----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:28:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.243690300789979 0.000000000000000 0.000000000000000 b 0.000000000000000 10.636089180000001 0.000000000000000 c -4.984104109211772 0.000000000000000 8.503199429742109 Atomic positions (fractional): *1 Na 0.71305937390616 0.69750350355672 0.62039788745536 22.990 *2 Na 0.75011693533148 0.06192911604082 0.57186519175545 22.990 3 Na 0.75011693533148 0.43807088395918 0.07186519175545 22.990 4 Na 0.24988306466852 0.56192911604082 0.92813480824455 22.990 5 Na 0.71305937390616 0.80249649644328 0.12039788745536 22.990 6 Na 0.24988306466852 0.93807088395918 0.42813480824455 22.990 7 Na 0.28694062609384 0.30249649644328 0.37960211254464 22.990 8 Na 0.28694062609384 0.19750350355672 0.87960211254464 22.990 *9 Si 0.87943574863836 0.18426273112349 0.97600526165582 28.085 *10 Si 0.66374108872930 0.56785119155925 0.31472723585238 28.085 11 Si 0.12056425136164 0.81573726887651 0.02399473834418 28.085 *12 Si 0.22077168760582 0.60490863959549 0.27308707484053 28.085 13 Si 0.77922831239418 0.10490863959549 0.22691292515947 28.085 14 Si 0.22077168760582 0.89509136040451 0.77308707484053 28.085 15 Si 0.87943574863836 0.31573726887651 0.47600526165582 28.085 16 Si 0.66374108872930 0.93214880844075 0.81472723585238 28.085 17 Si 0.12056425136164 0.68426273112349 0.52399473834418 28.085 18 Si 0.77922831239418 0.39509136040451 0.72691292515947 28.085 19 Si 0.33625891127070 0.43214880844075 0.68527276414762 28.085 20 Si 0.33625891127070 0.06785119155925 0.18527276414762 28.085 *21 O 0.12729754071652 0.14402626886953 0.04627016837499 15.999 *22 O 0.82757444001239 0.29419419861165 0.61800496509104 15.999 *23 O 0.60014326145699 0.89419176782393 0.64122704545649 15.999 24 O 0.60014326145699 0.60580823217607 0.14122704545649 15.999 25 O 0.17242555998761 0.79419419861165 0.88199503490896 15.999 *26 O 0.10722449350356 0.02617319785996 0.74569875762881 15.999 27 O 0.17242555998761 0.70580580138835 0.38199503490896 15.999 *28 O 0.51449826722428 0.39966096308430 0.63315066928955 15.999 29 O 0.87270245928348 0.85597373113047 0.95372983162501 15.999 *30 O 0.28463804312086 0.91532468210454 0.15449432375990 15.999 31 O 0.28463804312086 0.58467531789546 0.65449432375990 15.999 32 O 0.48550173277573 0.89966096308430 0.86684933071045 15.999 33 O 0.39985673854301 0.10580823217607 0.35877295454351 15.999 34 O 0.51449826722428 0.10033903691570 0.13315066928955 15.999 35 O 0.89277550649644 0.97382680214004 0.25430124237119 15.999 *36 O 0.14816452457665 0.82020310828007 0.60635345308418 15.999 37 O 0.87270245928348 0.64402626886953 0.45372983162501 15.999 38 O 0.71536195687913 0.41532468210454 0.34550567624010 15.999 39 O 0.14816452457665 0.67979689171993 0.10635345308418 15.999 40 O 0.10722449350356 0.47382680214004 0.24569875762881 15.999 41 O 0.71536195687913 0.08467531789546 0.84550567624010 15.999 42 O 0.12729754071652 0.35597373113047 0.54627016837499 15.999 43 O 0.89277550649644 0.52617319785996 0.75430124237119 15.999 44 O 0.82757444001239 0.20580580138835 0.11800496509104 15.999 45 O 0.48550173277573 0.60033903691570 0.36684933071045 15.999 46 O 0.85183547542335 0.32020310828006 0.89364654691582 15.999 47 O 0.85183547542335 0.17979689171993 0.39364654691582 15.999 48 O 0.39985673854301 0.39419176782393 0.85877295454351 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.243690300789979 0.000000000000000 0.000000000000000 b 0.000000000000000 10.636089180000001 0.000000000000000 c -4.984104109211772 0.000000000000000 8.503199429742109 Atomic positions (fractional): *1 Na 0.71305937390616 0.69750350355672 0.62039788745536 22.990 > 1 *2 Na 0.75011693533148 0.06192911604082 0.57186519175545 22.990 > 2 3 Na 0.75011693533148 0.43807088395918 0.07186519175545 22.990 > 3 4 Na 0.24988306466852 0.56192911604082 0.92813480824455 22.990 > 4 5 Na 0.71305937390616 0.80249649644328 0.12039788745536 22.990 > 5 6 Na 0.24988306466852 0.93807088395918 0.42813480824455 22.990 > 6 7 Na 0.28694062609384 0.30249649644328 0.37960211254464 22.990 > 7 8 Na 0.28694062609384 0.19750350355672 0.87960211254464 22.990 > 8 *9 Si 0.87943574863836 0.18426273112349 0.97600526165582 28.085 > 9 *10 Si 0.66374108872930 0.56785119155925 0.31472723585238 28.085 > 10 11 Si 0.12056425136164 0.81573726887651 0.02399473834418 28.085 > 11 *12 Si 0.22077168760582 0.60490863959549 0.27308707484053 28.085 > 12 13 Si 0.77922831239418 0.10490863959549 0.22691292515947 28.085 > 13 14 Si 0.22077168760582 0.89509136040451 0.77308707484053 28.085 > 14 15 Si 0.87943574863836 0.31573726887651 0.47600526165582 28.085 > 15 16 Si 0.66374108872930 0.93214880844075 0.81472723585238 28.085 > 16 17 Si 0.12056425136164 0.68426273112349 0.52399473834418 28.085 > 17 18 Si 0.77922831239418 0.39509136040451 0.72691292515947 28.085 > 18 19 Si 0.33625891127070 0.43214880844075 0.68527276414762 28.085 > 19 20 Si 0.33625891127070 0.06785119155925 0.18527276414762 28.085 > 20 *21 O 0.12729754071652 0.14402626886953 0.04627016837499 15.999 > 21 *22 O 0.82757444001239 0.29419419861165 0.61800496509104 15.999 > 22 *23 O 0.60014326145699 0.89419176782393 0.64122704545649 15.999 > 23 24 O 0.60014326145699 0.60580823217607 0.14122704545649 15.999 > 24 25 O 0.17242555998761 0.79419419861165 0.88199503490896 15.999 > 25 *26 O 0.10722449350356 0.02617319785996 0.74569875762881 15.999 > 26 27 O 0.17242555998761 0.70580580138835 0.38199503490896 15.999 > 27 *28 O 0.51449826722428 0.39966096308430 0.63315066928955 15.999 > 28 29 O 0.87270245928348 0.85597373113047 0.95372983162501 15.999 > 29 *30 O 0.28463804312086 0.91532468210454 0.15449432375990 15.999 > 30 31 O 0.28463804312086 0.58467531789546 0.65449432375990 15.999 > 31 32 O 0.48550173277573 0.89966096308430 0.86684933071045 15.999 > 32 33 O 0.39985673854301 0.10580823217607 0.35877295454351 15.999 > 33 34 O 0.51449826722428 0.10033903691570 0.13315066928955 15.999 > 34 35 O 0.89277550649644 0.97382680214004 0.25430124237119 15.999 > 35 *36 O 0.14816452457665 0.82020310828007 0.60635345308418 15.999 > 36 37 O 0.87270245928348 0.64402626886953 0.45372983162501 15.999 > 37 38 O 0.71536195687913 0.41532468210454 0.34550567624010 15.999 > 38 39 O 0.14816452457665 0.67979689171993 0.10635345308418 15.999 > 39 40 O 0.10722449350356 0.47382680214004 0.24569875762881 15.999 > 40 41 O 0.71536195687913 0.08467531789546 0.84550567624010 15.999 > 41 42 O 0.12729754071652 0.35597373113047 0.54627016837499 15.999 > 42 43 O 0.89277550649644 0.52617319785996 0.75430124237119 15.999 > 43 44 O 0.82757444001239 0.20580580138835 0.11800496509104 15.999 > 44 45 O 0.48550173277573 0.60033903691570 0.36684933071045 15.999 > 45 46 O 0.85183547542335 0.32020310828006 0.89364654691582 15.999 > 46 47 O 0.85183547542335 0.17979689171993 0.39364654691582 15.999 > 47 48 O 0.39985673854301 0.39419176782393 0.85877295454351 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.487380601579957 0.000000000000000 0.000000000000000 b 0.000000000000000 10.636089180000001 0.000000000000000 c -4.984104109211772 0.000000000000000 8.503199429742109 Atomic positions (fractional): *1 Na 0.35652968695308 0.69750350355672 0.62039788745536 22.990 > 1 2 Na 0.85652968695308 0.69750350355672 0.62039788745536 22.990 > 1 *3 Na 0.37505846766574 0.06192911604082 0.57186519175545 22.990 > 2 4 Na 0.87505846766574 0.06192911604082 0.57186519175545 22.990 > 2 5 Na 0.37505846766574 0.43807088395918 0.07186519175545 22.990 > 3 6 Na 0.87505846766574 0.43807088395918 0.07186519175545 22.990 > 3 7 Na 0.12494153233426 0.56192911604082 0.92813480824455 22.990 > 4 8 Na 0.62494153233426 0.56192911604082 0.92813480824455 22.990 > 4 9 Na 0.35652968695308 0.80249649644328 0.12039788745536 22.990 > 5 10 Na 0.85652968695308 0.80249649644328 0.12039788745536 22.990 > 5 11 Na 0.12494153233426 0.93807088395918 0.42813480824455 22.990 > 6 12 Na 0.62494153233426 0.93807088395918 0.42813480824455 22.990 > 6 13 Na 0.14347031304692 0.30249649644328 0.37960211254464 22.990 > 7 14 Na 0.64347031304692 0.30249649644328 0.37960211254464 22.990 > 7 15 Na 0.14347031304692 0.19750350355672 0.87960211254464 22.990 > 8 16 Na 0.64347031304692 0.19750350355672 0.87960211254464 22.990 > 8 *17 Si 0.43971787431918 0.18426273112349 0.97600526165582 28.085 > 9 18 Si 0.93971787431918 0.18426273112349 0.97600526165582 28.085 > 9 *19 Si 0.33187054436465 0.56785119155925 0.31472723585238 28.085 > 10 20 Si 0.83187054436465 0.56785119155925 0.31472723585238 28.085 > 10 21 Si 0.06028212568082 0.81573726887651 0.02399473834418 28.085 > 11 22 Si 0.56028212568082 0.81573726887651 0.02399473834418 28.085 > 11 *23 Si 0.11038584380291 0.60490863959549 0.27308707484053 28.085 > 12 24 Si 0.61038584380291 0.60490863959549 0.27308707484053 28.085 > 12 25 Si 0.38961415619709 0.10490863959549 0.22691292515947 28.085 > 13 26 Si 0.88961415619709 0.10490863959549 0.22691292515947 28.085 > 13 27 Si 0.11038584380291 0.89509136040451 0.77308707484053 28.085 > 14 28 Si 0.61038584380291 0.89509136040451 0.77308707484053 28.085 > 14 29 Si 0.43971787431918 0.31573726887651 0.47600526165582 28.085 > 15 30 Si 0.93971787431918 0.31573726887651 0.47600526165582 28.085 > 15 31 Si 0.33187054436465 0.93214880844075 0.81472723585238 28.085 > 16 32 Si 0.83187054436465 0.93214880844075 0.81472723585238 28.085 > 16 33 Si 0.06028212568082 0.68426273112349 0.52399473834418 28.085 > 17 34 Si 0.56028212568082 0.68426273112349 0.52399473834418 28.085 > 17 35 Si 0.38961415619709 0.39509136040451 0.72691292515947 28.085 > 18 36 Si 0.88961415619709 0.39509136040451 0.72691292515947 28.085 > 18 37 Si 0.16812945563535 0.43214880844075 0.68527276414762 28.085 > 19 38 Si 0.66812945563535 0.43214880844075 0.68527276414762 28.085 > 19 39 Si 0.16812945563535 0.06785119155925 0.18527276414762 28.085 > 20 40 Si 0.66812945563535 0.06785119155925 0.18527276414762 28.085 > 20 *41 O 0.06364877035826 0.14402626886953 0.04627016837499 15.999 > 21 42 O 0.56364877035826 0.14402626886953 0.04627016837499 15.999 > 21 *43 O 0.41378722000619 0.29419419861165 0.61800496509104 15.999 > 22 44 O 0.91378722000619 0.29419419861165 0.61800496509104 15.999 > 22 *45 O 0.30007163072849 0.89419176782393 0.64122704545649 15.999 > 23 46 O 0.80007163072849 0.89419176782393 0.64122704545649 15.999 > 23 47 O 0.30007163072849 0.60580823217607 0.14122704545649 15.999 > 24 48 O 0.80007163072849 0.60580823217607 0.14122704545649 15.999 > 24 49 O 0.08621277999381 0.79419419861165 0.88199503490896 15.999 > 25 50 O 0.58621277999381 0.79419419861165 0.88199503490896 15.999 > 25 *51 O 0.05361224675178 0.02617319785996 0.74569875762881 15.999 > 26 52 O 0.55361224675178 0.02617319785996 0.74569875762881 15.999 > 26 53 O 0.08621277999381 0.70580580138835 0.38199503490896 15.999 > 27 54 O 0.58621277999381 0.70580580138835 0.38199503490896 15.999 > 27 *55 O 0.25724913361214 0.39966096308430 0.63315066928955 15.999 > 28 56 O 0.75724913361214 0.39966096308430 0.63315066928955 15.999 > 28 57 O 0.43635122964174 0.85597373113047 0.95372983162501 15.999 > 29 58 O 0.93635122964174 0.85597373113047 0.95372983162501 15.999 > 29 *59 O 0.14231902156043 0.91532468210454 0.15449432375990 15.999 > 30 60 O 0.64231902156043 0.91532468210454 0.15449432375990 15.999 > 30 61 O 0.14231902156043 0.58467531789546 0.65449432375990 15.999 > 31 62 O 0.64231902156043 0.58467531789546 0.65449432375990 15.999 > 31 63 O 0.24275086638786 0.89966096308430 0.86684933071045 15.999 > 32 64 O 0.74275086638786 0.89966096308430 0.86684933071045 15.999 > 32 65 O 0.19992836927151 0.10580823217607 0.35877295454351 15.999 > 33 66 O 0.69992836927151 0.10580823217607 0.35877295454351 15.999 > 33 67 O 0.25724913361214 0.10033903691570 0.13315066928955 15.999 > 34 68 O 0.75724913361214 0.10033903691570 0.13315066928955 15.999 > 34 69 O 0.44638775324822 0.97382680214004 0.25430124237119 15.999 > 35 70 O 0.94638775324822 0.97382680214004 0.25430124237119 15.999 > 35 *71 O 0.07408226228833 0.82020310828007 0.60635345308418 15.999 > 36 72 O 0.57408226228833 0.82020310828007 0.60635345308418 15.999 > 36 73 O 0.43635122964174 0.64402626886953 0.45372983162501 15.999 > 37 74 O 0.93635122964174 0.64402626886953 0.45372983162501 15.999 > 37 75 O 0.35768097843957 0.41532468210454 0.34550567624010 15.999 > 38 76 O 0.85768097843957 0.41532468210454 0.34550567624010 15.999 > 38 77 O 0.07408226228833 0.67979689171993 0.10635345308418 15.999 > 39 78 O 0.57408226228833 0.67979689171993 0.10635345308418 15.999 > 39 79 O 0.05361224675178 0.47382680214004 0.24569875762881 15.999 > 40 80 O 0.55361224675178 0.47382680214004 0.24569875762881 15.999 > 40 81 O 0.35768097843957 0.08467531789546 0.84550567624010 15.999 > 41 82 O 0.85768097843957 0.08467531789546 0.84550567624010 15.999 > 41 83 O 0.06364877035826 0.35597373113047 0.54627016837499 15.999 > 42 84 O 0.56364877035826 0.35597373113047 0.54627016837499 15.999 > 42 85 O 0.44638775324822 0.52617319785996 0.75430124237119 15.999 > 43 86 O 0.94638775324822 0.52617319785996 0.75430124237119 15.999 > 43 87 O 0.41378722000619 0.20580580138835 0.11800496509104 15.999 > 44 88 O 0.91378722000619 0.20580580138835 0.11800496509104 15.999 > 44 89 O 0.24275086638786 0.60033903691570 0.36684933071045 15.999 > 45 90 O 0.74275086638786 0.60033903691570 0.36684933071045 15.999 > 45 91 O 0.42591773771167 0.32020310828006 0.89364654691582 15.999 > 46 92 O 0.92591773771167 0.32020310828006 0.89364654691582 15.999 > 46 93 O 0.42591773771167 0.17979689171993 0.39364654691582 15.999 > 47 94 O 0.92591773771167 0.17979689171993 0.39364654691582 15.999 > 47 95 O 0.19992836927151 0.39419176782393 0.85877295454351 15.999 > 48 96 O 0.69992836927151 0.39419176782393 0.85877295454351 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4256397 0.0000000 -0.0165101 0.0000000 2.3549146 0.0000000 -0.0165103 0.0000000 2.3747192 -------------------------- Born effective charges -------------------------- 1 Na 1.0663483 -0.0298446 0.0112474 -0.0533491 1.1275772 0.0860352 0.0135223 0.1660799 1.0371884 2 Na 1.0297920 0.0611755 0.0100449 0.0443119 1.0367406 -0.1327522 -0.0022003 -0.1453047 1.1855791 3 Na 1.0297920 -0.0611755 0.0100449 -0.0443119 1.0367406 0.1327522 -0.0022003 0.1453047 1.1855791 4 Na 1.0297920 -0.0611755 0.0100449 -0.0443119 1.0367406 0.1327522 -0.0022003 0.1453047 1.1855791 5 Na 1.0663483 0.0298446 0.0112474 0.0533491 1.1275772 -0.0860352 0.0135223 -0.1660799 1.0371884 6 Na 1.0297920 0.0611755 0.0100449 0.0443119 1.0367406 -0.1327522 -0.0022003 -0.1453047 1.1855791 7 Na 1.0663483 -0.0298446 0.0112474 -0.0533491 1.1275772 0.0860352 0.0135223 0.1660799 1.0371884 8 Na 1.0663483 0.0298446 0.0112474 0.0533491 1.1275772 -0.0860352 0.0135223 -0.1660799 1.0371884 9 Si 3.1353702 -0.0754055 -0.1193940 -0.0082913 3.3592506 -0.0633057 0.0115184 -0.4771038 3.2216892 10 Si 3.2816667 -0.1015887 0.1808327 -0.1233364 2.7738090 -0.1631879 0.2379050 -0.2891095 2.8080566 11 Si 3.1353702 -0.0754055 -0.1193940 -0.0082913 3.3592506 -0.0633057 0.0115184 -0.4771038 3.2216892 12 Si 3.2342979 -0.0558840 -0.0682135 0.0811166 2.7465982 -0.5755290 -0.2606046 -0.0580368 2.9282963 13 Si 3.2342979 0.0558840 -0.0682135 -0.0811166 2.7465982 0.5755290 -0.2606046 0.0580368 2.9282963 14 Si 3.2342979 0.0558840 -0.0682135 -0.0811166 2.7465982 0.5755290 -0.2606046 0.0580368 2.9282963 15 Si 3.1353702 0.0754055 -0.1193940 0.0082913 3.3592506 0.0633057 0.0115184 0.4771038 3.2216892 16 Si 3.2816667 0.1015887 0.1808327 0.1233364 2.7738090 0.1631879 0.2379050 0.2891095 2.8080566 17 Si 3.1353702 0.0754055 -0.1193940 0.0082913 3.3592506 0.0633057 0.0115184 0.4771038 3.2216892 18 Si 3.2342979 -0.0558840 -0.0682135 0.0811166 2.7465982 -0.5755290 -0.2606046 -0.0580368 2.9282963 19 Si 3.2816667 -0.1015887 0.1808327 -0.1233364 2.7738090 -0.1631879 0.2379050 -0.2891095 2.8080566 20 Si 3.2816667 0.1015887 0.1808327 0.1233364 2.7738090 0.1631879 0.2379050 0.2891095 2.8080566 21 O -2.0873738 0.4886243 -0.6796004 0.4502110 -1.3106806 0.3701473 -0.6390700 0.4130018 -1.6867787 22 O -1.7515770 0.3014543 0.7923596 0.1378150 -1.4392044 -0.1448365 0.7064402 -0.3609764 -1.8474325 23 O -1.3824299 -0.0001433 0.0411083 -0.0128134 -1.2480436 -0.1892569 0.0557201 -0.1527346 -1.7282833 24 O -1.3824299 0.0001433 0.0411083 0.0128134 -1.2480436 0.1892569 0.0557201 0.1527346 -1.7282833 25 O -1.7515770 -0.3014543 0.7923596 -0.1378150 -1.4392044 0.1448365 0.7064402 0.3609764 -1.8474325 26 O -1.4320578 0.2059414 -0.0415449 0.2122057 -1.6290294 0.0429048 -0.0049511 0.1055309 -1.2519897 27 O -1.7515770 0.3014543 0.7923596 0.1378150 -1.4392044 -0.1448365 0.7064402 -0.3609764 -1.8474325 28 O -2.7653881 0.1812643 -0.1514061 0.3103411 -1.0036895 0.1205229 -0.2453735 0.0309830 -1.2482736 29 O -2.0873738 0.4886243 -0.6796004 0.4502110 -1.3106806 0.3701473 -0.6390700 0.4130018 -1.6867787 30 O -1.1983515 -0.3466146 -0.1738090 -0.3120104 -2.3565697 -0.6379646 -0.1523568 -0.5187623 -1.4520891 31 O -1.1983515 0.3466146 -0.1738090 0.3120104 -2.3565697 0.6379646 -0.1523568 0.5187623 -1.4520891 32 O -2.7653881 -0.1812643 -0.1514061 -0.3103411 -1.0036895 -0.1205229 -0.2453735 -0.0309830 -1.2482736 33 O -1.3824299 -0.0001433 0.0411083 -0.0128134 -1.2480436 -0.1892569 0.0557201 -0.1527346 -1.7282833 34 O -2.7653881 -0.1812643 -0.1514061 -0.3103411 -1.0036895 -0.1205229 -0.2453735 -0.0309830 -1.2482736 35 O -1.4320578 0.2059414 -0.0415449 0.2122057 -1.6290294 0.0429048 -0.0049511 0.1055309 -1.2519897 36 O -1.1302969 0.1488101 0.1983750 0.1997493 -2.0567585 -0.9066346 0.2794503 -0.9743325 -1.9659627 37 O -2.0873738 -0.4886243 -0.6796004 -0.4502110 -1.3106806 -0.3701473 -0.6390700 -0.4130018 -1.6867787 38 O -1.1983515 0.3466146 -0.1738090 0.3120104 -2.3565697 0.6379646 -0.1523568 0.5187623 -1.4520891 39 O -1.1302969 -0.1488101 0.1983750 -0.1997493 -2.0567585 0.9066346 0.2794503 0.9743325 -1.9659627 40 O -1.4320578 -0.2059414 -0.0415449 -0.2122057 -1.6290294 -0.0429048 -0.0049511 -0.1055309 -1.2519897 41 O -1.1983515 -0.3466146 -0.1738090 -0.3120104 -2.3565697 -0.6379646 -0.1523568 -0.5187623 -1.4520891 42 O -2.0873738 -0.4886243 -0.6796004 -0.4502110 -1.3106806 -0.3701473 -0.6390700 -0.4130018 -1.6867787 43 O -1.4320578 -0.2059414 -0.0415449 -0.2122057 -1.6290294 -0.0429048 -0.0049511 -0.1055309 -1.2519897 44 O -1.7515770 -0.3014543 0.7923596 -0.1378150 -1.4392044 0.1448365 0.7064402 0.3609764 -1.8474325 45 O -2.7653881 0.1812643 -0.1514061 0.3103411 -1.0036895 0.1205229 -0.2453735 0.0309830 -1.2482736 46 O -1.1302969 -0.1488101 0.1983750 -0.1997493 -2.0567585 0.9066346 0.2794503 0.9743325 -1.9659627 47 O -1.1302969 0.1488101 0.1983750 0.1997493 -2.0567585 -0.9066346 0.2794503 -0.9743325 -1.9659627 48 O -1.3824299 0.0001433 0.0411083 0.0128134 -1.2480436 0.1892569 0.0557201 0.1527346 -1.7282833 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 133 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 43 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 133 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 43 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 43), data: (1152, 67) @ (67, 43) |-- (152, 133), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 234), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 43), data: (1152, 67) @ (67, 43) |-- (152, 133), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 234), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.220 Solver_block: 200 / 1440 - Time: 1.024 Solver_block: 300 / 1440 - Time: 1.025 Solver_block: 400 / 1440 - Time: 1.030 Solver_block: 500 / 1440 - Time: 1.030 Solver_block: 600 / 1440 - Time: 1.024 Solver_block: 700 / 1440 - Time: 1.030 Solver_block: 800 / 1440 - Time: 1.019 Solver_block: 900 / 1440 - Time: 1.021 Solver_block: 1000 / 1440 - Time: 1.024 Solver_block: 1100 / 1440 - Time: 1.022 Solver_block: 1200 / 1440 - Time: 1.020 Solver_block: 1300 / 1440 - Time: 1.017 Solver_block: 1400 / 1440 - Time: 1.020 Solver_block: 1440 / 1440 - Time: 0.