1.286 3.327 ( 1.741 0.000 3.607) 4.005 3.349 ( 2.030 0.000 -0.103) 2.032 3.389 ( 2.250 0.000 0.799) 2.388 3.411 ( 2.129 0.000 2.746) 3.475 3.451 ( -0.060 0.000 -0.912) 0.914 3.456 ( 0.753 0.000 1.697) 1.856 3.488 ( 3.497 0.000 4.691) 5.851 3.515 ( -1.478 0.000 0.459) 1.548 3.555 ( -0.244 0.000 -1.270) 1.294 3.572 ( 0.589 0.000 -0.669) 0.892 3.598 ( -3.926 0.000 2.197) 4.499 3.622 ( 0.329 0.000 2.197) 2.222 3.649 ( 0.158 0.000 -0.262) 0.306 3.667 ( -4.211 0.000 -1.508) 4.473 3.674 ( -2.001 0.000 -2.141) 2.931 3.734 ( 4.805 0.000 -6.616) 8.177 3.836 ( 4.570 0.000 -0.770) 4.635 3.856 ( 2.203 0.000 -3.543) 4.172 4.077 ( -6.258 0.000 5.117) 8.083 4.094 ( 4.764 0.000 1.113) 4.892 4.108 ( 0.656 0.000 0.480) 0.813 4.141 ( -6.635 0.000 -2.125) 6.967 4.162 ( -2.668 0.000 3.032) 4.039 4.193 ( -1.761 0.000 -1.887) 2.582 4.205 ( 1.839 0.000 -2.447) 3.061 4.252 ( -3.296 0.000 -4.809) 5.830 4.337 ( 2.168 0.000 -0.903) 2.349 4.337 ( -2.761 0.000 0.006) 2.761 4.371 ( 1.031 0.000 0.922) 1.383 4.399 ( 1.413 0.000 -0.555) 1.518 4.421 ( -3.902 0.000 0.462) 3.930 4.427 ( -0.430 0.000 1.218) 1.292 4.465 ( -3.511 0.000 5.486) 6.514 4.558 ( -0.696 0.000 -2.758) 2.844 4.600 ( 3.583 0.000 -0.167) 3.587 4.608 ( -0.735 0.000 -1.743) 1.892 4.656 ( 0.506 0.000 1.136) 1.243 4.668 ( -1.687 0.000 0.009) 1.687 4.719 ( 1.978 0.000 6.212) 6.519 4.729 ( -2.989 0.000 2.164) 3.691 4.764 ( 1.194 0.000 -0.840) 1.460 4.784 ( 2.440 0.000 -1.436) 2.831 4.813 ( 2.541 0.000 -0.607) 2.613 4.829 ( 4.995 0.000 -1.090) 5.112 4.897 ( -0.830 0.000 0.768) 1.131 4.922 ( -1.106 0.000 -1.966) 2.256 5.016 ( 0.868 0.000 0.028) 0.868 5.016 ( 1.268 0.000 -0.006) 1.269 5.125 ( -2.766 0.000 2.076) 3.459 5.163 ( -1.786 0.000 -0.372) 1.825 5.167 ( -4.517 0.000 -0.463) 4.540 5.191 ( -4.839 0.000 -3.732) 6.111 5.230 ( 1.552 0.000 -0.105) 1.555 5.240 ( -1.196 0.000 -0.447) 1.277 5.335 ( -1.221 0.000 2.623) 2.894 5.376 ( -0.952 0.000 -1.653) 1.908 5.444 ( -0.608 0.000 1.401) 1.527 5.469 ( 0.596 0.000 -1.578) 1.686 5.541 ( 2.274 0.000 1.857) 2.936 5.555 ( 3.559 0.000 1.498) 3.862 5.574 ( 2.769 0.000 0.786) 2.879 5.613 ( 4.128 0.000 -2.209) 4.682 5.721 ( 1.847 0.000 2.996) 3.520 5.779 ( 0.500 0.000 -2.054) 2.115 5.806 ( -2.750 0.000 0.029) 2.750 5.810 ( 0.343 0.000 -1.226) 1.274 5.867 ( 4.045 0.000 0.418) 4.066 5.876 ( 3.503 0.000 -0.650) 3.563 6.031 ( -4.572 0.000 0.944) 4.669 6.047 ( -5.521 0.000 -0.767) 5.575 6.141 ( -3.088 0.000 -0.514) 3.131 6.142 ( -2.621 0.000 -0.528) 2.674 6.311 ( -7.031 0.000 4.393) 8.291 6.384 ( -8.369 0.000 -3.233) 8.972 6.570 ( 0.919 0.000 0.904) 1.289 6.620 ( 0.363 0.000 -4.796) 4.809 6.711 ( 1.446 0.000 1.772) 2.287 6.751 ( 0.288 0.000 -2.449) 2.466 6.824 ( 4.839 0.000 1.834) 5.175 6.870 ( 8.561 0.000 -3.510) 9.252 6.953 ( 2.490 0.000 1.266) 2.793 6.987 ( 5.831 0.000 -4.056) 7.103 7.425 ( 2.568 0.000 3.565) 4.394 7.464 ( -1.787 0.000 0.533) 1.865 7.596 ( -5.010 0.000 8.250) 9.652 7.691 ( -1.082 0.000 -5.389) 5.497 7.750 ( 2.080 0.000 0.803) 2.230 7.832 ( -2.673 0.000 -5.663) 6.262 7.931 ( -0.178 0.000 4.004) 4.008 8.002 ( 3.236 0.000 4.437) 5.492 8.015 ( 0.980 0.000 -4.600) 4.703 8.059 ( 4.375 0.000 -1.834) 4.744 8.086 ( 1.433 0.000 5.307) 5.497 8.173 ( 1.318 0.000 -3.920) 4.135 8.322 ( 5.832 0.000 4.820) 7.566 8.391 ( 9.629 0.000 -2.661) 9.990 8.709 ( 4.879 0.000 -1.394) 5.074 8.717 ( 6.340 0.000 -4.044) 7.520 9.126 ( -1.590 0.000 5.161) 5.400 9.230 ( -3.192 0.000 -5.385) 6.260 9.378 ( -4.684 0.000 2.741) 5.427 9.392 ( -12.427 0.000 3.709) 12.969 9.402 ( -8.607 0.000 0.799) 8.644 9.419 ( -3.452 0.000 -1.936) 3.958 9.629 ( -8.635 0.000 7.256) 11.279 9.708 ( -8.575 0.000 -1.567) 8.717 11.602 ( -0.791 0.000 3.764) 3.846 11.649 ( -0.542 0.000 -1.183) 1.301 11.781 ( -1.755 0.000 -0.411) 1.802 11.794 ( 1.502 0.000 -2.138) 2.613 11.862 ( 1.621 0.000 3.219) 3.604 11.906 ( 4.522 0.000 1.307) 4.707 11.908 ( 3.112 0.000 -1.418) 3.420 11.953 ( 3.124 0.000 -3.695) 4.839 12.008 ( 0.728 0.000 5.459) 5.508 12.117 ( 1.994 0.000 -6.437) 6.739 12.359 ( 14.538 0.000 6.170) 15.793 12.437 ( 13.254 0.000 -2.356) 13.462 12.636 ( 15.289 0.000 6.038) 16.438 12.844 ( 8.235 0.000 -13.424) 15.748 12.932 ( -1.280 0.000 5.814) 5.953 13.122 ( 16.855 0.000 -22.740) 28.305 13.771 ( 1.745 0.000 4.627) 4.945 13.869 ( 0.475 0.000 -5.491) 5.511 14.339 ( -6.270 0.000 2.790) 6.863 14.385 ( -4.700 0.000 -2.449) 5.300 14.412 ( -10.588 0.000 8.254) 13.425 14.477 ( -7.195 0.000 -1.377) 7.325 14.521 ( -6.086 0.000 4.833) 7.772 14.569 ( -5.923 0.000 -0.653) 5.959 ======================= Grid point 47 (18/30) ======================= q-point: ( 0.25 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 15.924 0.000 5.103) 16.721 0.767 ( 13.952 0.000 9.786) 17.042 0.884 ( 12.237 0.000 -8.936) 15.152 0.967 ( 9.300 0.000 -11.315) 14.646 1.253 ( 6.400 0.000 10.053) 11.917 1.263 ( 5.368 0.000 11.287) 12.499 1.387 ( 19.437 0.000 5.929) 20.321 1.398 ( 13.684 0.000 -3.017) 14.013 1.448 ( 3.312 0.000 -2.182) 3.966 1.492 ( 2.307 0.000 -12.243) 12.458 1.540 ( 0.972 0.000 -0.386) 1.046 1.550 ( -4.915 0.000 -0.382) 4.930 1.559 ( 9.245 0.000 -1.867) 9.431 1.582 ( 4.844 0.000 -2.715) 5.554 1.648 ( 7.204 0.000 2.344) 7.576 1.701 ( 2.822 0.000 -2.633) 3.859 1.757 ( 4.068 0.000 0.640) 4.119 1.761 ( 6.238 0.000 0.096) 6.239 1.837 ( -3.903 0.000 2.291) 4.526 1.868 ( -2.419 0.000 0.030) 2.419 1.894 ( -10.518 0.000 0.177) 10.519 1.920 ( -4.717 0.000 -1.552) 4.965 2.030 ( -2.340 0.000 1.400) 2.726 2.051 ( -2.596 0.000 -0.859) 2.734 2.135 ( -3.252 0.000 3.031) 4.446 2.186 ( -1.978 0.000 -2.235) 2.984 2.199 ( -1.929 0.000 -1.303) 2.328 2.203 ( -2.245 0.000 -0.890) 2.415 2.294 ( -0.343 0.000 2.096) 2.124 2.308 ( -2.364 0.000 0.083) 2.366 2.319 ( -1.393 0.000 -0.168) 1.403 2.327 ( -0.603 0.000 -1.294) 1.428 2.392 ( -1.687 0.000 1.055) 1.989 2.408 ( -3.200 0.000 -0.593) 3.254 2.490 ( -3.232 0.000 1.943) 3.771 2.502 ( -1.937 0.000 0.768) 2.084 2.570 ( -3.480 0.000 1.681) 3.865 2.595 ( -3.401 0.000 0.189) 3.406 2.627 ( -1.597 0.000 -0.325) 1.630 2.629 ( -3.923 0.000 -1.238) 4.114 2.665 ( 1.784 0.000 -0.953) 2.023 2.678 ( 0.642 0.000 -2.505) 2.586 2.747 ( -6.001 0.000 3.485) 6.940 2.760 ( -2.682 0.000 1.445) 3.046 2.825 ( -7.366 0.000 -1.229) 7.468 2.825 ( -4.251 0.000 -1.265) 4.435 2.872 ( -5.830 0.000 -0.323) 5.839 2.880 ( -0.900 0.000 -1.762) 1.979 2.982 ( 1.138 0.000 1.260) 1.698 3.011 ( 0.220 0.000 1.117) 1.138 3.027 ( -1.494 0.000 0.041) 1.494 3.032 ( -1.769 0.000 -4.500) 4.835 3.094 ( -1.491 0.000 -1.592) 2.181 3.105 ( 1.728 0.000 -3.582) 3.977 3.138 ( -3.678 0.000 -0.235) 3.686 3.140 ( -3.003 0.000 -0.371) 3.025 3.189 ( 1.332 0.000 1.037) 1.688 3.190 ( 0.224 0.000 0.062) 0.232 3.230 ( 0.480 0.000 -0.002) 0.480 3.241 ( -1.638 0.000 1.478) 2.206 3.346 ( 0.807 0.000 -0.754) 1.104 3.356 ( 2.258 0.000 -0.460) 2.304 3.371 ( -2.045 0.000 2.506) 3.235 3.389 ( 5.038 0.000 0.906) 5.118 3.437 ( 4.349 0.000 -0.955) 4.453 3.447 ( -1.918 0.000 -1.856) 2.669 3.481 ( 4.207 0.000 6.905) 8.086 3.501 ( 2.963 0.000 1.915) 3.528 3.509 ( 1.960 0.000 0.169) 1.967 3.546 ( 1.703 0.000 1.513) 2.278 3.560 ( -0.764 0.000 1.326) 1.530 3.563 ( -2.669 0.000 -1.060) 2.872 3.582 ( 3.541 0.000 1.621) 3.895 3.593 ( 2.254 0.000 1.352) 2.629 3.647 ( 2.480 0.000 -0.990) 2.670 3.657 ( -2.133 0.000 -2.891) 3.593 3.750 ( 6.870 0.000 1.635) 7.061 3.817 ( 0.279 0.000 -3.908) 3.918 3.851 ( -2.482 0.000 -0.387) 2.512 3.859 ( -1.827 0.000 -1.106) 2.136 3.875 ( -7.172 0.000 2.767) 7.687 3.955 ( -6.483 0.000 -4.863) 8.104 4.086 ( -3.233 0.000 3.355) 4.659 4.113 ( -3.071 0.000 0.228) 3.080 4.180 ( -0.236 0.000 2.146) 2.159 4.190 ( -0.095 0.000 1.915) 1.917 4.228 ( 2.343 0.000 -2.073) 3.128 4.262 ( 2.565 0.000 -4.582) 5.251 4.306 ( -0.890 0.000 2.757) 2.897 4.331 ( -7.112 0.000 2.442) 7.519 4.337 ( -2.204 0.000 -1.626) 2.739 4.364 ( -1.169 0.000 -1.110) 1.612 4.382 ( -0.747 0.000 -0.824) 1.112 4.425 ( -1.743 0.000 -4.353) 4.689 4.472 ( 2.991 0.000 4.698) 5.570 4.538 ( 1.444 0.000 -2.758) 3.113 4.598 ( -3.925 0.000 1.165) 4.095 4.607 ( -2.243 0.000 0.536) 2.306 4.643 ( 3.689 0.000 1.381) 3.939 4.688 ( 3.150 0.000 -3.761) 4.906 4.731 ( 3.233 0.000 1.209) 3.452 4.752 ( 1.548 0.000 0.167) 1.557 4.825 ( 0.612 0.000 0.000) 0.612 4.828 ( 1.511 0.000 -0.503) 1.593 4.871 ( 5.283 0.000 4.322) 6.825 4.879 ( 0.482 0.000 0.940) 1.056 4.905 ( 1.498 0.000 1.802) 2.343 4.906 ( -0.280 0.000 -1.206) 1.239 4.990 ( -9.742 0.000 1.039) 9.797 5.019 ( -2.057 0.000 0.089) 2.059 5.041 ( 0.627 0.000 -0.338) 0.712 5.074 ( -4.485 0.000 -5.135) 6.818 5.118 ( 0.136 0.000 1.301) 1.308 5.144 ( -0.505 0.000 -1.220) 1.321 5.259 ( 2.495 0.000 1.977) 3.183 5.261 ( 0.523 0.000 2.015) 2.082 5.313 ( -4.060 0.000 -1.813) 4.446 5.322 ( 1.317 0.000 -3.124) 3.391 5.474 ( 2.842 0.000 0.762) 2.942 5.502 ( 1.270 0.000 -1.981) 2.353 5.591 ( 2.100 0.000 1.058) 2.351 5.609 ( 0.328 0.000 -0.718) 0.789 5.649 ( 5.184 0.000 3.139) 6.061 5.702 ( 3.679 0.000 -2.070) 4.221 5.737 ( 0.394 0.000 3.398) 3.421 5.746 ( -1.203 0.000 -0.038) 1.203 5.754 ( -2.533 0.000 2.201) 3.356 5.834 ( 0.019 0.000 -3.581) 3.581 5.925 ( 1.024 0.000 0.658) 1.217 5.932 ( 1.875 0.000 0.071) 1.876 5.943 ( -4.062 0.000 0.158) 4.066 5.945 ( -4.497 0.000 -0.197) 4.501 6.059 ( -5.080 0.000 -0.622) 5.118 6.072 ( -3.804 0.000 -1.802) 4.209 6.140 ( -8.934 0.000 2.671) 9.325 6.183 ( -10.003 0.000 -1.895) 10.181 6.607 ( 3.152 0.000 0.336) 3.170 6.628 ( 1.109 0.000 -1.741) 2.064 6.747 ( 2.115 0.000 -0.116) 2.118 6.757 ( 0.386 0.000 -1.095) 1.161 6.938 ( 5.637 0.000 4.788) 7.395 7.001 ( 2.467 0.000 3.321) 4.138 7.021 ( 6.974 0.000 -2.814) 7.521 7.080 ( 3.659 0.000 -6.780) 7.704 7.447 ( -0.294 0.000 3.680) 3.692 7.487 ( 3.474 0.000 0.283) 3.486 7.514 ( -2.591 0.000 9.995) 10.325 7.648 ( -2.549 0.000 -5.441) 6.009 7.790 ( -1.928 0.000 -2.695) 3.314 7.827 ( 3.766 0.000 -6.550) 7.555 7.918 ( -1.167 0.000 4.051) 4.216 8.003 ( -1.305 0.000 -4.255) 4.450 8.092 ( 5.896 0.000 5.480) 8.050 8.152 ( 3.884 0.000 4.001) 5.577 8.172 ( 6.193 0.000 -3.035) 6.896 8.227 ( 3.405 0.000 -3.991) 5.246 8.457 ( 7.391 0.000 7.249) 10.353 8.584 ( 9.500 0.000 -5.977) 11.224 8.741 ( -2.363 0.000 1.654) 2.884 8.767 ( 1.216 0.000 -0.977) 1.560 9.092 ( -2.027 0.000 3.220) 3.805 9.126 ( -10.947 0.000 5.484) 12.244 9.157 ( -4.383 0.000 -3.295) 5.483 9.197 ( -11.209 0.000 -1.938) 11.375 9.332 ( -2.780 0.000 0.862) 2.911 9.356 ( -3.233 0.000 -1.532) 3.577 9.486 ( -7.477 0.000 1.574) 7.641 9.517 ( -10.244 0.000 -1.512) 10.355 11.669 ( 6.200 0.000 0.684) 6.238 11.686 ( 4.285 0.000 -1.056) 4.413 11.788 ( 1.213 0.000 1.725) 2.108 11.832 ( 1.448 0.000 -2.780) 3.135 11.896 ( 1.845 0.000 2.147) 2.831 11.959 ( 1.742 0.000 -4.216) 4.562 12.014 ( 6.267 0.000 1.135) 6.369 12.035 ( 5.367 0.000 -0.924) 5.446 12.058 ( 5.299 0.000 6.192) 8.150 12.165 ( 4.670 0.000 -5.249) 7.026 12.610 ( 3.918 0.000 5.414) 6.683 12.708 ( 4.810 0.000 -4.952) 6.903 12.783 ( 6.752 0.000 -0.107) 6.753 12.791 ( 2.905 0.000 -0.287) 2.920 13.055 ( 12.143 0.000 14.895) 19.217 13.409 ( 9.134 0.000 -24.359) 26.015 13.816 ( 2.868 0.000 3.092) 4.217 13.882 ( 0.919 0.000 -3.814) 3.924 14.191 ( -7.438 0.000 7.388) 10.484 14.237 ( -7.777 0.000 6.394) 10.068 14.266 ( -7.446 0.000 -3.329) 8.156 14.320 ( -8.144 0.000 -1.702) 8.320 14.416 ( -5.984 0.000 1.327) 6.129 14.439 ( -7.428 0.000 -0.876) 7.479 ======================= Grid point 48 (19/30) ======================= q-point: ( 0.38 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 13.638 0.000 5.156) 14.580 1.039 ( 13.481 0.000 2.445) 13.701 1.100 ( 9.957 0.000 -4.214) 10.812 1.151 ( 9.470 0.000 -7.014) 11.785 1.289 ( -1.236 0.000 5.378) 5.518 1.339 ( 0.083 0.000 4.330) 4.331 1.387 ( -3.014 0.000 -1.998) 3.617 1.412 ( -5.871 0.000 0.427) 5.886 1.477 ( -2.776 0.000 -1.669) 3.239 1.524 ( -0.786 0.000 -7.226) 7.269 1.557 ( -7.296 0.000 1.670) 7.484 1.583 ( -7.577 0.000 -1.197) 7.671 1.693 ( 4.450 0.000 0.471) 4.475 1.694 ( 1.884 0.000 0.498) 1.948 1.722 ( 8.820 0.000 0.695) 8.847 1.726 ( 1.296 0.000 -0.481) 1.382 1.750 ( 3.712 0.000 1.733) 4.097 1.768 ( -3.734 0.000 -0.356) 3.751 1.820 ( 2.518 0.000 3.538) 4.343 1.869 ( 3.259 0.000 -1.889) 3.767 1.928 ( 9.157 0.000 2.957) 9.623 1.974 ( 6.176 0.000 -1.693) 6.404 2.003 ( 0.538 0.000 0.953) 1.094 2.059 ( 2.617 0.000 -4.753) 5.426 2.092 ( -1.455 0.000 4.907) 5.118 2.134 ( -2.788 0.000 1.884) 3.365 2.173 ( -0.990 0.000 -2.279) 2.485 2.182 ( -1.652 0.000 -4.757) 5.036 2.263 ( -2.122 0.000 2.170) 3.035 2.302 ( -0.284 0.000 -1.014) 1.052 2.304 ( -2.356 0.000 0.167) 2.362 2.310 ( 0.342 0.000 -1.513) 1.551 2.377 ( 1.049 0.000 2.528) 2.737 2.421 ( 4.079 0.000 -1.752) 4.439 2.475 ( 2.200 0.000 1.453) 2.636 2.480 ( 0.281 0.000 1.964) 1.984 2.529 ( -1.525 0.000 1.228) 1.958 2.540 ( -2.161 0.000 1.340) 2.543 2.554 ( -2.908 0.000 0.606) 2.971 2.577 ( -2.600 0.000 -1.375) 2.941 2.625 ( -3.754 0.000 -0.066) 3.755 2.645 ( -4.930 0.000 -2.043) 5.337 2.668 ( -2.733 0.000 2.434) 3.659 2.692 ( -3.939 0.000 0.475) 3.967 2.705 ( -0.889 0.000 -1.479) 1.726 2.730 ( -3.649 0.000 -3.047) 4.754 2.846 ( -0.416 0.000 3.521) 3.546 2.926 ( -6.226 0.000 -3.996) 7.398 2.944 ( 0.284 0.000 0.293) 0.408 2.963 ( -7.012 0.000 -1.302) 7.132 3.004 ( 0.253 0.000 0.407) 0.479 3.009 ( -1.246 0.000 0.204) 1.263 3.047 ( 3.493 0.000 0.613) 3.547 3.062 ( -1.203 0.000 -0.625) 1.356 3.108 ( -0.861 0.000 -0.083) 0.865 3.135 ( -0.057 0.000 -1.270) 1.271 3.176 ( -2.326 0.000 4.085) 4.701 3.195 ( -3.064 0.000 1.793) 3.550 3.197 ( 0.052 0.000 -3.026) 3.027 3.271 ( 1.598 0.000 -1.273) 2.043 3.338 ( -1.831 0.000 3.628) 4.064 3.361 ( -0.485 0.000 -3.500) 3.534 3.374 ( -0.785 0.000 -2.522) 2.641 3.383 ( -1.110 0.000 -1.403) 1.789 3.417 ( -1.016 0.000 1.929) 2.181 3.483 ( -2.814 0.000 -3.368) 4.389 3.501 ( 1.661 0.000 0.777) 1.834 3.524 ( 3.398 0.000 -1.443) 3.692 3.559 ( 4.073 0.000 3.444) 5.334 3.570 ( -1.797 0.000 1.444) 2.305 3.576 ( -0.492 0.000 0.459) 0.672 3.606 ( 4.029 0.000 -2.033) 4.513 3.639 ( 7.178 0.000 2.577) 7.626 3.657 ( 1.465 0.000 0.391) 1.516 3.659 ( 0.647 0.000 0.576) 0.867 3.706 ( 6.224 0.000 -2.140) 6.582 3.756 ( -2.289 0.000 1.312) 2.638 3.766 ( -4.281 0.000 0.996) 4.396 3.821 ( 0.545 0.000 1.282) 1.393 3.840 ( 2.313 0.000 -0.673) 2.409 3.908 ( 0.428 0.000 -2.329) 2.368 3.921 ( 2.630 0.000 -3.393) 4.293 4.019 ( -4.170 0.000 2.974) 5.121 4.049 ( -6.224 0.000 1.020) 6.307 4.170 ( -1.818 0.000 1.850) 2.594 4.170 ( 2.435 0.000 3.932) 4.624 4.213 ( -3.765 0.000 3.101) 4.878 4.251 ( -1.982 0.000 1.105) 2.270 4.264 ( -4.140 0.000 -2.009) 4.602 4.295 ( 1.822 0.000 -0.324) 1.850 4.301 ( 2.836 0.000 -0.048) 2.837 4.326 ( -1.530 0.000 -1.582) 2.200 4.399 ( 2.235 0.000 0.662) 2.331 4.408 ( -2.575 0.000 -1.658) 3.062 4.454 ( -5.744 0.000 0.329) 5.753 4.536 ( 0.798 0.000 -6.886) 6.932 4.554 ( 1.223 0.000 3.599) 3.801 4.619 ( 1.250 0.000 -2.549) 2.839 4.726 ( -6.809 0.000 2.403) 7.220 4.734 ( -3.172 0.000 0.742) 3.258 4.775 ( 5.248 0.000 0.980) 5.339 4.798 ( -0.994 0.000 3.058) 3.215 4.802 ( 5.137 0.000 -2.186) 5.583 4.841 ( 0.589 0.000 -0.549) 0.805 4.844 ( 0.299 0.000 -1.182) 1.220 4.867 ( -0.349 0.000 -2.488) 2.512 4.893 ( 1.126 0.000 0.213) 1.146 4.909 ( 1.978 0.000 -1.489) 2.475 4.988 ( 2.233 0.000 0.265) 2.249 4.991 ( -0.674 0.000 0.010) 0.674 5.033 ( -1.826 0.000 -0.528) 1.901 5.056 ( -0.926 0.000 -3.601) 3.718 5.122 ( 0.008 0.000 3.067) 3.067 5.144 ( 1.736 0.000 0.462) 1.797 5.224 ( -2.303 0.000 3.027) 3.804 5.235 ( -2.373 0.000 1.957) 3.076 5.356 ( 5.431 0.000 0.523) 5.456 5.403 ( 5.352 0.000 -4.530) 7.012 5.506 ( -0.900 0.000 -0.010) 0.900 5.525 ( 1.765 0.000 -1.834) 2.545 5.587 ( -1.776 0.000 0.532) 1.854 5.595 ( -0.978 0.000 -0.402) 1.058 5.665 ( -2.890 0.000 1.853) 3.433 5.687 ( -4.000 0.000 -0.716) 4.064 5.752 ( 1.720 0.000 1.076) 2.029 5.764 ( 1.461 0.000 -0.168) 1.471 5.772 ( 3.001 0.000 4.847) 5.701 5.829 ( -2.478 0.000 0.923) 2.645 5.851 ( -1.965 0.000 -2.331) 3.049 5.855 ( -4.316 0.000 -1.136) 4.463 5.905 ( -2.578 0.000 0.494) 2.625 5.913 ( -4.851 0.000 -0.088) 4.852 6.003 ( 0.442 0.000 1.531) 1.594 6.037 ( -2.064 0.000 1.477) 2.538 6.043 ( 0.509 0.000 -2.798) 2.844 6.075 ( -1.925 0.000 -2.217) 2.936 6.670 ( 3.166 0.000 0.246) 3.176 6.688 ( 4.936 0.000 -1.961) 5.311 6.761 ( -0.311 0.000 0.238) 0.392 6.782 ( 1.114 0.000 -2.208) 2.473 7.007 ( 2.080 0.000 6.438) 6.766 7.043 ( 1.421 0.000 5.239) 5.428 7.119 ( 3.121 0.000 -3.118) 4.412 7.130 ( 1.759 0.000 -6.577) 6.808 7.450 ( 0.577 0.000 5.178) 5.210 7.485 ( -0.977 0.000 7.691) 7.753 7.548 ( 2.853 0.000 -4.358) 5.209 7.611 ( -1.349 0.000 -5.637) 5.796 7.758 ( -0.835 0.000 3.267) 3.372 7.873 ( 1.625 0.000 -8.389) 8.545 7.875 ( -3.934 0.000 4.210) 5.762 7.971 ( -2.464 0.000 -5.351) 5.891 8.195 ( 4.304 0.000 4.610) 6.307 8.213 ( 2.591 0.000 3.954) 4.727 8.271 ( 3.922 0.000 -3.219) 5.074 8.286 ( 2.567 0.000 -3.726) 4.524 8.571 ( 4.226 0.000 8.045) 9.087 8.677 ( -3.365 0.000 7.111) 7.867 8.714 ( 3.916 0.000 -6.896) 7.930 8.780 ( 0.449 0.000 -3.625) 3.653 8.992 ( -3.168 0.000 1.847) 3.667 9.028 ( -5.247 0.000 -1.702) 5.516 9.046 ( -3.203 0.000 1.122) 3.394 9.069 ( -4.747 0.000 -1.208) 4.898 9.291 ( -1.214 0.000 0.688) 1.396 9.309 ( -1.485 0.000 -1.164) 1.887 9.359 ( -5.383 0.000 0.019) 5.383 9.359 ( -5.762 0.000 -0.022) 5.762 11.775 ( 3.735 0.000 0.327) 3.750 11.778 ( 4.224 0.000 0.041) 4.224 11.809 ( 0.894 0.000 1.196) 1.493 11.840 ( -0.583 0.000 -2.132) 2.211 11.962 ( 6.267 0.000 1.299) 6.400 11.995 ( 2.951 0.000 -2.554) 3.903 12.112 ( 3.042 0.000 0.910) 3.175 12.116 ( 1.883 0.000 0.955) 2.112 12.194 ( 8.036 0.000 4.206) 9.070 12.281 ( 6.566 0.000 -4.694) 8.071 12.515 ( -7.681 0.000 0.883) 7.732 12.540 ( -11.272 0.000 -1.598) 11.384 13.015 ( 12.776 0.000 2.201) 12.964 13.071 ( 15.654 0.000 -3.192) 15.976 13.225 ( 4.390 0.000 11.925) 12.707 13.468 ( -2.631 0.000 -13.921) 14.168 13.879 ( 3.983 0.000 1.243) 4.173 13.908 ( 1.928 0.000 -1.703) 2.572 14.068 ( -6.306 0.000 2.527) 6.794 14.114 ( -8.146 0.000 -2.236) 8.447 14.140 ( -1.017 0.000 5.504) 5.598 14.204 ( -3.330 0.000 -1.774) 3.773 14.295 ( -6.491 0.000 0.339) 6.500 14.302 ( -6.669 0.000 -0.299) 6.676 ======================= Grid point 49 (20/30) ======================= q-point: (-0.50 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -5.210 0.000 1.369) 5.387 1.227 ( 5.210 0.000 1.369) 5.387 1.249 ( -7.386 0.000 -1.003) 7.454 1.249 ( 7.386 0.000 -1.003) 7.454 1.280 ( -9.122 0.000 0.473) 9.134 1.280 ( 9.122 0.000 0.473) 9.134 1.303 ( -5.703 0.000 -1.732) 5.960 1.303 ( 5.703 0.000 -1.732) 5.960 1.466 ( -1.314 0.000 1.384) 1.908 1.466 ( 1.314 0.000 1.384) 1.908 1.485 ( -1.453 0.000 -0.414) 1.511 1.485 ( 1.453 0.000 -0.414) 1.511 1.697 ( -0.531 0.000 0.182) 0.561 1.697 ( 0.531 0.000 0.182) 0.561 1.719 ( -2.287 0.000 -2.501) 3.389 1.719 ( 2.287 0.000 -2.501) 3.389 1.839 ( -1.457 0.000 2.569) 2.953 1.839 ( 1.457 0.000 2.569) 2.953 1.872 ( -3.485 0.000 -1.021) 3.632 1.872 ( 3.485 0.000 -1.021) 3.632 2.038 ( -1.314 0.000 3.422) 3.666 2.038 ( 1.314 0.000 3.422) 3.666 2.057 ( -2.556 0.000 2.290) 3.432 2.057 ( 2.556 0.000 2.290) 3.432 2.120 ( -3.975 0.000 -2.508) 4.700 2.120 ( 3.975 0.000 -2.508) 4.700 2.128 ( -3.672 0.000 -4.344) 5.688 2.128 ( 3.672 0.000 -4.344) 5.688 2.258 ( -1.825 0.000 2.446) 3.052 2.258 ( 1.825 0.000 2.446) 3.052 2.300 ( -0.889 0.000 -2.474) 2.629 2.300 ( 0.889 0.000 -2.474) 2.629 2.443 ( -4.720 0.000 4.358) 6.425 2.443 ( 4.720 0.000 4.358) 6.425 2.493 ( -2.749 0.000 -0.546) 2.802 2.493 ( 2.749 0.000 -0.546) 2.802 2.520 ( -0.504 0.000 0.449) 0.675 2.520 ( 0.504 0.000 0.449) 0.675 2.537 ( -1.967 0.000 -0.896) 2.162 2.537 ( 1.967 0.000 -0.896) 2.162 2.633 ( -1.644 0.000 -0.258) 1.664 2.633 ( 1.644 0.000 -0.258) 1.664 2.637 ( -4.552 0.000 -0.901) 4.641 2.637 ( 4.552 0.000 -0.901) 4.641 2.715 ( -9.541 0.000 0.086) 9.541 2.715 ( 9.541 0.000 0.086) 9.541 2.745 ( -4.348 0.000 -2.579) 5.055 2.745 ( 4.348 0.000 -2.579) 5.055 2.974 ( -2.921 0.000 2.002) 3.541 2.974 ( 2.921 0.000 2.002) 3.541 2.993 ( -1.401 0.000 -0.538) 1.501 2.993 ( 1.401 0.000 -0.538) 1.501 3.087 ( -3.309 0.000 3.030) 4.487 3.087 ( 3.309 0.000 3.030) 4.487 3.099 ( -0.893 0.000 2.711) 2.854 3.099 ( 0.893 0.000 2.711) 2.854 3.147 ( -3.097 0.000 0.927) 3.233 3.147 ( 3.097 0.000 0.927) 3.233 3.232 ( -3.375 0.000 -6.788) 7.581 3.232 ( 3.375 0.000 -6.788) 7.581 3.308 ( -0.117 0.000 2.749) 2.752 3.308 ( 0.117 0.000 2.749) 2.752 3.381 ( -1.601 0.000 -4.496) 4.773 3.381 ( 1.601 0.000 -4.496) 4.773 3.494 ( -4.420 0.000 1.248) 4.593 3.494 ( 4.420 0.000 1.248) 4.593 3.529 ( -4.501 0.000 -2.203) 5.012 3.529 ( 4.501 0.000 -2.203) 5.012 3.563 ( -4.028 0.000 1.312) 4.236 3.563 ( 4.028 0.000 1.312) 4.236 3.584 ( -5.442 0.000 -1.026) 5.538 3.584 ( 5.442 0.000 -1.026) 5.538 3.668 ( -3.933 0.000 2.560) 4.692 3.668 ( 3.933 0.000 2.560) 4.692 3.704 ( -4.447 0.000 -1.615) 4.731 3.704 ( 4.447 0.000 -1.615) 4.731 3.816 ( -6.964 0.000 1.448) 7.113 3.816 ( 6.964 0.000 1.448) 7.113 3.848 ( -4.477 0.000 -1.817) 4.832 3.848 ( 4.477 0.000 -1.817) 4.832 3.938 ( -2.434 0.000 0.791) 2.559 3.938 ( 2.434 0.000 0.791) 2.559 3.938 ( -3.756 0.000 0.553) 3.796 3.938 ( 3.756 0.000 0.553) 3.796 4.155 ( -1.437 0.000 2.404) 2.800 4.155 ( 1.437 0.000 2.404) 2.800 4.178 ( -1.882 0.000 -0.121) 1.886 4.178 ( 1.882 0.000 -0.121) 1.886 4.322 ( -3.421 0.000 0.283) 3.433 4.322 ( 3.421 0.000 0.283) 3.433 4.325 ( -3.502 0.000 -0.172) 3.506 4.325 ( 3.502 0.000 -0.172) 3.506 4.416 ( -2.235 0.000 2.780) 3.567 4.416 ( 2.235 0.000 2.780) 3.567 4.436 ( -11.674 0.000 1.480) 11.767 4.436 ( 11.674 0.000 1.480) 11.767 4.613 ( -5.802 0.000 -1.617) 6.023 4.613 ( 5.802 0.000 -1.617) 6.023 4.627 ( -1.986 0.000 -3.697) 4.197 4.627 ( 1.986 0.000 -3.697) 4.197 4.819 ( -1.401 0.000 1.715) 2.215 4.819 ( 1.401 0.000 1.715) 2.215 4.854 ( -0.686 0.000 -1.937) 2.054 4.854 ( 0.686 0.000 -1.937) 2.054 4.919 ( -4.342 0.000 -0.985) 4.453 4.919 ( 4.342 0.000 -0.985) 4.453 4.929 ( -3.746 0.000 -1.494) 4.033 4.929 ( 3.746 0.000 -1.494) 4.033 4.971 ( -1.129 0.000 0.386) 1.193 4.971 ( 1.129 0.000 0.386) 1.193 4.985 ( -3.728 0.000 -2.046) 4.253 4.985 ( 3.728 0.000 -2.046) 4.253 5.178 ( -3.668 0.000 3.500) 5.070 5.178 ( 3.668 0.000 3.500) 5.070 5.193 ( -2.375 0.000 1.636) 2.884 5.193 ( 2.375 0.000 1.636) 2.884 5.455 ( -4.402 0.000 0.772) 4.469 5.455 ( 4.402 0.000 0.772) 4.469 5.490 ( -3.962 0.000 -2.990) 4.964 5.490 ( 3.962 0.000 -2.990) 4.964 5.608 ( -3.110 0.000 0.058) 3.110 5.608 ( 3.110 0.000 0.058) 3.110 5.609 ( -3.061 0.000 0.118) 3.063 5.609 ( 3.061 0.000 0.118) 3.063 5.779 ( -1.128 0.000 0.787) 1.376 5.779 ( 1.128 0.000 0.787) 1.376 5.782 ( -1.608 0.000 1.131) 1.966 5.782 ( 1.608 0.000 1.131) 1.966 5.837 ( -2.449 0.000 1.208) 2.731 5.837 ( 2.449 0.000 1.208) 2.731 5.867 ( -1.740 0.000 -1.147) 2.084 5.867 ( 1.740 0.000 -1.147) 2.084 6.018 ( -0.663 0.000 1.529) 1.667 6.018 ( 0.663 0.000 1.529) 1.667 6.058 ( -0.655 0.000 -2.535) 2.618 6.058 ( 0.655 0.000 -2.535) 2.618 6.732 ( -2.779 0.000 0.892) 2.919 6.732 ( 2.779 0.000 0.892) 2.919 6.768 ( -2.828 0.000 -3.319) 4.360 6.768 ( 2.828 0.000 -3.319) 4.360 7.041 ( -1.394 0.000 6.657) 6.801 7.041 ( 1.394 0.000 6.657) 6.801 7.146 ( -0.206 0.000 -4.762) 4.766 7.146 ( 0.206 0.000 -4.762) 4.766 7.466 ( -1.017 0.000 6.117) 6.201 7.466 ( 1.017 0.000 6.117) 6.201 7.588 ( -1.382 0.000 -6.828) 6.967 7.588 ( 1.382 0.000 -6.828) 6.967 7.787 ( -4.021 0.000 5.973) 7.200 7.787 ( 4.021 0.000 5.973) 7.200 7.914 ( -2.933 0.000 -7.511) 8.063 7.914 ( 2.933 0.000 -7.511) 8.063 8.240 ( -0.280 0.000 4.083) 4.092 8.240 ( 0.280 0.000 4.083) 4.092 8.312 ( -0.250 0.000 -3.428) 3.437 8.312 ( 0.250 0.000 -3.428) 3.437 8.626 ( -2.269 0.000 8.453) 8.752 8.626 ( 2.269 0.000 8.453) 8.752 8.765 ( -2.022 0.000 -6.023) 6.354 8.765 ( 2.022 0.000 -6.023) 6.354 8.993 ( -2.709 0.000 0.166) 2.714 8.993 ( 2.709 0.000 0.166) 2.714 8.996 ( -1.349 0.000 -0.146) 1.357 8.996 ( 1.349 0.000 -0.146) 1.357 9.293 ( -1.595 0.000 0.328) 1.628 9.293 ( 1.595 0.000 0.328) 1.628 9.301 ( -0.835 0.000 -0.521) 0.984 9.301 ( 0.835 0.000 -0.521) 0.984 11.818 ( -0.252 0.000 -0.144) 0.290 11.818 ( 0.252 0.000 -0.144) 0.290 11.818 ( -1.485 0.000 -0.204) 1.499 11.818 ( 1.485 0.000 -0.204) 1.499 12.081 ( -4.871 0.000 1.264) 5.032 12.081 ( 4.871 0.000 1.264) 5.032 12.093 ( -5.256 0.000 0.124) 5.258 12.093 ( 5.256 0.000 0.124) 5.258 12.347 ( -8.611 0.000 1.450) 8.732 12.347 ( 8.611 0.000 1.450) 8.732 12.392 ( -5.409 0.000 -3.101) 6.235 12.392 ( 5.409 0.000 -3.101) 6.235 13.204 ( -6.309 0.000 6.409) 8.993 13.204 ( 6.309 0.000 6.409) 8.993 13.330 ( -11.111 0.000 -6.518) 12.882 13.330 ( 11.111 0.000 -6.518) 12.882 13.965 ( -4.246 0.000 0.499) 4.275 13.965 ( 4.246 0.000 0.499) 4.275 13.975 ( -6.225 0.000 -0.533) 6.248 13.975 ( 6.225 0.000 -0.533) 6.248 14.184 ( -4.747 0.000 1.395) 4.948 14.184 ( 4.747 0.000 1.395) 4.948 14.204 ( -3.075 0.000 -0.702) 3.154 14.204 ( 3.075 0.000 -0.702) 3.154 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.25 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 15.733 10.364) 18.839 0.568 ( 0.000 13.709 13.819) 19.465 0.729 ( 0.000 10.750 -10.619) 15.111 0.735 ( 0.000 17.127 -1.335) 17.179 0.812 ( 0.000 17.062 7.352) 18.579 1.050 ( 0.000 -7.481 15.177) 16.921 1.124 ( 0.000 4.862 -9.442) 10.620 1.242 ( 0.000 5.810 6.541) 8.749 1.266 ( 0.000 -11.616 4.245) 12.368 1.300 ( 0.000 6.924 1.525) 7.090 1.325 ( 0.000 -8.752 -9.832) 13.163 1.346 ( 0.000 4.158 -4.431) 6.076 1.355 ( 0.000 -10.871 -5.003) 11.967 1.477 ( 0.000 3.434 -8.525) 9.191 1.589 ( 0.000 -8.612 3.506) 9.298 1.622 ( 0.000 -5.163 4.686) 6.972 1.631 ( 0.000 -4.920 -2.010) 5.314 1.666 ( 0.000 -2.391 -4.746) 5.314 1.695 ( 0.000 -4.737 -3.186) 5.709 1.698 ( 0.000 -8.732 -5.240) 10.184 2.059 ( 0.000 -2.042 4.947) 5.352 2.095 ( 0.000 -1.009 2.521) 2.715 2.119 ( 0.000 -0.947 -1.642) 1.896 2.138 ( 0.000 1.297 -1.862) 2.269 2.285 ( 0.000 0.869 2.393) 2.546 2.310 ( 0.000 5.597 1.181) 5.721 2.328 ( 0.000 2.368 -1.959) 3.073 2.334 ( 0.000 6.635 -1.155) 6.735 2.372 ( 0.000 2.428 1.867) 3.063 2.385 ( 0.000 2.910 0.406) 2.939 2.448 ( 0.000 1.321 2.177) 2.547 2.463 ( 0.000 3.860 -0.398) 3.880 2.472 ( 0.000 0.100 -1.932) 1.935 2.501 ( 0.000 0.880 -3.151) 3.271 2.554 ( 0.000 -1.436 1.598) 2.148 2.583 ( 0.000 -2.652 -1.461) 3.028 2.584 ( 0.000 -5.549 2.863) 6.244 2.641 ( 0.000 -5.169 -3.081) 6.018 2.675 ( 0.000 1.301 0.583) 1.426 2.681 ( 0.000 0.180 0.001) 0.180 2.683 ( 0.000 0.682 1.631) 1.768 2.708 ( 0.000 0.415 -1.184) 1.255 2.773 ( 0.000 -4.407 3.020) 5.342 2.815 ( 0.000 -3.909 -1.570) 4.212 2.821 ( 0.000 0.395 2.268) 2.303 2.846 ( 0.000 0.597 -0.352) 0.693 2.918 ( 0.000 -4.998 2.897) 5.777 2.979 ( 0.000 -2.221 -2.309) 3.204 2.990 ( 0.000 2.494 2.268) 3.371 3.000 ( 0.000 -3.333 0.223) 3.341 3.021 ( 0.000 -2.951 -1.007) 3.118 3.032 ( 0.000 0.903 -1.993) 2.188 3.115 ( 0.000 -3.270 0.338) 3.287 3.129 ( 0.000 -1.280 2.681) 2.971 3.150 ( 0.000 -0.380 -2.572) 2.600 3.157 ( 0.000 3.990 -0.483) 4.019 3.166 ( 0.000 0.712 -0.235) 0.749 3.186 ( 0.000 3.121 -1.229) 3.354 3.209 ( 0.000 -1.242 3.101) 3.341 3.249 ( 0.000 -1.162 -0.059) 1.163 3.251 ( 0.000 -2.028 -0.274) 2.046 3.264 ( 0.000 0.196 -3.614) 3.619 3.366 ( 0.000 4.059 0.488) 4.088 3.371 ( 0.000 -1.593 5.088) 5.332 3.388 ( 0.000 2.103 -0.660) 2.205 3.428 ( 0.000 -2.734 -1.601) 3.169 3.433 ( 0.000 3.312 6.402) 7.208 3.463 ( 0.000 -0.267 4.145) 4.153 3.547 ( 0.000 -1.718 1.472) 2.262 3.552 ( 0.000 6.380 -3.102) 7.094 3.599 ( 0.000 0.402 -3.904) 3.924 3.600 ( 0.000 5.509 -0.528) 5.535 3.636 ( 0.000 -1.438 -4.298) 4.532 3.642 ( 0.000 4.473 -5.341) 6.967 3.740 ( 0.000 7.105 2.046) 7.394 3.750 ( 0.000 4.579 1.329) 4.768 3.767 ( 0.000 0.121 2.354) 2.357 3.800 ( 0.000 4.770 -3.382) 5.847 3.860 ( 0.000 8.579 -1.375) 8.689 3.894 ( 0.000 3.394 -2.769) 4.380 3.954 ( 0.000 1.475 3.303) 3.618 4.023 ( 0.000 -0.069 -2.342) 2.343 4.125 ( 0.000 -3.033 0.857) 3.152 4.136 ( 0.000 0.260 -0.187) 0.320 4.217 ( 0.000 -1.037 3.296) 3.455 4.257 ( 0.000 3.069 1.930) 3.625 4.287 ( 0.000 2.341 -2.028) 3.097 4.296 ( 0.000 0.021 -2.040) 2.040 4.323 ( 0.000 1.666 1.231) 2.071 4.349 ( 0.000 -0.768 1.799) 1.956 4.372 ( 0.000 -3.577 -0.412) 3.601 4.392 ( 0.000 -13.042 0.301) 13.045 4.403 ( 0.000 -6.417 0.222) 6.420 4.421 ( 0.000 3.412 -4.082) 5.320 4.442 ( 0.000 -1.799 1.841) 2.574 4.452 ( 0.000 -4.819 4.045) 6.292 4.478 ( 0.000 -12.299 0.910) 12.332 4.498 ( 0.000 -0.577 -3.568) 3.615 4.584 ( 0.000 -5.671 -0.201) 5.674 4.599 ( 0.000 -3.162 -1.027) 3.325 4.675 ( 0.000 -0.702 6.565) 6.602 4.705 ( 0.000 1.122 3.010) 3.212 4.743 ( 0.000 -1.235 -0.611) 1.378 4.758 ( 0.000 -7.730 0.092) 7.731 4.776 ( 0.000 -6.149 -1.551) 6.341 4.787 ( 0.000 4.227 -2.161) 4.747 4.896 ( 0.000 0.539 2.029) 2.099 4.947 ( 0.000 -1.167 -0.483) 1.263 4.965 ( 0.000 4.373 -1.036) 4.493 5.011 ( 0.000 1.479 -3.107) 3.441 5.108 ( 0.000 -1.747 0.909) 1.969 5.164 ( 0.000 -2.865 -5.071) 5.824 5.187 ( 0.000 -0.810 0.891) 1.204 5.204 ( 0.000 -1.429 -0.803) 1.639 5.226 ( 0.000 -1.766 0.738) 1.914 5.243 ( 0.000 -1.899 -0.905) 2.104 5.432 ( 0.000 5.516 0.588) 5.547 5.448 ( 0.000 2.642 -1.048) 2.842 5.505 ( 0.000 0.507 2.747) 2.794 5.543 ( 0.000 1.622 -0.963) 1.886 5.558 ( 0.000 2.732 1.127) 2.955 5.588 ( 0.000 5.504 -1.967) 5.845 5.646 ( 0.000 -3.021 2.016) 3.632 5.670 ( 0.000 8.786 2.210) 9.060 5.705 ( 0.000 -2.094 -3.731) 4.278 5.738 ( 0.000 7.813 -5.608) 9.617 5.825 ( 0.000 0.831 1.576) 1.781 5.844 ( 0.000 1.055 -0.544) 1.187 5.925 ( 0.000 7.449 2.312) 7.800 6.001 ( 0.000 11.865 -7.556) 14.067 6.076 ( 0.000 0.492 0.077) 0.498 6.093 ( 0.000 -1.142 -1.082) 1.574 6.126 ( 0.000 -2.712 0.736) 2.810 6.150 ( 0.000 -2.344 -1.663) 2.873 6.301 ( 0.000 -4.900 5.572) 7.420 6.402 ( 0.000 -3.922 -4.782) 6.184 6.582 ( 0.000 1.302 0.404) 1.363 6.603 ( 0.000 0.560 -1.551) 1.649 6.672 ( 0.000 -2.437 2.459) 3.462 6.735 ( 0.000 -2.761 -4.138) 4.974 6.752 ( 0.000 0.773 1.501) 1.689 6.780 ( 0.000 -0.123 -1.569) 1.574 6.831 ( 0.000 -4.186 2.841) 5.059 6.868 ( 0.000 -4.039 -1.292) 4.241 7.407 ( 0.000 0.603 7.200) 7.226 7.529 ( 0.000 -7.567 14.074) 15.980 7.535 ( 0.000 3.071 -6.040) 6.776 7.659 ( 0.000 1.623 -0.740) 1.784 7.766 ( 0.000 1.722 0.370) 1.761 7.852 ( 0.000 1.094 -4.425) 4.558 7.920 ( 0.000 -2.609 3.807) 4.615 7.994 ( 0.000 4.188 1.757) 4.542 8.001 ( 0.000 -2.142 -4.538) 5.018 8.038 ( 0.000 4.607 -2.330) 5.163 8.196 ( 0.000 -3.568 2.043) 4.111 8.236 ( 0.000 -3.263 -1.928) 3.790 8.279 ( 0.000 8.597 2.625) 8.988 8.334 ( 0.000 7.131 -1.702) 7.331 8.526 ( 0.000 -2.784 5.101) 5.811 8.611 ( 0.000 -2.990 -3.629) 4.702 9.176 ( 0.000 2.817 6.046) 6.670 9.292 ( 0.000 2.380 -5.604) 6.088 9.330 ( 0.000 -4.660 4.440) 6.437 9.381 ( 0.000 -2.116 -1.307) 2.487 9.545 ( 0.000 3.874 0.511) 3.907 9.563 ( 0.000 2.488 -0.880) 2.639 9.653 ( 0.000 -1.609 12.473) 12.576 9.895 ( 0.000 -6.841 -12.834) 14.544 11.669 ( 0.000 1.303 4.084) 4.287 11.691 ( 0.000 1.705 0.094) 1.708 11.744 ( 0.000 -2.229 3.553) 4.195 11.805 ( 0.000 -2.694 3.437) 4.367 11.842 ( 0.000 -3.729 -0.481) 3.760 11.859 ( 0.000 0.365 -7.884) 7.892 11.866 ( 0.000 -3.226 0.918) 3.354 11.922 ( 0.000 5.509 0.762) 5.561 11.923 ( 0.000 -0.614 -4.517) 4.558 11.937 ( 0.000 5.549 -0.824) 5.610 12.268 ( 0.000 -6.514 1.972) 6.806 12.313 ( 0.000 -8.079 -2.879) 8.577 12.467 ( 0.000 16.758 23.857) 29.155 12.903 ( 0.000 -4.769 9.858) 10.952 13.012 ( 0.000 17.925 -38.520) 42.486 13.090 ( 0.000 3.752 -9.613) 10.319 13.804 ( 0.000 4.592 7.220) 8.557 13.939 ( 0.000 6.385 -6.847) 9.362 14.212 ( 0.000 -14.494 9.950) 17.580 14.317 ( 0.000 -8.157 -3.954) 9.065 14.520 ( 0.000 1.257 2.551) 2.844 14.562 ( 0.000 1.067 -1.752) 2.052 14.563 ( 0.000 -1.110 6.392) 6.488 14.636 ( 0.000 -2.137 -2.200) 3.067 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.12 0.25 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 9.072 11.046 9.824) 17.344 0.657 ( 8.814 11.608 10.768) 18.121 0.783 ( 7.407 9.964 -9.020) 15.346 0.879 ( 8.772 8.872 -11.147) 16.731 1.025 ( 18.998 13.037 9.559) 24.945 1.080 ( 3.613 -6.687 13.057) 15.108 1.213 ( 9.946 6.598 -3.056) 12.321 1.268 ( 2.922 3.469 9.280) 10.329 1.307 ( 4.606 -9.854 2.201) 11.098 1.351 ( 2.558 -7.727 -8.076) 11.466 1.381 ( 3.173 -11.349 -3.959) 12.432 1.390 ( 5.757 2.554 -3.567) 7.238 1.427 ( 8.007 4.352 -3.489) 9.758 1.500 ( 2.798 2.052 -5.890) 6.836 1.575 ( 0.878 -3.088 1.481) 3.536 1.635 ( 1.030 -4.229 -3.274) 5.446 1.687 ( 4.611 -3.299 1.012) 5.760 1.697 ( 3.814 -1.935 -1.439) 4.512 1.723 ( 3.079 -5.857 -1.860) 6.873 1.757 ( 3.899 -7.385 -2.309) 8.664 2.033 ( -2.507 -0.317 4.163) 4.871 2.080 ( -2.701 0.491 0.741) 2.844 2.091 ( -1.566 0.461 1.131) 1.986 2.137 ( -0.759 0.714 -2.263) 2.491 2.260 ( -4.002 3.593 0.818) 5.440 2.281 ( -4.320 2.957 -0.862) 5.306 2.301 ( -1.304 3.896 1.258) 4.296 2.320 ( -2.952 1.336 -0.173) 3.244 2.337 ( -2.528 2.341 0.983) 3.583 2.356 ( -1.254 5.082 -1.355) 5.407 2.400 ( -2.411 2.040 1.190) 3.375 2.413 ( -3.373 3.816 0.279) 5.101 2.461 ( -4.733 -2.114 0.200) 5.188 2.491 ( -4.469 0.390 -1.386) 4.695 2.516 ( -2.864 -1.220 -0.068) 3.113 2.522 ( -2.978 0.670 -0.419) 3.081 2.548 ( -1.891 -3.786 0.957) 4.339 2.573 ( -3.367 -5.034 -0.109) 6.057 2.634 ( -0.408 -1.294 -0.091) 1.360 2.667 ( -2.328 -2.060 -2.012) 3.703 2.708 ( -0.866 1.619 0.955) 2.070 2.739 ( -0.791 0.873 -2.234) 2.526 2.767 ( 0.224 -1.297 2.345) 2.690 2.792 ( -1.058 -0.113 -0.376) 1.129 2.859 ( -1.318 -2.014 2.345) 3.360 2.863 ( 1.576 -3.243 2.450) 4.359 2.880 ( 0.092 -3.821 0.396) 3.843 2.914 ( -3.443 -0.507 -3.361) 4.838 3.014 ( 0.342 -0.762 0.345) 0.903 3.029 ( -2.728 1.011 2.369) 3.752 3.032 ( -0.117 -1.189 -1.400) 1.841 3.077 ( -3.506 1.367 -2.636) 4.595 3.086 ( 0.924 -2.264 -0.901) 2.606 3.100 ( 2.529 -0.917 -1.399) 3.033 3.121 ( -0.124 0.627 1.189) 1.350 3.140 ( -0.255 -3.237 0.997) 3.397 3.163 ( 0.511 4.402 -0.113) 4.433 3.182 ( 2.694 1.521 -0.871) 3.214 3.218 ( -1.170 -1.991 1.406) 2.703 3.240 ( -3.239 -1.050 -1.096) 3.577 3.281 ( 3.411 -2.001 0.759) 4.027 3.298 ( 2.854 -3.347 -0.481) 4.425 3.351 ( -3.071 -2.222 3.963) 5.484 3.371 ( -1.742 -0.391 0.405) 1.830 3.400 ( 1.694 1.934 3.651) 4.465 3.426 ( 2.443 1.121 2.003) 3.352 3.460 ( -1.301 0.622 3.086) 3.406 3.500 ( 3.738 1.988 2.110) 4.730 3.535 ( 1.956 6.948 -1.573) 7.388 3.546 ( -1.306 4.096 -0.546) 4.334 3.572 ( -2.444 2.967 -4.120) 5.635 3.594 ( 0.050 -0.396 1.391) 1.447 3.636 ( -0.875 0.221 -2.882) 3.020 3.643 ( 0.884 1.206 -3.290) 3.614 3.698 ( -1.773 6.239 -0.563) 6.511 3.715 ( -2.715 6.010 -1.984) 6.886 3.779 ( 1.001 5.542 1.870) 5.934 3.807 ( 0.826 2.730 -2.052) 3.514 3.844 ( -0.119 1.792 -0.191) 1.806 3.880 ( 1.311 4.555 -3.540) 5.916 4.017 ( -3.334 -4.036 3.650) 6.382 4.020 ( -3.855 -3.907 1.826) 5.785 4.094 ( -1.926 -1.268 -2.047) 3.083 4.103 ( -0.199 -3.935 -2.641) 4.743 4.186 ( -3.312 -0.532 0.691) 3.425 4.191 ( -5.192 -2.568 -0.026) 5.792 4.215 ( -2.395 2.498 0.598) 3.511 4.238 ( -6.728 -0.531 -0.922) 6.811 4.333 ( 0.833 -0.452 2.441) 2.619 4.341 ( -3.936 -6.723 -0.061) 7.791 4.353 ( -1.859 -3.638 -1.668) 4.413 4.378 ( 2.083 0.997 -0.718) 2.418 4.413 ( 0.073 -4.391 0.609) 4.433 4.428 ( 1.068 -4.351 3.026) 5.406 4.447 ( 2.476 0.061 0.241) 2.488 4.469 ( 1.213 0.892 2.383) 2.819 4.486 ( 1.401 -1.733 -2.774) 3.559 4.539 ( 1.933 -2.718 -1.954) 3.866 4.606 ( 1.928 -2.418 2.061) 3.717 4.624 ( 2.786 -7.405 0.676) 7.941 4.701 ( 1.723 -3.410 2.918) 4.807 4.727 ( -1.365 -4.350 0.823) 4.633 4.744 ( 2.788 -1.326 -0.301) 3.102 4.757 ( 0.923 -3.745 -1.965) 4.329 4.799 ( 3.847 -0.020 3.231) 5.024 4.856 ( 3.595 1.733 -1.188) 4.164 4.890 ( -0.358 2.443 1.490) 2.884 4.933 ( -0.805 -1.820 -0.792) 2.142 4.962 ( -0.574 4.743 -1.315) 4.955 4.986 ( -1.572 1.555 -2.090) 3.042 5.104 ( -2.810 -2.210 0.754) 3.654 5.157 ( -2.653 -2.547 -4.506) 5.816 5.179 ( -0.847 -0.039 0.084) 0.852 5.187 ( -0.065 -0.178 -1.051) 1.068 5.239 ( 2.581 -0.653 0.144) 2.666 5.243 ( 0.860 -0.893 -0.291) 1.274 5.434 ( -0.416 6.318 0.931) 6.400 5.448 ( -0.242 3.440 -0.330) 3.465 5.500 ( -0.898 1.200 1.638) 2.220 5.529 ( -1.161 2.162 -1.199) 2.731 5.568 ( 1.703 2.016 1.380) 2.978 5.587 ( 0.117 4.827 -0.276) 4.836 5.648 ( 0.507 2.616 0.614) 2.735 5.672 ( 1.837 4.978 -1.169) 5.433 5.709 ( 0.872 3.051 1.484) 3.503 5.751 ( 2.804 -1.343 -2.910) 4.259 5.842 ( 0.289 0.606 1.385) 1.539 5.861 ( -0.826 1.648 -0.552) 1.925 5.921 ( 0.604 4.915 0.848) 5.024 5.946 ( -3.553 7.893 -2.051) 8.895 6.032 ( -3.930 0.707 1.215) 4.174 6.052 ( -3.769 0.507 -1.000) 3.932 6.103 ( -2.647 -2.533 0.301) 3.676 6.122 ( -2.904 -2.305 -1.540) 4.015 6.238 ( -6.801 -5.841 4.941) 10.236 6.327 ( -8.498 -5.236 -4.243) 10.846 6.588 ( 1.056 1.852 0.549) 2.201 6.631 ( 0.920 1.079 -4.560) 4.775 6.699 ( 2.552 -0.989 0.967) 2.903 6.739 ( 0.657 -2.009 -3.325) 3.940 6.818 ( 4.543 -0.517 1.022) 4.685 6.841 ( 6.279 -1.550 -1.003) 6.545 6.897 ( 2.747 -3.669 0.552) 4.616 6.901 ( 7.366 -5.262 -0.973) 9.104 7.429 ( 2.268 0.517 5.789) 6.239 7.490 ( -1.044 0.854 4.790) 4.976 7.574 ( 0.103 -2.420 5.956) 6.430 7.667 ( 1.826 1.190 -2.038) 2.984 7.766 ( -0.055 0.909 -2.661) 2.813 7.829 ( -3.039 2.823 -5.537) 6.918 7.904 ( -1.628 -2.314 3.615) 4.591 7.990 ( -1.025 -1.401 -4.740) 5.048 8.037 ( 4.656 3.413 4.035) 7.043 8.099 ( 5.538 3.803 -2.015) 7.014 8.221 ( 2.795 1.966 2.473) 4.218 8.267 ( 3.560 4.035 -1.044) 5.481 8.328 ( 2.921 4.206 1.539) 5.347 8.364 ( 7.221 0.095 -1.400) 7.356 8.605 ( 4.390 -7.195 2.525) 8.798 8.658 ( 3.469 -4.578 -2.717) 6.354 9.153 ( -2.108 2.251 5.303) 6.135 9.254 ( -4.171 0.736 -2.617) 4.979 9.263 ( -5.922 -2.032 2.860) 6.883 9.329 ( -5.372 -1.735 -2.207) 6.061 9.499 ( -4.623 4.365 0.194) 6.361 9.504 ( -5.282 3.471 0.458) 6.337 9.600 ( -5.290 -1.274 6.566) 8.528 9.741 ( -12.389 -2.431 -7.188) 14.528 11.656 ( 1.298 4.451 2.479) 5.258 11.690 ( 0.653 2.191 -1.289) 2.625 11.735 ( 0.959 -0.481 2.227) 2.473 11.798 ( 0.225 -0.667 -3.767) 3.832 11.815 ( 0.552 -2.096 2.897) 3.618 11.883 ( 1.431 -0.662 -3.222) 3.587 11.953 ( 3.701 -3.183 3.094) 5.779 11.998 ( 5.899 2.393 -1.547) 6.551 12.006 ( 6.604 5.794 0.497) 8.799 12.050 ( 7.362 -1.486 -4.794) 8.910 12.372 ( 7.996 -6.182 1.162) 10.174 12.387 ( 10.471 -6.211 -0.912) 12.209 12.623 ( 11.961 5.967 18.667) 22.959 12.901 ( 0.948 -2.408 9.083) 9.445 12.980 ( -2.987 8.385 -13.383) 16.072 13.200 ( 9.278 2.345 -26.933) 28.583 13.817 ( 1.326 4.116 6.324) 7.661 13.938 ( -0.102 5.879 -6.235) 8.570 14.169 ( -3.889 -11.991 10.732) 16.555 14.285 ( -3.211 -7.328 -4.144) 9.010 14.439 ( -7.638 2.089 4.138) 8.935 14.490 ( -6.874 1.328 -1.454) 7.150 14.513 ( -4.799 -0.530 3.398) 5.905 14.566 ( -6.266 -1.050 -1.826) 6.611 ======================= Grid point 56 (23/30) ======================= q-point: ( 0.25 0.25 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 12.955 6.172 7.666) 16.269 0.873 ( 13.015 8.665 5.128) 16.455 0.970 ( 11.154 7.230 -6.700) 14.885 1.039 ( 8.831 6.665 -9.851) 14.814 1.183 ( 6.649 -6.497 10.191) 13.794 1.300 ( 6.253 3.885 8.656) 11.363 1.335 ( 4.236 -8.955 0.704) 9.931 1.371 ( 2.041 -7.612 -2.151) 8.169 1.432 ( 5.860 -3.653 -7.276) 10.031 1.451 ( 3.054 0.544 -7.276) 7.910 1.507 ( 10.446 1.254 2.068) 10.723 1.512 ( 14.591 4.840 4.152) 15.924 1.550 ( 4.427 -2.968 0.516) 5.355 1.615 ( 6.269 0.071 -3.709) 7.285 1.640 ( 5.013 2.886 -0.890) 5.853 1.660 ( 2.082 -1.062 -1.606) 2.836 1.754 ( 2.021 -1.459 0.227) 2.503 1.773 ( 1.818 -0.781 -1.589) 2.537 1.824 ( 7.574 -3.360 1.164) 8.367 1.834 ( 4.865 -1.222 0.264) 5.023 1.975 ( -3.356 3.839 1.952) 5.460 1.993 ( -5.336 6.255 -0.210) 8.224 2.055 ( -2.254 2.027 3.146) 4.369 2.108 ( -1.931 2.051 -2.578) 3.819 2.140 ( -5.745 3.296 1.251) 6.741 2.183 ( -4.862 1.194 -2.962) 5.816 2.247 ( -4.270 3.426 1.323) 5.632 2.268 ( -2.764 0.875 -0.083) 2.900 2.311 ( -1.547 2.405 1.561) 3.258 2.332 ( -3.854 0.993 0.062) 3.980 2.338 ( -2.271 1.698 -0.168) 2.840 2.349 ( -2.176 1.433 -1.497) 3.005 2.378 ( -2.145 -0.966 1.759) 2.938 2.403 ( -3.046 -0.137 -0.887) 3.176 2.458 ( -2.783 -2.767 -0.323) 3.937 2.462 ( -2.375 -1.669 -0.708) 2.988 2.524 ( -2.383 -3.350 0.559) 4.149 2.540 ( -1.490 -4.007 -0.665) 4.326 2.594 ( -3.522 -0.880 1.300) 3.856 2.612 ( -1.920 -1.409 -0.679) 2.476 2.678 ( -3.933 0.524 -0.615) 4.015 2.684 ( -2.079 -0.125 -1.144) 2.377 2.756 ( -2.827 -0.799 1.356) 3.236 2.782 ( -4.045 1.098 -0.672) 4.245 2.796 ( -3.574 1.146 1.309) 3.975 2.823 ( 0.306 -0.421 -0.535) 0.747 2.872 ( -3.181 0.487 1.648) 3.615 2.898 ( -2.295 0.640 -0.819) 2.519 2.943 ( 1.554 -1.928 1.709) 3.008 2.992 ( -2.701 -2.064 -2.931) 4.488 3.020 ( 0.040 -0.585 -0.181) 0.614 3.048 ( -2.222 1.123 -2.315) 3.399 3.100 ( -4.064 -3.058 -0.201) 5.090 3.104 ( -0.100 0.904 -0.471) 1.024 3.124 ( -0.918 -2.417 -0.803) 2.707 3.148 ( -1.816 -0.175 -1.812) 2.571 3.174 ( 2.134 0.289 0.231) 2.166 3.179 ( 0.718 1.491 -0.051) 1.655 3.212 ( 0.458 -1.589 0.347) 1.690 3.217 ( -2.487 0.635 0.047) 2.567 3.307 ( -0.963 -1.425 1.919) 2.577 3.325 ( -0.467 -7.276 1.989) 7.557 3.335 ( -1.172 -1.657 -0.180) 2.038 3.359 ( 2.837 -4.246 -2.070) 5.510 3.416 ( -0.600 -1.134 4.321) 4.508 3.444 ( 3.356 -1.133 5.848) 6.838 3.471 ( 2.610 0.876 1.432) 3.103 3.517 ( -0.724 4.058 -1.369) 4.343 3.537 ( -0.438 2.065 0.444) 2.157 3.552 ( 3.863 2.046 -2.488) 5.030 3.564 ( -1.406 0.926 0.890) 1.905 3.597 ( -1.437 1.356 -2.791) 3.419 3.647 ( -2.114 6.988 1.464) 7.446 3.680 ( 1.251 5.149 -0.355) 5.310 3.699 ( 1.128 3.116 -1.032) 3.471 3.710 ( 5.947 3.776 -1.629) 7.231 3.768 ( -3.090 -0.501 -1.543) 3.490 3.785 ( -1.062 1.989 -0.284) 2.273 3.860 ( -3.779 -1.694 2.238) 4.707 3.873 ( -0.359 -0.971 1.232) 1.610 3.905 ( -1.001 -1.608 -0.559) 1.975 3.946 ( -1.215 0.690 -3.432) 3.706 4.041 ( -2.820 -0.511 2.692) 3.932 4.080 ( -4.866 -6.107 0.496) 7.824 4.106 ( -4.333 -4.846 -0.875) 6.559 4.121 ( 0.501 -5.158 0.956) 5.270 4.174 ( -1.057 -1.717 1.478) 2.500 4.189 ( -1.006 -1.824 -2.207) 3.034 4.289 ( -0.843 -1.633 -1.663) 2.478 4.294 ( -1.659 -0.017 -1.755) 2.415 4.376 ( -1.187 -1.509 1.413) 2.384 4.401 ( 1.508 0.229 -0.855) 1.749 4.420 ( -0.033 -0.560 1.537) 1.636 4.438 ( 0.478 2.024 2.429) 3.198 4.486 ( 0.046 2.144 -1.154) 2.435 4.509 ( 2.018 -1.626 -1.076) 2.806 4.521 ( 3.296 1.002 0.091) 3.447 4.562 ( 1.711 0.204 -2.379) 2.937 4.647 ( 0.369 -6.220 2.037) 6.556 4.657 ( 0.074 -7.672 0.681) 7.702 4.713 ( 1.308 -4.347 2.069) 4.989 4.730 ( 0.939 -4.857 -0.267) 4.954 4.766 ( 1.492 -4.022 -0.239) 4.296 4.800 ( 1.199 0.539 -2.285) 2.636 4.860 ( -0.758 0.760 1.268) 1.661 4.876 ( -0.547 0.851 -0.622) 1.187 4.890 ( -0.742 -1.528 1.763) 2.448 4.924 ( 0.041 2.987 -0.129) 2.990 4.954 ( -0.672 1.376 0.852) 1.753 4.980 ( 2.256 1.879 -0.251) 2.946 4.990 ( -6.731 -0.435 2.994) 7.380 5.100 ( -0.913 0.577 -6.986) 7.069 5.197 ( 2.398 3.267 2.013) 4.525 5.225 ( 3.601 2.107 -0.473) 4.199 5.287 ( 3.383 1.098 -0.118) 3.558 5.301 ( 3.642 -0.115 -1.307) 3.871 5.392 ( -3.482 7.795 0.860) 8.580 5.412 ( -3.359 5.692 -1.182) 6.714 5.493 ( 0.486 0.277 0.928) 1.084 5.519 ( -0.063 1.342 -1.515) 2.025 5.609 ( 1.783 3.127 0.785) 3.684 5.622 ( 2.313 0.795 -0.566) 2.511 5.679 ( 2.108 1.168 3.265) 4.058 5.720 ( 1.204 1.676 0.805) 2.215 5.737 ( 1.741 2.060 0.699) 2.786 5.774 ( -1.028 1.067 -1.541) 2.138 5.802 ( -3.216 1.955 -0.200) 3.769 5.818 ( -1.910 1.067 -1.357) 2.575 5.917 ( -0.190 -0.373 1.827) 1.875 5.937 ( -0.973 -0.305 0.485) 1.129 5.952 ( -3.393 1.104 1.227) 3.773 5.972 ( -4.103 2.096 -0.935) 4.702 6.021 ( -5.873 -2.999 -0.518) 6.615 6.044 ( -4.927 -2.875 -2.555) 6.250 6.092 ( -6.583 -3.446 2.398) 7.807 6.137 ( -9.023 -4.144 -2.338) 10.200 6.633 ( 3.647 2.391 -0.030) 4.361 6.652 ( 1.925 2.135 -1.894) 3.443 6.754 ( 2.977 -0.029 -1.147) 3.191 6.759 ( 1.327 -0.240 -1.611) 2.101 6.924 ( 5.238 -1.058 3.320) 6.291 6.943 ( 4.146 -3.183 2.298) 5.710 6.968 ( 5.238 -3.703 1.278) 6.541 7.037 ( 5.651 -3.318 -5.756) 8.722 7.473 ( 1.641 1.029 4.526) 4.923 7.500 ( 1.857 2.638 2.343) 3.987 7.548 ( -1.309 1.994 9.139) 9.445 7.703 ( -0.118 1.895 -5.751) 6.056 7.766 ( -2.261 0.018 -4.258) 4.821 7.778 ( 1.655 -1.761 -4.997) 5.550 7.859 ( -2.740 -4.398 4.061) 6.583 7.948 ( -3.051 -3.330 -5.002) 6.739 8.155 ( 6.958 5.077 4.900) 9.909 8.222 ( 6.239 5.341 -1.039) 8.278 8.291 ( 4.196 7.004 0.955) 8.220 8.340 ( 3.276 8.040 -2.939) 9.166 8.427 ( 6.821 -2.009 6.466) 9.611 8.537 ( 9.030 -4.262 -4.859) 11.105 8.638 ( -0.640 -7.360 3.746) 8.283 8.700 ( 0.753 -5.446 -2.697) 6.123 9.108 ( -2.973 1.033 4.040) 5.121 9.126 ( -5.862 0.830 3.515) 6.886 9.180 ( -3.994 1.405 -3.443) 5.457 9.190 ( -8.248 0.346 -2.770) 8.707 9.394 ( -5.728 3.662 0.107) 6.799 9.396 ( -5.577 2.609 0.046) 6.158 9.472 ( -7.517 -1.205 1.699) 7.800 9.512 ( -10.959 -1.031 -2.279) 11.241 11.719 ( 4.213 3.251 0.708) 5.368 11.730 ( 3.148 0.930 -0.310) 3.297 11.770 ( 2.300 0.497 1.356) 2.716 11.823 ( 1.368 -0.802 -4.102) 4.398 11.843 ( 2.780 -0.750 2.979) 4.144 11.904 ( 0.560 -0.960 -3.374) 3.552 12.011 ( 2.759 -1.289 5.039) 5.888 12.091 ( 3.375 -0.094 -3.613) 4.945 12.160 ( 9.343 6.255 0.614) 11.260 12.180 ( 7.903 4.240 -1.334) 9.067 12.523 ( 3.846 -7.861 2.975) 9.243 12.570 ( 5.286 -9.786 -2.283) 11.354 12.812 ( 10.586 4.033 5.635) 12.652 12.917 ( 1.149 9.091 -4.774) 10.332 13.037 ( 9.547 -2.043 12.567) 15.914 13.353 ( 5.574 -5.800 -21.043) 22.528 13.853 ( 2.433 3.269 4.226) 5.871 13.937 ( 0.146 4.710 -4.511) 6.523 14.096 ( -3.045 -7.030 9.200) 11.972 14.207 ( -4.544 -5.028 -3.870) 7.804 14.278 ( -8.597 2.453 3.440) 9.579 14.330 ( -9.187 1.887 -1.787) 9.547 14.398 ( -7.014 -1.699 1.641) 7.401 14.425 ( -8.091 -1.345 -1.142) 8.282 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.38 0.25 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 13.304 4.483 4.292) 14.680 1.121 ( 12.473 6.521 2.565) 14.307 1.172 ( 9.353 5.983 -3.829) 11.745 1.213 ( 8.858 5.684 -6.254) 12.243 1.296 ( 3.681 -1.492 4.633) 6.103 1.352 ( 0.757 2.474 4.027) 4.786 1.388 ( 2.053 -1.293 -1.173) 2.694 1.415 ( 1.346 -0.828 2.471) 2.933 1.476 ( -0.332 0.718 -3.760) 3.843 1.499 ( 1.875 -2.529 -6.839) 7.529 1.562 ( -2.626 -0.476 1.369) 3.000 1.581 ( -3.582 -1.506 -0.788) 3.964 1.658 ( 0.337 -0.906 0.992) 1.385 1.676 ( 2.363 -0.876 -0.441) 2.559 1.710 ( -4.065 -0.621 1.418) 4.350 1.743 ( -1.445 0.539 -2.041) 2.558 1.783 ( 5.708 3.388 1.372) 6.778 1.797 ( 6.530 3.704 0.127) 7.508 1.917 ( 0.125 5.844 1.214) 5.970 1.930 ( 0.241 4.454 -0.277) 4.469 1.965 ( 6.503 1.849 2.580) 7.236 1.986 ( 6.220 1.628 1.468) 6.595 2.031 ( 0.396 1.051 2.077) 2.362 2.074 ( -1.214 0.855 -2.037) 2.520 2.100 ( 0.593 1.078 0.520) 1.336 2.109 ( -3.050 -0.413 -1.220) 3.311 2.177 ( -2.450 2.328 -0.847) 3.484 2.196 ( -4.395 -0.183 -2.044) 4.851 2.255 ( -2.254 -1.390 1.553) 3.070 2.279 ( -2.620 -1.675 -0.643) 3.176 2.308 ( -2.629 -0.406 -0.009) 2.660 2.316 ( -2.395 0.505 -0.934) 2.620 2.364 ( 0.534 -1.246 1.039) 1.708 2.373 ( 0.747 -4.333 0.668) 4.447 2.421 ( -1.052 -4.543 -1.437) 4.879 2.436 ( -0.953 -2.577 -2.990) 4.060 2.480 ( -0.486 -1.486 1.724) 2.328 2.514 ( -1.135 -2.191 -1.540) 2.909 2.543 ( -1.203 -1.410 3.098) 3.610 2.584 ( -0.271 1.116 -0.942) 1.485 2.628 ( -0.724 1.950 2.160) 2.999 2.655 ( -2.924 -0.281 -0.378) 2.962 2.673 ( -5.016 1.480 1.291) 5.387 2.713 ( -1.861 1.632 2.051) 3.214 2.718 ( -1.373 0.545 -1.416) 2.046 2.775 ( -4.097 1.634 -2.805) 5.227 2.841 ( -2.191 0.221 3.236) 3.914 2.885 ( -7.916 -2.626 -0.609) 8.362 2.928 ( -0.904 -1.667 -1.079) 2.182 2.939 ( -0.702 -2.683 -1.673) 3.238 2.997 ( -2.190 -1.351 0.781) 2.689 3.007 ( -0.735 -0.507 0.396) 0.977 3.054 ( -1.439 0.647 -1.274) 2.028 3.071 ( 1.831 -1.734 -2.075) 3.266 3.112 ( -0.230 0.608 1.509) 1.643 3.145 ( 0.415 -0.792 0.483) 1.017 3.147 ( -1.603 0.010 1.450) 2.162 3.185 ( -2.191 -0.787 -0.316) 2.350 3.198 ( -1.209 0.273 -0.434) 1.313 3.229 ( 0.051 -0.974 -1.261) 1.594 3.289 ( -0.663 -3.620 0.581) 3.726 3.295 ( -1.562 -3.470 0.890) 3.908 3.319 ( -2.881 -3.732 -2.369) 5.277 3.337 ( 1.087 -2.878 -2.445) 3.929 3.453 ( -1.097 -0.112 -0.118) 1.109 3.466 ( 1.142 -0.842 1.338) 1.950 3.488 ( 0.294 -0.119 1.105) 1.150 3.539 ( 0.268 -2.293 1.425) 2.713 3.548 ( 1.633 -2.068 1.304) 2.940 3.569 ( 1.052 -0.450 -3.657) 3.831 3.591 ( -0.211 -0.165 0.893) 0.933 3.622 ( 5.064 0.196 1.164) 5.200 3.644 ( 1.868 7.648 0.926) 7.927 3.666 ( -0.990 4.211 -0.437) 4.348 3.718 ( 1.448 2.112 -1.505) 2.971 3.721 ( 2.737 0.223 -2.047) 3.425 3.790 ( 0.667 2.190 -0.193) 2.297 3.806 ( 1.876 2.599 -0.622) 3.265 3.844 ( -1.616 -1.278 2.090) 2.935 3.862 ( -3.628 -2.296 -0.789) 4.365 3.916 ( -1.130 3.437 2.544) 4.423 3.936 ( 5.778 2.234 1.863) 6.468 3.976 ( -3.323 -0.478 0.186) 3.363 4.027 ( 0.273 -0.168 -2.016) 2.041 4.099 ( 1.213 -5.073 1.571) 5.448 4.138 ( 0.752 -3.876 0.887) 4.046 4.157 ( -1.106 -7.043 3.153) 7.795 4.191 ( 3.317 1.038 2.439) 4.245 4.250 ( -2.512 -0.260 -0.474) 2.569 4.317 ( 1.391 2.024 -3.951) 4.652 4.341 ( -0.077 1.211 0.877) 1.497 4.375 ( -3.903 -0.552 0.791) 4.020 4.394 ( -2.736 2.873 -0.257) 3.975 4.443 ( -2.710 1.753 -2.927) 4.357 4.458 ( -3.585 2.066 1.358) 4.355 4.510 ( -0.544 -0.425 -3.130) 3.206 4.567 ( 2.107 -1.231 -1.505) 2.867 4.583 ( 1.146 -5.772 -1.782) 6.148 4.664 ( 2.689 -6.471 1.890) 7.258 4.680 ( -0.217 -3.924 1.073) 4.074 4.714 ( -2.060 -7.250 1.745) 7.736 4.742 ( 0.485 -2.262 1.670) 2.853 4.766 ( -3.866 -2.121 -1.624) 4.700 4.790 ( -0.663 -3.222 -1.898) 3.798 4.823 ( -0.751 -0.446 0.937) 1.281 4.839 ( -0.275 -1.315 0.029) 1.344 4.879 ( 0.322 -1.478 0.706) 1.670 4.906 ( -1.115 -0.431 -1.099) 1.623 4.949 ( 2.000 3.987 0.662) 4.509 4.961 ( 3.412 3.536 -0.240) 4.920 5.059 ( 2.038 1.128 1.022) 2.544 5.106 ( -0.455 0.679 -4.062) 4.143 