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.478 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 133 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 43 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 133 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 43 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 43), data: (1152, 67) @ (67, 43) |-- (152, 133), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 234), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 43), data: (1152, 67) @ (67, 43) |-- (152, 133), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 227), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 16), data: (500, 40) @ (40, 16) |-- (250, 234), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:29:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:29:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.243690300789979 0.000000000000000 0.000000000000000 b 0.000000000000000 10.636089180000001 0.000000000000000 c -4.984104109211772 0.000000000000000 8.503199429742109 Atomic positions (fractional): 1 Na 0.71305937390616 0.69750350355672 0.62039788745536 22.990 2 Na 0.75011693533148 0.06192911604082 0.57186519175545 22.990 3 Na 0.75011693533148 0.43807088395918 0.07186519175545 22.990 4 Na 0.24988306466852 0.56192911604082 0.92813480824455 22.990 5 Na 0.71305937390616 0.80249649644328 0.12039788745536 22.990 6 Na 0.24988306466852 0.93807088395918 0.42813480824455 22.990 7 Na 0.28694062609384 0.30249649644328 0.37960211254464 22.990 8 Na 0.28694062609384 0.19750350355672 0.87960211254464 22.990 9 Si 0.87943574863836 0.18426273112349 0.97600526165582 28.085 10 Si 0.66374108872930 0.56785119155925 0.31472723585238 28.085 11 Si 0.12056425136164 0.81573726887651 0.02399473834418 28.085 12 Si 0.22077168760582 0.60490863959549 0.27308707484053 28.085 13 Si 0.77922831239418 0.10490863959549 0.22691292515947 28.085 14 Si 0.22077168760582 0.89509136040451 0.77308707484053 28.085 15 Si 0.87943574863836 0.31573726887651 0.47600526165582 28.085 16 Si 0.66374108872930 0.93214880844075 0.81472723585238 28.085 17 Si 0.12056425136164 0.68426273112349 0.52399473834418 28.085 18 Si 0.77922831239418 0.39509136040451 0.72691292515947 28.085 19 Si 0.33625891127070 0.43214880844075 0.68527276414762 28.085 20 Si 0.33625891127070 0.06785119155925 0.18527276414762 28.085 21 O 0.12729754071652 0.14402626886953 0.04627016837499 15.999 22 O 0.82757444001239 0.29419419861165 0.61800496509104 15.999 23 O 0.60014326145699 0.89419176782393 0.64122704545649 15.999 24 O 0.60014326145699 0.60580823217607 0.14122704545649 15.999 25 O 0.17242555998761 0.79419419861165 0.88199503490896 15.999 26 O 0.10722449350356 0.02617319785996 0.74569875762881 15.999 27 O 0.17242555998761 0.70580580138835 0.38199503490896 15.999 28 O 0.51449826722428 0.39966096308430 0.63315066928955 15.999 29 O 0.87270245928348 0.85597373113047 0.95372983162501 15.999 30 O 0.28463804312086 0.91532468210454 0.15449432375990 15.999 31 O 0.28463804312086 0.58467531789546 0.65449432375990 15.999 32 O 0.48550173277573 0.89966096308430 0.86684933071045 15.999 33 O 0.39985673854301 0.10580823217607 0.35877295454351 15.999 34 O 0.51449826722428 0.10033903691570 0.13315066928955 15.999 35 O 0.89277550649644 0.97382680214004 0.25430124237119 15.999 36 O 0.14816452457665 0.82020310828007 0.60635345308418 15.999 37 O 0.87270245928348 0.64402626886953 0.45372983162501 15.999 38 O 0.71536195687913 0.41532468210454 0.34550567624010 15.999 39 O 0.14816452457665 0.67979689171993 0.10635345308418 15.999 40 O 0.10722449350356 0.47382680214004 0.24569875762881 15.999 41 O 0.71536195687913 0.08467531789546 0.84550567624010 15.999 42 O 0.12729754071652 0.35597373113047 0.54627016837499 15.999 43 O 0.89277550649644 0.52617319785996 0.75430124237119 15.999 44 O 0.82757444001239 0.20580580138835 0.11800496509104 15.999 45 O 0.48550173277573 0.60033903691570 0.36684933071045 15.999 46 O 0.85183547542335 0.32020310828006 0.89364654691582 15.999 47 O 0.85183547542335 0.17979689171993 0.39364654691582 15.999 48 O 0.39985673854301 0.39419176782393 0.85877295454351 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.487380601579957 0.000000000000000 0.000000000000000 b 0.000000000000000 10.636089180000001 0.000000000000000 c -4.984104109211772 0.000000000000000 8.503199429742109 Atomic positions (fractional): 1 Na 0.35652968695308 0.69750350355672 0.62039788745536 22.990 > 1 2 Na 0.85652968695308 0.69750350355672 0.62039788745536 22.990 > 1 3 Na 0.37505846766574 0.06192911604082 0.57186519175545 22.990 > 3 4 Na 0.87505846766574 0.06192911604082 0.57186519175545 22.990 > 3 5 Na 0.37505846766574 0.43807088395918 0.07186519175545 22.990 > 5 6 Na 0.87505846766574 0.43807088395918 0.07186519175545 22.990 > 5 7 Na 0.12494153233426 0.56192911604082 0.92813480824455 22.990 > 7 8 Na 0.62494153233426 0.56192911604082 0.92813480824455 22.990 > 7 9 Na 0.35652968695308 0.80249649644328 0.12039788745536 22.990 > 9 10 Na 0.85652968695308 0.80249649644328 0.12039788745536 22.990 > 9 11 Na 0.12494153233426 0.93807088395918 0.42813480824455 22.990 > 11 12 Na 0.62494153233426 0.93807088395918 0.42813480824455 22.990 > 11 13 Na 0.14347031304692 0.30249649644328 0.37960211254464 22.990 > 13 14 Na 0.64347031304692 0.30249649644328 0.37960211254464 22.990 > 13 15 Na 0.14347031304692 0.19750350355672 0.87960211254464 22.990 > 15 16 Na 0.64347031304692 0.19750350355672 0.87960211254464 22.990 > 15 17 Si 0.43971787431918 0.18426273112349 0.97600526165582 28.085 > 17 18 Si 0.93971787431918 0.18426273112349 0.97600526165582 28.085 > 17 19 Si 0.33187054436465 0.56785119155925 0.31472723585238 28.085 > 19 20 Si 0.83187054436465 0.56785119155925 0.31472723585238 28.085 > 19 21 Si 0.06028212568082 0.81573726887651 0.02399473834418 28.085 > 21 22 Si 0.56028212568082 0.81573726887651 0.02399473834418 28.085 > 21 23 Si 0.11038584380291 0.60490863959549 0.27308707484053 28.085 > 23 24 Si 0.61038584380291 0.60490863959549 0.27308707484053 28.085 > 23 25 Si 0.38961415619709 0.10490863959549 0.22691292515947 28.085 > 25 26 Si 0.88961415619709 0.10490863959549 0.22691292515947 28.085 > 25 27 Si 0.11038584380291 0.89509136040451 0.77308707484053 28.085 > 27 28 Si 0.61038584380291 0.89509136040451 0.77308707484053 28.085 > 27 29 Si 0.43971787431918 0.31573726887651 0.47600526165582 28.085 > 29 30 Si 0.93971787431918 0.31573726887651 0.47600526165582 28.085 > 29 31 Si 0.33187054436465 0.93214880844075 0.81472723585238 28.085 > 31 32 Si 0.83187054436465 0.93214880844075 0.81472723585238 28.085 > 31 33 Si 0.06028212568082 0.68426273112349 0.52399473834418 28.085 > 33 34 Si 0.56028212568082 0.68426273112349 0.52399473834418 28.085 > 33 35 Si 0.38961415619709 0.39509136040451 0.72691292515947 28.085 > 35 36 Si 0.88961415619709 0.39509136040451 0.72691292515947 28.085 > 35 37 Si 0.16812945563535 0.43214880844075 0.68527276414762 28.085 > 37 38 Si 0.66812945563535 0.43214880844075 0.68527276414762 28.085 > 37 39 Si 0.16812945563535 0.06785119155925 0.18527276414762 28.085 > 39 40 Si 0.66812945563535 0.06785119155925 0.18527276414762 28.085 > 39 41 O 0.06364877035826 0.14402626886953 0.04627016837499 15.999 > 41 42 O 0.56364877035826 0.14402626886953 0.04627016837499 15.999 > 41 43 O 0.41378722000619 0.29419419861165 0.61800496509104 15.999 > 43 44 O 0.91378722000619 0.29419419861165 0.61800496509104 15.999 > 43 45 O 0.30007163072849 0.89419176782393 0.64122704545649 15.999 > 45 46 O 0.80007163072849 0.89419176782393 0.64122704545649 15.999 > 45 47 O 0.30007163072849 0.60580823217607 0.14122704545649 15.999 > 47 48 O 0.80007163072849 0.60580823217607 0.14122704545649 15.999 > 47 49 O 0.08621277999381 0.79419419861165 0.88199503490896 15.999 > 49 50 O 0.58621277999381 0.79419419861165 0.88199503490896 15.999 > 49 51 O 0.05361224675178 0.02617319785996 0.74569875762881 15.999 > 51 52 O 0.55361224675178 0.02617319785996 0.74569875762881 15.999 > 51 53 O 0.08621277999381 0.70580580138835 0.38199503490896 15.999 > 53 54 O 0.58621277999381 0.70580580138835 0.38199503490896 15.999 > 53 55 O 0.25724913361214 0.39966096308430 0.63315066928955 15.999 > 55 56 O 0.75724913361214 0.39966096308430 0.63315066928955 15.999 > 55 57 O 0.43635122964174 0.85597373113047 0.95372983162501 15.999 > 57 58 O 0.93635122964174 0.85597373113047 0.95372983162501 15.999 > 57 59 O 0.14231902156043 0.91532468210454 0.15449432375990 15.999 > 59 60 O 0.64231902156043 0.91532468210454 0.15449432375990 15.999 > 59 61 O 0.14231902156043 0.58467531789546 0.65449432375990 15.999 > 61 62 O 0.64231902156043 0.58467531789546 0.65449432375990 15.999 > 61 63 O 0.24275086638786 0.89966096308430 0.86684933071045 15.999 > 63 64 O 0.74275086638786 0.89966096308430 0.86684933071045 15.999 > 63 65 O 0.19992836927151 0.10580823217607 0.35877295454351 15.999 > 65 66 O 0.69992836927151 0.10580823217607 0.35877295454351 15.999 > 65 67 O 0.25724913361214 0.10033903691570 0.13315066928955 15.999 > 67 68 O 0.75724913361214 0.10033903691570 0.13315066928955 15.999 > 67 69 O 0.44638775324822 0.97382680214004 0.25430124237119 15.999 > 69 70 O 0.94638775324822 0.97382680214004 0.25430124237119 15.999 > 69 71 O 0.07408226228833 0.82020310828007 0.60635345308418 15.999 > 71 72 O 0.57408226228833 0.82020310828007 0.60635345308418 15.999 > 71 73 O 0.43635122964174 0.64402626886953 0.45372983162501 15.999 > 73 74 O 0.93635122964174 0.64402626886953 0.45372983162501 15.999 > 73 75 O 0.35768097843957 0.41532468210454 0.34550567624010 15.999 > 75 76 O 0.85768097843957 0.41532468210454 0.34550567624010 15.999 > 75 77 O 0.07408226228833 0.67979689171993 0.10635345308418 15.999 > 77 78 O 0.57408226228833 0.67979689171993 0.10635345308418 15.999 > 77 79 O 0.05361224675178 0.47382680214004 0.24569875762881 15.999 > 79 80 O 0.55361224675178 0.47382680214004 0.24569875762881 15.999 > 79 81 O 0.35768097843957 0.08467531789546 0.84550567624010 15.999 > 81 82 O 0.85768097843957 0.08467531789546 0.84550567624010 15.999 > 81 83 O 0.06364877035826 0.35597373113047 0.54627016837499 15.999 > 83 84 O 0.56364877035826 0.35597373113047 0.54627016837499 15.999 > 83 85 O 0.44638775324822 0.52617319785996 0.75430124237119 15.999 > 85 86 O 0.94638775324822 0.52617319785996 0.75430124237119 15.999 > 85 87 O 0.41378722000619 0.20580580138835 0.11800496509104 15.999 > 87 88 O 0.91378722000619 0.20580580138835 0.11800496509104 15.999 > 87 89 O 0.24275086638786 0.60033903691570 0.36684933071045 15.999 > 89 90 O 0.74275086638786 0.60033903691570 0.36684933071045 15.999 > 89 91 O 0.42591773771167 0.32020310828006 0.89364654691582 15.999 > 91 92 O 0.92591773771167 0.32020310828006 0.89364654691582 15.999 > 91 93 O 0.42591773771167 0.17979689171993 0.39364654691582 15.999 > 93 94 O 0.92591773771167 0.17979689171993 0.39364654691582 15.999 > 93 95 O 0.19992836927151 0.39419176782393 0.85877295454351 15.999 > 95 96 O 0.69992836927151 0.39419176782393 0.85877295454351 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4256397 0.0000000 -0.0165101 0.0000000 2.3549146 0.0000000 -0.0165103 0.0000000 2.3747192 -------------------------- Born effective charges -------------------------- 1 Na 1.0663483 -0.0298446 0.0112474 -0.0533491 1.1275772 0.0860352 0.0135223 0.1660799 1.0371884 2 Na 1.0297920 0.0611755 0.0100449 0.0443119 1.0367406 -0.1327522 -0.0022003 -0.1453047 1.1855791 3 Na 1.0297920 -0.0611755 0.0100449 -0.0443119 1.0367406 0.1327522 -0.0022003 0.1453047 1.1855791 4 Na 1.0297920 -0.0611755 0.0100449 -0.0443119 1.0367406 0.1327522 -0.0022003 0.1453047 1.1855791 5 Na 1.0663483 0.0298446 0.0112474 0.0533491 1.1275772 -0.0860352 0.0135223 -0.1660799 1.0371884 6 Na 1.0297920 0.0611755 0.0100449 0.0443119 1.0367406 -0.1327522 -0.0022003 -0.1453047 1.1855791 7 Na 1.0663483 -0.0298446 0.0112474 -0.0533491 1.1275772 0.0860352 0.0135223 0.1660799 1.0371884 8 Na 1.0663483 0.0298446 0.0112474 0.0533491 1.1275772 -0.0860352 0.0135223 -0.1660799 1.0371884 9 Si 3.1353702 -0.0754055 -0.1193940 -0.0082913 3.3592506 -0.0633057 0.0115184 -0.4771038 3.2216892 10 Si 3.2816667 -0.1015887 0.1808327 -0.1233364 2.7738090 -0.1631879 0.2379050 -0.2891095 2.8080566 11 Si 3.1353702 -0.0754055 -0.1193940 -0.0082913 3.3592506 -0.0633057 0.0115184 -0.4771038 3.2216892 12 Si 3.2342979 -0.0558840 -0.0682135 0.0811166 2.7465982 -0.5755290 -0.2606046 -0.0580368 2.9282963 13 Si 3.2342979 0.0558840 -0.0682135 -0.0811166 2.7465982 0.5755290 -0.2606046 0.0580368 2.9282963 14 Si 3.2342979 0.0558840 -0.0682135 -0.0811166 2.7465982 0.5755290 -0.2606046 0.0580368 2.9282963 15 Si 3.1353702 0.0754055 -0.1193940 0.0082913 3.3592506 0.0633057 0.0115184 0.4771038 3.2216892 16 Si 3.2816667 0.1015887 0.1808327 0.1233364 2.7738090 0.1631879 0.2379050 0.2891095 2.8080566 17 Si 3.1353702 0.0754055 -0.1193940 0.0082913 3.3592506 0.0633057 0.0115184 0.4771038 3.2216892 18 Si 3.2342979 -0.0558840 -0.0682135 0.0811166 2.7465982 -0.5755290 -0.2606046 -0.0580368 2.9282963 19 Si 3.2816667 -0.1015887 0.1808327 -0.1233364 2.7738090 -0.1631879 0.2379050 -0.2891095 2.8080566 20 Si 3.2816667 0.1015887 0.1808327 0.1233364 2.7738090 0.1631879 0.2379050 0.2891095 2.8080566 21 O -2.0873738 0.4886243 -0.6796004 0.4502110 -1.3106806 0.3701473 -0.6390700 0.4130018 -1.6867787 22 O -1.7515770 0.3014543 0.7923596 0.1378150 -1.4392044 -0.1448365 0.7064402 -0.3609764 -1.8474325 23 O -1.3824299 -0.0001433 0.0411083 -0.0128134 -1.2480436 -0.1892569 0.0557201 -0.1527346 -1.7282833 24 O -1.3824299 0.0001433 0.0411083 0.0128134 -1.2480436 0.1892569 0.0557201 0.1527346 -1.7282833 25 O -1.7515770 -0.3014543 0.7923596 -0.1378150 -1.4392044 0.1448365 0.7064402 0.3609764 -1.8474325 26 O -1.4320578 0.2059414 -0.0415449 0.2122057 -1.6290294 0.0429048 -0.0049511 0.1055309 -1.2519897 27 O -1.7515770 0.3014543 0.7923596 0.1378150 -1.4392044 -0.1448365 0.7064402 -0.3609764 -1.8474325 28 O -2.7653881 0.1812643 -0.1514061 0.3103411 -1.0036895 0.1205229 -0.2453735 0.0309830 -1.2482736 29 O -2.0873738 0.4886243 -0.6796004 0.4502110 -1.3106806 0.3701473 -0.6390700 0.4130018 -1.6867787 30 O -1.1983515 -0.3466146 -0.1738090 -0.3120104 -2.3565697 -0.6379646 -0.1523568 -0.5187623 -1.4520891 31 O -1.1983515 0.3466146 -0.1738090 0.3120104 -2.3565697 0.6379646 -0.1523568 0.5187623 -1.4520891 32 O -2.7653881 -0.1812643 -0.1514061 -0.3103411 -1.0036895 -0.1205229 -0.2453735 -0.0309830 -1.2482736 33 O -1.3824299 -0.0001433 0.0411083 -0.0128134 -1.2480436 -0.1892569 0.0557201 -0.1527346 -1.7282833 34 O -2.7653881 -0.1812643 -0.1514061 -0.3103411 -1.0036895 -0.1205229 -0.2453735 -0.0309830 -1.2482736 35 O -1.4320578 0.2059414 -0.0415449 0.2122057 -1.6290294 0.0429048 -0.0049511 0.1055309 -1.2519897 36 O -1.1302969 0.1488101 0.1983750 0.1997493 -2.0567585 -0.9066346 0.2794503 -0.9743325 -1.9659627 37 O -2.0873738 -0.4886243 -0.6796004 -0.4502110 -1.3106806 -0.3701473 -0.6390700 -0.4130018 -1.6867787 38 O -1.1983515 0.3466146 -0.1738090 0.3120104 -2.3565697 0.6379646 -0.1523568 0.5187623 -1.4520891 39 O -1.1302969 -0.1488101 0.1983750 -0.1997493 -2.0567585 0.9066346 0.2794503 0.9743325 -1.9659627 40 O -1.4320578 -0.2059414 -0.0415449 -0.2122057 -1.6290294 -0.0429048 -0.0049511 -0.1055309 -1.2519897 41 O -1.1983515 -0.3466146 -0.1738090 -0.3120104 -2.3565697 -0.6379646 -0.1523568 -0.5187623 -1.4520891 42 O -2.0873738 -0.4886243 -0.6796004 -0.4502110 -1.3106806 -0.3701473 -0.6390700 -0.4130018 -1.6867787 43 O -1.4320578 -0.2059414 -0.0415449 -0.2122057 -1.6290294 -0.0429048 -0.0049511 -0.1055309 -1.2519897 44 O -1.7515770 -0.3014543 0.7923596 -0.1378150 -1.4392044 0.1448365 0.7064402 0.3609764 -1.8474325 45 O -2.7653881 0.1812643 -0.1514061 0.3103411 -1.0036895 0.1205229 -0.2453735 0.0309830 -1.2482736 46 O -1.1302969 -0.1488101 0.1983750 -0.1997493 -2.0567585 0.9066346 0.2794503 0.9743325 -1.9659627 47 O -1.1302969 0.1488101 0.1983750 0.1997493 -2.0567585 -0.9066346 0.2794503 -0.9743325 -1.9659627 48 O -1.3824299 0.0001433 0.0411083 0.0128134 -1.2480436 0.1892569 0.0557201 0.1527346 -1.7282833 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 3, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 19, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 23, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 51, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 55, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 59, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 71, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:29:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:29:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.243690300789979 0.000000000000000 0.000000000000000 b 0.000000000000000 10.636089180000001 0.000000000000000 c -4.984104109211772 0.000000000000000 8.503199429742109 Atomic positions (fractional): 1 Na 0.71305937390616 0.69750350355672 0.62039788745536 22.990 2 Na 0.75011693533148 0.06192911604082 0.57186519175545 22.990 3 Na 0.75011693533148 0.43807088395918 0.07186519175545 22.990 4 Na 0.24988306466852 0.56192911604082 0.92813480824455 22.990 5 Na 0.71305937390616 0.80249649644328 0.12039788745536 22.990 6 Na 0.24988306466852 0.93807088395918 0.42813480824455 22.990 7 Na 0.28694062609384 0.30249649644328 0.37960211254464 22.990 8 Na 0.28694062609384 0.19750350355672 0.87960211254464 22.990 9 Si 0.87943574863836 0.18426273112349 0.97600526165582 28.085 10 Si 0.66374108872930 0.56785119155925 0.31472723585238 28.085 11 Si 0.12056425136164 0.81573726887651 0.02399473834418 28.085 12 Si 0.22077168760582 0.60490863959549 0.27308707484053 28.085 13 Si 0.77922831239418 0.10490863959549 0.22691292515947 28.085 14 Si 0.22077168760582 0.89509136040451 0.77308707484053 28.085 15 Si 0.87943574863836 0.31573726887651 0.47600526165582 28.085 16 Si 0.66374108872930 0.93214880844075 0.81472723585238 28.085 17 Si 0.12056425136164 0.68426273112349 0.52399473834418 28.085 18 Si 0.77922831239418 0.39509136040451 0.72691292515947 28.085 19 Si 0.33625891127070 0.43214880844075 0.68527276414762 28.085 20 Si 0.33625891127070 0.06785119155925 0.18527276414762 28.085 21 O 0.12729754071652 0.14402626886953 0.04627016837499 15.999 22 O 0.82757444001239 0.29419419861165 0.61800496509104 15.999 23 O 0.60014326145699 0.89419176782393 0.64122704545649 15.999 24 O 0.60014326145699 0.60580823217607 0.14122704545649 15.999 25 O 0.17242555998761 0.79419419861165 0.88199503490896 15.999 26 O 0.10722449350356 0.02617319785996 0.74569875762881 15.999 27 O 0.17242555998761 0.70580580138835 0.38199503490896 15.999 28 O 0.51449826722428 0.39966096308430 0.63315066928955 15.999 29 O 0.87270245928348 0.85597373113047 0.95372983162501 15.999 30 O 0.28463804312086 0.91532468210454 0.15449432375990 15.999 31 O 0.28463804312086 0.58467531789546 0.65449432375990 15.999 32 O 0.48550173277573 0.89966096308430 0.86684933071045 15.999 33 O 0.39985673854301 0.10580823217607 0.35877295454351 15.999 34 O 0.51449826722428 0.10033903691570 0.13315066928955 15.999 35 O 0.89277550649644 0.97382680214004 0.25430124237119 15.999 36 O 0.14816452457665 0.82020310828007 0.60635345308418 15.999 37 O 0.87270245928348 0.64402626886953 0.45372983162501 15.999 38 O 0.71536195687913 0.41532468210454 0.34550567624010 15.999 39 O 0.14816452457665 0.67979689171993 0.10635345308418 15.999 40 O 0.10722449350356 0.47382680214004 0.24569875762881 15.999 41 O 0.71536195687913 0.08467531789546 0.84550567624010 15.999 42 O 0.12729754071652 0.35597373113047 0.54627016837499 15.999 43 O 0.89277550649644 0.52617319785996 0.75430124237119 15.999 44 O 0.82757444001239 0.20580580138835 0.11800496509104 15.999 45 O 0.48550173277573 0.60033903691570 0.36684933071045 15.999 46 O 0.85183547542335 0.32020310828006 0.89364654691582 15.999 47 O 0.85183547542335 0.17979689171993 0.39364654691582 15.999 48 O 0.39985673854301 0.39419176782393 0.85877295454351 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.487380601579957 0.000000000000000 0.000000000000000 b 0.000000000000000 10.636089180000001 0.000000000000000 c -4.984104109211772 0.000000000000000 8.503199429742109 Atomic positions (fractional): 1 Na 0.35652968695308 0.69750350355672 0.62039788745536 22.990 > 1 2 Na 0.85652968695308 0.69750350355672 0.62039788745536 22.990 > 1 3 Na 0.37505846766574 0.06192911604082 0.57186519175545 22.990 > 3 4 Na 0.87505846766574 0.06192911604082 0.57186519175545 22.990 > 3 5 Na 0.37505846766574 0.43807088395918 0.07186519175545 22.990 > 5 6 Na 0.87505846766574 0.43807088395918 0.07186519175545 22.990 > 5 7 Na 0.12494153233426 0.56192911604082 0.92813480824455 22.990 > 7 8 Na 0.62494153233426 0.56192911604082 0.92813480824455 22.990 > 7 9 Na 0.35652968695308 0.80249649644328 0.12039788745536 22.990 > 9 10 Na 0.85652968695308 0.80249649644328 0.12039788745536 22.990 > 9 11 Na 0.12494153233426 0.93807088395918 0.42813480824455 22.990 > 11 12 Na 0.62494153233426 0.93807088395918 0.42813480824455 22.990 > 11 13 Na 0.14347031304692 0.30249649644328 0.37960211254464 22.990 > 13 14 Na 0.64347031304692 0.30249649644328 0.37960211254464 22.990 > 13 15 Na 0.14347031304692 0.19750350355672 0.87960211254464 22.990 > 15 16 Na 0.64347031304692 0.19750350355672 0.87960211254464 22.990 > 15 17 Si 0.43971787431918 0.18426273112349 0.97600526165582 28.085 > 17 18 Si 0.93971787431918 0.18426273112349 0.97600526165582 28.085 > 17 19 Si 0.33187054436465 0.56785119155925 0.31472723585238 28.085 > 19 20 Si 0.83187054436465 0.56785119155925 0.31472723585238 28.085 > 19 21 Si 0.06028212568082 0.81573726887651 0.02399473834418 28.085 > 21 22 Si 0.56028212568082 0.81573726887651 0.02399473834418 28.085 > 21 23 Si 0.11038584380291 0.60490863959549 0.27308707484053 28.085 > 23 24 Si 0.61038584380291 0.60490863959549 0.27308707484053 28.085 > 23 25 Si 0.38961415619709 0.10490863959549 0.22691292515947 28.085 > 25 26 Si 0.88961415619709 0.10490863959549 0.22691292515947 28.085 > 25 27 Si 0.11038584380291 0.89509136040451 0.77308707484053 28.085 > 27 28 Si 0.61038584380291 0.89509136040451 0.77308707484053 28.085 > 27 29 Si 0.43971787431918 0.31573726887651 0.47600526165582 28.085 > 29 30 Si 0.93971787431918 0.31573726887651 0.47600526165582 28.085 > 29 31 Si 0.33187054436465 0.93214880844075 0.81472723585238 28.085 > 31 32 Si 0.83187054436465 0.93214880844075 0.81472723585238 28.085 > 31 33 Si 0.06028212568082 0.68426273112349 0.52399473834418 28.085 > 33 34 Si 0.56028212568082 0.68426273112349 0.52399473834418 28.085 > 33 35 Si 0.38961415619709 0.39509136040451 0.72691292515947 28.085 > 35 36 Si 0.88961415619709 0.39509136040451 0.72691292515947 28.085 > 35 37 Si 0.16812945563535 0.43214880844075 0.68527276414762 28.085 > 37 38 Si 0.66812945563535 0.43214880844075 0.68527276414762 28.085 > 37 39 Si 0.16812945563535 0.06785119155925 0.18527276414762 28.085 > 39 40 Si 0.66812945563535 0.06785119155925 0.18527276414762 28.085 > 39 41 O 0.06364877035826 0.14402626886953 0.04627016837499 15.999 > 41 42 O 0.56364877035826 0.14402626886953 0.04627016837499 15.999 > 41 43 O 0.41378722000619 0.29419419861165 0.61800496509104 15.999 > 43 44 O 0.91378722000619 0.29419419861165 0.61800496509104 15.999 > 43 45 O 0.30007163072849 0.89419176782393 0.64122704545649 15.999 > 45 46 O 0.80007163072849 0.89419176782393 0.64122704545649 15.999 > 45 47 O 0.30007163072849 0.60580823217607 0.14122704545649 15.999 > 47 48 O 0.80007163072849 0.60580823217607 0.14122704545649 15.999 > 47 49 O 0.08621277999381 0.79419419861165 0.88199503490896 15.999 > 49 50 O 0.58621277999381 0.79419419861165 0.88199503490896 15.999 > 49 51 O 0.05361224675178 0.02617319785996 0.74569875762881 15.999 > 51 52 O 0.55361224675178 0.02617319785996 0.74569875762881 15.999 > 51 53 O 0.08621277999381 0.70580580138835 0.38199503490896 15.999 > 53 54 O 0.58621277999381 0.70580580138835 0.38199503490896 15.999 > 53 55 O 0.25724913361214 0.39966096308430 0.63315066928955 15.999 > 55 56 O 0.75724913361214 0.39966096308430 0.63315066928955 15.999 > 55 57 O 0.43635122964174 0.85597373113047 0.95372983162501 15.999 > 57 58 O 0.93635122964174 0.85597373113047 0.95372983162501 15.999 > 57 59 O 0.14231902156043 0.91532468210454 0.15449432375990 15.999 > 59 60 O 0.64231902156043 0.91532468210454 0.15449432375990 15.999 > 59 61 O 0.14231902156043 0.58467531789546 0.65449432375990 15.999 > 61 62 O 0.64231902156043 0.58467531789546 0.65449432375990 15.999 > 61 63 O 0.24275086638786 0.89966096308430 0.86684933071045 15.999 > 63 64 O 0.74275086638786 0.89966096308430 0.86684933071045 15.999 > 63 65 O 0.19992836927151 0.10580823217607 0.35877295454351 15.999 > 65 66 O 0.69992836927151 0.10580823217607 0.35877295454351 15.999 > 65 67 O 0.25724913361214 0.10033903691570 0.13315066928955 15.999 > 67 68 O 0.75724913361214 0.10033903691570 0.13315066928955 15.999 > 67 69 O 0.44638775324822 0.97382680214004 0.25430124237119 15.999 > 69 70 O 0.94638775324822 0.97382680214004 0.25430124237119 15.999 > 69 71 O 0.07408226228833 0.82020310828007 0.60635345308418 15.999 > 71 72 O 0.57408226228833 0.82020310828007 0.60635345308418 15.999 > 71 73 O 0.43635122964174 0.64402626886953 0.45372983162501 15.999 > 73 74 O 0.93635122964174 0.64402626886953 0.45372983162501 15.999 > 73 75 O 0.35768097843957 0.41532468210454 0.34550567624010 15.999 > 75 76 O 0.85768097843957 0.41532468210454 0.34550567624010 15.999 > 75 77 O 0.07408226228833 0.67979689171993 0.10635345308418 15.999 > 77 78 O 0.57408226228833 0.67979689171993 0.10635345308418 15.999 > 77 79 O 0.05361224675178 0.47382680214004 0.24569875762881 15.999 > 79 80 O 0.55361224675178 0.47382680214004 0.24569875762881 15.999 > 79 81 O 0.35768097843957 0.08467531789546 0.84550567624010 15.999 > 81 82 O 0.85768097843957 0.08467531789546 0.84550567624010 15.999 > 81 83 O 0.06364877035826 0.35597373113047 0.54627016837499 15.999 > 83 84 O 0.56364877035826 0.35597373113047 0.54627016837499 15.999 > 83 85 O 0.44638775324822 0.52617319785996 0.75430124237119 15.999 > 85 86 O 0.94638775324822 0.52617319785996 0.75430124237119 15.999 > 85 87 O 0.41378722000619 0.20580580138835 0.11800496509104 15.999 > 87 88 O 0.91378722000619 0.20580580138835 0.11800496509104 15.999 > 87 89 O 0.24275086638786 0.60033903691570 0.36684933071045 15.999 > 89 90 O 0.74275086638786 0.60033903691570 0.36684933071045 15.999 > 89 91 O 0.42591773771167 0.32020310828006 0.89364654691582 15.999 > 91 92 O 0.92591773771167 0.32020310828006 0.89364654691582 15.999 > 91 93 O 0.42591773771167 0.17979689171993 0.39364654691582 15.999 > 93 94 O 0.92591773771167 0.17979689171993 0.39364654691582 15.999 > 93 95 O 0.19992836927151 0.39419176782393 0.85877295454351 15.999 > 95 96 O 0.69992836927151 0.39419176782393 0.85877295454351 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4256397 0.0000000 -0.0165101 0.0000000 2.3549146 0.0000000 -0.0165103 0.0000000 2.3747192 -------------------------- Born effective charges -------------------------- 1 Na 1.0663483 -0.0298446 0.0112474 -0.0533491 1.1275772 0.0860352 0.0135223 0.1660799 1.0371884 2 Na 1.0297920 0.0611755 0.0100449 0.0443119 1.0367406 -0.1327522 -0.0022003 -0.1453047 1.1855791 3 Na 1.0297920 -0.0611755 0.0100449 -0.0443119 1.0367406 0.1327522 -0.0022003 0.1453047 1.1855791 4 Na 1.0297920 -0.0611755 0.0100449 -0.0443119 1.0367406 0.1327522 -0.0022003 0.1453047 1.1855791 5 Na 1.0663483 0.0298446 0.0112474 0.0533491 1.1275772 -0.0860352 0.0135223 -0.1660799 1.0371884 6 Na 1.0297920 0.0611755 0.0100449 0.0443119 1.0367406 -0.1327522 -0.0022003 -0.1453047 1.1855791 7 Na 1.0663483 -0.0298446 0.0112474 -0.0533491 1.1275772 0.0860352 0.0135223 0.1660799 1.0371884 8 Na 1.0663483 0.0298446 0.0112474 0.0533491 1.1275772 -0.0860352 0.0135223 -0.1660799 1.0371884 9 Si 3.1353702 -0.0754055 -0.1193940 -0.0082913 3.3592506 -0.0633057 0.0115184 -0.4771038 3.2216892 10 Si 3.2816667 -0.1015887 0.1808327 -0.1233364 2.7738090 -0.1631879 0.2379050 -0.2891095 2.8080566 11 Si 3.1353702 -0.0754055 -0.1193940 -0.0082913 3.3592506 -0.0633057 0.0115184 -0.4771038 3.2216892 12 Si 3.2342979 -0.0558840 -0.0682135 0.0811166 2.7465982 -0.5755290 -0.2606046 -0.0580368 2.9282963 13 Si 3.2342979 0.0558840 -0.0682135 -0.0811166 2.7465982 0.5755290 -0.2606046 0.0580368 2.9282963 14 Si 3.2342979 0.0558840 -0.0682135 -0.0811166 2.7465982 0.5755290 -0.2606046 0.0580368 2.9282963 15 Si 3.1353702 0.0754055 -0.1193940 0.0082913 3.3592506 0.0633057 0.0115184 0.4771038 3.2216892 16 Si 3.2816667 0.1015887 0.1808327 0.1233364 2.7738090 0.1631879 0.2379050 0.2891095 2.8080566 17 Si 3.1353702 0.0754055 -0.1193940 0.0082913 3.3592506 0.0633057 0.0115184 0.4771038 3.2216892 18 Si 3.2342979 -0.0558840 -0.0682135 0.0811166 2.7465982 -0.5755290 -0.2606046 -0.0580368 2.9282963 19 Si 3.2816667 -0.1015887 0.1808327 -0.1233364 2.7738090 -0.1631879 0.2379050 -0.2891095 2.8080566 20 Si 3.2816667 0.1015887 0.1808327 0.1233364 2.7738090 0.1631879 0.2379050 0.2891095 2.8080566 21 O -2.0873738 0.4886243 -0.6796004 0.4502110 -1.3106806 0.3701473 -0.6390700 0.4130018 -1.6867787 22 O -1.7515770 0.3014543 0.7923596 0.1378150 -1.4392044 -0.1448365 0.7064402 -0.3609764 -1.8474325 23 O -1.3824299 -0.0001433 0.0411083 -0.0128134 -1.2480436 -0.1892569 0.0557201 -0.1527346 -1.7282833 24 O -1.3824299 0.0001433 0.0411083 0.0128134 -1.2480436 0.1892569 0.0557201 0.1527346 -1.7282833 25 O -1.7515770 -0.3014543 0.7923596 -0.1378150 -1.4392044 0.1448365 0.7064402 0.3609764 -1.8474325 26 O -1.4320578 0.2059414 -0.0415449 0.2122057 -1.6290294 0.0429048 -0.0049511 0.1055309 -1.2519897 27 O -1.7515770 0.3014543 0.7923596 0.1378150 -1.4392044 -0.1448365 0.7064402 -0.3609764 -1.8474325 28 O -2.7653881 0.1812643 -0.1514061 0.3103411 -1.0036895 0.1205229 -0.2453735 0.0309830 -1.2482736 29 O -2.0873738 0.4886243 -0.6796004 0.4502110 -1.3106806 0.3701473 -0.6390700 0.4130018 -1.6867787 30 O -1.1983515 -0.3466146 -0.1738090 -0.3120104 -2.3565697 -0.6379646 -0.1523568 -0.5187623 -1.4520891 31 O -1.1983515 0.3466146 -0.1738090 0.3120104 -2.3565697 0.6379646 -0.1523568 0.5187623 -1.4520891 32 O -2.7653881 -0.1812643 -0.1514061 -0.3103411 -1.0036895 -0.1205229 -0.2453735 -0.0309830 -1.2482736 33 O -1.3824299 -0.0001433 0.0411083 -0.0128134 -1.2480436 -0.1892569 0.0557201 -0.1527346 -1.7282833 34 O -2.7653881 -0.1812643 -0.1514061 -0.3103411 -1.0036895 -0.1205229 -0.2453735 -0.0309830 -1.2482736 35 O -1.4320578 0.2059414 -0.0415449 0.2122057 -1.6290294 0.0429048 -0.0049511 0.1055309 -1.2519897 36 O -1.1302969 0.1488101 0.1983750 0.1997493 -2.0567585 -0.9066346 0.2794503 -0.9743325 -1.9659627 37 O -2.0873738 -0.4886243 -0.6796004 -0.4502110 -1.3106806 -0.3701473 -0.6390700 -0.4130018 -1.6867787 38 O -1.1983515 0.3466146 -0.1738090 0.3120104 -2.3565697 0.6379646 -0.1523568 0.5187623 -1.4520891 39 O -1.1302969 -0.1488101 0.1983750 -0.1997493 -2.0567585 0.9066346 0.2794503 0.9743325 -1.9659627 40 O -1.4320578 -0.2059414 -0.0415449 -0.2122057 -1.6290294 -0.0429048 -0.0049511 -0.1055309 -1.2519897 41 O -1.1983515 -0.3466146 -0.1738090 -0.3120104 -2.3565697 -0.6379646 -0.1523568 -0.5187623 -1.4520891 42 O -2.0873738 -0.4886243 -0.6796004 -0.4502110 -1.3106806 -0.3701473 -0.6390700 -0.4130018 -1.6867787 43 O -1.4320578 -0.2059414 -0.0415449 -0.2122057 -1.6290294 -0.0429048 -0.0049511 -0.1055309 -1.2519897 44 O -1.7515770 -0.3014543 0.7923596 -0.1378150 -1.4392044 0.1448365 0.7064402 0.3609764 -1.8474325 45 O -2.7653881 0.1812643 -0.1514061 0.3103411 -1.0036895 0.1205229 -0.2453735 0.0309830 -1.2482736 46 O -1.1302969 -0.1488101 0.1983750 -0.1997493 -2.0567585 0.9066346 0.2794503 0.9743325 -1.9659627 47 O -1.1302969 0.1488101 0.1983750 0.1997493 -2.0567585 -0.9066346 0.2794503 -0.9743325 -1.9659627 48 O -1.3824299 0.0001433 0.0411083 0.0128134 -1.2480436 0.1892569 0.0557201 0.1527346 -1.7282833 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 295, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.279 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.731 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 11.101 ( 0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 11.753 ( 0.000 0.000 0.000) 0.000 11.819 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 11.921 ( 0.000 0.000 0.000) 0.000 12.100 ( 0.000 0.000 0.000) 0.000 12.165 ( 0.000 0.000 0.000) 0.000 12.425 ( 0.000 0.000 0.000) 0.000 12.427 ( 0.000 0.000 0.000) 0.000 12.483 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.718 ( 0.000 0.000 0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.071 ( 0.000 0.000 0.000) 0.000 14.151 ( 0.000 0.000 0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 16.425 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 17.743 ( 0.000 0.000 0.000) 0.000 17.879 ( 0.000 0.000 0.000) 0.000 18.460 ( 0.000 0.000 0.000) 0.000 18.730 ( 0.000 0.000 0.000) 0.000 19.406 ( 0.000 0.000 0.000) 0.000 20.192 ( 0.000 0.000 0.000) 0.000 20.449 ( 0.000 0.000 0.000) 0.000 21.020 ( 0.000 0.000 0.000) 0.000 21.495 ( 0.000 0.000 0.000) 0.000 21.697 ( 0.000 0.000 0.000) 0.000 21.760 ( 0.000 0.000 0.000) 0.000 21.904 ( 0.000 0.000 0.000) 0.000 22.324 ( 0.000 0.000 0.000) 0.000 22.521 ( 0.000 0.000 0.000) 0.000 22.539 ( 0.000 0.000 0.000) 0.000 22.818 ( 0.000 0.000 0.000) 0.000 23.011 ( 0.000 0.000 0.000) 0.000 28.339 ( 0.000 0.000 0.000) 0.000 28.359 ( 0.000 0.000 0.000) 0.000 28.515 ( 0.000 0.000 0.000) 0.000 28.538 ( 0.000 0.000 0.000) 0.000 29.295 ( 0.000 0.000 0.000) 0.000 29.325 ( 0.000 0.000 0.000) 0.000 30.113 ( 0.000 0.000 0.000) 0.000 30.621 ( 0.000 0.000 0.000) 0.000 30.644 ( 0.000 0.000 0.000) 0.000 30.923 ( 0.000 0.000 0.000) 0.000 31.027 ( 0.000 0.000 0.000) 0.000 31.062 ( 0.000 0.000 0.000) 0.000 31.174 ( 0.000 0.000 0.000) 0.000 31.353 ( 0.000 0.000 0.000) 0.000 31.420 ( 0.000 0.000 0.000) 0.000 31.681 ( 0.000 0.000 0.000) 0.000 31.768 ( 0.000 0.000 0.000) 0.000 31.982 ( 0.000 0.000 0.000) 0.000 32.307 ( 0.000 0.000 0.000) 0.000 32.371 ( 0.000 0.000 0.000) 0.000 32.809 ( 0.000 0.000 0.000) 0.000 32.923 ( 0.000 0.000 0.000) 0.000 33.179 ( 0.000 0.000 0.000) 0.000 33.210 ( 0.000 0.000 0.000) 0.000 33.311 ( 0.000 0.000 0.000) 0.000 33.732 ( 0.000 0.000 0.000) 0.000 33.762 ( 0.000 0.000 0.000) 0.000 34.148 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 23.823 0.000 8.261) 25.214 0.640 ( 28.611 0.000 13.048) 31.446 1.283 ( 51.975 0.000 21.711) 56.328 1.702 ( 5.857 0.000 5.924) 8.331 2.192 ( 2.291 0.000 -0.922) 2.469 2.373 ( -8.940 0.000 -3.222) 9.503 2.411 ( 2.588 0.000 -0.030) 2.588 2.532 ( -16.581 0.000 -1.735) 16.671 2.590 ( 0.035 0.000 0.608) 0.609 2.634 ( 2.080 0.000 1.700) 2.687 2.692 ( 5.493 0.000 2.448) 6.013 2.845 ( 10.644 0.000 -3.076) 11.080 2.890 ( 1.286 0.000 -5.217) 5.373 2.979 ( 1.656 0.000 2.826) 3.275 3.056 ( -6.090 0.000 10.839) 12.433 3.083 ( 2.298 0.000 -5.311) 5.787 3.194 ( 5.960 0.000 -8.047) 10.013 3.353 ( 11.961 0.000 -10.560) 15.956 3.397 ( 4.500 0.000 0.458) 4.523 3.466 ( -6.734 0.000 -5.719) 8.835 3.596 ( 3.528 0.000 0.606) 3.580 3.697 ( 4.436 0.000 -5.343) 6.944 3.898 ( 9.589 0.000 -4.421) 10.560 3.916 ( 8.478 0.000 2.697) 8.896 4.177 ( 10.182 0.000 -3.272) 10.695 4.261 ( -17.006 0.000 -10.943) 20.222 4.479 ( -4.194 0.000 5.845) 7.194 4.626 ( 11.633 0.000 8.304) 14.293 4.634 ( -3.936 0.000 -5.606) 6.849 4.819 ( -0.603 0.000 1.072) 1.230 4.884 ( -7.457 0.000 -6.508) 9.897 4.973 ( -0.523 0.000 12.438) 12.449 5.005 ( -11.013 0.000 -8.126) 13.687 5.090 ( -6.676 0.000 5.172) 8.445 5.367 ( 0.692 0.000 -1.138) 1.332 5.577 ( -5.183 0.000 -7.397) 9.033 5.658 ( 0.763 0.000 2.955) 3.052 5.821 ( 12.658 0.000 7.912) 14.928 5.841 ( 6.911 0.000 -0.189) 6.914 5.947 ( 3.093 0.000 -5.343) 6.174 6.158 ( -5.279 0.000 -1.928) 5.620 6.190 ( 9.463 0.000 10.532) 14.159 6.374 ( -6.079 0.000 1.453) 6.250 6.432 ( 2.174 0.000 -7.097) 7.422 6.445 ( -1.699 0.000 -5.352) 5.615 6.531 ( -5.275 0.000 -1.358) 5.447 6.783 ( 5.098 0.000 -2.057) 5.497 6.873 ( -0.171 0.000 2.867) 2.873 6.941 ( 1.820 0.000 1.038) 2.095 7.033 ( 1.963 0.000 5.912) 6.230 7.276 ( 6.295 0.000 4.722) 7.870 7.298 ( 12.484 0.000 5.014) 13.454 7.669 ( -6.438 0.000 -12.904) 14.420 7.826 ( -2.050 0.000 6.831) 7.132 7.981 ( -6.127 0.000 6.032) 8.598 8.114 ( -9.178 0.000 -11.996) 15.105 8.495 ( 4.061 0.000 -0.161) 4.064 8.531 ( -5.724 0.000 -0.334) 5.733 8.615 ( -2.157 0.000 -6.752) 7.088 8.759 ( 2.137 0.000 2.256) 3.108 8.818 ( -0.463 0.000 3.665) 3.694 9.016 ( -5.016 0.000 -4.671) 6.854 9.224 ( -4.576 0.000 3.997) 6.076 9.428 ( -5.534 0.000 4.684) 7.250 9.543 ( 0.655 0.000 3.011) 3.081 9.759 ( 0.745 0.000 2.025) 2.158 9.872 ( 3.126 0.000 2.752) 4.165 10.031 ( 0.082 0.000 3.585) 3.586 10.155 ( 8.188 0.000 -2.769) 8.644 10.521 ( -8.721 0.000 -7.883) 11.756 10.630 ( -9.511 0.000 7.747) 12.267 10.762 ( -2.197 0.000 -8.959) 9.225 10.975 ( 5.495 0.000 4.930) 7.382 11.143 ( 7.856 0.000 -4.272) 8.942 11.209 ( -2.955 0.000 0.322) 2.972 11.537 ( -4.295 0.000 -3.949) 5.835 11.612 ( -9.291 0.000 2.954) 9.750 11.711 ( -6.500 0.000 -1.585) 6.690 12.048 ( 4.928 0.000 -2.331) 5.452 12.118 ( 0.069 0.000 -4.571) 4.571 12.129 ( 1.183 0.000 2.777) 3.018 12.215 ( -1.300 0.000 -2.226) 2.578 12.253 ( -1.783 0.000 6.812) 7.041 12.358 ( -4.278 0.000 -6.215) 7.545 12.408 ( 5.297 0.000 5.037) 7.309 12.754 ( -0.202 0.000 -0.065) 0.212 12.903 ( 13.256 0.000 -4.757) 14.084 13.079 ( 1.304 0.000 -0.019) 1.304 13.086 ( -1.591 0.000 -0.595) 1.699 13.556 ( 15.976 0.000 -3.130) 16.280 13.886 ( -0.940 0.000 7.775) 7.831 14.060 ( 0.424 0.000 -4.533) 4.553 14.254 ( 8.246 0.000 0.596) 8.267 14.503 ( 3.445 0.000 -2.221) 4.099 14.597 ( 15.535 0.000 -13.312) 20.459 15.035 ( 2.630 0.000 -2.657) 3.738 15.660 ( -1.289 0.000 3.502) 3.732 16.106 ( -18.371 0.000 -14.707) 23.533 17.161 ( 5.303 0.000 25.327) 25.876 17.718 ( -15.279 0.000 -5.816) 16.348 17.783 ( 3.347 0.000 1.894) 3.845 18.420 ( -1.432 0.000 -7.034) 7.178 18.670 ( -5.622 0.000 -1.624) 5.852 19.433 ( 3.844 0.000 -2.027) 4.346 20.064 ( -16.125 0.000 -3.129) 16.426 20.497 ( 9.707 0.000 3.514) 10.323 21.264 ( 19.689 0.000 2.381) 19.832 21.363 ( -8.990 0.000 -5.230) 10.401 21.771 ( -2.247 0.000 4.329) 4.877 21.806 ( 8.225 0.000 2.083) 8.485 21.906 ( -0.523 0.000 1.251) 1.356 22.319 ( -1.308 0.000 1.858) 2.273 22.380 ( -10.833 0.000 1.169) 10.896 22.781 ( 2.892 0.000 13.654) 13.957 22.817 ( -0.525 0.000 -0.030) 0.526 22.984 ( -1.336 0.000 -2.066) 2.460 28.366 ( 3.337 0.000 -0.612) 3.393 28.398 ( 4.862 0.000 -1.278) 5.027 28.590 ( 7.645 0.000 1.210) 7.740 28.873 ( 13.925 0.000 -26.419) 29.864 29.334 ( 0.233 0.000 1.188) 1.210 30.084 ( -3.449 0.000 0.397) 3.472 30.368 ( -1.776 0.000 -8.582) 8.764 30.616 ( -0.721 0.000 0.493) 0.873 30.700 ( 3.441 0.000 2.212) 4.090 30.868 ( -8.732 0.000 -7.206) 11.322 30.985 ( 6.123 0.000 -21.167) 22.035 31.123 ( 0.182 0.000 4.018) 4.023 31.223 ( 1.508 0.000 -0.179) 1.519 31.408 ( -0.133 0.000 -2.708) 2.711 31.671 ( -0.728 0.000 -0.310) 0.792 31.814 ( 6.605 0.000 -2.878) 7.205 31.999 ( 1.457 0.000 0.548) 1.557 32.230 ( -2.946 0.000 14.062) 14.367 32.297 ( -2.299 0.000 -4.260) 4.841 32.363 ( -2.523 0.000 8.726) 9.084 32.781 ( -1.712 0.000 -2.506) 3.035 32.947 ( 1.256 0.000 2.092) 2.440 33.181 ( 0.388 0.000 0.006) 0.388 33.228 ( 1.849 0.000 0.598) 1.944 33.709 ( -1.641 0.000 -0.384) 1.685 33.776 ( 0.818 0.000 0.051) 0.819 33.894 ( -15.926 0.000 20.731) 26.142 34.645 ( -1.683 0.000 3.508) 3.891 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 20.294 0.000 7.445) 21.617 1.210 ( 23.381 0.000 8.061) 24.731 1.779 ( 3.482 0.000 8.359) 9.056 2.182 ( -3.400 0.000 -0.377) 3.421 2.194 ( 20.608 0.000 8.484) 22.286 2.262 ( 2.142 0.000 0.355) 2.171 2.328 ( -9.585 0.000 5.960) 11.287 2.383 ( -1.970 0.000 -3.828) 4.305 2.654 ( 2.579 0.000 9.633) 9.972 2.721 ( 0.318 0.000 8.907) 8.912 2.808 ( -0.682 0.000 -5.397) 5.440 2.871 ( 11.683 0.000 -2.144) 11.878 3.015 ( -2.785 0.000 4.770) 5.524 3.056 ( 5.780 0.000 -2.132) 6.161 3.081 ( -0.129 0.000 5.233) 5.235 3.107 ( 8.514 0.000 -3.936) 9.380 3.175 ( -2.834 0.000 3.759) 4.708 3.308 ( -3.544 0.000 -5.566) 6.599 3.438 ( 3.893 0.000 -1.088) 4.043 3.526 ( 10.699 0.000 -4.071) 11.448 3.710 ( 10.312 0.000 -10.383) 14.634 3.733 ( 10.491 0.000 -13.246) 16.898 3.931 ( -3.509 0.000 -10.858) 11.411 4.022 ( 7.578 0.000 -0.693) 7.610 4.136 ( 19.626 0.000 4.415) 20.116 4.269 ( 8.663 0.000 -7.772) 11.639 4.409 ( -2.526 0.000 1.141) 2.772 4.627 ( -5.561 0.000 -0.881) 5.630 4.636 ( 0.464 0.000 2.125) 2.175 4.707 ( -6.998 0.000 -3.541) 7.843 4.871 ( 0.925 0.000 4.779) 4.868 4.946 ( 1.931 0.000 10.014) 10.198 5.055 ( -4.092 0.000 -3.713) 5.525 5.129 ( 0.835 0.000 6.775) 6.826 5.381 ( 1.718 0.000 -1.512) 2.288 5.399 ( -7.085 0.000 -6.994) 9.956 5.631 ( -6.499 0.000 -6.278) 9.036 5.734 ( 2.304 0.000 1.463) 2.729 5.852 ( -6.667 0.000 -7.927) 10.358 5.937 ( -3.039 0.000 0.631) 3.104 6.174 ( 6.233 0.000 -6.343) 8.893 6.289 ( 3.067 0.000 0.831) 3.178 6.398 ( -3.115 0.000 -7.236) 7.878 6.468 ( 3.895 0.000 5.935) 7.099 6.475 ( 8.779 0.000 7.363) 11.457 6.795 ( 23.549 0.000 12.326) 26.580 6.828 ( -1.279 0.000 -1.838) 2.239 6.977 ( 6.281 0.000 6.828) 9.278 7.008 ( 2.444 0.000 -4.225) 4.881 7.040 ( 2.642 0.000 -0.124) 2.645 7.295 ( -3.963 0.000 -2.955) 4.944 7.400 ( 4.103 0.000 -2.131) 4.623 7.642 ( 1.610 0.000 6.078) 6.287 7.768 ( -18.320 0.000 -4.182) 18.791 7.849 ( -13.558 0.000 3.410) 13.980 7.896 ( 2.409 0.000 -1.816) 3.017 8.394 ( -10.750 0.000 2.888) 11.132 8.486 ( -1.434 0.000 -4.864) 5.071 8.506 ( -1.274 0.000 -5.168) 5.323 8.780 ( -4.460 0.000 -4.802) 6.554 8.827 ( -1.279 0.000 -2.755) 3.037 8.868 ( -6.654 0.000 5.630) 8.717 9.201 ( -2.805 0.000 5.921) 6.552 9.354 ( -7.228 0.000 4.162) 8.341 9.534 ( -4.540 0.000 -0.074) 4.540 9.826 ( 0.951 0.000 6.613) 6.681 9.887 ( -2.899 0.000 -0.061) 2.900 10.082 ( 1.497 0.000 1.769) 2.317 10.307 ( 11.575 0.000 -2.481) 11.838 10.362 ( 0.280 0.000 -5.393) 5.401 10.568 ( -7.175 0.000 10.321) 12.570 10.637 ( 0.887 0.000 -12.512) 12.543 11.041 ( -3.759 0.000 4.144) 5.595 11.172 ( 1.402 0.000 -2.820) 3.149 11.216 ( 2.041 0.000 -7.140) 7.426 11.483 ( -0.218 0.000 0.400) 0.455 11.539 ( -3.308 0.000 3.352) 4.710 11.595 ( -3.470 0.000 3.870) 5.198 11.769 ( -18.332 0.000 -7.145) 19.675 12.067 ( -12.358 0.000 -4.680) 13.214 12.082 ( -0.382 0.000 1.029) 1.098 12.200 ( 4.940 0.000 -0.972) 5.035 12.256 ( 0.747 0.000 7.456) 7.493 12.510 ( 9.110 0.000 -3.281) 9.683 12.668 ( 8.900 0.000 6.309) 10.909 12.691 ( 0.497 0.000 0.777) 0.922 12.969 ( 10.366 0.000 -9.813) 14.274 13.107 ( 2.336 0.000 0.123) 2.339 13.254 ( 12.311 0.000 3.079) 12.690 13.815 ( 15.620 0.000 -1.084) 15.658 13.977 ( -3.706 0.000 -5.556) 6.678 14.023 ( 6.666 0.000 8.428) 10.746 14.381 ( 7.019 0.000 -2.252) 7.372 14.559 ( 6.442 0.000 -4.993) 8.150 14.738 ( 10.543 0.000 -7.115) 12.719 15.004 ( -3.117 0.000 -6.982) 7.647 15.653 ( -17.213 0.000 -8.442) 19.172 15.689 ( -0.956 0.000 6.575) 6.644 17.308 ( -21.664 0.000 -7.094) 22.796 17.496 ( 1.726 0.000 27.929) 27.982 17.880 ( 4.513 0.000 2.610) 5.213 18.365 ( 1.764 0.000 -3.980) 4.353 18.528 ( -6.799 0.000 -3.501) 7.648 19.475 ( 4.357 0.000 -4.689) 6.401 19.706 ( -19.166 0.000 -3.310) 19.449 20.761 ( 13.223 0.000 4.492) 13.965 21.127 ( -11.809 0.000 -4.432) 12.613 21.609 ( 17.401 0.000 -1.297) 17.449 21.781 ( -1.574 0.000 4.335) 4.612 21.917 ( -0.735 0.000 4.032) 4.099 21.968 ( 7.998 0.000 0.382) 8.007 22.210 ( -8.789 0.000 -0.853) 8.831 22.336 ( 0.669 0.000 3.400) 3.465 22.784 ( -2.181 0.000 -1.541) 2.670 22.951 ( -0.187 0.000 -1.299) 1.312 22.959 ( 4.381 0.000 8.204) 9.300 28.434 ( 5.102 0.000 -0.949) 5.189 28.480 ( 6.130 0.000 -2.326) 6.557 28.782 ( 11.470 0.000 2.605) 11.763 28.836 ( 3.057 0.000 -9.672) 10.143 29.354 ( 0.399 0.000 1.561) 1.611 30.015 ( -4.923 0.000 1.161) 5.058 30.236 ( -5.176 0.000 -4.397) 6.791 30.613 ( -3.891 0.000 -3.188) 5.030 30.616 ( -6.132 0.000 -5.734) 8.395 30.735 ( -0.935 0.000 -1.248) 1.559 30.968 ( 9.088 0.000 -6.460) 11.149 31.151 ( -2.971 0.000 6.597) 7.235 31.212 ( -1.456 0.000 -0.443) 1.521 31.355 ( -0.944 0.000 -5.433) 5.514 31.642 ( -2.779 0.000 -0.235) 2.789 31.900 ( 7.150 0.000 -7.317) 10.230 32.037 ( 2.481 0.000 0.130) 2.484 32.199 ( -3.642 0.000 0.196) 3.648 32.333 ( 0.319 0.000 9.466) 9.471 32.417 ( -2.527 0.000 8.125) 8.509 32.705 ( -3.040 0.000 -3.930) 4.969 32.995 ( 1.594 0.000 2.000) 2.558 33.204 ( 2.135 0.000 0.762) 2.267 33.288 ( 3.983 0.000 1.064) 4.122 33.675 ( -1.647 0.000 -0.758) 1.813 33.786 ( -0.010 0.000 0.594) 0.594 33.805 ( -9.277 0.000 5.115) 10.594 34.656 ( -0.385 0.000 1.986) 2.023 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 12.157 0.000 3.824) 12.744 1.575 ( 15.453 0.000 -1.300) 15.508 1.870 ( -5.150 0.000 9.399) 10.718 2.029 ( -10.462 0.000 -1.599) 10.583 2.277 ( 3.732 0.000 0.965) 3.855 2.335 ( -0.074 0.000 3.240) 3.241 2.398 ( 5.048 0.000 12.635) 13.606 2.537 ( 7.210 0.000 8.805) 11.381 2.673 ( -3.612 0.000 -5.524) 6.600 2.730 ( -4.563 0.000 3.416) 5.700 2.900 ( 7.391 0.000 7.420) 10.473 2.948 ( 5.254 0.000 -6.033) 8.000 3.041 ( -3.133 0.000 2.957) 4.308 3.074 ( -0.205 0.000 -3.103) 3.109 3.094 ( -6.167 0.000 7.406) 9.637 3.173 ( 4.075 0.000 -3.812) 5.580 3.175 ( -1.084 0.000 1.426) 1.791 3.293 ( -6.668 0.000 -17.877) 19.080 3.364 ( 7.562 0.000 2.517) 7.970 3.605 ( 3.895 0.000 1.277) 4.099 3.728 ( 3.435 0.000 -3.836) 5.149 3.862 ( 17.618 0.000 1.923) 17.723 3.971 ( 13.338 0.000 -5.347) 14.370 4.193 ( 2.847 0.000 1.113) 3.057 4.264 ( -1.778 0.000 -6.323) 6.569 4.452 ( 7.636 0.000 1.165) 7.725 4.455 ( 2.800 0.000 -0.439) 2.834 4.635 ( -7.625 0.000 -13.753) 15.725 4.637 ( 0.017 0.000 -3.816) 3.816 4.762 ( 10.870 0.000 0.848) 10.903 4.915 ( 5.103 0.000 5.645) 7.610 4.941 ( -0.633 0.000 3.276) 3.336 4.967 ( 0.107 0.000 12.082) 12.083 5.222 ( 0.741 0.000 -0.551) 0.923 5.243 ( 2.414 0.000 -5.387) 5.903 5.360 ( -1.067 0.000 3.074) 3.254 5.507 ( 3.904 0.000 -8.587) 9.433 5.683 ( -0.364 0.000 -0.187) 0.409 5.777 ( -10.804 0.000 -9.860) 14.627 5.971 ( 5.131 0.000 9.701) 10.975 6.054 ( -2.007 0.000 -10.440) 10.632 6.305 ( -2.162 0.000 1.621) 2.702 6.439 ( 10.590 0.000 1.548) 10.702 6.646 ( -13.638 0.000 -2.173) 13.811 6.658 ( 7.739 0.000 2.559) 8.151 6.770 ( 18.267 0.000 3.945) 18.688 6.999 ( -8.165 0.000 -5.645) 9.926 7.027 ( 2.760 0.000 0.004) 2.760 7.157 ( 3.437 0.000 5.832) 6.769 7.160 ( 6.525 0.000 -0.742) 6.567 7.336 ( -20.023 0.000 -8.370) 21.702 7.416 ( 14.932 0.000 12.860) 19.707 7.473 ( 3.391 0.000 1.733) 3.808 7.575 ( -15.419 0.000 8.697) 17.702 7.724 ( -2.308 0.000 -1.137) 2.573 7.882 ( -1.055 0.000 -5.512) 5.612 8.264 ( -8.337 0.000 5.348) 9.905 8.389 ( -3.482 0.000 -1.830) 3.933 8.424 ( -5.857 0.000 -2.637) 6.423 8.592 ( -8.068 0.000 -6.093) 10.110 8.744 ( 1.667 0.000 -9.044) 9.197 8.882 ( 0.399 0.000 6.728) 6.740 9.198 ( -6.030 0.000 1.441) 6.199 9.287 ( -5.118 0.000 3.968) 6.477 9.451 ( -2.603 0.000 2.496) 3.606 9.841 ( -1.040 0.000 -0.495) 1.152 9.872 ( -0.717 0.000 2.399) 2.504 10.107 ( 0.512 0.000 0.200) 0.549 10.390 ( -0.646 0.000 1.808) 1.920 10.441 ( 7.488 0.000 -4.475) 8.723 10.583 ( 11.222 0.000 -13.257) 17.369 10.584 ( -2.571 0.000 7.278) 7.719 10.996 ( -3.683 0.000 3.350) 4.979 11.072 ( -7.871 0.000 -2.843) 8.369 11.180 ( 2.938 0.000 -4.115) 5.056 11.410 ( -16.683 0.000 -2.433) 16.860 11.507 ( -0.010 0.000 3.111) 3.111 11.552 ( -0.186 0.000 3.976) 3.980 11.682 ( 6.385 0.000 1.524) 6.565 11.823 ( -8.986 0.000 -5.410) 10.488 12.030 ( -6.545 0.000 1.353) 6.683 12.225 ( 1.160 0.000 0.787) 1.402 12.438 ( -5.490 0.000 -1.742) 5.759 12.491 ( 13.402 0.000 4.564) 14.157 12.776 ( 1.105 0.000 1.479) 1.847 12.872 ( 11.286 0.000 0.435) 11.294 13.117 ( 10.997 0.000 -3.707) 11.605 13.128 ( -0.646 0.000 0.552) 0.850 13.506 ( 13.288 0.000 3.024) 13.627 13.851 ( -4.269 0.000 -4.116) 5.930 14.044 ( 11.229 0.000 -0.902) 11.266 14.247 ( 7.446 0.000 8.273) 11.130 14.458 ( 5.085 0.000 -1.285) 5.245 14.593 ( 2.264 0.000 -5.844) 6.267 14.748 ( -13.692 0.000 -7.605) 15.662 14.761 ( 0.790 0.000 -8.492) 8.529 15.424 ( -4.521 0.000 -1.736) 4.843 15.758 ( 0.894 0.000 5.920) 5.987 16.915 ( -15.051 0.000 -4.416) 15.686 17.761 ( -0.840 0.000 20.715) 20.732 17.966 ( 3.267 0.000 0.928) 3.396 18.391 ( 4.000 0.000 -1.681) 4.339 18.402 ( -3.132 0.000 -3.418) 4.636 19.382 ( -13.944 0.000 -2.093) 14.100 19.481 ( 2.442 0.000 -5.237) 5.778 20.903 ( -9.039 0.000 -2.262) 9.318 20.992 ( 8.627 0.000 2.270) 8.921 21.774 ( 0.844 0.000 3.135) 3.246 21.815 ( 4.535 0.000 -2.296) 5.083 21.983 ( 3.254 0.000 1.475) 3.573 22.069 ( 3.543 0.000 0.033) 3.543 22.073 ( -5.984 0.000 1.230) 6.110 22.400 ( 2.235 0.000 2.426) 3.299 22.736 ( -1.033 0.000 -1.312) 1.670 22.945 ( 0.200 0.000 -0.398) 0.446 23.085 ( 2.571 0.000 4.298) 5.008 28.508 ( 3.979 0.000 -0.688) 4.038 28.548 ( 4.086 0.000 -2.026) 4.561 28.791 ( -0.342 0.000 -3.355) 3.372 28.996 ( 8.733 0.000 2.632) 9.121 29.374 ( 0.290 0.000 0.953) 0.996 29.969 ( -1.992 0.000 3.240) 3.803 30.122 ( -3.688 0.000 -2.193) 4.291 30.348 ( -8.802 0.000 -9.657) 13.066 30.628 ( 0.423 0.000 0.854) 0.953 30.692 ( -0.830 0.000 -2.285) 2.431 31.094 ( 5.047 0.000 1.945) 5.409 31.161 ( -3.046 0.000 6.000) 6.729 31.200 ( 3.281 0.000 -2.703) 4.251 31.281 ( -0.904 0.000 -5.340) 5.416 31.566 ( -5.420 0.000 -0.020) 5.420 31.869 ( -0.975 0.000 -5.795) 5.877 32.078 ( 1.755 0.000 0.356) 1.790 32.236 ( 6.191 0.000 -0.165) 6.193 32.413 ( 0.323 0.000 4.745) 4.756 32.423 ( -5.240 0.000 6.120) 8.057 32.615 ( -2.718 0.000 -3.008) 4.054 33.035 ( 1.157 0.000 0.969) 1.509 33.269 ( 3.514 0.000 1.538) 3.835 33.371 ( 4.017 0.000 0.709) 4.079 33.636 ( -1.636 0.000 -1.073) 1.956 33.692 ( -6.259 0.000 0.182) 6.262 33.791 ( -0.383 0.000 1.203) 1.262 34.669 ( 0.114 0.000 0.934) 0.941 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.668 ( -0.000 0.000 -0.000) 0.000 2.702 ( -0.000 0.000 -0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.052 ( -0.000 0.000 -0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 -0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.249 ( -0.000 0.000 -0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.570 ( -0.000 0.000 -0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 -0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 -0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 -0.000) 0.000 5.513 ( -0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.029 ( -0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.592 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.039 ( -0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.195 ( -0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 -0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.834 ( 0.000 0.000 0.000) 0.000 8.224 ( -0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 -0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 8.727 ( 0.000 0.000 0.000) 0.000 9.008 ( -0.000 0.000 -0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.260 ( 0.000 0.000 0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.482 ( 0.000 0.000 0.000) 0.000 10.599 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.000 ( -0.000 0.000 0.000) 0.000 11.190 ( 0.000 0.000 0.000) 0.000 11.205 ( -0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 11.591 ( 0.000 0.000 0.000) 0.000 11.693 ( 0.000 0.000 0.000) 0.000 11.764 ( -0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 0.000) 0.000 12.247 ( 0.000 0.000 0.000) 0.000 12.378 ( 0.000 0.000 0.000) 0.000 12.668 ( 0.000 0.000 0.000) 0.000 12.774 ( -0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.198 ( 0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 13.763 ( -0.000 0.000 0.000) 0.000 14.147 ( 0.000 0.000 0.000) 0.000 14.351 ( -0.000 0.000 0.000) 0.000 14.473 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 -0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 15.386 ( 0.000 0.000 0.000) 0.000 15.803 ( 0.000 0.000 0.000) 0.000 16.754 ( 0.000 0.000 0.000) 0.000 17.853 ( 0.000 0.000 0.000) 0.000 18.011 ( 0.000 0.000 0.000) 0.000 18.356 ( 0.000 0.000 0.000) 0.000 18.429 ( 0.000 0.000 0.000) 0.000 19.238 ( 0.000 0.000 0.000) 0.000 19.472 ( 0.000 0.000 0.000) 0.000 20.807 ( -0.000 0.000 0.000) 0.000 21.081 ( 0.000 0.000 0.000) 0.000 21.788 ( 0.000 0.000 0.000) 0.000 21.857 ( 0.000 0.000 0.000) 0.000 21.965 ( 0.000 0.000 0.000) 0.000 22.074 ( 0.000 0.000 0.000) 0.000 22.099 ( 0.000 0.000 0.000) 0.000 22.433 ( 0.000 0.000 0.000) 0.000 22.724 ( 0.000 0.000 0.000) 0.000 22.945 ( 0.000 0.000 0.000) 0.000 23.129 ( 0.000 0.000 0.000) 0.000 28.542 ( 0.000 0.000 0.000) 0.000 28.574 ( 0.000 0.000 0.000) 0.000 28.768 ( 0.000 0.000 0.000) 0.000 29.091 ( 0.000 0.000 0.000) 0.000 29.381 ( 0.000 0.000 0.000) 0.000 29.998 ( -0.000 0.000 -0.000) 0.000 30.077 ( 0.000 0.000 0.000) 0.000 30.185 ( 0.000 0.000 0.000) 0.000 30.638 ( 0.000 0.000 0.000) 0.000 30.673 ( 0.000 0.000 0.000) 0.000 31.132 ( 0.000 0.000 0.000) 0.000 31.169 ( 0.000 0.000 0.000) 0.000 31.238 ( 0.000 0.000 -0.000) 0.000 31.254 ( 0.000 0.000 0.000) 0.000 31.499 ( 0.000 0.000 0.000) 0.000 31.824 ( 0.000 0.000 0.000) 0.000 32.097 ( 0.000 0.000 0.000) 0.000 32.324 ( -0.000 0.000 0.000) 0.000 32.380 ( 0.000 0.000 -0.000) 0.000 32.439 ( 0.000 0.000 0.000) 0.000 32.572 ( 0.000 0.000 0.000) 0.000 33.051 ( 0.000 0.000 0.000) 0.000 33.319 ( 0.000 0.000 0.000) 0.000 33.415 ( 0.000 0.000 0.000) 0.000 33.612 ( 0.000 0.000 0.000) 0.000 33.628 ( 0.000 0.000 0.000) 0.000 33.795 ( 0.000 0.000 0.000) 0.000 34.675 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/78) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 0.000 27.031 0.000) 27.031 0.788 ( 0.000 40.466 0.000) 40.466 0.952 ( 0.000 46.446 0.000) 46.446 1.759 ( 0.000 13.166 0.000) 13.166 2.081 ( 0.000 -20.241 0.000) 20.241 2.253 ( 0.000 -0.967 0.000) 0.967 2.445 ( 0.000 -13.588 0.000) 13.588 2.483 ( 0.000 -7.153 0.000) 7.153 2.548 ( 0.000 0.209 0.000) 0.209 2.576 ( 0.000 -0.646 0.000) 0.646 2.752 ( 0.000 1.515 0.000) 1.515 2.781 ( 0.000 -1.056 0.000) 1.056 2.875 ( 0.000 1.371 0.000) 1.371 2.886 ( 0.000 2.101 0.000) 2.101 3.068 ( 0.000 2.028 0.000) 2.028 3.153 ( 0.000 0.669 0.000) 0.669 3.195 ( 0.000 9.479 0.000) 9.479 3.259 ( 0.000 10.360 0.000) 10.360 3.375 ( 0.000 1.761 0.000) 1.761 3.561 ( 0.000 -4.437 0.000) 4.437 3.569 ( 0.000 1.855 0.000) 1.855 3.673 ( 0.000 4.663 0.000) 4.663 3.708 ( 0.000 -3.541 0.000) 3.541 3.932 ( 0.000 2.262 0.000) 2.262 4.213 ( 0.000 3.045 0.000) 3.045 4.214 ( 0.000 -10.961 0.000) 10.961 4.357 ( 0.000 -12.402 0.000) 12.402 4.585 ( 0.000 4.365 0.000) 4.365 4.765 ( 0.000 -0.292 0.000) 0.292 4.798 ( 0.000 -0.925 0.000) 0.925 4.898 ( 0.000 -12.964 0.000) 12.964 5.032 ( 0.000 6.944 0.000) 6.944 5.122 ( 0.000 -12.859 0.000) 12.859 5.268 ( 0.000 1.571 0.000) 1.571 5.367 ( 0.000 -3.313 0.000) 3.313 5.415 ( 0.000 -2.582 0.000) 2.582 5.462 ( 0.000 1.520 0.000) 1.520 5.705 ( 0.000 -15.783 0.000) 15.783 5.911 ( 0.000 15.795 0.000) 15.795 5.948 ( 0.000 16.716 0.000) 16.716 6.002 ( 0.000 2.397 0.000) 2.397 6.290 ( 0.000 -6.821 0.000) 6.821 6.337 ( 0.000 3.340 0.000) 3.340 6.566 ( 0.000 3.077 0.000) 3.077 6.600 ( 0.000 2.089 0.000) 2.089 6.716 ( 0.000 5.530 0.000) 5.530 6.781 ( 0.000 3.548 0.000) 3.548 6.887 ( 0.000 -1.033 0.000) 1.033 6.939 ( 0.000 -2.863 0.000) 2.863 6.984 ( 0.000 2.985 0.000) 2.985 7.128 ( 0.000 3.159 0.000) 3.159 7.324 ( 0.000 -5.344 0.000) 5.344 7.637 ( 0.000 -8.438 0.000) 8.438 7.765 ( 0.000 -13.857 0.000) 13.857 7.976 ( 0.000 3.058 0.000) 3.058 8.070 ( 0.000 -18.691 0.000) 18.691 8.185 ( 0.000 -1.222 0.000) 1.222 8.436 ( 0.000 -12.627 0.000) 12.627 8.689 ( 0.000 -3.776 0.000) 3.776 8.773 ( 0.000 -0.045 0.000) 0.045 8.856 ( 0.000 2.767 0.000) 2.767 9.055 ( 0.000 -0.137 0.000) 0.137 9.389 ( 0.000 13.502 0.000) 13.502 9.430 ( 0.000 -0.255 0.000) 0.255 9.653 ( 0.000 10.418 0.000) 10.418 9.764 ( 0.000 2.193 0.000) 2.193 9.991 ( 0.000 1.821 0.000) 1.821 10.036 ( 0.000 13.517 0.000) 13.517 10.079 ( 0.000 -0.664 0.000) 0.664 10.633 ( 0.000 -4.697 0.000) 4.697 10.649 ( 0.000 -6.259 0.000) 6.259 10.862 ( 0.000 2.100 0.000) 2.100 11.064 ( 0.000 11.826 0.000) 11.826 11.079 ( 0.000 -3.551 0.000) 3.551 11.206 ( 0.000 -0.831 0.000) 0.831 11.612 ( 0.000 -2.491 0.000) 2.491 11.755 ( 0.000 0.218 0.000) 0.218 11.820 ( 0.000 -3.822 0.000) 3.822 11.884 ( 0.000 5.977 0.000) 5.977 12.006 ( 0.000 4.730 0.000) 4.730 12.197 ( 0.000 -0.460 0.000) 0.460 12.202 ( 0.000 3.945 0.000) 3.945 12.409 ( 0.000 -2.778 0.000) 2.778 12.416 ( 0.000 -0.848 0.000) 0.848 12.484 ( 0.000 -1.141 0.000) 1.141 12.677 ( 0.000 -2.884 0.000) 2.884 12.690 ( 0.000 -0.774 0.000) 0.774 12.911 ( 0.000 -3.551 0.000) 3.551 13.092 ( 0.000 -0.177 0.000) 0.177 13.135 ( 0.000 -0.602 0.000) 0.602 13.528 ( 0.000 9.935 0.000) 9.935 13.935 ( 0.000 -0.078 0.000) 0.078 14.042 ( 0.000 -3.769 0.000) 3.769 14.096 ( 0.000 -5.627 0.000) 5.627 14.999 ( 0.000 1.471 0.000) 1.471 15.023 ( 0.000 0.332 0.000) 0.332 15.698 ( 0.000 4.752 0.000) 4.752 16.310 ( 0.000 -11.017 0.000) 11.017 17.106 ( 0.000 4.749 0.000) 4.749 17.611 ( 0.000 -9.934 0.000) 9.934 18.043 ( 0.000 13.437 0.000) 13.437 18.575 ( 0.000 11.029 0.000) 11.029 18.974 ( 0.000 -13.397 0.000) 13.397 19.343 ( 0.000 -9.242 0.000) 9.242 20.260 ( 0.000 5.637 0.000) 5.637 20.439 ( 0.000 -1.087 0.000) 1.087 21.058 ( 0.000 4.215 0.000) 4.215 21.452 ( 0.000 -4.420 0.000) 4.420 21.759 ( 0.000 5.477 0.000) 5.477 21.779 ( 0.000 1.788 0.000) 1.788 21.909 ( 0.000 0.768 0.000) 0.768 22.252 ( 0.000 -6.376 0.000) 6.376 22.556 ( 0.000 3.459 0.000) 3.459 22.581 ( 0.000 3.311 0.000) 3.311 22.841 ( 0.000 -1.198 0.000) 1.198 22.975 ( 0.000 -3.661 0.000) 3.661 28.340 ( 0.000 0.081 0.000) 0.081 28.356 ( 0.000 -0.267 0.000) 0.267 28.546 ( 0.000 0.773 0.000) 0.773 28.609 ( 0.000 -0.828 0.000) 0.828 29.298 ( 0.000 0.307 0.000) 0.307 29.322 ( 0.000 -0.305 0.000) 0.305 30.616 ( 0.000 -0.397 0.000) 0.397 30.637 ( 0.000 -0.645 0.000) 0.645 30.773 ( 0.000 3.980 0.000) 3.980 30.941 ( 0.000 1.602 0.000) 1.602 31.019 ( 0.000 -0.920 0.000) 0.920 31.046 ( 0.000 -1.588 0.000) 1.588 31.172 ( 0.000 -0.227 0.000) 0.227 31.287 ( 0.000 -5.413 0.000) 5.413 31.474 ( 0.000 4.669 0.000) 4.669 31.680 ( 0.000 -0.339 0.000) 0.339 31.986 ( 0.000 -0.018 0.000) 0.018 31.987 ( 0.000 0.273 0.000) 0.273 32.418 ( 0.000 4.816 0.000) 4.816 32.775 ( 0.000 -3.762 0.000) 3.762 32.899 ( 0.000 0.969 0.000) 0.969 33.155 ( 0.000 -4.810 0.000) 4.810 33.210 ( 0.000 2.860 0.000) 2.860 33.326 ( 0.000 0.665 0.000) 0.665 33.626 ( 0.000 0.238 0.000) 0.238 33.727 ( 0.000 -3.174 0.000) 3.174 34.213 ( 0.000 6.270 0.000) 6.270 34.630 ( 0.000 -4.445 0.000) 4.445 ======================= Grid point 10 (7/78) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 19.259 27.228 -3.087) 33.493 1.022 ( 17.513 27.902 12.864) 35.365 1.447 ( 40.082 20.421 20.891) 49.598 1.811 ( 3.829 11.258 3.970) 12.536 2.118 ( 5.021 -12.279 3.231) 13.654 2.291 ( -4.956 -2.781 -0.565) 5.711 2.363 ( 3.651 -4.528 -3.988) 7.053 2.431 ( -2.996 -7.200 -1.375) 7.919 2.593 ( -0.682 -4.170 2.900) 5.125 2.616 ( -0.301 -0.892 4.433) 4.532 2.782 ( 2.275 0.761 -1.663) 2.919 2.894 ( 6.008 6.597 -0.307) 8.928 2.900 ( 0.202 -4.033 1.623) 4.352 2.957 ( 3.538 4.374 -4.763) 7.371 3.033 ( 0.285 4.869 0.572) 4.911 3.140 ( 2.806 -1.063 -2.976) 4.226 3.214 ( 2.912 5.788 -4.939) 8.147 3.265 ( 9.251 -4.370 -5.666) 11.695 3.375 ( 1.835 -1.158 -0.065) 2.171 3.436 ( -5.194 -1.477 -5.288) 7.558 3.602 ( 0.415 -4.962 -2.358) 5.510 3.652 ( 1.926 -1.885 0.740) 2.794 3.842 ( 9.202 1.021 1.343) 9.355 3.960 ( 5.230 1.233 2.947) 6.128 4.141 ( -8.340 -7.988 -10.840) 15.839 4.269 ( 3.014 2.035 -3.110) 4.785 4.424 ( 2.071 -5.189 7.430) 9.296 4.560 ( -4.417 -7.558 -2.140) 9.012 4.609 ( -2.034 -2.168 -7.722) 8.275 4.780 ( -4.276 -4.295 -3.651) 7.075 4.856 ( 7.297 4.629 2.286) 8.939 4.965 ( -4.960 -1.226 -4.545) 6.838 5.075 ( -6.032 -2.471 5.268) 8.381 5.230 ( -4.548 13.934 5.961) 15.823 5.292 ( -0.771 -7.954 -1.762) 8.184 5.563 ( 8.392 -6.172 8.614) 13.518 5.669 ( -2.355 3.174 2.389) 4.618 5.747 ( 4.860 -6.091 -1.765) 7.990 5.896 ( -0.655 10.427 -1.530) 10.559 5.936 ( 5.216 1.506 3.041) 6.222 6.141 ( 2.629 7.547 0.472) 8.005 6.257 ( 1.593 -0.688 -1.749) 2.463 6.300 ( 0.157 -4.567 1.994) 4.986 6.524 ( -4.349 4.554 -4.991) 8.035 6.553 ( -1.746 8.639 -4.494) 9.893 6.632 ( -0.009 5.351 -0.919) 5.429 6.710 ( -1.374 -6.665 1.455) 6.959 6.887 ( 1.879 2.356 0.658) 3.084 6.961 ( 3.846 0.563 -1.290) 4.095 7.079 ( 1.080 2.597 0.687) 2.895 7.254 ( 1.906 -0.529 5.006) 5.383 7.359 ( 11.698 2.066 3.247) 12.315 7.545 ( -7.801 -9.244 -6.925) 13.938 7.736 ( -1.299 -7.672 -2.081) 8.054 7.870 ( 0.593 -14.451 -3.669) 14.921 8.045 ( -3.234 -5.676 -6.428) 9.165 8.221 ( -3.263 -10.644 2.425) 11.394 8.388 ( -5.791 -9.654 -1.928) 11.422 8.707 ( 1.540 -5.103 0.159) 5.332 8.758 ( -2.919 2.382 0.419) 3.791 8.869 ( -0.518 5.847 4.525) 7.412 9.052 ( -0.201 2.700 -2.224) 3.503 9.386 ( -6.954 -1.777 4.110) 8.271 9.415 ( -4.959 9.587 7.886) 13.367 9.656 ( -1.896 10.041 1.795) 10.375 9.737 ( -2.682 1.391 4.909) 5.765 10.034 ( 0.797 15.263 1.140) 15.326 10.058 ( 2.920 1.452 4.188) 5.308 10.144 ( 10.964 -0.510 -7.933) 13.543 10.463 ( -8.348 -3.684 -2.238) 9.396 10.636 ( -7.176 -1.491 -0.137) 7.331 10.785 ( -2.519 1.363 -4.537) 5.365 11.064 ( -0.568 6.796 3.496) 7.664 11.102 ( 4.844 -3.915 -5.061) 8.025 11.189 ( -0.678 -0.477 1.388) 1.617 11.524 ( -3.765 -1.406 -2.680) 4.831 11.623 ( -8.204 1.147 1.004) 8.345 11.775 ( -6.877 6.037 -0.761) 9.182 11.956 ( 1.472 -8.587 -2.354) 9.025 12.130 ( -2.987 4.145 -0.462) 5.130 12.152 ( -0.520 0.629 -1.030) 1.314 12.222 ( -1.768 0.310 -1.115) 2.113 12.294 ( 3.460 0.217 0.239) 3.475 12.395 ( 1.938 4.171 0.274) 4.607 12.454 ( -2.055 3.451 5.572) 6.869 12.713 ( 1.699 -3.620 0.333) 4.013 12.840 ( 14.440 -2.550 -2.537) 14.881 13.090 ( 0.339 0.590 -0.703) 0.978 13.113 ( 3.132 1.710 0.367) 3.588 13.550 ( 26.909 -8.497 -9.615) 29.812 13.743 ( 17.288 -15.678 15.076) 27.784 13.925 ( 0.943 0.661 1.186) 1.653 14.108 ( 11.225 -6.573 -4.158) 13.656 14.185 ( 7.706 -7.178 2.103) 10.740 14.826 ( -5.176 6.959 -11.176) 14.147 15.042 ( 1.821 -0.876 -3.821) 4.322 15.692 ( -1.809 3.484 2.681) 4.754 16.069 ( -15.242 -4.687 -12.277) 20.125 17.206 ( 0.104 2.348 18.845) 18.991 17.620 ( -7.353 -7.207 4.296) 11.156 17.958 ( -5.703 11.885 -1.252) 13.242 18.501 ( -4.835 7.086 -2.573) 8.956 18.738 ( -9.865 2.162 -8.184) 12.999 19.349 ( 3.416 -8.502 -1.848) 9.348 20.129 ( -15.151 5.866 -3.065) 16.533 20.448 ( 4.312 -4.437 2.807) 6.794 21.263 ( 15.175 1.536 1.306) 15.308 21.423 ( 1.029 3.278 -3.113) 4.636 21.765 ( -1.171 0.385 3.962) 4.149 21.830 ( 2.942 1.153 2.081) 3.784 21.908 ( -0.231 1.379 1.326) 1.927 22.229 ( -2.919 -5.986 0.316) 6.668 22.481 ( -5.322 6.927 0.871) 8.779 22.751 ( 6.428 -1.437 9.273) 11.375 22.812 ( -0.840 -0.566 -0.037) 1.013 22.956 ( -1.921 -3.625 -1.643) 4.419 28.369 ( 3.347 0.294 -0.614) 3.416 28.394 ( 4.909 -0.397 -1.188) 5.066 28.604 ( 7.764 1.513 0.555) 7.929 28.815 ( 15.910 -5.157 -17.815) 24.436 29.336 ( 0.383 0.328 2.217) 2.274 29.625 ( 13.715 -21.023 15.060) 29.273 30.555 ( -9.117 5.666 -2.995) 11.144 30.605 ( -1.242 -1.037 0.709) 1.766 30.716 ( 1.579 2.110 -0.628) 2.710 30.848 ( -6.900 -1.071 -8.906) 11.317 30.877 ( -1.743 -3.792 -8.317) 9.306 31.134 ( 1.467 0.761 2.682) 3.150 31.202 ( 0.255 -2.164 0.081) 2.181 31.310 ( 0.272 -6.785 1.439) 6.941 31.574 ( 3.398 -0.101 6.250) 7.114 31.766 ( 5.274 -0.831 5.358) 7.564 32.009 ( 1.457 0.678 3.148) 3.534 32.062 ( 8.485 -0.662 -2.513) 8.874 32.373 ( -5.309 4.517 1.718) 7.179 32.741 ( -2.312 -3.748 -2.521) 5.074 32.869 ( -6.831 8.428 -2.214) 11.072 33.023 ( -4.812 10.710 -9.262) 14.954 33.163 ( 0.998 -5.138 -0.196) 5.238 33.211 ( -1.297 1.800 -2.225) 3.142 33.686 ( -0.413 -0.437 4.521) 4.561 33.758 ( 1.979 -1.636 0.473) 2.611 34.076 ( -13.428 12.619 7.042) 19.727 34.593 ( -2.863 -5.127 2.319) 6.314 ======================= Grid point 11 (8/78) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 15.325 19.338 3.346) 24.900 1.414 ( 16.238 18.523 6.872) 25.574 1.879 ( 2.294 10.219 6.544) 12.350 2.147 ( 0.358 -4.307 -0.988) 4.433 2.199 ( 6.147 -1.170 3.614) 7.226 2.313 ( 8.763 5.239 4.764) 11.267 2.343 ( -6.633 1.762 5.388) 8.725 2.423 ( 5.294 1.599 0.630) 5.566 2.599 ( -0.167 -2.728 9.522) 9.907 2.653 ( -0.741 -7.008 2.626) 7.521 2.762 ( 1.988 -2.817 -2.923) 4.520 2.868 ( 4.063 1.488 -1.477) 4.572 2.950 ( -1.674 -4.334 -0.975) 4.747 3.067 ( 1.819 0.433 4.731) 5.087 3.078 ( 4.860 0.527 -3.535) 6.033 3.206 ( 1.715 3.410 -0.424) 3.840 3.233 ( 5.170 7.735 -1.671) 9.453 3.292 ( -2.094 -1.226 -1.896) 3.079 3.414 ( 8.785 -2.483 -4.047) 9.986 3.521 ( 13.482 -2.524 -1.952) 13.854 3.562 ( 3.014 -5.435 -6.051) 8.674 3.734 ( 8.914 -5.248 -6.896) 12.432 3.928 ( -0.338 0.373 -6.094) 6.115 4.045 ( 6.654 0.988 -0.101) 6.728 4.087 ( 15.244 -1.780 1.151) 15.391 4.284 ( 5.916 -3.805 -2.726) 7.543 4.348 ( -0.674 -6.057 -2.495) 6.585 4.532 ( 0.005 -4.066 -5.382) 6.745 4.578 ( -3.719 -7.044 1.575) 8.119 4.721 ( -2.181 -0.930 1.392) 2.750 4.834 ( -2.625 2.120 1.594) 3.732 5.034 ( 3.505 -2.122 7.543) 8.584 5.097 ( -2.372 2.049 3.108) 4.414 5.153 ( -8.327 7.783 -3.394) 11.893 5.312 ( 3.201 2.064 2.029) 4.315 5.562 ( -2.436 7.699 -7.188) 10.811 5.691 ( -3.108 1.584 -5.242) 6.297 5.743 ( 3.412 3.082 7.362) 8.680 5.874 ( -1.567 4.456 0.456) 4.745 5.973 ( -8.137 4.379 -6.213) 11.135 6.145 ( 10.646 -1.482 -0.961) 10.792 6.265 ( 2.779 -2.442 0.569) 3.743 6.408 ( 2.065 -1.215 2.973) 3.818 6.450 ( -6.009 4.726 -9.518) 12.208 6.570 ( 5.336 1.230 1.380) 5.647 6.625 ( 8.196 -9.364 3.647) 12.968 6.882 ( 8.817 0.680 2.744) 9.259 6.985 ( 5.555 1.721 3.688) 6.886 7.046 ( 8.115 0.151 -1.126) 8.194 7.085 ( -0.198 4.402 -3.078) 5.376 7.255 ( -3.015 -11.184 -1.888) 11.736 7.296 ( -1.334 1.132 2.610) 3.142 7.616 ( -4.799 -5.691 3.952) 8.428 7.681 ( 2.020 -4.977 -1.339) 5.536 7.815 ( -8.959 -0.729 -2.037) 9.217 7.910 ( -1.129 -8.286 -5.001) 9.744 8.143 ( -6.229 -11.876 1.146) 13.459 8.265 ( -3.774 -12.842 -0.432) 13.392 8.619 ( -9.209 1.484 -0.241) 9.331 8.710 ( -3.161 -2.162 -4.346) 5.793 8.897 ( -2.263 7.706 2.584) 8.437 9.007 ( -3.263 6.238 0.396) 7.050 9.291 ( -8.361 -4.979 4.660) 10.789 9.380 ( -7.340 6.739 6.653) 11.981 9.590 ( -5.030 8.989 1.046) 10.353 9.791 ( -0.724 1.518 5.580) 5.828 10.021 ( -2.539 10.163 1.556) 10.590 10.127 ( -1.125 3.858 2.833) 4.917 10.289 ( 12.743 -1.049 -6.810) 14.487 10.375 ( 4.619 -1.311 -4.017) 6.260 10.522 ( -3.141 -0.660 -2.726) 4.210 10.708 ( -2.575 4.232 -2.244) 5.438 11.052 ( -3.506 1.304 0.365) 3.759 11.120 ( 2.012 -4.086 -1.964) 4.960 11.222 ( 1.280 -0.442 -1.402) 1.949 11.490 ( -0.588 -0.318 1.790) 1.911 11.544 ( -2.087 0.422 2.337) 3.162 11.593 ( -12.134 1.378 -0.915) 12.246 11.809 ( -9.714 0.779 -2.098) 9.968 12.007 ( -10.262 -0.977 -1.967) 10.495 12.125 ( -0.402 1.133 -1.273) 1.751 12.167 ( -1.692 -1.388 1.290) 2.541 12.305 ( 2.953 3.025 -0.520) 4.259 12.563 ( 13.904 1.504 1.242) 14.040 12.612 ( -3.156 -1.683 1.446) 3.858 12.710 ( 6.012 1.853 3.674) 7.286 13.034 ( 13.501 6.185 -7.710) 16.732 13.120 ( 3.754 1.396 0.977) 4.123 13.264 ( 11.018 1.198 2.591) 11.381 13.804 ( 14.523 -3.319 -5.812) 15.991 13.894 ( 0.415 -6.060 -1.049) 6.164 14.049 ( 6.267 2.400 7.292) 9.910 14.297 ( 8.225 -5.952 -3.173) 10.637 14.435 ( 17.164 -19.240 0.449) 25.787 14.687 ( 1.168 4.177 -9.790) 10.708 14.983 ( -3.122 -2.787 -7.803) 8.854 15.688 ( -12.631 2.581 -5.803) 14.138 15.697 ( -3.808 0.917 3.055) 4.967 17.279 ( -15.304 -1.296 -0.007) 15.359 17.500 ( -5.443 -1.585 19.498) 20.306 17.942 ( 1.661 5.599 2.609) 6.397 18.400 ( -6.340 -2.501 2.103) 7.133 18.586 ( 0.500 11.396 -6.738) 13.248 19.378 ( 1.473 -8.554 -2.976) 9.176 19.804 ( -15.535 8.396 -4.644) 18.259 20.540 ( 1.947 -16.536 0.161) 16.651 21.323 ( -0.931 13.889 0.549) 13.931 21.626 ( 16.372 1.639 -1.720) 16.544 21.784 ( -0.906 0.222 3.431) 3.555 21.877 ( -1.874 -3.803 5.654) 7.067 21.964 ( 5.435 0.203 -0.348) 5.450 22.160 ( -4.371 -3.472 -1.411) 5.758 22.435 ( -0.916 7.735 2.238) 8.104 22.800 ( -1.196 1.614 -0.229) 2.022 22.903 ( -1.069 -5.094 -1.400) 5.390 22.938 ( 4.736 -1.941 7.169) 8.809 28.439 ( 5.289 0.476 -1.085) 5.420 28.478 ( 6.162 -0.315 -2.243) 6.565 28.775 ( 9.259 -0.115 0.224) 9.263 28.842 ( 5.071 0.026 -7.133) 8.752 29.376 ( 1.052 2.443 2.927) 3.955 29.834 ( 2.076 -13.194 2.989) 13.687 30.364 ( -9.096 7.526 -1.539) 11.905 30.602 ( -0.586 -1.394 0.863) 1.741 30.611 ( -7.761 0.157 -9.800) 12.502 30.751 ( -2.174 1.840 -2.360) 3.699 30.816 ( 6.437 -11.530 -2.688) 13.476 31.125 ( -4.499 -5.237 -0.625) 6.932 31.197 ( 0.028 0.725 3.029) 3.114 31.329 ( 0.681 -1.317 0.067) 1.484 31.646 ( 0.218 1.951 1.582) 2.521 31.878 ( 2.750 -1.620 0.837) 3.300 32.087 ( 5.559 4.009 -1.031) 6.931 32.160 ( 3.667 -0.007 -2.206) 4.280 32.338 ( -1.394 1.238 6.782) 7.033 32.653 ( -3.360 2.519 -4.127) 5.888 32.689 ( -8.366 9.353 0.894) 12.581 33.014 ( 1.756 2.142 1.079) 2.972 33.169 ( -1.067 -4.894 -1.316) 5.180 33.202 ( 3.318 -5.196 1.289) 6.298 33.699 ( -0.832 2.235 -0.306) 2.404 33.781 ( 0.312 -0.444 0.084) 0.549 33.946 ( -8.098 12.019 3.801) 14.983 34.585 ( -0.990 -7.123 2.085) 7.488 ======================= Grid point 12 (9/78) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 3.945 6.184 3.094) 7.961 1.695 ( 13.727 10.002 -3.964) 17.441 1.933 ( -6.683 4.635 6.145) 10.193 2.077 ( -6.841 4.498 0.943) 8.241 2.183 ( 3.208 -4.493 3.987) 6.810 2.352 ( -0.620 -0.266 7.896) 7.924 2.394 ( 0.696 2.373 0.493) 2.522 2.590 ( 0.140 -0.414 -1.906) 1.956 2.671 ( 8.491 -5.384 7.440) 12.508 2.711 ( 0.620 2.408 0.351) 2.512 2.801 ( -1.529 2.591 5.046) 5.874 2.865 ( -1.823 -12.486 -8.810) 15.390 2.972 ( 2.001 -3.673 4.229) 5.948 3.085 ( 0.631 -0.894 -3.580) 3.744 3.156 ( 4.628 -1.517 -2.322) 5.395 3.183 ( -0.595 5.000 4.290) 6.615 3.237 ( -2.288 3.334 -2.252) 4.629 3.319 ( 1.158 2.354 2.235) 3.446 3.405 ( 2.239 6.782 -3.896) 8.136 3.635 ( 3.776 2.050 -2.783) 5.120 3.752 ( 8.590 2.812 0.031) 9.038 3.791 ( 13.125 -4.533 1.503) 13.967 3.975 ( 11.582 0.457 -0.566) 11.605 4.165 ( -0.458 -3.461 0.690) 3.559 4.213 ( -1.530 -6.862 -4.013) 8.095 4.341 ( 4.854 -7.715 -1.294) 9.207 4.503 ( 0.666 -5.023 -3.271) 6.031 4.555 ( 9.045 -9.590 -2.324) 13.386 4.644 ( 4.432 4.203 -0.479) 6.127 4.744 ( -2.599 -2.041 -1.921) 3.822 4.811 ( 4.023 2.689 -2.637) 5.511 4.971 ( 6.987 4.827 0.109) 8.493 5.018 ( -6.986 0.604 9.875) 12.111 5.176 ( 2.097 -4.237 8.614) 9.826 5.417 ( 3.546 9.792 -2.925) 10.817 5.457 ( -2.808 9.910 -4.576) 11.271 5.531 ( 2.997 3.553 -9.419) 10.504 5.688 ( -8.926 1.581 -8.573) 12.477 5.815 ( -3.603 4.715 1.803) 6.202 6.059 ( 5.136 5.457 5.658) 9.390 6.116 ( 2.900 6.252 -4.846) 8.425 6.294 ( -4.368 -1.968 0.519) 4.819 6.441 ( 6.863 0.972 1.374) 7.066 6.542 ( 11.428 -10.163 3.375) 15.661 6.642 ( -4.264 -0.963 -2.829) 5.207 6.763 ( 7.915 -0.430 0.977) 7.986 6.905 ( 5.170 -10.079 -2.021) 11.507 7.018 ( -5.069 -1.056 -2.702) 5.840 7.105 ( 1.459 -5.799 0.211) 5.984 7.192 ( -2.200 -5.800 -5.161) 8.070 7.214 ( -1.029 3.244 3.439) 4.838 7.362 ( -5.083 -1.848 4.497) 7.034 7.462 ( -2.464 -1.503 1.749) 3.375 7.570 ( -8.379 -6.401 3.678) 11.167 7.753 ( -2.899 1.787 5.281) 6.283 7.903 ( 6.459 1.691 -5.120) 8.414 8.083 ( -1.975 -12.205 0.992) 12.403 8.221 ( -2.879 -13.738 -0.567) 14.048 8.468 ( -8.637 1.255 3.316) 9.337 8.577 ( -4.758 -0.179 -6.761) 8.270 8.811 ( -3.275 7.616 -4.815) 9.587 8.995 ( 0.003 6.660 4.221) 7.885 9.204 ( -6.908 -7.048 4.165) 10.712 9.278 ( -9.244 2.756 1.191) 9.719 9.563 ( -0.684 12.623 3.515) 13.121 9.801 ( -0.384 0.660 0.175) 0.784 9.995 ( -2.118 7.624 1.573) 8.068 10.121 ( -0.735 1.528 0.931) 1.934 10.382 ( 4.322 -2.448 -5.987) 7.779 10.468 ( 2.946 0.563 -4.179) 5.144 10.530 ( 8.711 -1.580 2.901) 9.317 10.643 ( 0.187 5.955 -4.647) 7.556 11.007 ( -1.044 2.661 0.052) 2.859 11.101 ( -2.244 -2.729 -2.325) 4.229 11.189 ( -2.074 1.924 0.758) 2.929 11.320 ( -14.079 -4.358 -2.853) 15.012 11.528 ( 0.189 -1.123 3.262) 3.455 11.587 ( 1.834 4.748 2.639) 5.733 11.714 ( -2.948 -0.174 1.460) 3.294 11.817 ( -6.203 3.020 -2.723) 7.417 12.066 ( -6.473 2.619 0.343) 6.991 12.115 ( -1.684 -8.681 -0.606) 8.863 12.486 ( 11.361 1.207 -0.563) 11.439 12.550 ( -0.648 5.132 2.262) 5.645 12.737 ( 4.579 -1.529 0.832) 4.899 12.885 ( 8.265 -0.015 2.993) 8.790 13.090 ( 1.071 2.651 -3.457) 4.486 13.253 ( 7.433 7.080 -0.215) 10.268 13.505 ( 13.169 0.385 2.428) 13.396 13.791 ( -2.301 -5.614 -4.053) 7.297 14.047 ( 11.716 0.152 -1.677) 11.836 14.250 ( 6.657 0.160 8.459) 10.766 14.344 ( -1.044 -7.177 -0.246) 7.257 14.592 ( 3.911 -13.975 -10.293) 17.792 14.649 ( 3.428 2.757 -4.710) 6.445 14.797 ( -6.578 1.600 -5.540) 8.747 15.472 ( -5.614 4.529 -2.125) 7.519 15.717 ( -0.642 -3.592 3.829) 5.289 16.962 ( -13.866 5.262 -2.762) 15.086 17.632 ( -3.092 -11.958 13.691) 18.439 18.015 ( 3.173 4.913 2.422) 6.330 18.340 ( -3.225 -4.348 2.662) 6.033 18.591 ( 4.144 16.213 -2.120) 16.868 19.306 ( -6.820 -6.197 -1.837) 9.397 19.567 ( -4.626 7.440 -5.536) 10.364 20.507 ( -3.129 -23.172 -1.858) 23.456 21.357 ( 2.026 19.859 2.463) 20.114 21.778 ( 0.969 0.518 2.337) 2.583 21.815 ( 3.865 -0.032 -2.178) 4.437 21.943 ( 2.771 -3.699 5.266) 7.006 22.014 ( -0.492 -3.087 -1.864) 3.639 22.080 ( -0.713 -0.775 -1.580) 1.899 22.482 ( 2.289 6.495 2.376) 7.285 22.771 ( -0.914 3.894 -0.654) 4.053 22.887 ( -0.017 -5.762 -0.392) 5.775 23.059 ( 2.447 -2.631 4.077) 5.434 28.514 ( 4.103 0.583 -0.860) 4.233 28.547 ( 4.063 -0.197 -2.001) 4.534 28.799 ( 0.086 1.002 -2.658) 2.842 28.966 ( 6.913 -2.948 1.390) 7.643 29.422 ( 1.109 4.871 1.859) 5.331 29.853 ( -0.165 -8.269 0.855) 8.315 30.231 ( -5.915 6.757 1.674) 9.135 30.375 ( -6.422 3.710 -10.134) 12.559 30.617 ( 0.310 -1.300 1.177) 1.781 30.689 ( -0.961 -0.623 -2.720) 2.952 30.925 ( 3.534 -12.936 3.269) 13.803 31.038 ( -1.780 -10.375 -4.014) 11.266 31.243 ( 0.625 3.890 4.808) 6.216 31.333 ( 0.783 2.506 -1.765) 3.163 31.621 ( -3.445 5.528 0.287) 6.520 31.880 ( -1.041 0.228 -1.467) 1.813 32.110 ( 0.756 3.462 -2.217) 4.180 32.245 ( 7.833 1.219 -1.597) 8.087 32.406 ( -0.564 0.530 5.564) 5.617 32.566 ( -3.501 5.574 -1.240) 6.698 32.595 ( -3.953 3.001 1.562) 5.203 33.037 ( 0.170 -0.692 0.048) 0.714 33.160 ( 0.573 -7.524 0.024) 7.546 33.309 ( 5.555 -6.371 3.724) 9.237 33.639 ( -4.025 3.249 -3.133) 6.048 33.763 ( -1.012 0.052 -1.689) 1.970 33.892 ( -2.228 12.169 2.962) 12.721 34.593 ( -0.069 -7.721 1.101) 7.799 ======================= Grid point 13 (10/78) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 0.251 0.000) 0.251 1.793 ( 0.000 -4.168 0.000) 4.168 1.865 ( 0.000 10.630 0.000) 10.630 2.031 ( 0.000 9.768 0.000) 9.768 2.267 ( 0.000 -0.528 0.000) 0.528 2.434 ( 0.000 -3.285 -0.000) 3.285 2.446 ( -0.000 -7.800 0.000) 7.800 2.557 ( 0.000 2.470 0.000) 2.470 2.670 ( 0.000 3.045 -0.000) 3.045 2.723 ( -0.000 -9.968 0.000) 9.968 2.756 ( 0.000 -12.189 -0.000) 12.189 2.883 ( 0.000 6.814 -0.000) 6.814 3.036 ( 0.000 -7.301 0.000) 7.301 3.039 ( -0.000 -1.527 -0.000) 1.527 3.153 ( 0.000 11.625 0.000) 11.625 3.211 ( -0.000 -0.107 0.000) 0.107 3.214 ( 0.000 7.426 -0.000) 7.426 3.381 ( -0.000 -2.782 -0.000) 2.782 3.387 ( 0.000 12.667 0.000) 12.667 3.639 ( 0.000 0.751 0.000) 0.751 3.846 ( 0.000 5.723 0.000) 5.723 4.046 ( 0.000 -6.043 0.000) 6.043 4.142 ( 0.000 -7.330 -0.000) 7.330 4.146 ( -0.000 -8.599 0.000) 8.599 4.229 ( 0.000 -2.126 0.000) 2.126 4.370 ( 0.000 1.226 0.000) 1.226 4.438 ( 0.000 -1.463 0.000) 1.463 4.486 ( -0.000 -4.828 0.000) 4.828 4.580 ( 0.000 -0.556 -0.000) 0.556 4.600 ( 0.000 -0.540 0.000) 0.540 4.892 ( 0.000 3.425 0.000) 3.425 4.973 ( 0.000 -0.198 0.000) 0.198 5.189 ( 0.000 -0.265 0.000) 0.265 5.281 ( 0.000 5.261 0.000) 5.261 5.402 ( 0.000 3.886 0.000) 3.886 5.455 ( 0.000 0.982 0.000) 0.982 5.521 ( -0.000 0.873 0.000) 0.873 5.647 ( 0.000 5.199 0.000) 5.199 5.774 ( 0.000 3.929 0.000) 3.929 6.048 ( -0.000 3.533 0.000) 3.533 6.198 ( 0.000 3.292 0.000) 3.292 6.260 ( 0.000 8.772 0.000) 8.772 6.507 ( 0.000 3.696 0.000) 3.696 6.580 ( 0.000 -3.158 0.000) 3.158 6.647 ( 0.000 -7.004 0.000) 7.004 6.865 ( 0.000 -1.818 0.000) 1.818 6.921 ( 0.000 -9.220 0.000) 9.220 6.954 ( 0.000 -5.423 0.000) 5.423 7.048 ( -0.000 1.773 -0.000) 1.773 7.118 ( 0.000 -9.928 0.000) 9.928 7.205 ( 0.000 -1.041 -0.000) 1.041 7.324 ( 0.000 -6.381 0.000) 6.381 7.464 ( 0.000 -4.294 0.000) 4.294 7.547 ( 0.000 -6.200 0.000) 6.200 7.775 ( 0.000 4.137 0.000) 4.137 7.950 ( 0.000 2.630 0.000) 2.630 8.113 ( 0.000 -8.910 0.000) 8.910 8.147 ( -0.000 -10.080 -0.000) 10.080 8.428 ( 0.000 0.100 0.000) 0.100 8.450 ( 0.000 3.041 0.000) 3.041 8.769 ( 0.000 5.063 0.000) 5.063 9.068 ( -0.000 3.688 -0.000) 3.688 9.143 ( 0.000 5.171 0.000) 5.171 9.160 ( 0.000 -7.272 -0.000) 7.272 9.586 ( 0.000 12.060 0.000) 12.060 9.799 ( 0.000 0.136 0.000) 0.136 9.985 ( 0.000 6.942 0.000) 6.942 10.119 ( 0.000 0.994 0.000) 0.994 10.369 ( 0.000 -0.164 0.000) 0.164 10.482 ( 0.000 -7.808 -0.000) 7.808 10.574 ( 0.000 9.242 0.000) 9.242 10.709 ( 0.000 0.778 0.000) 0.778 11.010 ( -0.000 0.202 0.000) 0.202 11.048 ( 0.000 2.964 -0.000) 2.964 11.141 ( 0.000 -2.366 0.000) 2.366 11.181 ( -0.000 -0.350 0.000) 0.350 11.562 ( 0.000 -2.365 0.000) 2.365 11.616 ( 0.000 7.658 0.000) 7.658 11.657 ( 0.000 -3.294 0.000) 3.294 11.790 ( 0.000 3.066 0.000) 3.066 11.992 ( 0.000 2.624 0.000) 2.624 12.096 ( 0.000 -10.265 0.000) 10.265 12.519 ( 0.000 8.169 0.000) 8.169 12.655 ( 0.000 -1.599 0.000) 1.599 12.769 ( 0.000 -0.207 0.000) 0.207 13.010 ( 0.000 -5.678 0.000) 5.678 13.044 ( -0.000 6.256 -0.000) 6.256 13.316 ( 0.000 6.937 0.000) 6.937 13.692 ( 0.000 -1.302 0.000) 1.302 13.722 ( 0.000 -3.521 0.000) 3.521 14.174 ( 0.000 2.764 0.000) 2.764 14.258 ( -0.000 -7.793 0.000) 7.793 14.412 ( 0.000 -3.004 0.000) 3.004 14.506 ( 0.000 -7.268 0.000) 7.268 14.650 ( 0.000 1.188 0.000) 1.188 14.725 ( 0.000 3.748 0.000) 3.748 15.418 ( 0.000 3.513 0.000) 3.513 15.735 ( 0.000 -6.236 0.000) 6.236 16.820 ( 0.000 7.219 0.000) 7.219 17.666 ( 0.000 -15.887 0.000) 15.887 18.066 ( 0.000 5.015 0.000) 5.015 18.329 ( 0.000 -2.791 0.000) 2.791 18.632 ( 0.000 16.984 0.000) 16.984 19.209 ( 0.000 -3.005 0.000) 3.005 19.508 ( 0.000 4.302 0.000) 4.302 20.460 ( 0.000 -23.867 0.000) 23.867 21.394 ( 0.000 20.199 0.000) 20.199 21.792 ( 0.000 0.368 0.000) 0.368 21.851 ( 0.000 -0.525 0.000) 0.525 21.952 ( 0.000 -1.076 0.000) 1.076 22.018 ( 0.000 -4.078 0.000) 4.078 22.079 ( 0.000 -2.452 0.000) 2.452 22.519 ( 0.000 6.432 0.000) 6.432 22.762 ( 0.000 4.518 0.000) 4.518 22.886 ( 0.000 -5.913 0.000) 5.913 23.101 ( 0.000 -2.937 0.000) 2.937 28.547 ( 0.000 0.544 0.000) 0.544 28.572 ( 0.000 -0.196 0.000) 0.196 28.783 ( 0.000 1.714 0.000) 1.714 29.036 ( 0.000 -5.020 0.000) 5.020 29.442 ( 0.000 5.670 0.000) 5.670 29.862 ( 0.000 -8.315 0.000) 8.315 30.212 ( 0.000 3.196 -0.000) 3.196 30.229 ( 0.000 9.713 0.000) 9.713 30.628 ( 0.000 -1.134 0.000) 1.134 30.667 ( 0.000 -0.897 0.000) 0.897 30.970 ( 0.000 -9.317 0.000) 9.317 31.004 ( 0.000 -16.204 -0.000) 16.204 31.296 ( 0.000 5.720 0.000) 5.720 31.318 ( 0.000 2.069 -0.000) 2.069 31.579 ( 0.000 7.630 0.000) 7.630 31.857 ( 0.000 1.690 -0.000) 1.690 32.107 ( 0.000 1.715 0.000) 1.715 32.321 ( -0.000 -0.515 0.000) 0.515 32.421 ( 0.000 3.806 0.000) 3.806 32.519 ( 0.000 2.673 0.000) 2.673 32.576 ( 0.000 4.619 0.000) 4.619 33.036 ( 0.000 -3.495 0.000) 3.495 33.169 ( 0.000 -6.988 0.000) 6.988 33.413 ( 0.000 -10.516 0.000) 10.516 33.550 ( 0.000 7.531 0.000) 7.531 33.742 ( 0.000 0.552 0.000) 0.552 33.893 ( 0.000 11.664 0.000) 11.664 34.599 ( 0.000 -7.790 0.000) 7.790 ======================= Grid point 18 (11/78) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 33.044 0.000) 33.044 1.476 ( 0.000 30.386 0.000) 30.386 1.590 ( 0.000 -22.865 0.000) 22.865 1.642 ( 0.000 13.958 0.000) 13.958 2.059 ( 0.000 15.251 0.000) 15.251 2.180 ( 0.000 -7.484 0.000) 7.484 2.181 ( 0.000 -11.330 0.000) 11.330 2.325 ( 0.000 -10.203 0.000) 10.203 2.538 ( 0.000 -0.922 0.000) 0.922 2.540 ( 0.000 -1.648 0.000) 1.648 2.746 ( 0.000 -0.762 0.000) 0.762 2.755 ( 0.000 -1.049 0.000) 1.049 2.920 ( 0.000 2.188 0.000) 2.188 2.933 ( 0.000 1.633 0.000) 1.633 3.106 ( 0.000 -2.264 0.000) 2.264 3.139 ( 0.000 -1.250 0.000) 1.250 3.266 ( 0.000 1.251 0.000) 1.251 3.325 ( 0.000 1.506 0.000) 1.506 3.442 ( 0.000 6.073 0.000) 6.073 3.509 ( 0.000 -1.702 0.000) 1.702 3.660 ( 0.000 4.776 0.000) 4.776 3.709 ( 0.000 2.268 0.000) 2.268 3.878 ( 0.000 -5.526 0.000) 5.526 3.885 ( 0.000 6.553 0.000) 6.553 4.040 ( 0.000 -1.382 0.000) 1.382 4.148 ( 0.000 -4.841 0.000) 4.841 4.380 ( 0.000 8.894 0.000) 8.894 4.562 ( 0.000 -7.867 0.000) 7.867 4.680 ( 0.000 -4.893 0.000) 4.893 4.734 ( 0.000 -4.106 0.000) 4.106 4.789 ( 0.000 0.517 0.000) 0.517 4.856 ( 0.000 -10.247 0.000) 10.247 5.131 ( 0.000 3.437 0.000) 3.437 5.235 ( 0.000 -6.592 0.000) 6.592 5.340 ( 0.000 0.928 0.000) 0.928 5.377 ( 0.000 -2.107 0.000) 2.107 5.498 ( 0.000 1.211 0.000) 1.211 5.503 ( 0.000 -2.180 0.000) 2.180 6.065 ( 0.000 3.438 0.000) 3.438 6.147 ( 0.000 -3.856 0.000) 3.856 6.227 ( 0.000 13.837 0.000) 13.837 6.345 ( 0.000 22.511 0.000) 22.511 6.433 ( 0.000 6.561 0.000) 6.561 6.489 ( 0.000 -10.497 0.000) 10.497 6.560 ( 0.000 -4.311 0.000) 4.311 6.718 ( 0.000 -14.365 0.000) 14.365 6.824 ( 0.000 3.626 0.000) 3.626 6.864 ( 0.000 -1.426 0.000) 1.426 6.946 ( 0.000 4.756 0.000) 4.756 7.013 ( 0.000 -0.992 0.000) 0.992 7.177 ( 0.000 2.992 0.000) 2.992 7.231 ( 0.000 -2.815 0.000) 2.815 7.490 ( 0.000 -5.630 0.000) 5.630 7.531 ( 0.000 -10.394 0.000) 10.394 7.855 ( 0.000 -1.938 0.000) 1.938 7.930 ( 0.000 -6.769 0.000) 6.769 8.276 ( 0.000 12.604 0.000) 12.604 8.402 ( 0.000 7.570 0.000) 7.570 8.546 ( 0.000 -11.443 0.000) 11.443 8.611 ( 0.000 -13.479 0.000) 13.479 8.920 ( 0.000 3.844 0.000) 3.844 9.002 ( 0.000 -4.860 0.000) 4.860 9.494 ( 0.000 4.682 0.000) 4.682 9.533 ( 0.000 1.680 0.000) 1.680 9.816 ( 0.000 4.498 0.000) 4.498 9.820 ( 0.000 2.687 0.000) 2.687 9.994 ( 0.000 3.330 0.000) 3.330 10.061 ( 0.000 -1.881 0.000) 1.881 10.362 ( 0.000 12.693 0.000) 12.693 10.515 ( 0.000 -7.074 0.000) 7.074 10.655 ( 0.000 9.090 0.000) 9.090 10.886 ( 0.000 -6.760 0.000) 6.760 10.966 ( 0.000 -1.135 0.000) 1.135 11.056 ( 0.000 -6.087 0.000) 6.087 11.372 ( 0.000 11.643 0.000) 11.643 11.538 ( 0.000 -5.880 0.000) 5.880 11.757 ( 0.000 0.010 0.000) 0.010 11.768 ( 0.000 -1.551 0.000) 1.551 12.004 ( 0.000 5.876 0.000) 5.876 12.067 ( 0.000 0.439 0.000) 0.439 12.192 ( 0.000 1.221 0.000) 1.221 12.261 ( 0.000 -2.819 0.000) 2.819 12.349 ( 0.000 1.946 0.000) 1.946 12.397 ( 0.000 -1.365 0.000) 1.365 12.492 ( 0.000 2.804 0.000) 2.804 12.590 ( 0.000 -6.126 0.000) 6.126 12.729 ( 0.000 4.267 0.000) 4.267 12.824 ( 0.000 -5.325 0.000) 5.325 13.101 ( 0.000 0.930 0.000) 0.930 13.120 ( 0.000 -0.968 0.000) 0.968 13.734 ( 0.000 11.305 0.000) 11.305 13.934 ( 0.000 -9.201 0.000) 9.201 13.941 ( 0.000 1.067 0.000) 1.067 13.984 ( 0.000 -3.823 0.000) 3.823 15.023 ( 0.000 0.837 0.000) 0.837 15.029 ( 0.000 0.139 0.000) 0.139 15.838 ( 0.000 10.133 0.000) 10.133 16.067 ( 0.000 -13.515 0.000) 13.515 17.233 ( 0.000 8.495 0.000) 8.495 17.414 ( 0.000 -10.469 0.000) 10.469 18.337 ( 0.000 17.258 0.000) 17.258 18.671 ( 0.000 -17.695 0.000) 17.695 18.829 ( 0.000 15.092 0.000) 15.092 19.113 ( 0.000 -14.420 0.000) 14.420 20.355 ( 0.000 3.938 0.000) 3.938 20.409 ( 0.000 -2.104 0.000) 2.104 21.178 ( 0.000 8.105 0.000) 8.105 21.335 ( 0.000 -7.793 0.000) 7.793 21.816 ( 0.000 1.869 0.000) 1.869 21.833 ( 0.000 0.833 0.000) 0.833 21.971 ( 0.000 6.588 0.000) 6.588 22.115 ( 0.000 -7.868 0.000) 7.868 22.626 ( 0.000 2.837 0.000) 2.837 22.634 ( 0.000 1.755 0.000) 1.755 22.829 ( 0.000 0.818 0.000) 0.818 22.889 ( 0.000 -4.841 0.000) 4.841 28.343 ( 0.000 0.285 0.000) 0.285 28.350 ( 0.000 -0.392 0.000) 0.392 28.565 ( 0.000 1.199 0.000) 1.199 28.589 ( 0.000 -1.240 0.000) 1.240 29.305 ( 0.000 0.479 0.000) 0.479 29.315 ( 0.000 -0.476 0.000) 0.476 30.613 ( 0.000 0.183 0.000) 0.183 30.623 ( 0.000 -0.765 0.000) 0.765 30.871 ( 0.000 5.940 0.000) 5.940 30.959 ( 0.000 -1.501 0.000) 1.501 30.994 ( 0.000 -0.572 0.000) 0.572 31.014 ( 0.000 -1.635 0.000) 1.635 31.168 ( 0.000 0.001 0.000) 0.001 31.194 ( 0.000 -3.400 0.000) 3.400 31.574 ( 0.000 5.357 0.000) 5.357 31.654 ( 0.000 -2.780 0.000) 2.780 31.983 ( 0.000 -0.121 0.000) 0.121 31.986 ( 0.000 -0.305 0.000) 0.305 32.537 ( 0.000 7.293 0.000) 7.293 32.673 ( 0.000 -6.721 0.000) 6.721 32.950 ( 0.000 4.392 0.000) 4.392 33.051 ( 0.000 -5.877 0.000) 5.877 33.270 ( 0.000 3.199 0.000) 3.199 33.318 ( 0.000 -1.602 0.000) 1.602 33.636 ( 0.000 0.974 0.000) 0.974 33.668 ( 0.000 -2.575 0.000) 2.575 34.357 ( 0.000 8.506 0.000) 8.506 34.513 ( 0.000 -7.620 0.000) 7.620 ======================= Grid point 19 (12/78) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 16.600 22.074 6.892) 28.466 1.543 ( 13.034 22.730 -1.280) 26.233 1.780 ( 13.146 -16.288 5.822) 21.726 1.855 ( 14.671 