5.246 ( 2.178 5.268 3.530) 6.705 5.287 ( 1.874 4.967 0.083) 5.310 5.312 ( -1.128 6.888 2.328) 7.358 5.325 ( -2.006 8.625 1.117) 8.925 5.382 ( 3.779 1.571 -1.243) 4.277 5.408 ( 4.200 -0.018 -2.714) 5.001 5.500 ( -0.065 -0.965 -1.280) 1.604 5.512 ( -0.743 0.177 -1.904) 2.052 5.616 ( -1.423 2.237 0.387) 2.679 5.623 ( -0.776 2.127 -0.263) 2.279 5.682 ( -3.861 1.782 1.619) 4.550 5.703 ( -2.950 1.134 -0.509) 3.201 5.739 ( 1.897 -1.535 2.974) 3.847 5.768 ( 0.945 0.637 1.089) 1.576 5.789 ( 0.960 -1.565 0.249) 1.853 5.811 ( 0.359 1.598 -0.831) 1.837 5.840 ( -4.883 -1.295 1.154) 5.182 5.872 ( -4.785 -0.212 -1.130) 4.922 5.891 ( -4.249 -0.164 -0.220) 4.257 5.905 ( -4.013 0.641 -0.934) 4.169 5.958 ( 0.853 -3.300 1.899) 3.902 5.995 ( -0.691 -3.350 -0.476) 3.454 6.019 ( -1.143 -2.376 -0.890) 2.783 6.044 ( -1.855 -2.920 -1.765) 3.884 6.701 ( 3.384 2.732 0.237) 4.355 6.723 ( 4.839 2.910 -2.326) 6.107 6.776 ( 0.225 1.319 0.369) 1.388 6.802 ( 1.574 0.989 -2.627) 3.218 6.991 ( 2.331 -1.281 6.113) 6.667 7.009 ( 2.344 -1.623 3.870) 4.807 7.061 ( 3.888 -4.345 -0.994) 5.915 7.107 ( 1.724 -2.395 -5.319) 6.082 7.497 ( 1.027 3.572 4.094) 5.529 7.516 ( -0.002 3.318 5.435) 6.368 7.563 ( 2.470 0.796 1.095) 2.816 7.668 ( -2.472 4.005 -6.174) 7.763 7.740 ( -0.804 -1.018 0.588) 1.424 7.807 ( -2.920 -4.798 3.141) 6.435 7.814 ( 1.594 -4.521 -6.058) 7.725 7.890 ( -2.847 -4.693 -5.069) 7.472 8.273 ( 4.961 6.057 4.202) 8.886 8.309 ( 2.961 6.506 2.226) 7.487 8.366 ( 3.181 7.066 -2.382) 8.107 8.387 ( 1.700 7.741 -2.910) 8.443 8.536 ( 3.975 -3.219 7.308) 8.920 8.607 ( -1.875 -5.204 5.868) 8.064 8.662 ( 3.576 -4.636 -5.867) 8.289 8.699 ( -0.190 -5.833 -3.678) 6.898 9.037 ( -1.780 3.152 1.386) 3.876 9.060 ( -3.562 2.793 -0.848) 4.605 9.079 ( -2.470 2.220 1.394) 3.602 9.112 ( -3.331 2.145 -1.837) 4.367 9.301 ( -3.568 0.797 0.239) 3.664 9.307 ( -3.348 -0.076 -0.447) 3.379 9.344 ( -5.297 -1.185 0.003) 5.428 9.346 ( -6.024 -1.089 -0.137) 6.123 11.775 ( 1.596 -0.777 1.807) 2.533 11.787 ( 2.631 -0.328 0.502) 2.698 11.811 ( 0.925 1.084 -0.369) 1.472 11.834 ( -0.181 -0.557 -2.855) 2.915 11.924 ( 4.088 -1.738 -0.256) 4.449 11.926 ( 4.378 -1.606 -0.567) 4.698 12.043 ( -0.125 -3.049 4.724) 5.624 12.121 ( -0.878 -3.668 -3.624) 5.231 12.328 ( 7.595 6.357 1.062) 9.961 12.344 ( 8.341 7.718 -0.087) 11.364 12.510 ( -2.580 -0.344 2.289) 3.466 12.566 ( -3.472 0.217 -3.415) 4.875 13.034 ( 9.175 3.189 0.806) 9.746 13.056 ( 13.063 -0.438 -1.150) 13.121 13.184 ( 4.373 -3.674 9.627) 11.194 13.388 ( -2.114 -7.191 -11.618) 13.826 13.910 ( 3.715 2.667 1.840) 4.929 13.948 ( 1.285 3.533 -2.168) 4.339 14.066 ( -1.029 -2.076 3.592) 4.274 14.122 ( -4.721 -0.131 -0.991) 4.826 14.134 ( -5.802 0.784 1.510) 6.047 14.176 ( -5.044 -0.967 -1.124) 5.257 14.262 ( -6.787 -2.652 0.721) 7.322 14.276 ( -7.275 -2.245 -0.615) 7.638 ======================= Grid point 58 (25/30) ======================= q-point: (-0.50 0.25 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -3.625 4.430 0.619) 5.757 1.289 ( 3.625 4.430 0.619) 5.757 1.302 ( -3.370 4.717 -0.083) 5.798 1.302 ( 3.370 4.717 -0.083) 5.798 1.338 ( -6.448 4.894 0.367) 8.103 1.338 ( 6.448 4.894 0.367) 8.103 1.360 ( -3.766 5.027 -1.229) 6.400 1.360 ( 3.766 5.027 -1.229) 6.400 1.509 ( -3.179 1.076 0.353) 3.375 1.509 ( 3.179 1.076 0.353) 3.375 1.516 ( -1.806 1.226 -0.042) 2.183 1.516 ( 1.806 1.226 -0.042) 2.183 1.657 ( -0.991 -2.654 0.738) 2.927 1.657 ( 0.991 -2.654 0.738) 2.927 1.688 ( -2.350 -2.299 -2.943) 4.413 1.688 ( 2.350 -2.299 -2.943) 4.413 1.866 ( -1.409 3.593 3.397) 5.141 1.866 ( 1.409 3.593 3.397) 5.141 1.916 ( -0.548 3.485 -2.075) 4.093 1.916 ( 0.548 3.485 -2.075) 4.093 2.042 ( -2.111 -0.227 3.185) 3.828 2.042 ( 2.111 -0.227 3.185) 3.828 2.066 ( -1.809 -0.696 1.509) 2.457 2.066 ( 1.809 -0.696 1.509) 2.457 2.114 ( -4.432 0.268 -1.719) 4.761 2.114 ( 4.432 0.268 -1.719) 4.761 2.137 ( -2.603 1.275 -3.104) 4.248 2.137 ( 2.603 1.275 -3.104) 4.248 2.231 ( -0.272 -1.517 2.830) 3.223 2.231 ( 0.272 -1.517 2.830) 3.223 2.282 ( -0.702 -2.129 -2.884) 3.653 2.282 ( 0.702 -2.129 -2.884) 3.653 2.389 ( -1.002 -4.064 1.305) 4.385 2.389 ( 1.002 -4.064 1.305) 4.385 2.409 ( -0.752 -4.298 -1.101) 4.500 2.409 ( 0.752 -4.298 -1.101) 4.500 2.509 ( -1.880 -0.308 2.333) 3.012 2.509 ( 1.880 -0.308 2.333) 3.012 2.553 ( -3.813 -0.387 -1.958) 4.303 2.553 ( 3.813 -0.387 -1.958) 4.303 2.630 ( -1.166 0.181 1.016) 1.557 2.630 ( 1.166 0.181 1.016) 1.557 2.651 ( -4.648 -0.475 -1.535) 4.918 2.651 ( 4.648 -0.475 -1.535) 4.918 2.727 ( -3.978 2.152 2.586) 5.209 2.727 ( 3.978 2.152 2.586) 5.209 2.779 ( -3.111 0.673 -2.943) 4.335 2.779 ( 3.111 0.673 -2.943) 4.335 2.935 ( -2.741 -1.683 2.960) 4.371 2.935 ( 2.741 -1.683 2.960) 4.371 2.973 ( -1.717 -1.642 -0.854) 2.524 2.973 ( 1.717 -1.642 -0.854) 2.524 3.084 ( -3.189 -1.437 3.543) 4.978 3.084 ( 3.189 -1.437 3.543) 4.978 3.119 ( -1.823 0.368 1.162) 2.192 3.119 ( 1.823 0.368 1.162) 2.192 3.160 ( -1.405 2.280 -1.047) 2.875 3.160 ( 1.405 2.280 -1.047) 2.875 3.191 ( -1.609 -2.315 -3.317) 4.354 3.191 ( 1.609 -2.315 -3.317) 4.354 3.273 ( -0.528 -2.252 0.785) 2.442 3.273 ( 0.528 -2.252 0.785) 2.442 3.328 ( -2.113 -3.859 -4.526) 6.312 3.328 ( 2.113 -3.859 -4.526) 6.312 3.475 ( -1.342 -1.109 0.665) 1.864 3.475 ( 1.342 -1.109 0.665) 1.864 3.507 ( -1.868 -0.947 -2.371) 3.164 3.507 ( 1.868 -0.947 -2.371) 3.164 3.553 ( -2.267 -1.932 3.838) 4.858 3.553 ( 2.267 -1.932 3.838) 4.858 3.633 ( -2.013 0.022 -3.812) 4.311 3.633 ( 2.013 0.022 -3.812) 4.311 3.704 ( -0.668 2.448 1.662) 3.033 3.704 ( 0.668 2.448 1.662) 3.033 3.733 ( -1.896 5.159 -1.118) 5.609 3.733 ( 1.896 5.159 -1.118) 5.609 3.791 ( -3.978 -0.786 2.508) 4.768 3.791 ( 3.978 -0.786 2.508) 4.768 3.834 ( -1.555 -0.768 -1.681) 2.415 3.834 ( 1.555 -0.768 -1.681) 2.415 3.924 ( -1.154 0.866 5.910) 6.084 3.924 ( 1.154 0.866 5.910) 6.084 4.021 ( -2.264 4.635 -4.021) 6.540 4.021 ( 2.264 4.635 -4.021) 6.540 4.135 ( -1.820 -4.183 3.485) 5.740 4.135 ( 1.820 -4.183 3.485) 5.740 4.195 ( -4.838 -1.675 -1.370) 5.300 4.195 ( 4.838 -1.675 -1.370) 5.300 4.257 ( -5.566 1.165 2.679) 6.286 4.257 ( 5.566 1.165 2.679) 6.286 4.322 ( -3.021 0.105 -2.759) 4.092 4.322 ( 3.021 0.105 -2.759) 4.092 4.417 ( -2.781 -0.237 2.283) 3.605 4.417 ( 2.781 -0.237 2.283) 3.605 4.444 ( -5.934 1.017 -0.954) 6.095 4.444 ( 5.934 1.017 -0.954) 6.095 4.603 ( -2.315 -2.331 -0.122) 3.287 4.603 ( 2.315 -2.331 -0.122) 3.287 4.649 ( -5.243 -4.478 -4.587) 8.282 4.649 ( 5.243 -4.478 -4.587) 8.282 4.716 ( -1.887 -5.294 3.331) 6.533 4.716 ( 1.887 -5.294 3.331) 6.533 4.774 ( -2.028 -3.311 -3.002) 4.908 4.774 ( 2.028 -3.311 -3.002) 4.908 4.840 ( -0.873 -0.919 2.991) 3.248 4.840 ( 0.873 -0.919 2.991) 3.248 4.885 ( -0.890 -0.368 -1.841) 2.077 4.885 ( 0.890 -0.368 -1.841) 2.077 5.019 ( -3.135 2.575 1.402) 4.292 5.019 ( 3.135 2.575 1.402) 4.292 5.053 ( -3.525 1.544 -2.213) 4.439 5.053 ( 3.525 1.544 -2.213) 4.439 5.287 ( -1.958 6.578 2.565) 7.327 5.287 ( 1.958 6.578 2.565) 7.327 5.305 ( -0.914 7.391 0.839) 7.495 5.305 ( 0.914 7.391 0.839) 7.495 5.450 ( -2.012 -0.826 0.792) 2.315 5.450 ( 2.012 -0.826 0.792) 2.315 5.495 ( -1.062 -0.371 -4.135) 4.285 5.495 ( 1.062 -0.371 -4.135) 4.285 5.615 ( -1.870 1.679 1.367) 2.861 5.615 ( 1.870 1.679 1.367) 2.861 5.636 ( -2.286 2.189 -0.940) 3.302 5.636 ( 2.286 2.189 -0.940) 3.302 5.773 ( -0.579 -1.349 2.478) 2.880 5.773 ( 0.579 -1.349 2.478) 2.880 5.796 ( -1.625 -1.880 1.154) 2.740 5.796 ( 1.625 -1.880 1.154) 2.740 5.826 ( -1.255 1.815 -0.850) 2.365 5.826 ( 1.255 1.815 -0.850) 2.365 5.846 ( -1.868 -0.646 -1.529) 2.499 5.846 ( 1.868 -0.646 -1.529) 2.499 5.979 ( -1.031 -2.968 2.034) 3.743 5.979 ( 1.031 -2.968 2.034) 3.743 6.023 ( -0.768 -3.142 -2.416) 4.037 6.023 ( 0.768 -3.142 -2.416) 4.037 6.758 ( -2.184 2.357 1.049) 3.380 6.758 ( 2.184 2.357 1.049) 3.380 6.797 ( -2.328 2.170 -3.406) 4.661 6.797 ( 2.328 2.170 -3.406) 4.661 7.023 ( -0.822 -1.237 5.988) 6.170 7.023 ( 0.822 -1.237 5.988) 6.170 7.110 ( -1.241 -3.249 -3.489) 4.926 7.110 ( 1.241 -3.249 -3.489) 4.926 7.512 ( -0.548 3.834 5.403) 6.647 7.512 ( 0.548 3.834 5.403) 6.647 7.617 ( -2.915 1.900 -5.267) 6.312 7.617 ( 2.915 1.900 -5.267) 6.312 7.750 ( -2.152 -2.342 3.714) 4.890 7.750 ( 2.152 -2.342 3.714) 4.890 7.846 ( -1.828 -4.653 -5.879) 7.717 7.846 ( 1.828 -4.653 -5.879) 7.717 8.331 ( -0.930 6.657 3.692) 7.669 8.331 ( 0.930 6.657 3.692) 7.669 8.400 ( -0.450 6.848 -3.281) 7.607 8.400 ( 0.450 6.848 -3.281) 7.607 8.580 ( -1.265 -3.814 6.974) 8.049 8.580 ( 1.265 -3.814 6.974) 8.049 8.694 ( -0.829 -5.347 -4.887) 7.292 8.694 ( 0.829 -5.347 -4.887) 7.292 9.040 ( -0.846 3.482 0.477) 3.615 9.040 ( 0.846 3.482 0.477) 3.615 9.051 ( -2.326 3.602 -0.659) 4.338 9.051 ( 2.326 3.602 -0.659) 4.338 9.278 ( -0.742 -1.202 0.270) 1.438 9.278 ( 0.742 -1.202 0.270) 1.438 9.285 ( -0.272 -1.417 -0.395) 1.497 9.285 ( 0.272 -1.417 -0.395) 1.497 11.802 ( -1.233 -0.451 0.812) 1.543 11.802 ( 1.233 -0.451 0.812) 1.543 11.821 ( -1.146 -0.374 -1.241) 1.730 11.821 ( 1.146 -0.374 -1.241) 1.730 11.996 ( -4.029 -3.762 2.935) 6.245 11.996 ( 4.029 -3.762 2.935) 6.245 12.049 ( -6.005 -4.549 -2.582) 7.964 12.049 ( 6.005 -4.549 -2.582) 7.964 12.431 ( -2.267 6.804 3.039) 7.789 12.431 ( 2.267 6.804 3.039) 7.789 12.493 ( -3.425 5.829 -3.342) 7.541 12.493 ( 3.425 5.829 -3.342) 7.541 13.177 ( -4.556 -1.802 5.065) 7.047 13.177 ( 4.556 -1.802 5.065) 7.047 13.277 ( -9.073 -4.473 -5.235) 11.390 13.277 ( 9.073 -4.473 -5.235) 11.390 13.996 ( -3.871 2.692 0.175) 4.718 13.996 ( 3.871 2.692 0.175) 4.718 14.002 ( -5.868 2.361 -0.364) 6.336 14.002 ( 5.868 2.361 -0.364) 6.336 14.151 ( -4.626 -2.717 1.350) 5.532 14.151 ( 4.626 -2.717 1.350) 5.532 14.170 ( -3.104 -2.908 -0.659) 4.304 14.170 ( 3.104 -2.908 -0.659) 4.304 ======================= Grid point 63 (26/30) ======================= q-point: ( 0.00 -0.50 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 -7.239 14.890) 16.556 0.805 ( 0.000 7.239 14.890) 16.556 0.908 ( 0.000 -15.521 6.701) 16.906 0.908 ( 0.000 15.521 6.701) 16.906 1.024 ( 0.000 -2.271 -7.699) 8.027 1.024 ( 0.000 2.271 -7.699) 8.027 1.100 ( 0.000 -2.250 -7.218) 7.560 1.100 ( 0.000 2.250 -7.218) 7.560 1.277 ( 0.000 -18.744 2.287) 18.883 1.277 ( 0.000 18.744 2.287) 18.883 1.323 ( 0.000 -10.549 1.591) 10.668 1.323 ( 0.000 10.549 1.591) 10.668 1.425 ( 0.000 -7.017 5.092) 8.670 1.425 ( 0.000 7.017 5.092) 8.670 1.488 ( 0.000 -6.567 -7.051) 9.635 1.488 ( 0.000 6.567 -7.051) 9.635 1.563 ( 0.000 -3.361 -1.985) 3.903 1.563 ( 0.000 3.361 -1.985) 3.903 1.612 ( 0.000 -3.377 -7.084) 7.848 1.612 ( 0.000 3.377 -7.084) 7.848 2.065 ( 0.000 -1.517 4.987) 5.213 2.065 ( 0.000 1.517 4.987) 5.213 2.145 ( 0.000 -1.242 -2.968) 3.217 2.145 ( 0.000 1.242 -2.968) 3.217 2.331 ( 0.000 -3.452 3.451) 4.882 2.331 ( 0.000 3.452 3.451) 4.882 2.396 ( 0.000 -2.405 -2.513) 3.478 2.396 ( 0.000 2.405 -2.513) 3.478 2.432 ( 0.000 -3.276 0.856) 3.386 2.432 ( 0.000 3.276 0.856) 3.386 2.440 ( 0.000 -4.856 1.220) 5.007 2.440 ( 0.000 4.856 1.220) 5.007 2.504 ( 0.000 -2.813 -0.075) 2.814 2.504 ( 0.000 2.813 -0.075) 2.814 2.533 ( 0.000 -3.234 -1.809) 3.706 2.533 ( 0.000 3.234 -1.809) 3.706 2.607 ( 0.000 -4.408 0.268) 4.416 2.607 ( 0.000 4.408 0.268) 4.416 2.620 ( 0.000 -5.733 -1.177) 5.853 2.620 ( 0.000 5.733 -1.177) 5.853 2.725 ( 0.000 -1.693 2.508) 3.026 2.725 ( 0.000 1.693 2.508) 3.026 2.754 ( 0.000 -2.634 -0.642) 2.711 2.754 ( 0.000 2.634 -0.642) 2.711 2.832 ( 0.000 -1.457 2.578) 2.961 2.832 ( 0.000 1.457 2.578) 2.961 2.884 ( 0.000 -4.391 -2.770) 5.192 2.884 ( 0.000 4.391 -2.770) 5.192 2.996 ( 0.000 -1.134 0.800) 1.387 2.996 ( 0.000 1.134 0.800) 1.387 3.017 ( 0.000 -1.929 -1.004) 2.175 3.017 ( 0.000 1.929 -1.004) 2.175 3.075 ( 0.000 -0.466 3.290) 3.323 3.075 ( 0.000 0.466 3.290) 3.323 3.144 ( 0.000 -0.180 -3.225) 3.230 3.144 ( 0.000 0.180 -3.225) 3.230 3.205 ( 0.000 -0.793 1.754) 1.925 3.205 ( 0.000 0.793 1.754) 1.925 3.241 ( 0.000 -1.583 -1.645) 2.284 3.241 ( 0.000 1.583 -1.645) 2.284 3.308 ( 0.000 -4.504 1.547) 4.762 3.308 ( 0.000 4.504 1.547) 4.762 3.331 ( 0.000 -5.288 -0.936) 5.370 3.331 ( 0.000 5.288 -0.936) 5.370 3.403 ( 0.000 -3.160 7.771) 8.389 3.403 ( 0.000 3.160 7.771) 8.389 3.509 ( 0.000 -2.363 2.933) 3.767 3.509 ( 0.000 2.363 2.933) 3.767 3.520 ( 0.000 -7.569 -3.448) 8.317 3.520 ( 0.000 7.569 -3.448) 8.317 3.619 ( 0.000 -0.991 -8.231) 8.290 3.619 ( 0.000 0.991 -8.231) 8.290 3.734 ( 0.000 -5.995 1.088) 6.093 3.734 ( 0.000 5.995 1.088) 6.093 3.764 ( 0.000 -4.142 -2.141) 4.663 3.764 ( 0.000 4.142 -2.141) 4.663 3.959 ( 0.000 -0.315 1.332) 1.369 3.959 ( 0.000 0.315 1.332) 1.369 3.984 ( 0.000 -15.212 2.101) 15.357 3.984 ( 0.000 15.212 2.101) 15.357 3.995 ( 0.000 -0.207 -1.613) 1.626 3.995 ( 0.000 0.207 -1.613) 1.626 4.043 ( 0.000 -7.980 -4.082) 8.964 4.043 ( 0.000 7.980 -4.082) 8.964 4.181 ( 0.000 -1.068 3.798) 3.945 4.181 ( 0.000 1.068 3.798) 3.945 4.236 ( 0.000 -3.876 -1.907) 4.320 4.236 ( 0.000 3.876 -1.907) 4.320 4.296 ( 0.000 -1.008 1.109) 1.498 4.296 ( 0.000 1.008 1.109) 1.498 4.321 ( 0.000 -0.243 -0.855) 0.889 4.321 ( 0.000 0.243 -0.855) 0.889 4.382 ( 0.000 -0.170 2.883) 2.888 4.382 ( 0.000 0.170 2.883) 2.888 4.430 ( 0.000 -1.148 -0.652) 1.321 4.430 ( 0.000 1.148 -0.652) 1.321 4.457 ( 0.000 -5.645 2.397) 6.133 4.457 ( 0.000 5.645 2.397) 6.133 4.545 ( 0.000 -2.436 -3.836) 4.544 4.545 ( 0.000 2.436 -3.836) 4.544 4.633 ( 0.000 -0.368 3.969) 3.986 4.633 ( 0.000 0.368 3.969) 3.986 4.697 ( 0.000 -0.303 -1.585) 1.614 4.697 ( 0.000 0.303 -1.585) 1.614 4.828 ( 0.000 -6.063 4.361) 7.468 4.828 ( 0.000 6.063 4.361) 7.468 4.900 ( 0.000 -4.688 -1.667) 4.976 4.900 ( 0.000 4.688 -1.667) 4.976 5.064 ( 0.000 -2.751 -1.806) 3.290 5.064 ( 0.000 2.751 -1.806) 3.290 5.076 ( 0.000 -4.883 -3.377) 5.937 5.076 ( 0.000 4.883 -3.377) 5.937 5.192 ( 0.000 -0.850 0.230) 0.881 5.192 ( 0.000 0.850 0.230) 0.881 5.196 ( 0.000 -1.807 -0.055) 1.808 5.196 ( 0.000 1.807 -0.055) 1.808 5.495 ( 0.000 -1.695 1.842) 2.503 5.495 ( 0.000 1.695 1.842) 2.503 5.533 ( 0.000 -3.256 -2.045) 3.845 5.533 ( 0.000 3.256 -2.045) 3.845 5.598 ( 0.000 -1.048 2.723) 2.918 5.598 ( 0.000 1.048 2.723) 2.918 5.668 ( 0.000 -1.899 -4.670) 5.042 5.668 ( 0.000 1.899 -4.670) 5.042 5.811 ( 0.000 -2.945 2.364) 3.777 5.811 ( 0.000 2.945 2.364) 3.777 5.832 ( 0.000 -2.350 -0.075) 2.352 5.832 ( 0.000 2.350 -0.075) 2.352 6.076 ( 0.000 -1.803 0.050) 1.803 6.076 ( 0.000 1.803 0.050) 1.803 6.084 ( 0.000 -2.854 -0.692) 2.937 6.084 ( 0.000 2.854 -0.692) 2.937 6.139 ( 0.000 -8.854 5.205) 10.270 6.139 ( 0.000 8.854 5.205) 10.270 6.261 ( 0.000 -9.236 -7.776) 12.074 6.261 ( 0.000 9.236 -7.776) 12.074 6.620 ( 0.000 -2.061 0.904) 2.250 6.620 ( 0.000 2.061 0.904) 2.250 6.649 ( 0.000 -3.814 -1.650) 4.156 6.649 ( 0.000 3.814 -1.650) 4.156 6.784 ( 0.000 -1.385 -0.084) 1.388 6.784 ( 0.000 1.385 -0.084) 1.388 6.793 ( 0.000 -2.245 -0.639) 2.334 6.793 ( 0.000 2.245 -0.639) 2.334 7.434 ( 0.000 -2.211 11.961) 12.164 7.434 ( 0.000 2.211 11.961) 12.164 7.619 ( 0.000 -4.188 -8.131) 9.146 7.619 ( 0.000 4.188 -8.131) 9.146 7.839 ( 0.000 -4.571 4.705) 6.560 7.839 ( 0.000 4.571 4.705) 6.560 7.931 ( 0.000 -4.214 -4.228) 5.969 7.931 ( 0.000 4.214 -4.228) 5.969 8.101 ( 0.000 -5.030 1.854) 5.361 8.101 ( 0.000 5.030 1.854) 5.361 8.146 ( 0.000 -4.846 -2.353) 5.387 8.146 ( 0.000 4.846 -2.353) 5.387 8.431 ( 0.000 -5.828 4.432) 7.321 8.431 ( 0.000 5.828 4.432) 7.321 8.500 ( 0.000 -7.099 -2.598) 7.560 8.500 ( 0.000 7.099 -2.598) 7.560 9.249 ( 0.000 -3.491 5.833) 6.798 9.249 ( 0.000 3.491 5.833) 6.798 9.344 ( 0.000 -1.981 -3.774) 4.262 9.344 ( 0.000 1.981 -3.774) 4.262 9.608 ( 0.000 -2.600 3.775) 4.584 9.608 ( 0.000 2.600 3.775) 4.584 9.699 ( 0.000 -8.959 -5.407) 10.464 9.699 ( 0.000 8.959 -5.407) 10.464 11.736 ( 0.000 -3.308 2.031) 3.882 11.736 ( 0.000 3.308 2.031) 3.882 11.753 ( 0.000 -4.236 -0.468) 4.261 11.753 ( 0.000 4.236 -0.468) 4.261 11.780 ( 0.000 -3.987 3.893) 5.572 11.780 ( 0.000 3.987 3.893) 5.572 11.893 ( 0.000 -1.923 -7.099) 7.355 11.893 ( 0.000 1.923 -7.099) 7.355 12.091 ( 0.000 -8.909 0.363) 8.917 12.091 ( 0.000 8.909 0.363) 8.917 12.108 ( 0.000 -9.780 -1.542) 9.901 12.108 ( 0.000 9.780 -1.542) 9.901 12.752 ( 0.000 -9.616 19.710) 21.930 12.752 ( 0.000 9.616 19.710) 21.930 13.153 ( 0.000 -0.626 -23.341) 23.350 13.153 ( 0.000 0.626 -23.341) 23.350 13.952 ( 0.000 -9.268 11.221) 14.553 13.952 ( 0.000 9.268 11.221) 14.553 14.116 ( 0.000 -9.452 -7.066) 11.802 14.116 ( 0.000 9.452 -7.066) 11.802 14.548 ( 0.000 -0.976 3.031) 3.185 14.548 ( 0.000 0.976 3.031) 3.185 14.592 ( 0.000 -1.767 -1.670) 2.432 14.592 ( 0.000 1.767 -1.670) 2.432 ======================= Grid point 65 (27/30) ======================= q-point: ( 0.12 -0.50 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 5.287 -9.180 12.504) 16.388 0.855 ( 5.287 9.180 12.504) 16.388 0.952 ( 4.739 -13.882 4.597) 15.373 0.952 ( 4.739 13.882 4.597) 15.373 1.061 ( 3.914 -7.562 -5.706) 10.250 1.061 ( 3.914 7.562 -5.706) 10.250 1.140 ( 4.145 -6.048 -8.280) 11.060 1.140 ( 4.145 6.048 -8.280) 11.060 1.353 ( 4.897 -9.433 4.792) 11.659 1.353 ( 4.897 9.433 4.792) 11.659 1.421 ( 8.436 -7.579 -0.178) 11.342 1.421 ( 8.436 7.579 -0.178) 11.342 1.472 ( 6.902 -8.559 3.547) 11.553 1.472 ( 6.902 8.559 3.547) 11.553 1.533 ( 4.494 -2.266 -4.638) 6.844 1.533 ( 4.494 2.266 -4.638) 6.844 1.612 ( 4.916 -3.683 -2.006) 6.462 1.612 ( 4.916 3.683 -2.006) 6.462 1.653 ( 4.155 -4.175 -5.371) 7.971 1.653 ( 4.155 4.175 -5.371) 7.971 2.058 ( -0.622 -1.795 4.656) 5.029 2.058 ( -0.622 1.795 4.656) 5.029 2.136 ( -0.793 -1.522 -3.101) 3.545 2.136 ( -0.793 1.522 -3.101) 3.545 2.325 ( -1.320 -3.302 3.118) 4.730 2.325 ( -1.320 3.302 3.118) 4.730 2.363 ( -4.762 -1.692 0.597) 5.089 2.363 ( -4.762 1.692 0.597) 5.089 2.380 ( -4.339 -2.348 0.171) 4.937 2.380 ( -4.339 2.348 0.171) 4.937 2.402 ( -2.381 -1.013 -1.902) 3.211 2.402 ( -2.381 1.013 -1.902) 3.211 2.479 ( -2.388 -1.363 -0.223) 2.759 2.479 ( -2.388 1.363 -0.223) 2.759 2.486 ( -3.592 -0.921 -0.851) 3.805 2.486 ( -3.592 0.921 -0.851) 3.805 2.560 ( -3.724 -1.774 2.290) 4.719 2.560 ( -3.724 1.774 2.290) 4.719 2.611 ( -1.659 -1.261 -3.367) 3.960 2.611 ( -1.659 1.261 -3.367) 3.960 2.725 ( -0.353 -2.194 2.594) 3.416 2.725 ( -0.353 2.194 2.594) 3.416 2.767 ( 1.467 -2.406 -1.786) 3.336 2.767 ( 1.467 2.406 -1.786) 3.336 2.821 ( -1.212 -1.497 2.840) 3.431 2.821 ( -1.212 1.497 2.840) 3.431 2.878 ( -1.272 -2.650 -3.229) 4.366 2.878 ( -1.272 2.650 -3.229) 4.366 3.041 ( 3.015 -2.377 0.688) 3.900 3.041 ( 3.015 2.377 0.688) 3.900 3.049 ( 2.981 -2.118 -0.062) 3.657 3.049 ( 2.981 2.118 -0.062) 3.657 3.070 ( -1.273 -1.980 1.569) 2.829 3.070 ( -1.273 1.980 1.569) 2.829 3.123 ( -1.055 -3.056 -1.987) 3.795 3.123 ( -1.055 3.056 -1.987) 3.795 3.171 ( -2.892 -4.411 3.513) 6.337 3.171 ( -2.892 4.411 3.513) 6.337 3.234 ( -0.400 -1.406 -2.718) 3.086 3.234 ( -0.400 1.406 -2.718) 3.086 3.285 ( -2.789 -3.645 1.744) 4.910 3.285 ( -2.789 3.645 1.744) 4.910 3.309 ( -0.313 -3.143 -1.031) 3.323 3.309 ( -0.313 3.143 -1.031) 3.323 3.427 ( 0.818 -3.161 7.547) 8.223 3.427 ( 0.818 3.161 7.547) 8.223 3.502 ( -0.369 -3.880 0.754) 3.970 3.502 ( -0.369 3.880 0.754) 3.970 3.573 ( 3.679 -2.050 -1.459) 4.457 3.573 ( 3.679 2.050 -1.459) 4.457 3.636 ( 2.036 -0.509 -7.995) 8.266 3.636 ( 2.036 0.509 -7.995) 8.266 3.726 ( -1.418 -6.906 0.694) 7.084 3.726 ( -1.418 6.906 0.694) 7.084 3.748 ( -0.230 -6.256 -1.407) 6.416 3.748 ( -0.230 6.256 -1.407) 6.416 3.872 ( -5.166 -4.131 1.801) 6.855 3.872 ( -5.166 4.131 1.801) 6.855 3.903 ( -6.386 -4.997 -1.519) 8.250 3.903 ( -6.386 4.997 -1.519) 8.250 4.010 ( -4.584 -7.927 0.930) 9.204 4.010 ( -4.584 7.927 0.930) 9.204 4.038 ( -2.243 -6.643 -1.459) 7.162 4.038 ( -2.243 6.643 -1.459) 7.162 4.125 ( -1.168 -6.381 1.980) 6.782 4.125 ( -1.168 6.381 1.980) 6.782 4.175 ( -3.684 -5.623 -3.003) 7.363 4.175 ( -3.684 5.623 -3.003) 7.363 4.296 ( -0.388 -2.546 1.317) 2.893 4.296 ( -0.388 2.546 1.317) 2.893 4.309 ( 0.018 -4.642 0.364) 4.657 4.309 ( 0.018 4.642 0.364) 4.657 4.433 ( 3.012 -2.875 2.105) 4.666 4.433 ( 3.012 2.875 2.105) 4.666 4.463 ( 1.608 -4.136 0.773) 4.504 4.463 ( 1.608 4.136 0.773) 4.504 4.481 ( 3.077 -1.171 1.592) 3.657 4.481 ( 3.077 1.171 1.592) 3.657 4.556 ( 0.828 -3.566 -4.133) 5.521 4.556 ( 0.828 3.566 -4.133) 5.521 4.645 ( 1.618 -0.979 4.050) 4.470 4.645 ( 1.618 0.979 4.050) 4.470 4.707 ( 0.745 -1.555 -1.805) 2.496 4.707 ( 0.745 1.555 -1.805) 2.496 4.872 ( 3.920 -3.772 3.422) 6.426 4.872 ( 3.920 3.772 3.422) 6.426 4.915 ( 0.760 -1.429 -0.331) 1.652 4.915 ( 0.760 1.429 -0.331) 1.652 5.040 ( -2.936 -3.249 -0.877) 4.466 5.040 ( -2.936 3.249 -0.877) 4.466 5.077 ( -0.073 -4.381 -4.869) 6.551 5.077 ( -0.073 4.381 -4.869) 6.551 5.196 ( 1.146 -0.863 0.789) 1.637 5.196 ( 1.146 0.863 0.789) 1.637 5.210 ( 1.910 -0.832 -0.557) 2.156 5.210 ( 1.910 0.832 -0.557) 2.156 5.497 ( -0.191 -1.288 1.903) 2.306 5.497 ( -0.191 1.288 1.903) 2.306 5.536 ( -0.517 -2.006 -2.175) 3.003 5.536 ( -0.517 2.006 -2.175) 3.003 5.609 ( 1.815 -2.237 2.959) 4.130 5.609 ( 1.815 2.237 2.959) 4.130 5.675 ( 0.989 -2.817 -3.993) 4.985 5.675 ( 0.989 2.817 -3.993) 4.985 5.809 ( -0.375 -2.742 2.548) 3.762 5.809 ( -0.375 2.742 2.548) 3.762 5.834 ( 0.691 -3.437 -0.009) 3.506 5.834 ( 0.691 3.437 -0.009) 3.506 6.045 ( -4.270 -2.985 0.736) 5.262 6.045 ( -4.270 2.985 0.736) 5.262 6.057 ( -3.059 -2.974 -0.458) 4.291 6.057 ( -3.059 2.974 -0.458) 4.291 6.092 ( -3.777 -4.534 2.715) 6.496 6.092 ( -3.777 4.534 2.715) 6.496 6.170 ( -7.784 -8.455 -4.836) 12.468 6.170 ( -7.784 8.455 -4.836) 12.468 6.649 ( 1.489 -2.461 -0.382) 2.902 6.649 ( 1.489 2.461 -0.382) 2.902 6.674 ( 2.505 -0.545 -3.657) 4.466 6.674 ( 2.505 0.545 -3.657) 4.466 6.824 ( 4.811 -1.597 1.589) 5.312 6.824 ( 4.811 1.597 1.589) 5.312 6.842 ( 4.532 -1.417 -0.017) 4.748 6.842 ( 4.532 1.417 -0.017) 4.748 7.454 ( 1.999 -1.939 10.737) 11.092 7.454 ( 1.999 1.939 10.737) 11.092 7.624 ( 0.803 -4.290 -7.216) 8.433 7.624 ( 0.803 4.290 -7.216) 8.433 7.827 ( -2.049 -4.388 4.164) 6.387 7.827 ( -2.049 4.388 4.164) 6.387 7.927 ( -1.852 -4.250 -5.689) 7.339 7.927 ( -1.852 4.250 -5.689) 7.339 8.141 ( 5.314 -5.428 4.122) 8.643 8.141 ( 5.314 5.428 4.122) 8.643 8.210 ( 6.814 -5.678 -2.945) 9.346 8.210 ( 6.814 5.678 -2.945) 9.346 8.454 ( 2.030 -6.663 4.006) 8.035 8.454 ( 2.030 6.663 4.006) 8.035 8.520 ( 1.835 -7.758 -2.726) 8.425 8.520 ( 1.835 7.758 -2.726) 8.425 9.208 ( -3.778 -2.386 5.225) 6.875 9.208 ( -3.778 2.386 5.225) 6.875 9.300 ( -4.371 -1.577 -4.043) 6.159 9.300 ( -4.371 1.577 -4.043) 6.159 9.559 ( -4.919 -2.208 2.865) 6.106 9.559 ( -4.919 2.208 2.865) 6.106 9.625 ( -7.096 -6.370 -3.826) 10.275 9.625 ( -7.096 6.370 -3.826) 10.275 11.719 ( -0.391 -1.524 1.958) 2.512 11.719 ( -0.391 1.524 1.958) 2.512 11.755 ( 1.310 -3.325 -1.958) 4.075 11.755 ( 1.310 3.325 -1.958) 4.075 11.844 ( 4.878 -4.627 3.987) 7.817 11.844 ( 4.878 4.627 3.987) 7.817 11.938 ( 3.197 -3.730 -6.096) 7.829 11.938 ( 3.197 3.730 -6.096) 7.829 12.178 ( 7.555 -6.753 0.447) 10.143 12.178 ( 7.555 6.753 0.447) 10.143 12.190 ( 7.630 -6.799 -0.699) 10.244 12.190 ( 7.630 6.799 -0.699) 10.244 12.797 ( 4.902 -7.166 17.207) 19.273 12.797 ( 4.902 7.166 17.207) 19.273 13.150 ( -0.096 -6.183 -20.336) 21.255 13.150 ( -0.096 6.183 -20.336) 21.255 13.947 ( -0.303 -8.070 10.217) 13.023 13.947 ( -0.303 8.070 10.217) 13.023 14.101 ( -1.474 -8.695 -6.747) 11.104 14.101 ( -1.474 8.695 -6.747) 11.104 14.486 ( -6.028 -1.815 2.964) 6.958 14.486 ( -6.028 1.815 2.964) 6.958 14.530 ( -6.137 -1.932 -1.720) 6.660 14.530 ( -6.137 1.932 -1.720) 6.660 ======================= Grid point 67 (28/30) ======================= q-point: ( 0.25 -0.50 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 9.672 -8.398 7.744) 14.967 1.000 ( 9.672 8.398 7.744) 14.967 1.085 ( 8.909 -9.884 1.694) 13.414 1.085 ( 8.909 9.884 1.694) 13.414 1.169 ( 7.166 -7.552 -2.698) 10.755 1.169 ( 7.166 7.552 -2.698) 10.755 1.250 ( 7.039 -8.206 -7.578) 13.203 1.250 ( 7.039 8.206 -7.578) 13.203 1.425 ( 3.469 -5.808 5.156) 8.506 1.425 ( 3.469 5.808 5.156) 8.506 1.515 ( 2.180 -2.588 -3.841) 5.119 1.515 ( 2.180 2.588 -3.841) 5.119 1.663 ( 7.199 -6.331 0.608) 9.606 1.663 ( 7.199 6.331 0.608) 9.606 1.675 ( 7.867 -5.968 0.138) 9.875 1.675 ( 7.867 5.968 0.138) 9.875 1.727 ( 8.098 -5.253 0.208) 9.655 1.727 ( 8.098 5.253 0.208) 9.655 1.755 ( 6.677 -4.532 -1.785) 8.265 1.755 ( 6.677 4.532 -1.785) 8.265 2.045 ( -0.698 -1.985 3.841) 4.380 2.045 ( -0.698 1.985 3.841) 4.380 2.117 ( -1.249 -1.826 -3.331) 3.999 2.117 ( -1.249 1.826 -3.331) 3.999 2.231 ( -6.638 -4.981 1.929) 8.520 2.231 ( -6.638 4.981 1.929) 8.520 2.266 ( -5.407 -4.008 -1.529) 6.902 2.266 ( -5.407 4.008 -1.529) 6.902 2.309 ( -2.969 -1.753 2.106) 4.040 2.309 ( -2.969 1.753 2.106) 4.040 2.356 ( -2.606 -1.952 -1.843) 3.742 2.356 ( -2.606 1.952 -1.843) 3.742 2.404 ( -4.594 -2.378 