5.483 15.511) 22.043 2.096 ( 2.655 17.933 1.240) 18.171 2.206 ( 9.717 -1.504 -3.116) 10.314 2.289 ( 5.594 -4.024 0.401) 6.903 2.341 ( -1.948 -4.406 -0.103) 4.819 2.476 ( -2.872 -4.356 2.318) 5.709 2.549 ( 0.458 -7.521 7.236) 10.447 2.766 ( 1.978 1.607 -1.622) 3.021 2.851 ( 3.636 -5.665 -1.547) 6.907 2.936 ( 1.482 -0.692 0.649) 1.760 2.975 ( 4.227 -0.451 1.882) 4.649 3.119 ( 6.356 1.856 -5.570) 8.653 3.152 ( 7.968 -4.543 -6.236) 11.091 3.262 ( -0.796 8.068 -1.782) 8.301 3.309 ( -2.215 4.496 -1.167) 5.147 3.443 ( -5.448 5.950 -7.687) 11.143 3.461 ( -2.277 4.523 -2.170) 5.509 3.525 ( -0.671 -1.887 -2.125) 2.920 3.578 ( -6.877 -5.706 -1.513) 9.063 3.880 ( 3.325 -0.738 -0.691) 3.476 3.956 ( -0.047 -7.849 -6.736) 10.343 4.028 ( 2.290 7.928 5.167) 9.737 4.220 ( 2.087 -7.894 2.700) 8.600 4.363 ( -0.895 -0.492 -1.512) 1.825 4.418 ( -3.817 -5.790 -0.792) 6.980 4.589 ( -0.637 1.208 -8.261) 8.373 4.678 ( -2.255 -6.659 -4.232) 8.206 4.916 ( -0.119 0.201 -2.461) 2.472 4.927 ( -2.985 -1.223 -1.488) 3.552 5.066 ( 4.105 2.281 4.501) 6.505 5.136 ( 2.640 -6.214 0.062) 6.752 5.428 ( 5.716 6.129 4.859) 9.688 5.486 ( 10.089 -1.110 9.644) 14.001 5.664 ( 0.999 -0.012 7.053) 7.124 5.718 ( 0.070 -1.872 9.752) 9.931 5.970 ( -0.825 8.517 -1.294) 8.654 6.156 ( 3.552 -6.964 2.270) 8.140 6.218 ( -3.617 7.325 -3.425) 8.859 6.259 ( -8.235 1.334 -2.816) 8.805 6.367 ( -1.653 12.010 -4.188) 12.826 6.446 ( -3.758 -1.963 3.818) 5.706 6.599 ( 3.069 -2.236 -2.280) 4.430 6.689 ( 1.347 -3.611 1.578) 4.164 6.738 ( -0.929 5.955 -4.094) 7.286 6.854 ( 0.307 -7.804 -4.847) 9.192 6.985 ( 4.263 5.893 -1.241) 7.378 7.087 ( 3.197 -2.498 -2.331) 4.679 7.267 ( 2.658 2.629 4.108) 5.554 7.340 ( 8.406 -3.349 3.501) 9.702 7.427 ( -2.095 -1.667 -5.625) 6.230 7.544 ( 5.962 -14.197 -6.110) 16.566 7.678 ( -5.860 2.162 -8.376) 10.448 7.835 ( -4.338 -12.792 -8.745) 16.091 8.224 ( -6.200 8.465 1.350) 10.579 8.337 ( -8.693 -1.207 0.824) 8.815 8.622 ( 2.196 -1.773 3.796) 4.730 8.695 ( 2.334 -7.334 4.157) 8.748 8.960 ( 2.126 3.938 3.484) 5.672 9.032 ( 1.959 -3.745 0.651) 4.277 9.407 ( -11.841 3.206 5.825) 13.580 9.461 ( -11.371 -1.891 7.990) 14.025 9.831 ( -2.372 5.515 5.779) 8.333 9.843 ( 0.463 5.743 2.242) 6.183 10.082 ( 7.461 2.687 0.057) 7.930 10.141 ( 12.709 -1.222 -8.518) 15.349 10.301 ( -7.202 8.640 1.954) 11.417 10.413 ( -8.938 -3.491 -0.105) 9.597 10.637 ( 0.493 7.791 -3.717) 8.646 10.815 ( -3.943 -1.873 -3.673) 5.705 10.982 ( 3.578 -5.227 -2.641) 6.863 11.027 ( -1.852 -6.062 -0.253) 6.344 11.342 ( -2.113 10.631 1.192) 10.905 11.478 ( -2.725 -4.004 -0.981) 4.942 11.665 ( -7.484 3.982 -1.161) 8.556 11.789 ( -5.056 -8.652 -2.062) 10.230 11.909 ( -6.690 7.757 0.977) 10.290 12.059 ( -3.911 -7.631 1.276) 8.669 12.237 ( 1.053 2.640 -0.380) 2.868 12.268 ( 0.557 2.561 0.770) 2.732 12.283 ( -0.520 2.679 -0.521) 2.778 12.396 ( -3.140 -4.478 0.690) 5.513 12.555 ( 5.282 6.673 3.529) 9.214 12.654 ( 5.210 -3.458 2.522) 6.742 12.882 ( 16.685 7.168 -1.692) 18.238 13.048 ( 8.971 -6.763 0.253) 11.237 13.153 ( 6.914 2.664 -0.580) 7.432 13.253 ( 22.893 -10.951 -2.092) 25.464 13.777 ( 4.927 7.912 -0.018) 9.320 13.945 ( 4.893 -7.527 -2.220) 9.247 13.990 ( 4.184 1.866 1.286) 4.759 14.071 ( 8.130 -4.964 -0.759) 9.556 14.932 ( -3.532 4.623 -8.182) 10.039 15.003 ( -0.674 -3.015 -5.558) 6.359 15.792 ( -3.977 7.003 -0.488) 8.068 15.941 ( -8.731 -8.164 -6.042) 13.394 17.283 ( -2.692 6.598 12.629) 14.501 17.446 ( -4.139 -10.017 9.051) 14.121 18.215 ( -10.491 14.650 -1.400) 18.073 18.469 ( -14.254 -10.679 -1.491) 17.872 18.874 ( 3.471 13.087 -4.166) 14.166 19.136 ( 3.906 -13.471 -1.881) 14.152 20.246 ( -11.693 6.021 -1.872) 13.284 20.353 ( -4.884 -5.405 0.381) 7.294 21.331 ( 13.884 5.118 0.529) 14.806 21.421 ( 10.199 -3.413 -1.004) 10.802 21.794 ( -3.857 2.243 3.960) 5.966 21.828 ( -2.334 -1.130 2.376) 3.517 21.982 ( 0.909 6.015 0.086) 6.084 22.108 ( -0.790 -6.823 -0.178) 6.871 22.618 ( -1.305 7.223 1.027) 7.412 22.721 ( 4.059 -2.993 4.539) 6.785 22.810 ( -0.165 0.911 0.443) 1.027 22.864 ( -1.701 -4.919 -1.142) 5.329 28.376 ( 3.804 0.406 -0.735) 3.896 28.385 ( 4.491 -0.534 -0.956) 4.622 28.647 ( 9.351 3.086 -1.377) 9.943 28.719 ( 13.090 -4.574 -6.230) 15.201 29.352 ( 1.532 1.571 4.921) 5.388 29.409 ( 5.366 -5.345 9.747) 12.344 30.582 ( -4.560 -0.064 0.679) 4.611 30.590 ( -3.489 -0.710 -0.238) 3.568 30.756 ( -4.044 1.935 -6.288) 7.723 30.798 ( -5.740 -2.640 -8.488) 10.582 30.959 ( -4.692 8.556 -1.788) 9.921 31.121 ( -3.270 -7.297 -0.571) 8.017 31.155 ( 1.389 1.374 2.202) 2.944 31.198 ( 3.576 -3.733 2.888) 5.921 31.642 ( 3.440 5.378 4.372) 7.738 31.731 ( 4.146 -3.407 4.631) 7.088 32.025 ( 4.307 1.150 1.391) 4.670 32.049 ( 7.057 -1.154 -1.108) 7.236 32.492 ( -4.569 7.575 -0.238) 8.850 32.635 ( -3.245 -7.082 -1.422) 7.919 32.952 ( -0.797 4.410 1.277) 4.660 33.052 ( -0.024 -5.966 0.279) 5.972 33.171 ( -4.804 4.767 -8.159) 10.601 33.225 ( -3.557 -1.016 -5.904) 6.967 33.695 ( 1.959 1.160 4.217) 4.792 33.724 ( 3.057 -1.816 2.382) 4.279 34.289 ( -7.530 10.219 1.568) 12.790 34.465 ( -4.843 -8.308 1.137) 9.684 ======================= Grid point 20 (13/78) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 5.519 16.665 4.119) 18.032 1.726 ( 4.084 5.989 1.952) 7.507 2.043 ( 8.791 1.401 5.342) 10.382 2.108 ( -0.521 8.648 -0.150) 8.665 2.205 ( -2.056 0.012 5.927) 6.273 2.294 ( -0.894 -4.656 3.353) 5.807 2.326 ( 6.775 -2.339 -0.009) 7.167 2.416 ( 4.962 -5.811 -1.253) 7.743 2.538 ( 3.698 0.566 3.392) 5.050 2.609 ( 4.574 -2.839 3.847) 6.617 2.781 ( 3.346 8.542 3.044) 9.666 2.901 ( 2.254 0.704 -1.505) 2.800 2.948 ( -3.223 1.459 -4.649) 5.842 3.000 ( 0.283 -5.165 -0.572) 5.205 3.164 ( 4.292 5.086 -2.856) 7.242 3.232 ( 8.349 0.249 -2.888) 8.838 3.247 ( -4.824 -3.198 -6.136) 8.435 3.280 ( 5.275 -2.312 -4.926) 7.579 3.427 ( 10.036 4.587 1.333) 11.115 3.493 ( 7.160 -0.421 0.116) 7.173 3.536 ( 10.868 0.269 0.122) 10.872 3.596 ( 6.271 -6.057 0.886) 8.764 3.939 ( 5.578 0.327 0.151) 5.590 3.999 ( 8.739 -5.261 0.570) 10.217 4.102 ( 2.706 3.633 -0.406) 4.548 4.196 ( -2.731 -4.143 -2.545) 5.576 4.285 ( 0.665 1.258 -2.881) 3.214 4.389 ( -3.896 -8.778 -2.856) 10.020 4.516 ( 1.583 0.955 -3.179) 3.677 4.622 ( -1.435 -8.172 -1.011) 8.358 4.863 ( -0.816 1.775 7.138) 7.400 4.932 ( 0.096 -5.397 8.443) 10.021 5.245 ( 0.813 7.405 -2.155) 7.755 5.273 ( 5.185 3.908 -2.477) 6.950 5.440 ( -1.062 9.687 2.761) 10.129 5.594 ( -4.940 -4.704 -0.509) 6.840 5.716 ( 6.817 4.861 2.412) 8.713 5.790 ( 4.606 0.043 4.734) 6.605 5.975 ( -2.664 2.862 2.915) 4.877 6.038 ( -6.839 -0.534 -6.078) 9.165 6.171 ( 4.732 3.593 -4.578) 7.501 6.240 ( -7.094 0.789 -3.613) 8.000 6.374 ( 7.815 -9.373 0.359) 12.209 6.459 ( -7.925 -7.637 -3.750) 11.627 6.516 ( 4.057 12.317 2.673) 13.240 6.614 ( 1.935 3.407 -6.022) 7.185 6.890 ( 10.065 -0.115 -0.696) 10.090 6.981 ( 6.734 -4.136 2.319) 8.236 7.019 ( 5.064 -0.139 -3.721) 6.286 7.091 ( -0.235 -6.185 -3.861) 7.295 7.206 ( -3.888 7.200 0.473) 8.197 7.309 ( -1.245 -2.724 4.500) 5.406 7.508 ( -0.021 0.718 -6.200) 6.242 7.611 ( 6.156 -2.495 1.877) 6.903 7.647 ( 0.043 -10.021 -1.748) 10.172 7.707 ( 3.072 -12.051 -4.899) 13.366 8.086 ( -11.476 4.681 2.974) 12.746 8.163 ( -10.859 -2.861 0.860) 11.262 8.608 ( -4.535 1.742 -1.519) 5.090 8.685 ( -4.548 -3.811 -1.416) 6.101 9.020 ( -0.313 3.334 2.637) 4.262 9.043 ( -2.741 -0.472 1.490) 3.155 9.261 ( -12.509 2.958 8.889) 15.628 9.351 ( -11.139 -4.989 9.658) 15.564 9.811 ( -4.578 9.032 4.074) 10.915 9.866 ( -0.471 2.978 0.286) 3.029 10.151 ( -3.234 2.918 3.109) 5.352 10.203 ( -6.721 2.723 3.662) 8.124 10.281 ( 13.151 -2.908 -9.801) 16.657 10.316 ( 5.590 -0.489 -9.097) 10.688 10.611 ( 0.807 10.011 -2.707) 10.402 10.757 ( -1.227 -0.760 1.285) 1.932 11.002 ( 2.225 -4.192 -3.479) 5.885 11.017 ( 2.200 -6.443 -3.936) 7.864 11.309 ( -4.915 9.016 1.794) 10.424 11.448 ( -4.266 -4.533 2.260) 6.622 11.552 ( -4.526 1.340 1.420) 4.929 11.607 ( -8.475 -3.119 1.313) 9.126 11.819 ( -5.158 5.563 -0.211) 7.590 11.977 ( -5.297 -8.380 0.030) 9.913 12.128 ( -8.866 6.280 -1.279) 10.940 12.203 ( -6.871 -0.037 1.265) 6.986 12.356 ( 8.596 3.119 -4.026) 9.991 12.452 ( 7.474 -7.176 -2.130) 10.578 12.704 ( 4.788 5.279 4.067) 8.206 12.748 ( 4.526 0.843 3.635) 5.866 13.139 ( 6.755 2.694 -1.153) 7.363 13.150 ( 9.256 1.271 2.199) 9.598 13.342 ( 15.069 9.200 -1.669) 17.734 13.592 ( 14.200 -15.153 -4.800) 21.314 13.899 ( 9.708 5.114 -1.130) 11.030 14.083 ( 12.898 -14.402 -1.689) 19.407 14.113 ( 7.293 3.642 2.444) 8.511 14.197 ( 7.054 -4.848 -1.163) 8.638 14.793 ( -1.410 6.037 -8.816) 10.778 14.903 ( -2.367 -5.384 -8.273) 10.151 15.716 ( -4.680 1.135 0.478) 4.839 15.724 ( -9.209 0.654 -3.850) 10.002 17.302 ( -10.572 4.035 6.571) 13.085 17.413 ( -8.865 -6.628 11.415) 15.901 18.086 ( -3.641 9.355 3.281) 10.562 18.269 ( -7.932 -9.396 2.338) 12.516 18.886 ( 2.538 17.061 -2.726) 17.462 19.174 ( 1.808 -13.167 -1.698) 13.398 19.991 ( -12.352 11.429 -4.812) 17.503 20.238 ( -6.673 -14.872 -2.995) 16.574 21.546 ( 7.912 8.919 3.105) 12.320 21.644 ( 14.443 -1.208 -0.615) 14.506 21.785 ( -1.093 0.097 2.963) 3.159 21.808 ( -4.447 -2.569 5.998) 7.896 21.997 ( 1.663 3.511 -1.855) 4.305 22.083 ( -0.813 -4.821 -2.300) 5.403 22.593 ( -1.231 8.953 0.434) 9.047 22.763 ( -1.043 -8.563 -0.458) 8.639 22.846 ( 0.744 2.461 1.936) 3.218 22.895 ( 3.628 -2.491 4.984) 6.649 28.451 ( 5.732 0.805 -1.435) 5.963 28.467 ( 6.101 -0.800 -1.896) 6.439 28.790 ( 7.482 1.644 -2.054) 7.931 28.825 ( 6.442 -1.724 -4.553) 8.075 29.453 ( 3.302 5.959 5.483) 8.745 29.605 ( 5.411 -10.322 6.198) 13.200 30.455 ( -8.301 3.227 -0.146) 8.907 30.534 ( -3.427 -5.273 0.896) 6.352 30.638 ( -3.231 1.864 -7.348) 8.240 30.673 ( -0.082 -2.823 -4.749) 5.525 30.839 ( -4.484 6.999 -2.653) 8.725 30.990 ( -6.393 -8.198 -3.320) 10.913 31.233 ( 2.198 2.703 3.928) 5.251 31.290 ( 2.691 -2.934 2.954) 4.958 31.727 ( 0.951 5.836 3.711) 6.981 31.828 ( 0.995 -4.157 4.199) 5.991 32.146 ( 8.751 2.323 -1.053) 9.115 32.174 ( 8.402 -0.198 -3.681) 9.175 32.408 ( -4.980 6.550 2.771) 8.682 32.551 ( -3.815 -7.502 -1.826) 8.612 32.899 ( -6.636 8.332 -0.354) 10.657 33.038 ( -3.199 -7.117 -1.143) 7.886 33.073 ( 0.919 3.570 -1.278) 3.902 33.137 ( 0.252 -3.137 -1.395) 3.442 33.743 ( 0.331 2.028 -0.081) 2.057 33.770 ( 0.709 -0.858 -0.397) 1.182 34.184 ( -5.810 12.627 2.287) 14.087 34.409 ( -3.027 -11.047 2.047) 11.636 ======================= Grid point 21 (14/78) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -6.481 8.125 0.698) 10.417 1.700 ( -7.147 -8.617 -0.637) 11.213 2.097 ( 3.171 12.383 -3.493) 13.252 2.184 ( -0.816 5.852 5.463) 8.047 2.232 ( 5.848 3.974 5.569) 9.000 2.344 ( -3.264 -4.319 3.989) 6.724 2.368 ( -0.878 -0.114 0.077) 0.889 2.479 ( 4.158 -8.461 -2.024) 9.642 2.621 ( 1.738 -3.057 -6.667) 7.537 2.642 ( 5.382 -2.422 -2.281) 6.327 2.811 ( -3.322 4.201 -0.796) 5.415 2.894 ( -1.326 -3.771 0.982) 4.116 2.947 ( 2.784 6.631 6.095) 9.427 3.028 ( 0.271 -2.773 1.787) 3.310 3.147 ( 2.518 2.312 -4.560) 5.699 3.222 ( 1.528 -2.009 -0.472) 2.568 3.297 ( 3.846 3.261 -1.857) 5.374 3.346 ( 3.625 -0.950 -0.658) 3.805 3.573 ( 4.111 8.684 7.078) 11.934 3.673 ( 11.639 -4.642 5.061) 13.514 3.698 ( 5.717 5.390 -3.244) 8.501 3.799 ( 11.698 -0.844 -0.612) 11.744 3.977 ( 1.568 -4.191 3.375) 5.605 4.018 ( -9.184 -10.689 2.113) 14.251 4.165 ( 1.485 7.422 -2.420) 7.946 4.251 ( 6.804 -1.484 -2.834) 7.518 4.307 ( 8.521 -6.811 -0.206) 10.911 4.377 ( 0.953 -10.478 -6.168) 12.196 4.696 ( 17.178 2.898 5.998) 18.424 4.773 ( 17.359 -2.701 8.176) 19.377 4.864 ( -12.022 4.164 -2.676) 13.001 4.943 ( -12.017 -4.842 -1.489) 13.041 5.126 ( -2.780 5.601 1.526) 6.437 5.158 ( 0.830 2.301 3.007) 3.876 5.516 ( 3.418 4.753 -2.599) 6.405 5.594 ( 2.714 -1.379 -4.814) 5.696 5.691 ( -3.257 13.959 -9.421) 17.153 5.802 ( -5.577 11.117 -5.876) 13.756 5.957 ( -4.561 7.022 -1.930) 8.593 6.023 ( 3.782 -7.190 3.215) 8.737 6.088 ( 4.673 -11.699 2.854) 12.917 6.200 ( -5.982 -9.543 -0.093) 11.263 6.439 ( 14.618 2.589 0.875) 14.871 6.487 ( 8.084 -0.335 -1.899) 8.311 6.666 ( 5.744 4.504 -0.972) 7.364 6.726 ( 12.128 3.962 2.317) 12.968 6.848 ( -5.517 -4.402 -5.497) 8.946 6.896 ( -8.244 -2.384 -4.395) 9.641 7.026 ( -4.686 -2.121 0.717) 5.193 7.102 ( 1.050 -6.673 0.406) 6.767 7.294 ( 0.722 3.472 2.142) 4.143 7.358 ( -9.470 -1.310 -1.709) 9.711 7.417 ( -0.464 -1.368 3.122) 3.440 7.452 ( -9.403 -3.639 -0.365) 10.089 7.719 ( 6.341 0.993 1.159) 6.522 7.853 ( 7.416 -11.016 0.616) 13.294 7.969 ( -2.566 2.053 1.459) 3.595 8.029 ( -4.547 -5.664 1.011) 7.334 8.494 ( -5.879 3.296 0.170) 6.742 8.566 ( -5.462 -2.551 -2.859) 6.672 8.933 ( -6.320 4.462 -1.798) 7.943 9.015 ( -2.918 -4.636 -0.678) 5.520 9.180 ( -7.001 5.663 9.306) 12.949 9.270 ( -7.407 -2.814 5.444) 9.613 9.792 ( -1.987 8.146 3.882) 9.240 9.844 ( -0.257 1.874 -1.906) 2.685 10.113 ( -2.501 4.635 2.284) 5.740 10.161 ( -1.266 1.778 0.991) 2.397 10.337 ( 5.320 -2.581 -8.524) 10.374 10.347 ( 4.808 -5.627 -8.355) 11.162 10.658 ( 5.466 9.874 1.348) 11.367 10.765 ( -0.179 3.634 1.473) 3.925 10.976 ( -1.242 -5.796 -4.239) 7.288 11.006 ( 1.529 -5.194 -3.917) 6.683 11.227 ( -4.664 5.003 1.035) 6.918 11.308 ( -9.072 -1.600 0.424) 9.222 11.529 ( -1.465 2.141 3.151) 4.082 11.598 ( -1.946 -4.155 4.794) 6.636 11.749 ( -1.315 7.216 -0.727) 7.370 11.907 ( -2.628 -4.642 0.364) 5.347 11.977 ( -6.241 2.989 -1.302) 7.042 12.077 ( -7.435 -2.745 0.410) 7.936 12.504 ( 10.551 1.360 -2.283) 10.881 12.551 ( 6.788 -3.223 -2.714) 7.990 12.794 ( 1.636 5.360 2.843) 6.284 12.866 ( 3.587 -2.082 3.616) 5.502 13.198 ( 2.732 7.428 -1.053) 7.985 13.308 ( 5.764 -2.546 1.061) 6.390 13.563 ( 10.221 5.816 0.030) 11.760 13.676 ( 2.615 -6.041 -2.484) 7.036 14.071 ( 11.443 4.228 -3.408) 12.666 14.233 ( 1.559 -8.149 1.499) 8.431 14.254 ( 4.176 0.635 5.763) 7.145 14.312 ( 9.655 -9.601 -5.464) 14.672 14.714 ( 0.535 3.843 -5.979) 7.128 14.783 ( -2.125 -2.891 -6.027) 7.014 15.565 ( -5.645 4.784 -1.663) 7.584 15.645 ( -3.690 -3.889 0.374) 5.374 17.121 ( -10.680 11.513 1.115) 15.743 17.373 ( -6.708 -14.475 6.228) 17.126 18.123 ( 1.446 6.137 4.498) 7.745 18.238 ( -1.140 -6.014 4.380) 7.526 18.913 ( 2.069 16.042 0.172) 16.176 19.158 ( -2.040 -10.000 -0.628) 10.225 19.761 ( -7.090 13.755 -5.582) 16.451 20.089 ( -5.433 -20.580 -3.778) 21.618 21.677 ( 1.194 13.355 7.408) 15.319 21.792 ( 0.425 0.699 0.954) 1.257 21.810 ( 2.606 -0.511 -0.788) 2.770 21.859 ( 5.733 -5.304 4.606) 9.067 21.986 ( -0.196 0.483 -3.830) 3.865 22.034 ( -0.598 -3.691 -4.006) 5.479 22.604 ( 1.249 6.778 0.986) 6.962 22.747 ( 0.148 -8.091 -0.416) 8.103 22.878 ( 0.243 6.353 1.763) 6.597 22.988 ( 1.763 -4.947 3.281) 6.192 28.527 ( 4.225 0.741 -1.292) 4.480 28.540 ( 4.133 -0.535 -1.764) 4.525 28.834 ( 1.374 2.748 -1.439) 3.392 28.898 ( 3.753 -3.868 -0.259) 5.396 29.544 ( 1.983 7.671 2.331) 8.259 29.696 ( 1.523 -8.320 1.260) 8.551 30.343 ( -4.814 6.502 1.503) 8.228 30.457 ( -3.585 -0.218 -4.412) 5.689 30.569 ( -0.370 -1.519 0.497) 1.641 30.630 ( -0.370 -4.750 -3.501) 5.912 30.783 ( -0.726 0.409 -0.104) 0.840 30.868 ( -3.540 -7.467 -2.925) 8.766 31.306 ( 1.843 2.927 3.364) 4.825 31.347 ( 1.472 -1.060 1.164) 2.155 31.746 ( -1.573 6.892 1.850) 7.307 31.851 ( -1.239 -3.700 1.781) 4.289 32.201 ( 0.828 5.296 -4.647) 7.094 32.263 ( 6.186 -0.525 -4.005) 7.388 32.427 ( 0.991 2.421 5.524) 6.112 32.506 ( 0.969 -4.893 -0.633) 5.028 32.780 ( -6.248 9.212 0.779) 11.158 32.939 ( -4.706 -8.028 -1.395) 9.410 33.119 ( 2.392 2.048 1.249) 3.387 33.189 ( 3.444 -5.369 2.124) 6.724 33.706 ( -2.208 3.061 -2.564) 4.563 33.747 ( -1.135 -1.430 -1.981) 2.694 34.145 ( -1.653 13.923 1.935) 14.154 34.398 ( -0.712 -12.484 1.446) 12.587 ======================= Grid point 22 (15/78) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 4.353 0.000) 4.353 1.619 ( 0.000 -10.474 0.000) 10.474 2.111 ( 0.000 14.083 0.000) 14.083 2.189 ( 0.000 7.426 0.000) 7.426 2.337 ( -0.000 -2.964 0.000) 2.964 2.345 ( 0.000 -2.602 -0.000) 2.602 2.352 ( -0.000 -3.016 0.000) 3.016 2.416 ( 0.000 -13.169 -0.000) 13.169 2.628 ( 0.000 5.878 -0.000) 5.878 2.736 ( -0.000 4.298 -0.000) 4.298 2.746 ( 0.000 3.958 0.000) 3.958 2.862 ( 0.000 -10.793 0.000) 10.793 3.018 ( -0.000 5.673 0.000) 5.673 3.045 ( 0.000 0.989 0.000) 0.989 3.171 ( 0.000 -0.876 -0.000) 0.876 3.215 ( 0.000 -1.049 0.000) 1.049 3.343 ( 0.000 1.889 0.000) 1.889 3.359 ( 0.000 -0.715 0.000) 0.715 3.640 ( -0.000 13.033 0.000) 13.033 3.715 ( 0.000 8.300 0.000) 8.300 3.841 ( 0.000 -9.582 0.000) 9.582 3.937 ( 0.000 -12.342 0.000) 12.342 4.018 ( 0.000 2.213 0.000) 2.213 4.024 ( -0.000 -3.260 0.000) 3.260 4.150 ( 0.000 1.326 0.000) 1.326 4.305 ( 0.000 -9.161 -0.000) 9.161 4.424 ( 0.000 -0.379 -0.000) 0.379 4.427 ( -0.000 -0.287 0.000) 0.287 4.559 ( 0.000 -0.143 0.000) 0.143 4.585 ( -0.000 -1.990 0.000) 1.990 4.987 ( -0.000 5.539 0.000) 5.539 5.040 ( 0.000 2.698 0.000) 2.698 5.162 ( 0.000 0.343 0.000) 0.343 5.235 ( 0.000 -4.676 0.000) 4.676 5.547 ( -0.000 7.781 0.000) 7.781 5.556 ( 0.000 2.775 0.000) 2.775 5.658 ( 0.000 11.304 0.000) 11.304 5.687 ( 0.000 2.094 0.000) 2.094 5.864 ( 0.000 6.770 0.000) 6.770 6.077 ( 0.000 -12.085 0.000) 12.085 6.121 ( 0.000 0.634 0.000) 0.634 6.204 ( 0.000 -14.081 0.000) 14.081 6.615 ( 0.000 8.111 -0.000) 8.111 6.626 ( -0.000 9.252 0.000) 9.252 6.670 ( 0.000 6.097 0.000) 6.097 6.743 ( 0.000 -7.789 0.000) 7.789 6.798 ( 0.000 -4.329 0.000) 4.329 6.858 ( -0.000 -9.907 0.000) 9.907 6.994 ( 0.000 4.584 0.000) 4.584 7.100 ( 0.000 2.342 0.000) 2.342 7.156 ( 0.000 -3.912 0.000) 3.912 7.224 ( 0.000 -6.436 0.000) 