0.886) 5.248 2.404 ( -4.594 2.378 0.886) 5.248 2.432 ( -3.385 -3.648 -1.223) 5.124 2.432 ( -3.385 3.648 -1.223) 5.124 2.501 ( -2.137 -2.389 2.691) 4.185 2.501 ( -2.137 2.389 2.691) 4.185 2.564 ( -2.226 -2.403 -3.874) 5.073 2.564 ( -2.226 2.403 -3.874) 5.073 2.701 ( -1.520 -3.373 3.041) 4.789 2.701 ( -1.520 3.373 3.041) 4.789 2.755 ( -2.608 -2.390 -2.038) 4.083 2.755 ( -2.608 2.390 -2.038) 4.083 2.843 ( 2.411 -1.938 0.244) 3.103 2.843 ( 2.411 1.938 0.244) 3.103 2.873 ( 1.612 -1.746 -2.311) 3.315 2.873 ( 1.612 1.746 -2.311) 3.315 2.968 ( -7.508 -3.282 2.769) 8.649 2.968 ( -7.508 3.282 2.769) 8.649 3.009 ( -6.919 -2.042 -0.779) 7.256 3.009 ( -6.919 2.042 -0.779) 7.256 3.101 ( -0.618 -3.853 0.234) 3.910 3.101 ( -0.618 3.853 0.234) 3.910 3.121 ( 1.291 -2.690 -1.693) 3.430 3.121 ( 1.291 2.690 -1.693) 3.430 3.156 ( -0.104 -2.651 3.415) 4.324 3.156 ( -0.104 2.651 3.415) 4.324 3.211 ( -0.415 -2.292 -1.120) 2.584 3.211 ( -0.415 2.292 -1.120) 2.584 3.269 ( 0.893 -1.854 0.908) 2.250 3.269 ( 0.893 1.854 0.908) 2.250 3.309 ( -0.278 -0.427 -3.741) 3.776 3.309 ( -0.278 0.427 -3.741) 3.776 3.427 ( -0.354 -0.499 6.852) 6.880 3.427 ( -0.354 0.499 6.852) 6.880 3.509 ( 0.330 -3.864 2.730) 4.743 3.509 ( 0.330 3.864 2.730) 4.743 3.577 ( -2.793 -1.227 -3.878) 4.934 3.577 ( -2.793 1.227 -3.878) 4.934 3.629 ( -2.692 -2.150 -5.256) 6.284 3.629 ( -2.692 2.150 -5.256) 6.284 3.718 ( 0.222 -5.619 2.327) 6.086 3.718 ( 0.222 5.619 2.327) 6.086 3.759 ( 0.264 -2.784 -1.548) 3.197 3.759 ( 0.264 2.784 -1.548) 3.197 3.799 ( -1.281 -1.216 1.874) 2.575 3.799 ( -1.281 1.216 1.874) 2.575 3.840 ( 0.028 -0.742 -2.341) 2.456 3.840 ( 0.028 0.742 -2.341) 2.456 3.927 ( -0.053 -4.017 3.608) 5.399 3.927 ( -0.053 4.017 3.608) 5.399 3.979 ( -2.499 -1.690 -1.163) 3.233 3.979 ( -2.499 1.690 -1.163) 3.233 4.095 ( -2.790 -2.765 0.558) 3.968 4.095 ( -2.790 2.765 0.558) 3.968 4.126 ( -0.780 -3.715 -1.495) 4.080 4.126 ( -0.780 3.715 -1.495) 4.080 4.307 ( 0.512 -3.283 0.945) 3.454 4.307 ( 0.512 3.283 0.945) 3.454 4.348 ( 3.049 -3.588 -1.619) 4.979 4.348 ( 3.049 3.588 -1.619) 4.979 4.449 ( -0.500 -3.008 1.640) 3.462 4.449 ( -0.500 3.008 1.640) 3.462 4.493 ( 0.154 -1.257 -2.013) 2.378 4.493 ( 0.154 1.257 -2.013) 2.378 4.526 ( 1.709 -2.171 3.156) 4.194 4.526 ( 1.709 2.171 3.156) 4.194 4.575 ( 1.275 -1.192 -2.098) 2.729 4.575 ( 1.275 1.192 -2.098) 2.729 4.683 ( 1.556 -1.965 2.333) 3.424 4.683 ( 1.556 1.965 2.333) 3.424 4.728 ( 1.710 -4.845 -1.452) 5.339 4.728 ( 1.710 4.845 -1.452) 5.339 4.876 ( -3.757 -1.667 2.340) 4.730 4.876 ( -3.757 1.667 2.340) 4.730 4.923 ( -2.871 -2.160 -1.480) 3.886 4.923 ( -2.871 2.160 -1.480) 3.886 4.992 ( 1.437 -0.734 2.949) 3.362 4.992 ( 1.437 0.734 2.949) 3.362 5.073 ( -0.095 -3.641 -4.760) 5.993 5.073 ( -0.095 3.641 -4.760) 5.993 5.252 ( 4.293 -2.189 0.656) 4.863 5.252 ( 4.293 2.189 0.656) 4.863 5.276 ( 4.746 -2.367 -1.457) 5.500 5.276 ( 4.746 2.367 -1.457) 5.500 5.484 ( -0.992 -1.523 1.780) 2.544 5.484 ( -0.992 1.523 1.780) 2.544 5.517 ( -1.154 -2.461 -1.702) 3.207 5.517 ( -1.154 2.461 -1.702) 3.207 5.650 ( 1.790 -2.029 2.645) 3.784 5.650 ( 1.790 2.029 2.645) 3.784 5.699 ( 1.021 -3.568 -2.308) 4.370 5.699 ( 1.021 3.568 -2.308) 4.370 5.796 ( -1.371 -0.773 2.967) 3.359 5.796 ( -1.371 0.773 2.967) 3.359 5.847 ( -0.571 -1.031 -1.672) 2.046 5.847 ( -0.571 1.031 -1.672) 2.046 5.923 ( -6.546 -0.328 2.072) 6.874 5.923 ( -6.546 0.328 2.072) 6.874 5.965 ( -5.478 -2.014 -1.871) 6.129 5.965 ( -5.478 2.014 -1.871) 6.129 6.016 ( -4.614 -2.930 0.087) 5.466 6.016 ( -4.614 2.930 0.087) 5.466 6.037 ( -5.029 -2.936 -1.308) 5.968 6.037 ( -5.029 2.936 -1.308) 5.968 6.697 ( 3.681 -1.615 -0.070) 4.021 6.697 ( 3.681 1.615 -0.070) 4.021 6.725 ( 3.142 -1.189 -3.666) 4.972 6.725 ( 3.142 1.189 -3.666) 4.972 6.913 ( 4.277 -1.203 3.639) 5.743 6.913 ( 4.277 1.203 3.639) 5.743 6.956 ( 6.021 -3.411 -1.164) 7.017 6.956 ( 6.021 3.411 -1.164) 7.017 7.502 ( 2.779 -1.620 8.542) 9.127 7.502 ( 2.779 1.620 8.542) 9.127 7.644 ( 0.765 -5.766 -5.140) 7.762 7.644 ( 0.765 5.766 -5.140) 7.762 7.773 ( -2.681 -3.092 2.097) 4.598 7.773 ( -2.681 3.092 2.097) 4.598 7.862 ( -4.078 -4.727 -5.819) 8.534 7.862 ( -4.078 4.727 -5.819) 8.534 8.280 ( 7.983 -5.758 5.481) 11.266 8.280 ( 7.983 5.758 5.481) 11.266 8.365 ( 7.845 -6.687 -2.790) 10.679 8.365 ( 7.845 6.687 -2.790) 10.679 8.494 ( 2.008 -5.538 2.755) 6.503 8.494 ( 2.008 5.538 2.755) 6.503 8.554 ( 1.384 -7.698 -2.971) 8.366 8.554 ( 1.384 7.698 -2.971) 8.366 9.132 ( -3.490 -0.704 3.455) 4.961 9.132 ( -3.490 0.704 3.455) 4.961 9.199 ( -5.486 -0.325 -3.311) 6.416 9.199 ( -5.486 0.325 -3.311) 6.416 9.440 ( -7.018 -1.495 1.282) 7.289 9.440 ( -7.018 1.495 1.282) 7.289 9.467 ( -8.682 -2.767 -1.477) 9.231 9.467 ( -8.682 2.767 -1.477) 9.231 11.731 ( 1.470 -0.937 2.564) 3.100 11.731 ( 1.470 0.937 2.564) 3.100 11.791 ( 1.835 -1.944 -3.997) 4.808 11.791 ( 1.835 1.944 -3.997) 4.808 11.931 ( 3.475 -5.674 3.416) 7.479 11.931 ( 3.475 5.674 3.416) 7.479 11.989 ( 1.823 -6.760 -2.957) 7.601 11.989 ( 1.823 6.760 -2.957) 7.601 12.327 ( 7.877 -7.500 1.203) 10.943 12.327 ( 7.877 7.500 1.203) 10.943 12.349 ( 8.343 -8.438 -0.998) 11.908 12.349 ( 8.343 8.438 -0.998) 11.908 12.933 ( 8.668 -5.817 10.789) 15.012 12.933 ( 8.668 5.817 10.789) 15.012 13.161 ( 1.409 -10.961 -13.043) 17.095 13.161 ( 1.409 10.961 -13.043) 17.095 13.951 ( 0.916 -5.764 7.102) 9.192 13.951 ( 0.916 5.764 7.102) 9.192 14.067 ( -1.780 -6.832 -5.381) 8.877 14.067 ( -1.780 6.832 -5.381) 8.877 14.345 ( -8.283 -3.054 2.459) 9.164 14.345 ( -8.283 3.054 2.459) 9.164 14.382 ( -8.826 -2.481 -1.519) 9.293 14.382 ( -8.826 2.481 -1.519) 9.293 ======================= Grid point 69 (29/30) ======================= q-point: ( 0.38 -0.50 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 11.037 -5.555 3.925) 12.964 1.203 ( 11.037 5.555 3.925) 12.964 1.270 ( 9.780 -5.670 -0.863) 11.337 1.270 ( 9.780 5.670 -0.863) 11.337 1.314 ( 7.435 -5.327 0.450) 9.157 1.314 ( 7.435 5.327 0.450) 9.157 1.388 ( 6.929 -6.838 -5.345) 11.106 1.388 ( 6.929 6.838 -5.345) 11.106 1.483 ( 2.145 -4.300 2.669) 5.497 1.483 ( 2.145 4.300 2.669) 5.497 1.531 ( -0.685 -1.405 -2.296) 2.778 1.531 ( -0.685 1.405 -2.296) 2.778 1.678 ( -4.110 -2.113 1.974) 5.025 1.678 ( -4.110 2.113 1.974) 5.025 1.713 ( -2.616 -3.081 -1.592) 4.343 1.713 ( -2.616 3.081 -1.592) 4.343 1.884 ( 6.608 -3.907 1.413) 7.805 1.884 ( 6.608 3.907 1.413) 7.805 1.908 ( 6.899 -3.687 -1.009) 7.887 1.908 ( 6.899 3.687 -1.009) 7.887 2.034 ( -0.470 -1.935 3.127) 3.707 2.034 ( -0.470 1.935 3.127) 3.707 2.089 ( -2.133 -1.900 -2.305) 3.671 2.089 ( -2.133 1.900 -2.305) 3.671 2.136 ( -2.527 -5.296 2.040) 6.213 2.136 ( -2.527 5.296 2.040) 6.213 2.174 ( -3.623 -3.799 -1.756) 5.536 2.174 ( -3.623 3.799 -1.756) 5.536 2.250 ( -3.026 -2.791 1.500) 4.381 2.250 ( -3.026 2.791 1.500) 4.381 2.287 ( -4.564 -1.875 -0.342) 4.946 2.287 ( -4.564 1.875 -0.342) 4.946 2.346 ( -0.773 -1.968 -0.690) 2.224 2.346 ( -0.773 1.968 -0.690) 2.224 2.371 ( -1.990 -2.367 -2.031) 3.700 2.371 ( -1.990 2.367 -2.031) 3.700 2.481 ( 0.093 -2.363 3.064) 3.870 2.481 ( 0.093 2.363 3.064) 3.870 2.548 ( -0.265 -3.790 -4.019) 5.530 2.548 ( -0.265 3.790 -4.019) 5.530 2.674 ( -1.590 -1.362 2.585) 3.327 2.674 ( -1.590 1.362 2.585) 3.327 2.705 ( -2.003 -1.737 -0.216) 2.660 2.705 ( -2.003 1.737 -0.216) 2.660 2.786 ( -7.126 -3.307 2.190) 8.155 2.786 ( -7.126 3.307 2.190) 8.155 2.826 ( -7.118 -1.555 -1.384) 7.416 2.826 ( -7.118 1.555 -1.384) 7.416 2.919 ( 1.927 -3.011 0.211) 3.581 2.919 ( 1.927 3.011 0.211) 3.581 2.957 ( 2.600 -3.755 -2.544) 5.228 2.957 ( 2.600 3.755 -2.544) 5.228 3.064 ( -2.131 -3.506 3.575) 5.442 3.064 ( -2.131 3.506 3.575) 5.442 3.094 ( -1.815 -2.587 1.637) 3.559 3.094 ( -1.815 2.587 1.637) 3.559 3.158 ( 1.129 -2.175 -1.796) 3.038 3.158 ( 1.129 2.175 -1.796) 3.038 3.215 ( -1.147 -1.892 -4.922) 5.396 3.215 ( -1.147 1.892 -4.922) 5.396 3.274 ( -1.004 -1.522 1.057) 2.107 3.274 ( -1.004 1.522 1.057) 2.107 3.293 ( -1.620 -2.718 -0.859) 3.279 3.293 ( -1.620 2.718 -0.859) 3.279 3.440 ( 1.426 -1.129 3.737) 4.156 3.440 ( 1.426 1.129 3.737) 4.156 3.505 ( 1.215 -0.878 3.778) 4.065 3.505 ( 1.215 0.878 3.778) 4.065 3.525 ( -2.049 -1.556 -3.522) 4.362 3.525 ( -2.049 1.556 -3.522) 4.362 3.604 ( -0.906 -2.422 -5.505) 6.082 3.604 ( -0.906 2.422 -5.505) 6.082 3.723 ( 0.913 -3.064 2.149) 3.852 3.723 ( 0.913 3.064 2.149) 3.852 3.762 ( 0.430 -1.516 -1.784) 2.380 3.762 ( 0.430 1.516 -1.784) 2.380 3.818 ( 1.982 -2.646 3.498) 4.813 3.818 ( 1.982 2.646 3.498) 4.813 3.863 ( 2.786 -5.733 -0.630) 6.406 3.863 ( 2.786 5.733 -0.630) 6.406 3.933 ( -2.366 -4.150 2.905) 5.591 3.933 ( -2.366 4.150 2.905) 5.591 3.999 ( 4.577 -2.147 -2.677) 5.720 3.999 ( 4.577 2.147 -2.677) 5.720 4.056 ( -1.729 -0.626 5.191) 5.507 4.056 ( -1.729 0.626 5.191) 5.507 4.149 ( 3.255 -3.272 -0.930) 4.708 4.149 ( 3.255 3.272 -0.930) 4.708 4.306 ( -1.377 -3.839 -1.908) 4.503 4.306 ( -1.377 3.839 -1.908) 4.503 4.362 ( -0.405 -2.036 -5.071) 5.479 4.362 ( -0.405 2.036 -5.071) 5.479 4.439 ( -0.293 -1.672 1.724) 2.419 4.439 ( -0.293 1.672 1.724) 2.419 4.466 ( -3.226 -0.455 -0.387) 3.280 4.466 ( -3.226 0.455 -0.387) 3.280 4.538 ( -0.539 -3.677 3.280) 4.957 4.538 ( -0.539 3.677 3.280) 4.957 4.583 ( -1.252 -2.337 -1.319) 2.961 4.583 ( -1.252 2.337 -1.319) 2.961 4.694 ( 0.629 -3.513 1.299) 3.798 4.694 ( 0.629 3.513 1.299) 3.798 4.750 ( -1.093 -1.866 -3.965) 4.517 4.750 ( -1.093 1.866 -3.965) 4.517 4.823 ( 0.515 -2.016 4.686) 5.128 4.823 ( 0.515 2.016 4.686) 5.128 4.876 ( -0.246 -1.973 -0.466) 2.042 4.876 ( -0.246 1.973 -0.466) 2.042 5.036 ( 1.801 -2.752 0.579) 3.340 5.036 ( 1.801 2.752 0.579) 3.340 5.068 ( -0.480 -3.893 -2.412) 4.605 5.068 ( -0.480 3.893 -2.412) 4.605 5.333 ( 3.729 -3.198 1.884) 5.261 5.333 ( 3.729 3.198 1.884) 5.261 5.373 ( 4.888 -2.177 -1.901) 5.678 5.373 ( 4.888 2.177 -1.901) 5.678 5.456 ( -2.267 -3.075 1.351) 4.052 5.456 ( -2.267 3.075 1.351) 4.052 5.490 ( -1.827 -3.793 -1.929) 4.631 5.490 ( -1.827 3.793 -1.929) 4.631 5.670 ( 0.513 -3.126 1.589) 3.544 5.670 ( 0.513 3.126 1.589) 3.544 5.699 ( -1.114 -3.529 -1.125) 3.868 5.699 ( -1.114 3.529 -1.125) 3.868 5.748 ( -3.031 -2.255 1.602) 4.104 5.748 ( -3.031 2.255 1.602) 4.104 5.771 ( -3.832 -3.571 -0.085) 5.239 5.771 ( -3.832 3.571 -0.085) 5.239 5.873 ( -1.262 -2.186 0.488) 2.571 5.873 ( -1.262 2.186 0.488) 2.571 5.901 ( -1.999 -2.166 -1.754) 3.430 5.901 ( -1.999 2.166 -1.754) 3.430 5.947 ( -1.534 -1.699 1.028) 2.510 5.947 ( -1.534 1.699 1.028) 2.510 5.971 ( -2.134 -2.470 -1.208) 3.480 5.971 ( -2.134 2.470 -1.208) 3.480 6.772 ( 3.535 -2.637 -0.241) 4.417 6.772 ( 3.535 2.637 -0.241) 4.417 6.787 ( 2.844 -1.373 -2.082) 3.783 6.787 ( 2.844 1.373 -2.082) 3.783 6.984 ( 3.134 -1.748 3.995) 5.370 6.984 ( 3.134 1.748 3.995) 5.370 7.034 ( 1.883 -3.508 -1.477) 4.247 7.034 ( 1.883 3.508 -1.477) 4.247 7.553 ( 2.608 -1.828 5.943) 6.743 7.553 ( 2.608 1.828 5.943) 6.743 7.639 ( -1.251 -6.576 -0.642) 6.725 7.639 ( -1.251 6.576 -0.642) 6.725 7.745 ( -0.320 -1.658 -2.112) 2.704 7.745 ( -0.320 1.658 -2.112) 2.704 7.795 ( -2.817 -4.057 -5.001) 7.028 7.795 ( -2.817 4.057 -5.001) 7.028 8.410 ( 5.229 -5.329 5.330) 9.173 8.410 ( 5.229 5.329 5.330) 9.173 8.462 ( 2.246 -5.644 2.465) 6.555 8.462 ( 2.246 5.644 2.465) 6.555 8.536 ( 2.173 -4.322 -2.454) 5.424 8.536 ( 2.173 4.322 -2.454) 5.424 8.567 ( 0.048 -5.647 -3.117) 6.451 8.567 ( 0.048 5.647 -3.117) 6.451 9.092 ( -0.732 -1.155 1.417) 1.969 9.092 ( -0.732 1.155 1.417) 1.969 9.120 ( -2.487 -1.541 -1.452) 3.267 9.120 ( -2.487 1.541 -1.452) 3.267 9.316 ( -5.357 -1.043 0.207) 5.461 9.316 ( -5.357 1.043 0.207) 5.461 9.321 ( -6.061 -1.015 -0.271) 6.152 9.321 ( -6.061 1.015 -0.271) 6.152 11.768 ( 2.284 -0.741 2.029) 3.144 11.768 ( 2.284 0.741 2.029) 3.144 11.815 ( 0.553 -0.741 -2.917) 3.060 11.815 ( 0.553 0.741 -2.917) 3.060 11.962 ( 0.230 -4.014 2.212) 4.589 11.962 ( 0.230 4.014 2.212) 4.589 11.996 ( -1.026 -6.271 -1.430) 6.514 11.996 ( -1.026 6.271 -1.430) 6.514 12.472 ( 6.687 -3.062 1.040) 7.428 12.472 ( 6.687 3.062 1.040) 7.428 12.490 ( 5.956 -5.878 -0.759) 8.402 12.490 ( 5.956 5.878 -0.759) 8.402 13.089 ( 6.988 -3.725 4.602) 9.159 13.089 ( 6.988 3.725 4.602) 9.159 13.190 ( 1.050 -9.669 -5.783) 11.316 13.190 ( 1.050 9.669 -5.783) 11.316 13.986 ( 2.824 -4.057 3.241) 5.911 13.986 ( 2.824 4.057 3.241) 5.911 14.045 ( -0.164 -4.863 -3.064) 5.750 14.045 ( -0.164 4.863 -3.064) 5.750 14.192 ( -7.267 -3.339 1.655) 8.167 14.192 ( -7.267 3.339 1.655) 8.167 14.217 ( -8.106 -2.809 -0.926) 8.628 14.217 ( -8.106 2.809 -0.926) 8.628 ======================= Grid point 71 (30/30) ======================= q-point: (-0.50 -0.50 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -3.009 -0.792 -0.668) 3.182 1.364 ( -2.935 0.719 -0.668) 3.095 1.364 ( 2.935 -0.719 -0.668) 3.095 1.364 ( 3.009 0.792 -0.668) 3.182 1.449 ( -4.915 -3.392 2.311) 6.403 1.449 ( 0.689 -2.363 2.311) 3.377 1.449 ( -0.689 2.363 2.311) 3.377 1.449 ( 4.915 3.392 2.311) 6.403 1.491 ( -1.782 -2.775 -1.381) 3.576 1.491 ( 1.766 -2.773 -1.381) 3.566 1.491 ( -1.766 2.773 -1.381) 3.566 1.491 ( 1.782 2.775 -1.381) 3.576 1.632 ( -3.051 -1.580 -0.979) 3.572 1.632 ( 0.109 -0.416 -0.979) 1.069 1.632 ( -0.109 0.416 -0.979) 1.069 1.632 ( 3.051 1.580 -0.979) 3.572 1.968 ( -0.653 -1.985 0.124) 2.093 1.968 ( 0.019 -1.958 0.124) 1.962 1.968 ( -0.019 1.958 0.124) 1.962 1.968 ( 0.653 1.985 0.124) 2.093 2.031 ( -1.694 -0.939 1.003) 2.181 2.031 ( 0.295 -0.433 1.003) 1.132 2.031 ( -0.295 0.433 1.003) 1.132 2.031 ( 1.694 0.939 1.003) 2.181 2.140 ( -1.145 -1.631 0.864) 2.173 2.140 ( 0.026 -1.528 0.864) 1.755 2.140 ( -0.026 1.528 0.864) 1.755 2.140 ( 1.145 1.631 0.864) 2.173 2.223 ( -1.133 -1.855 -0.948) 2.371 2.223 ( 1.082 -1.847 -0.948) 2.341 2.223 ( -1.082 1.847 -0.948) 2.341 2.223 ( 1.133 1.855 -0.948) 2.371 2.352 ( -0.706 -1.173 -0.989) 1.689 2.352 ( 0.613 -1.160 -0.989) 1.643 2.352 ( -0.613 1.160 -0.989) 1.643 2.352 ( 0.706 1.173 -0.989) 1.689 2.510 ( -2.892 -1.802 -0.129) 3.410 2.510 ( 2.785 -1.759 -0.129) 3.297 2.510 ( -2.785 1.759 -0.129) 3.297 2.510 ( 2.892 1.802 -0.129) 3.410 2.682 ( -1.890 -0.420 0.308) 1.961 2.682 ( -1.721 -0.155 0.308) 1.756 2.682 ( 1.722 0.155 0.308) 1.756 2.682 ( 1.890 0.420 0.308) 1.961 2.717 ( -2.163 -1.260 0.775) 2.621 2.717 ( 0.545 -0.702 0.775) 1.180 2.717 ( -0.545 0.702 0.775) 1.180 2.717 ( 2.163 1.260 0.775) 2.621 2.964 ( -2.239 -2.313 2.105) 3.846 2.964 ( 2.178 -2.298 2.105) 3.802 2.964 ( -2.178 2.298 2.105) 3.802 2.964 ( 2.239 2.313 2.105) 3.846 3.065 ( -1.950 -3.302 -0.751) 3.908 3.065 ( 1.933 -3.300 -0.751) 3.898 3.065 ( -1.933 3.300 -0.751) 3.898 3.065 ( 1.950 3.302 -0.751) 3.908 3.190 ( -1.546 -1.218 -2.371) 3.081 3.190 ( -0.085 -0.942 -2.371) 2.552 3.190 ( 0.085 0.942 -2.371) 2.552 3.190 ( 1.546 1.218 -2.371) 3.081 3.257 ( -0.457 -1.751 -0.561) 1.895 3.257 ( 0.291 -1.743 -0.561) 1.854 3.257 ( -0.291 1.743 -0.561) 1.854 3.257 ( 0.457 1.751 -0.561) 1.895 3.475 ( -2.026 -1.144 1.972) 3.050 3.475 ( -0.680 -0.631 1.972) 2.180 3.475 ( 0.680 0.631 1.972) 2.180 3.475 ( 2.026 1.144 1.972) 3.050 3.565 ( -2.500 -3.080 -3.389) 5.217 3.565 ( 0.643 -2.833 -3.389) 4.464 3.565 ( -0.643 2.833 -3.389) 4.464 3.565 ( 2.500 3.080 -3.389) 5.217 3.763 ( -1.997 -1.086 0.866) 2.432 3.763 ( -0.475 -0.489 0.866) 1.102 3.763 ( 0.475 0.489 0.866) 1.102 3.763 ( 1.997 1.086 0.866) 2.432 3.845 ( -2.788 -1.863 0.598) 3.406 3.845 ( 0.203 -1.241 0.598) 1.392 3.845 ( -0.203 1.241 0.598) 1.392 3.845 ( 2.788 1.863 0.598) 3.406 3.978 ( -5.071 -6.042 7.181) 10.668 3.978 ( 3.020 -5.689 7.181) 9.646 3.978 ( -3.020 5.689 7.181) 9.646 3.978 ( 5.071 6.042 7.181) 10.668 4.125 ( -6.881 -3.572 -7.318) 10.662 4.125 ( -1.935 -1.364 -7.318) 7.692 4.125 ( 1.935 1.364 -7.318) 7.692 4.125 ( 6.881 3.572 -7.318) 10.662 4.333 ( -5.391 -2.085 3.006) 6.515 4.333 ( -3.478 -0.326 3.006) 4.609 4.333 ( 3.478 0.326 3.006) 4.609 4.333 ( 5.391 2.085 3.006) 6.515 4.423 ( -1.490 -2.562 -1.538) 3.339 4.423 ( 1.482 -2.561 -1.538) 3.335 4.423 ( -1.482 2.561 -1.538) 3.335 4.423 ( 1.490 2.562 -1.538) 3.339 4.541 ( -1.845 -1.181 -0.572) 2.264 4.541 ( 0.478 -0.775 -0.572) 1.075 4.541 ( -0.478 0.775 -0.572) 1.075 4.541 ( 1.845 1.181 -0.572) 2.264 4.719 ( -1.507 -2.426 0.206) 2.863 4.719 ( 1.506 -2.425 0.206) 2.862 4.719 ( -1.506 2.425 0.206) 2.862 4.719 ( 1.507 2.426 0.206) 2.863 4.865 ( -1.735 -1.789 0.715) 2.592 4.865 ( 0.915 -1.630 0.715) 2.001 4.865 ( -0.915 1.630 0.715) 2.001 4.865 ( 1.735 1.789 0.715) 2.592 5.058 ( -0.632 -0.939 -0.697) 1.329 5.058 ( 0.618 -0.936 -0.697) 1.321 5.058 ( -0.618 0.936 -0.697) 1.321 5.058 ( 0.632 0.939 -0.697) 1.329 5.395 ( -3.114 -3.310 2.584) 5.228 5.395 ( 2.955 -3.274 2.584) 5.112 5.395 ( -2.955 3.274 2.584) 5.112 5.395 ( 3.114 3.310 2.584) 5.228 5.450 ( -2.495 -4.026 -2.946) 5.578 5.450 ( 2.208 -3.984 -2.946) 5.425 5.450 ( -2.208 3.984 -2.946) 5.425 5.450 ( 2.495 4.026 -2.946) 5.578 5.680 ( -0.968 -2.216 1.129) 2.669 5.680 ( 0.967 -2.216 1.129) 2.669 5.680 ( -0.967 2.216 1.129) 2.669 5.680 ( 0.968 2.216 1.129) 2.669 5.725 ( -1.160 -2.034 -0.390) 2.374 5.725 ( 1.159 -2.034 -0.390) 2.373 5.725 ( -1.159 2.034 -0.390) 2.373 5.725 ( 1.160 2.034 -0.390) 2.374 5.867 ( -0.710 -0.931 -0.054) 1.172 5.867 ( 0.099 -0.862 -0.054) 0.870 5.867 ( -0.099 0.862 -0.054) 0.870 5.867 ( 0.710 0.931 -0.054) 1.172 5.947 ( -0.589 -2.265 -0.345) 2.365 5.947 ( 0.496 -2.259 -0.345) 2.339 5.947 ( -0.496 2.259 -0.345) 2.339 5.947 ( 0.589 2.265 -0.345) 2.365 6.813 ( -0.419 -1.590 -0.582) 1.745 6.813 ( 0.399 -1.589 -0.582) 1.739 6.813 ( -0.399 1.589 -0.582) 1.739 6.813 ( 0.419 1.590 -0.582) 1.745 7.032 ( -1.732 -2.819 0.973) 3.449 7.032 ( 1.725 -2.818 0.973) 3.445 7.032 ( -1.725 2.818 0.973) 3.445 7.032 ( 1.732 2.819 0.973) 3.449 7.602 ( -2.432 -3.619 2.820) 5.193 7.602 ( 2.335 -3.603 2.820) 5.137 7.602 ( -2.335 3.603 2.820) 5.137 7.602 ( 2.432 3.619 2.820) 5.193 7.756 ( -1.272 -3.125 -4.003) 5.235 7.756 ( 1.154 -3.114 -4.003) 5.201 7.756 ( -1.154 3.114 -4.003) 5.201 7.756 ( 1.272 3.125 -4.003) 5.235 8.471 ( -0.964 -5.614 5.053) 7.614 8.471 ( 0.847 -5.609 5.053) 7.597 8.471 ( -0.847 5.609 5.053) 7.597 8.471 ( 0.964 5.614 5.053) 7.614 8.560 ( -0.399 -6.770 -3.936) 7.842 8.560 ( 0.347 -6.769 -3.936) 7.838 8.560 ( -0.347 6.769 -3.936) 7.838 8.560 ( 0.399 6.770 -3.936) 7.842 9.095 ( -0.700 -0.455 -0.090) 0.840 9.095 ( 0.688 -0.451 -0.090) 0.827 9.095 ( -0.688 0.451 -0.090) 0.827 9.095 ( 0.700 0.455 -0.090) 0.840 9.260 ( -0.050 -0.152 -0.008) 0.161 9.260 ( 0.050 -0.152 -0.008) 0.160 9.260 ( -0.050 0.152 -0.008) 0.160 9.260 ( 0.050 0.152 -0.008) 0.161 11.807 ( -1.452 -0.770 0.159) 1.651 11.807 ( 0.529 -0.368 0.159) 0.664 11.807 ( -0.529 0.368 0.159) 0.664 11.807 ( 1.452 0.770 0.159) 1.651 11.970 ( -1.086 -1.715 -0.148) 2.036 11.970 ( 1.076 -1.714 -0.148) 2.029 11.970 ( -1.076 1.714 -0.148) 2.029 11.970 ( 1.086 1.715 -0.148) 2.036 12.547 ( -0.515 -2.069 0.206) 2.142 12.547 ( 0.514 -2.069 0.206) 2.141 12.547 ( -0.514 2.069 0.206) 2.141 12.547 ( 0.515 2.069 0.206) 2.142 13.180 ( -2.504 -3.015 -0.397) 3.939 13.180 ( 2.504 -3.015 -0.397) 3.939 13.180 ( -2.504 3.015 -0.397) 3.939 13.180 ( 2.504 3.015 -0.397) 3.939 14.051 ( -2.330 -0.535 -0.326) 2.413 14.051 ( -2.285 0.484 -0.326) 2.358 14.051 ( 2.285 -0.484 -0.326) 2.358 14.051 ( 2.330 0.535 -0.326) 2.413 14.105 ( -1.384 -1.106 0.491) 1.839 14.105 ( 1.145 -1.036 0.491) 1.620 14.105 ( -1.145 1.036 0.491) 1.620 14.105 ( 1.384 1.106 0.491) 1.839 =================== 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 3/18432 10.0 255.547 214.167 209.579 0.000 0.000 0.000 3/18432 20.0 50.380 40.905 33.505 0.000 0.000 0.000 3/18432 30.0 19.503 15.737 12.389 0.000 0.000 0.000 3/18432 40.0 10.712 8.632 6.673 0.000 0.000 0.000 3/18432 50.0 7.061 5.702 4.360 0.000 0.000 0.000 3/18432 60.0 5.176 4.195 3.182 0.000 0.000 0.000 3/18432 70.0 4.058 3.301 2.490 0.000 0.000 0.000 3/18432 80.0 3.331 2.719 2.042 0.000 0.000 0.000 3/18432 90.0 2.824 2.312 1.731 0.000 0.000 0.000 3/18432 100.0 2.452 2.012 1.504 0.000 0.000 0.000 3/18432 110.0 2.169 1.783 1.331 0.000 0.000 0.000 3/18432 120.0 1.947 1.603 1.196 0.000 0.000 0.000 3/18432 130.0 1.767 1.457 1.087 0.000 0.000 0.000 3/18432 140.0 1.619 1.336 0.997 0.000 0.000 0.000 3/18432 150.0 1.495 1.234 0.921 0.000 0.000 0.000 3/18432 160.0 1.390 1.148 0.857 0.000 0.000 0.000 3/18432 170.0 1.298 1.073 0.802 0.000 0.000 0.000 3/18432 180.0 1.219 1.008 0.754 0.000 0.000 0.000 3/18432 190.0 1.149 0.950 0.711 0.000 0.000 0.000 3/18432 200.0 1.087 0.899 0.673 0.000 0.000 0.000 3/18432 210.0 1.032 0.853 0.640 0.000 0.000 0.000 3/18432 220.0 0.982 0.812 0.609 0.000 0.000 0.000 3/18432 230.0 0.937 0.775 0.582 0.000 0.000 0.000 3/18432 240.0 0.896 0.741 0.557 0.000 0.000 0.000 3/18432 250.0 0.858 0.710 0.534 0.000 0.000 0.000 3/18432 260.0 0.824 0.682 0.513 0.000 0.000 0.000 3/18432 270.0 0.792 0.655 0.493 0.000 0.000 0.000 3/18432 280.0 0.763 0.631 0.475 0.000 0.000 0.000 3/18432 290.0 0.736 0.609 0.459 0.000 0.000 0.000 3/18432 300.0 0.711 0.588 0.443 0.000 0.000 0.000 3/18432 310.0 0.687 0.568 0.429 0.000 0.000 0.000 3/18432 320.0 0.665 0.550 0.415 0.000 0.000 0.000 3/18432 330.0 0.644 0.533 0.402 0.000 0.000 0.000 3/18432 340.0 0.625 0.517 0.390 0.000 0.000 0.000 3/18432 350.0 0.607 0.502 0.379 0.000 0.000 0.000 3/18432 360.0 0.590 0.488 0.368 0.000 0.000 0.000 3/18432 370.0 0.573 0.474 0.358 0.000 0.000 0.000 3/18432 380.0 0.558 0.462 0.349 0.000 0.000 0.000 3/18432 390.0 0.544 0.450 0.340 0.000 0.000 0.000 3/18432 400.0 0.530 0.438 0.331 0.000 0.000 0.000 3/18432 410.0 0.517 0.427 0.323 0.000 0.000 0.000 3/18432 420.0 0.504 0.417 0.316 0.000 0.000 0.000 3/18432 430.0 0.492 0.407 0.308 0.000 0.000 0.000 3/18432 440.0 0.481 0.398 0.301 0.000 0.000 0.000 3/18432 450.0 0.470 0.389 0.294 0.000 0.000 0.000 3/18432 460.0 0.460 0.380 0.288 0.000 0.000 0.000 3/18432 470.0 0.450 0.372 0.282 0.000 0.000 0.000 3/18432 480.0 0.441 0.364 0.276 0.000 0.000 0.000 3/18432 490.0 0.431 0.357 0.270 0.000 0.000 0.000 3/18432 500.0 0.423 0.350 0.265 0.000 0.000 0.000 3/18432 510.0 0.414 0.343 0.260 0.000 0.000 0.000 3/18432 520.0 0.406 0.336 0.255 0.000 0.000 0.000 3/18432 530.0 0.399 0.330 0.250 0.000 0.000 0.000 3/18432 540.0 0.391 0.324 0.245 0.000 0.000 0.000 3/18432 550.0 0.384 0.318 0.241 0.000 0.000 0.000 3/18432 560.0 0.377 0.312 0.236 0.000 0.000 0.000 3/18432 570.0 0.370 0.306 0.232 0.000 0.000 0.000 3/18432 580.0 0.364 0.301 0.228 0.000 0.000 0.000 3/18432 590.0 0.358 0.296 0.224 0.000 0.000 0.000 3/18432 600.0 0.352 0.291 0.221 0.000 0.000 0.000 3/18432 610.0 0.346 0.286 0.217 0.000 0.000 0.000 3/18432 620.0 0.340 0.282 0.214 0.000 0.000 0.000 3/18432 630.0 0.335 0.277 0.210 0.000 0.000 0.000 3/18432 640.0 0.330 0.273 0.207 0.000 0.000 0.000 3/18432 650.0 0.325 0.269 0.204 0.000 0.000 0.000 3/18432 660.0 0.320 0.264 0.201 0.000 0.000 0.000 3/18432 670.0 0.315 0.260 0.198 0.000 0.000 0.000 3/18432 680.0 0.310 0.257 0.195 0.000 0.000 0.000 3/18432 690.0 0.306 0.253 0.192 0.000 0.000 0.000 3/18432 700.0 0.301 0.249 0.189 0.000 0.000 0.000 3/18432 710.0 0.297 0.246 0.186 0.000 0.000 0.000 3/18432 720.0 0.293 0.242 0.184 0.000 0.000 0.000 3/18432 730.0 0.289 0.239 0.181 0.000 0.000 0.000 3/18432 740.0 0.285 0.236 0.179 0.000 0.000 0.000 3/18432 750.0 0.281 0.233 0.177 0.000 0.000 0.000 3/18432 760.0 0.277 0.230 0.174 0.000 0.000 0.000 3/18432 770.0 0.274 0.227 0.172 0.000 0.000 0.000 3/18432 780.0 0.270 0.224 0.170 0.000 0.000 0.000 3/18432 790.0 0.267 0.221 0.168 0.000 0.000 0.000 3/18432 800.0 0.264 0.218 0.165 0.000 0.000 0.000 3/18432 810.0 0.260 0.215 0.163 0.000 0.000 0.000 3/18432 820.0 0.257 0.213 0.161 0.000 0.000 0.000 3/18432 830.0 0.254 0.210 0.160 0.000 0.000 0.000 3/18432 840.0 0.251 0.208 0.158 0.000 0.000 0.000 3/18432 850.0 0.248 0.205 0.156 0.000 0.000 0.000 3/18432 860.0 0.245 0.203 0.154 0.000 0.000 0.000 3/18432 870.0 0.242 0.200 0.152 0.000 0.000 0.000 3/18432 880.0 0.240 0.198 0.150 0.000 0.000 0.000 3/18432 890.0 0.237 0.196 0.149 0.000 0.000 0.000 3/18432 900.0 0.234 0.194 0.147 0.000 0.000 0.000 3/18432 910.0 0.232 0.192 0.145 0.000 0.000 0.000 3/18432 920.0 0.229 0.190 0.144 0.000 0.000 0.000 3/18432 930.0 0.227 0.187 0.142 0.000 0.000 0.000 3/18432 940.0 0.224 0.185 0.141 0.000 0.000 0.000 3/18432 950.0 0.222 0.184 0.139 0.000 0.000 0.000 3/18432 960.0 0.220 0.182 0.138 0.000 0.000 0.000 3/18432 970.0 0.217 0.180 0.136 0.000 0.000 0.000 3/18432 980.0 0.215 0.178 0.135 0.000 0.000 0.000 3/18432 990.0 0.213 0.176 0.134 0.000 0.000 0.000 3/18432 1000.0 0.211 0.174 0.132 0.000 0.000 0.000 3/18432 Thermal conductivity related properties were written into "kappa-m843.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:20:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|