6.436 7.405 ( 0.000 -0.036 0.000) 0.036 7.455 ( 0.000 -4.280 0.000) 4.280 7.818 ( -0.000 1.279 0.000) 1.279 7.862 ( 0.000 -5.239 -0.000) 5.239 7.989 ( 0.000 -2.668 0.000) 2.668 8.031 ( 0.000 -5.376 0.000) 5.376 8.450 ( 0.000 2.498 0.000) 2.498 8.484 ( 0.000 -0.185 0.000) 0.185 8.861 ( 0.000 4.480 0.000) 4.480 8.967 ( 0.000 -7.344 0.000) 7.344 9.195 ( 0.000 3.762 -0.000) 3.762 9.209 ( 0.000 2.039 0.000) 2.039 9.802 ( 0.000 7.115 -0.000) 7.115 9.830 ( 0.000 2.007 0.000) 2.007 10.110 ( 0.000 6.218 0.000) 6.218 10.155 ( 0.000 2.437 -0.000) 2.437 10.333 ( 0.000 -3.599 -0.000) 3.599 10.336 ( -0.000 -6.471 0.000) 6.471 10.745 ( 0.000 4.179 0.000) 4.179 10.769 ( 0.000 8.359 -0.000) 8.359 10.919 ( 0.000 -5.172 0.000) 5.172 10.996 ( 0.000 -6.999 0.000) 6.999 11.189 ( 0.000 4.621 0.000) 4.621 11.231 ( 0.000 1.582 0.000) 1.582 11.537 ( 0.000 0.974 0.000) 0.974 11.590 ( 0.000 -3.587 0.000) 3.587 11.751 ( 0.000 6.566 0.000) 6.566 11.897 ( 0.000 7.624 0.000) 7.624 11.901 ( -0.000 -9.578 -0.000) 9.578 12.005 ( 0.000 -2.598 0.000) 2.598 12.591 ( 0.000 0.366 0.000) 0.366 12.612 ( 0.000 -2.304 0.000) 2.304 12.819 ( 0.000 5.467 0.000) 5.467 12.919 ( 0.000 -4.645 0.000) 4.645 13.214 ( 0.000 10.461 0.000) 10.461 13.364 ( 0.000 -3.404 0.000) 3.404 13.670 ( -0.000 -0.659 0.000) 0.659 13.674 ( 0.000 -1.130 0.000) 1.130 14.173 ( 0.000 0.885 -0.000) 0.885 14.230 ( 0.000 1.188 0.000) 1.188 14.343 ( 0.000 -7.057 -0.000) 7.057 14.352 ( -0.000 -3.552 0.000) 3.552 14.685 ( 0.000 2.504 0.000) 2.504 14.733 ( 0.000 -2.019 0.000) 2.019 15.506 ( 0.000 5.319 0.000) 5.319 15.612 ( 0.000 -6.140 0.000) 6.140 17.027 ( 0.000 14.501 0.000) 14.501 17.339 ( 0.000 -17.829 0.000) 17.829 18.168 ( 0.000 5.352 0.000) 5.352 18.260 ( 0.000 -4.360 0.000) 4.360 18.942 ( 0.000 13.822 0.000) 13.822 19.125 ( 0.000 -6.320 0.000) 6.320 19.666 ( 0.000 13.539 0.000) 13.539 20.015 ( 0.000 -22.374 0.000) 22.374 21.726 ( 0.000 12.985 0.000) 12.985 21.799 ( 0.000 0.259 -0.000) 0.259 21.849 ( 0.000 1.577 0.000) 1.577 21.935 ( -0.000 -0.860 -0.000) 0.860 21.960 ( -0.000 -1.849 -0.000) 1.849 21.991 ( 0.000 -6.853 0.000) 6.853 22.626 ( 0.000 5.492 0.000) 5.492 22.750 ( 0.000 -7.599 0.000) 7.599 22.888 ( 0.000 7.787 0.000) 7.787 23.019 ( 0.000 -5.772 0.000) 5.772 28.559 ( 0.000 0.552 0.000) 0.552 28.567 ( 0.000 -0.366 0.000) 0.366 28.837 ( 0.000 4.016 0.000) 4.016 28.931 ( 0.000 -5.690 0.000) 5.690 29.569 ( 0.000 7.457 0.000) 7.457 29.712 ( 0.000 -7.708 0.000) 7.708 30.317 ( 0.000 7.799 0.000) 7.799 30.388 ( 0.000 5.153 0.000) 5.153 30.587 ( -0.000 -3.293 -0.000) 3.293 30.594 ( 0.000 -7.142 0.000) 7.142 30.783 ( 0.000 -3.506 0.000) 3.506 30.820 ( 0.000 -5.834 -0.000) 5.834 31.351 ( 0.000 1.423 0.000) 1.423 31.359 ( 0.000 1.056 -0.000) 1.056 31.736 ( 0.000 7.811 0.000) 7.811 31.845 ( 0.000 -3.337 0.000) 3.337 32.178 ( 0.000 5.610 0.000) 5.610 32.282 ( 0.000 -4.228 0.000) 4.228 32.493 ( -0.000 2.932 -0.000) 2.932 32.516 ( 0.000 -0.165 0.000) 0.165 32.725 ( 0.000 7.920 0.000) 7.920 32.884 ( 0.000 -9.522 0.000) 9.522 33.150 ( 0.000 2.682 0.000) 2.682 33.242 ( 0.000 -7.186 0.000) 7.186 33.662 ( 0.000 4.431 0.000) 4.431 33.722 ( 0.000 -2.135 0.000) 2.135 34.144 ( 0.000 14.061 0.000) 14.061 34.401 ( 0.000 -12.702 0.000) 12.702 ======================= Grid point 45 (16/78) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -9.813 0.000 32.409) 33.862 0.685 ( 17.832 0.000 34.521) 38.854 1.130 ( -13.019 0.000 55.976) 57.470 1.698 ( 0.146 0.000 6.706) 6.708 2.175 ( 12.350 0.000 -5.286) 13.434 2.220 ( -8.141 0.000 -4.830) 9.466 2.496 ( -6.617 0.000 -2.990) 7.262 2.595 ( 2.857 0.000 -3.638) 4.626 2.632 ( -4.602 0.000 0.334) 4.614 2.719 ( 0.653 0.000 3.165) 3.232 2.748 ( -2.240 0.000 -0.027) 2.241 2.761 ( 9.481 0.000 0.112) 9.481 2.825 ( -5.344 0.000 -2.238) 5.794 2.841 ( -8.448 0.000 -2.737) 8.880 2.982 ( 4.836 0.000 4.741) 6.773 3.053 ( 0.050 0.000 0.234) 0.240 3.124 ( -1.365 0.000 1.484) 2.016 3.319 ( 3.091 0.000 1.495) 3.433 3.418 ( -11.082 0.000 -6.916) 13.063 3.555 ( 0.604 0.000 -1.823) 1.920 3.567 ( -9.100 0.000 0.400) 9.109 3.605 ( -2.220 0.000 -3.068) 3.787 3.781 ( 2.570 0.000 -7.536) 7.962 3.819 ( 6.494 0.000 2.004) 6.796 4.019 ( 3.383 0.000 -3.157) 4.627 4.507 ( 4.225 0.000 -1.062) 4.356 4.523 ( -2.955 0.000 7.798) 8.339 4.557 ( -4.745 0.000 3.090) 5.662 4.635 ( -0.146 0.000 -5.790) 5.792 4.800 ( -1.569 0.000 -1.620) 2.255 4.986 ( -9.659 0.000 -3.118) 10.150 5.031 ( 2.499 0.000 -1.751) 3.052 5.172 ( -4.365 0.000 0.664) 4.415 5.309 ( -15.129 0.000 -5.799) 16.203 5.366 ( -1.997 0.000 1.551) 2.529 5.550 ( 1.790 0.000 -4.813) 5.135 5.561 ( 17.614 0.000 4.539) 18.190 5.658 ( 10.926 0.000 4.544) 11.833 5.694 ( 5.820 0.000 -1.600) 6.036 5.965 ( -14.102 0.000 -1.430) 14.175 6.157 ( 7.595 0.000 11.420) 13.715 6.166 ( 4.203 0.000 -7.648) 8.727 6.341 ( -1.596 0.000 -3.417) 3.771 6.388 ( -0.400 0.000 -6.925) 6.936 6.562 ( -2.028 0.000 -9.381) 9.598 6.603 ( -13.264 0.000 2.417) 13.482 6.692 ( -1.157 0.000 -4.734) 4.874 6.891 ( 0.159 0.000 -3.671) 3.674 6.917 ( 0.231 0.000 0.073) 0.242 7.071 ( 0.955 0.000 5.410) 5.494 7.158 ( 10.343 0.000 8.446) 13.354 7.270 ( 1.621 0.000 2.715) 3.162 7.654 ( -7.262 0.000 -13.213) 15.077 7.899 ( 10.917 0.000 -2.688) 11.243 8.104 ( -0.639 0.000 7.190) 7.218 8.245 ( -21.599 0.000 -1.843) 21.678 8.460 ( 1.483 0.000 6.842) 7.001 8.559 ( 2.542 0.000 -4.095) 4.820 8.613 ( -3.923 0.000 0.814) 4.007 8.762 ( 0.203 0.000 1.649) 1.662 8.868 ( 0.197 0.000 4.031) 4.036 8.922 ( 4.561 0.000 -7.438) 8.725 9.348 ( -1.180 0.000 6.982) 7.081 9.487 ( 4.893 0.000 1.579) 5.142 9.518 ( 5.018 0.000 0.782) 5.078 9.730 ( 0.602 0.000 -0.159) 0.622 9.830 ( 6.532 0.000 0.271) 6.537 9.896 ( -5.010 0.000 -7.334) 8.882 10.182 ( 5.299 0.000 7.292) 9.014 10.653 ( -12.354 0.000 -6.154) 13.802 10.699 ( 3.232 0.000 1.789) 3.694 10.830 ( 8.490 0.000 0.768) 8.525 11.203 ( -32.542 0.000 -0.057) 32.542 11.239 ( -10.786 0.000 11.503) 15.769 11.359 ( -17.353 0.000 5.731) 18.275 11.576 ( -3.961 0.000 -6.148) 7.314 11.763 ( 7.778 0.000 -1.741) 7.971 11.779 ( 3.253 0.000 -3.356) 4.674 11.923 ( -5.790 0.000 1.792) 6.060 11.924 ( -6.417 0.000 0.613) 6.446 12.132 ( 3.473 0.000 2.285) 4.158 12.178 ( 7.838 0.000 1.608) 8.002 12.358 ( -8.324 0.000 -4.692) 9.555 12.469 ( -2.245 0.000 0.968) 2.445 12.478 ( 9.322 0.000 0.201) 9.324 12.668 ( 15.348 0.000 -3.163) 15.671 12.735 ( -7.503 0.000 1.450) 7.642 12.745 ( 38.561 0.000 0.613) 38.566 13.074 ( -0.140 0.000 -2.781) 2.785 13.113 ( -0.789 0.000 -2.654) 2.769 13.927 ( 7.137 0.000 4.944) 8.682 14.037 ( -4.173 0.000 -3.264) 5.298 14.054 ( 7.574 0.000 -3.360) 8.286 14.200 ( 0.327 0.000 4.602) 4.614 14.433 ( 1.382 0.000 -4.998) 5.186 14.924 ( 2.959 0.000 -9.117) 9.585 15.667 ( 3.667 0.000 1.296) 3.889 16.187 ( -8.199 0.000 -15.017) 17.109 17.202 ( 16.397 0.000 19.824) 25.726 17.803 ( -1.673 0.000 6.135) 6.359 17.874 ( -6.801 0.000 -3.073) 7.463 18.438 ( -6.247 0.000 -2.897) 6.886 18.849 ( -8.545 0.000 11.736) 14.518 19.449 ( -4.169 0.000 4.377) 6.044 20.111 ( 6.536 0.000 -7.887) 10.244 20.347 ( 3.484 0.000 -10.673) 11.227 21.000 ( 5.404 0.000 -0.881) 5.475 21.430 ( -5.282 0.000 -5.890) 7.911 21.737 ( 2.820 0.000 3.477) 4.477 21.912 ( -0.623 0.000 3.073) 3.135 21.945 ( -4.149 0.000 6.990) 8.129 22.334 ( 1.187 0.000 0.876) 1.475 22.531 ( -2.121 0.000 0.982) 2.337 22.788 ( 2.225 0.000 -3.035) 3.763 22.929 ( 2.593 0.000 0.349) 2.616 22.995 ( -1.976 0.000 -1.486) 2.472 28.333 ( -0.188 0.000 -0.559) 0.589 28.350 ( -0.127 0.000 -0.830) 0.840 28.525 ( 0.607 0.000 0.914) 1.097 28.601 ( -21.459 0.000 -0.261) 21.460 29.402 ( -3.374 0.000 7.503) 8.227 30.088 ( 1.883 0.000 -2.782) 3.359 30.223 ( 8.397 0.000 5.472) 10.023 30.618 ( 0.706 0.000 -0.359) 0.792 30.645 ( 0.643 0.000 0.133) 0.656 30.923 ( -9.399 0.000 -0.043) 9.399 30.954 ( -6.497 0.000 -5.644) 8.606 31.087 ( 4.025 0.000 0.707) 4.087 31.192 ( 2.500 0.000 1.434) 2.883 31.367 ( 2.437 0.000 -5.054) 5.611 31.709 ( 3.120 0.000 2.696) 4.123 31.741 ( -1.731 0.000 -1.762) 2.470 31.895 ( 2.887 0.000 1.535) 3.270 32.241 ( 3.352 0.000 -3.669) 4.970 32.481 ( -1.387 0.000 6.871) 7.009 32.536 ( -13.636 0.000 -0.357) 13.640 32.835 ( -4.422 0.000 2.192) 4.936 32.936 ( 1.915 0.000 1.521) 2.446 33.165 ( 3.188 0.000 -4.332) 5.379 33.166 ( 0.351 0.000 -1.313) 1.359 33.751 ( -0.261 0.000 1.248) 1.275 33.809 ( -3.931 0.000 5.207) 6.524 34.044 ( 23.543 0.000 -2.696) 23.697 34.480 ( 8.022 0.000 -6.032) 10.037 ======================= Grid point 46 (17/78) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 4.617 0.000 27.985) 28.364 1.220 ( 4.529 0.000 34.617) 34.912 1.805 ( 9.152 0.000 22.098) 23.918 1.878 ( 23.061 0.000 16.311) 28.246 2.123 ( 4.589 0.000 -5.737) 7.347 2.284 ( -5.886 0.000 -1.696) 6.126 2.346 ( 6.713 0.000 -4.042) 7.836 2.506 ( -5.275 0.000 2.833) 5.988 2.660 ( 8.560 0.000 -5.775) 10.326 2.697 ( -0.988 0.000 -3.557) 3.691 2.795 ( 1.694 0.000 8.277) 8.448 2.796 ( -0.152 0.000 5.079) 5.081 2.865 ( 9.091 0.000 1.027) 9.149 2.967 ( 11.611 0.000 -3.106) 12.019 2.989 ( -1.542 0.000 -3.295) 3.638 3.101 ( 0.631 0.000 -0.807) 1.025 3.214 ( 8.890 0.000 1.642) 9.041 3.229 ( -0.630 0.000 0.757) 0.985 3.370 ( 2.582 0.000 -2.385) 3.515 3.454 ( -7.509 0.000 8.069) 11.023 3.518 ( 0.439 0.000 -9.576) 9.587 3.538 ( 1.812 0.000 -7.946) 8.150 3.839 ( 12.300 0.000 -4.934) 13.253 3.914 ( 4.076 0.000 -1.757) 4.438 4.054 ( 5.764 0.000 -9.000) 10.687 4.148 ( -23.167 0.000 1.307) 23.204 4.516 ( -5.057 0.000 -1.165) 5.189 4.594 ( 2.576 0.000 0.218) 2.585 4.729 ( -9.883 0.000 -8.558) 13.073 4.775 ( 3.345 0.000 -6.389) 7.212 4.890 ( -11.102 0.000 -2.704) 11.426 4.941 ( 14.728 0.000 17.661) 22.996 5.147 ( -5.527 0.000 5.645) 7.900 5.154 ( -0.416 0.000 -1.739) 1.788 5.354 ( -0.949 0.000 1.391) 1.684 5.466 ( -2.869 0.000 -1.116) 3.078 5.625 ( 7.537 0.000 -3.701) 8.396 5.733 ( -11.046 0.000 -6.226) 12.680 5.919 ( -5.857 0.000 -2.484) 6.362 5.957 ( 10.136 0.000 5.755) 11.656 6.040 ( -4.834 0.000 -7.935) 9.292 6.324 ( 1.926 0.000 -6.678) 6.950 6.352 ( -7.782 0.000 2.311) 8.118 6.422 ( 7.916 0.000 7.128) 10.652 6.457 ( -0.155 0.000 -5.173) 5.175 6.504 ( 19.606 0.000 9.259) 21.682 6.728 ( 8.259 0.000 -2.777) 8.713 6.915 ( 6.201 0.000 -1.546) 6.391 6.933 ( 3.855 0.000 2.290) 4.484 7.007 ( -6.579 0.000 -12.668) 14.275 7.292 ( 4.365 0.000 -0.629) 4.410 7.335 ( -0.664 0.000 1.209) 1.380 7.610 ( 5.621 0.000 4.530) 7.219 7.902 ( -4.291 0.000 -8.177) 9.234 7.979 ( -10.179 0.000 5.352) 11.500 8.107 ( -7.467 0.000 6.696) 10.030 8.483 ( -3.571 0.000 -5.140) 6.259 8.511 ( -3.099 0.000 1.596) 3.486 8.578 ( -4.486 0.000 5.019) 6.732 8.769 ( 0.144 0.000 -4.853) 4.855 8.881 ( -3.634 0.000 2.326) 4.315 8.931 ( 1.377 0.000 2.584) 2.928 9.356 ( -4.083 0.000 4.350) 5.966 9.536 ( -4.784 0.000 5.736) 7.469 9.597 ( -1.345 0.000 3.591) 3.835 9.771 ( 5.720 0.000 -14.863) 15.926 9.774 ( 5.980 0.000 0.512) 6.002 9.929 ( 4.049 0.000 -2.477) 4.747 10.332 ( -0.958 0.000 11.426) 11.466 10.362 ( -9.330 0.000 -7.812) 12.168 10.747 ( -17.446 0.000 4.536) 18.026 10.777 ( 2.225 0.000 3.874) 4.468 10.996 ( 5.979 0.000 -2.853) 6.625 11.151 ( -7.584 0.000 5.522) 9.381 11.282 ( -7.831 0.000 6.038) 9.888 11.479 ( 0.609 0.000 -0.166) 0.631 11.673 ( -8.081 0.000 3.055) 8.639 11.718 ( -5.992 0.000 1.039) 6.081 11.983 ( 9.042 0.000 -3.809) 9.812 11.991 ( -11.658 0.000 -6.797) 13.494 12.192 ( -1.320 0.000 3.544) 3.782 12.212 ( 13.484 0.000 -1.491) 13.566 12.279 ( -13.452 0.000 -0.025) 13.452 12.383 ( 1.668 0.000 6.179) 6.400 12.491 ( 7.965 0.000 3.672) 8.770 12.733 ( -0.121 0.000 -2.226) 2.229 12.778 ( 4.307 0.000 -7.024) 8.239 13.057 ( 1.294 0.000 -2.359) 2.691 13.088 ( 7.461 0.000 0.647) 7.489 13.365 ( 30.503 0.000 -12.477) 32.956 13.953 ( -0.587 0.000 -6.065) 6.093 13.981 ( 3.648 0.000 4.150) 5.525 14.295 ( 5.520 0.000 3.107) 6.335 14.376 ( 19.416 0.000 -5.084) 20.071 14.416 ( 3.366 0.000 -5.904) 6.796 14.891 ( 4.092 0.000 -11.318) 12.035 15.745 ( 1.611 0.000 4.947) 5.203 15.839 ( -14.624 0.000 -11.311) 18.488 17.597 ( -18.628 0.000 -6.970) 19.889 17.667 ( 11.249 0.000 21.877) 24.600 17.864 ( 0.515 0.000 7.410) 7.427 18.314 ( -1.964 0.000 -4.772) 5.160 18.743 ( -14.763 0.000 9.171) 17.380 19.444 ( -2.038 0.000 3.305) 3.883 19.940 ( -14.962 0.000 -8.484) 17.200 20.433 ( 19.716 0.000 -9.822) 22.027 21.259 ( -7.369 0.000 -5.314) 9.085 21.263 ( 19.851 0.000 -0.230) 19.852 21.841 ( 5.965 0.000 1.587) 6.172 21.930 ( -2.849 0.000 3.082) 4.197 21.952 ( -2.651 0.000 9.341) 9.710 22.355 ( 0.276 0.000 1.514) 1.539 22.407 ( -11.284 0.000 1.294) 11.358 22.781 ( 0.046 0.000 -3.493) 3.493 22.941 ( -1.079 0.000 -2.115) 2.375 22.971 ( 2.552 0.000 5.135) 5.734 28.353 ( 3.083 0.000 -0.602) 3.141 28.369 ( 3.702 0.000 -1.353) 3.942 28.625 ( 8.821 0.000 2.318) 9.121 28.628 ( 10.025 0.000 -3.285) 10.550 29.420 ( -3.565 0.000 7.411) 8.224 30.063 ( -1.213 0.000 -2.885) 3.129 30.309 ( -3.579 0.000 2.494) 4.362 30.621 ( 0.028 0.000 -0.114) 0.117 30.712 ( -11.023 0.000 -8.141) 13.703 30.735 ( 7.924 0.000 1.979) 8.167 30.784 ( -3.751 0.000 -3.498) 5.129 31.192 ( 4.484 0.000 2.545) 5.156 31.231 ( -0.071 0.000 0.003) 0.071 31.342 ( -1.087 0.000 -3.564) 3.726 31.717 ( 3.607 0.000 -5.708) 6.752 31.734 ( -4.058 0.000 5.623) 6.935 31.962 ( 4.827 0.000 -1.781) 5.144 32.229 ( -0.770 0.000 -3.397) 3.483 32.446 ( -3.429 0.000 7.039) 7.830 32.523 ( -1.554 0.000 6.507) 6.690 32.762 ( -5.347 0.000 0.220) 5.351 32.992 ( 1.695 0.000 2.808) 3.280 33.165 ( 1.609 0.000 -1.610) 2.277 33.199 ( 5.198 0.000 -3.222) 6.116 33.706 ( -4.035 0.000 0.026) 4.035 33.833 ( -1.071 0.000 5.552) 5.654 34.009 ( -9.479 0.000 -2.274) 9.748 34.568 ( 8.028 0.000 -8.337) 11.574 ======================= Grid point 47 (18/78) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 5.631 0.000 19.585) 20.378 1.549 ( 0.646 0.000 20.827) 20.837 2.040 ( 2.958 0.000 14.747) 15.041 2.183 ( -0.630 0.000 0.773) 0.997 2.234 ( 1.735 0.000 4.916) 5.214 2.308 ( -0.740 0.000 -4.345) 4.407 2.443 ( 14.832 0.000 11.731) 18.910 2.458 ( -2.241 0.000 2.124) 3.087 2.699 ( 6.236 0.000 -13.274) 14.665 2.722 ( -1.667 0.000 5.477) 5.725 2.823 ( 4.524 0.000 1.066) 4.648 2.861 ( -0.945 0.000 5.343) 5.426 3.028 ( 4.196 0.000 -0.391) 4.214 3.029 ( 3.633 0.000 -6.561) 7.500 3.071 ( 9.776 0.000 -3.218) 10.292 3.148 ( -0.683 0.000 3.776) 3.838 3.274 ( -0.511 0.000 2.209) 2.267 3.288 ( -7.682 0.000 -14.781) 16.658 3.363 ( -4.845 0.000 8.063) 9.407 3.492 ( 7.467 0.000 2.169) 7.776 3.521 ( 18.184 0.000 -0.884) 18.205 3.597 ( 10.424 0.000 0.031) 10.424 3.860 ( -4.247 0.000 7.509) 8.627 4.088 ( 16.285 0.000 6.205) 17.427 4.132 ( 11.923 0.000 -5.203) 13.009 4.214 ( 24.812 0.000 2.940) 24.986 4.385 ( -7.237 0.000 -3.785) 8.167 4.526 ( -3.080 0.000 -8.734) 9.262 4.586 ( -0.029 0.000 -4.868) 4.868 4.689 ( -3.750 0.000 0.258) 3.759 4.843 ( 7.858 0.000 -10.892) 13.430 4.968 ( -10.305 0.000 -2.991) 10.730 5.185 ( -12.798 0.000 4.475) 13.558 5.215 ( 3.149 0.000 3.361) 4.606 5.354 ( -8.963 0.000 2.966) 9.441 5.368 ( 7.497 0.000 5.592) 9.353 5.493 ( -12.402 0.000 -5.026) 13.382 5.705 ( -3.546 0.000 0.118) 3.548 5.848 ( -8.721 0.000 -10.557) 13.693 5.895 ( 15.627 0.000 8.476) 17.778 5.987 ( -4.676 0.000 -14.535) 15.268 6.261 ( 6.097 0.000 -1.690) 6.327 6.322 ( 2.566 0.000 1.052) 2.773 6.550 ( 7.967 0.000 0.401) 7.977 6.569 ( 5.044 0.000 2.543) 5.649 6.791 ( -2.468 0.000 -2.466) 3.489 6.871 ( 8.656 0.000 -5.296) 10.148 6.968 ( 11.726 0.000 2.841) 12.065 7.083 ( 8.878 0.000 4.222) 9.830 7.122 ( 7.582 0.000 7.229) 10.476 7.316 ( 5.184 0.000 6.872) 8.608 7.342 ( 5.297 0.000 -5.433) 7.588 7.602 ( -17.135 0.000 -10.913) 20.315 7.715 ( 1.744 0.000 1.303) 2.177 7.916 ( -5.379 0.000 1.687) 5.637 7.961 ( -16.809 0.000 7.183) 18.279 8.387 ( -4.254 0.000 -1.967) 4.687 8.429 ( -5.020 0.000 -1.146) 5.149 8.562 ( -5.356 0.000 6.199) 8.192 8.652 ( -6.136 0.000 -6.326) 8.813 8.759 ( -8.825 0.000 -1.186) 8.905 8.978 ( -1.693 0.000 4.856) 5.142 9.342 ( -3.028 0.000 5.167) 5.989 9.480 ( -8.216 0.000 8.406) 11.755 9.514 ( -7.849 0.000 -1.454) 7.983 9.733 ( 4.537 0.000 -13.713) 14.444 9.881 ( 1.837 0.000 0.117) 1.841 9.941 ( 7.045 0.000 -10.327) 12.502 10.274 ( 8.582 0.000 -5.472) 10.178 10.384 ( -1.832 0.000 4.823) 5.159 10.530 ( -11.444 0.000 3.480) 11.961 10.829 ( -6.149 0.000 13.539) 14.870 11.048 ( 4.395 0.000 -3.762) 5.785 11.097 ( -0.946 0.000 -4.961) 5.050 11.200 ( -8.622 0.000 6.844) 11.008 11.555 ( 1.012 0.000 7.283) 7.353 11.606 ( -5.381 0.000 0.346) 5.392 11.653 ( -2.048 0.000 0.551) 2.121 11.690 ( -13.594 0.000 1.450) 13.671 11.984 ( -14.063 0.000 -3.254) 14.435 12.087 ( 3.160 0.000 -0.380) 3.182 12.199 ( 1.959 0.000 0.835) 2.130 12.423 ( -0.196 0.000 9.282) 9.284 12.460 ( 4.287 0.000 -2.322) 4.875 12.690 ( 5.765 0.000 -1.136) 5.876 12.711 ( 3.771 0.000 -4.595) 5.944 12.844 ( 18.062 0.000 1.272) 18.107 13.106 ( 3.681 0.000 -0.199) 3.687 13.295 ( 12.956 0.000 0.459) 12.965 13.696 ( 22.580 0.000 -9.834) 24.628 13.875 ( -2.279 0.000 -4.338) 4.901 14.152 ( 9.099 0.000 4.985) 10.375 14.400 ( 3.523 0.000 3.518) 4.979 14.442 ( 6.438 0.000 -6.067) 8.846 14.580 ( 10.756 0.000 -6.867) 12.761 14.780 ( -2.793 0.000 -14.884) 15.144 15.525 ( -10.406 0.000 -4.682) 11.411 15.816 ( -0.245 0.000 6.050) 6.055 17.171 ( -19.943 0.000 -7.121) 21.176 17.920 ( 2.694 0.000 0.655) 2.773 18.004 ( -1.589 0.000 20.552) 20.613 18.286 ( 3.752 0.000 -4.314) 5.717 18.592 ( -12.795 0.000 12.228) 17.698 19.426 ( -1.358 0.000 -0.254) 1.382 19.584 ( -14.921 0.000 -8.521) 17.182 20.680 ( 19.458 0.000 -10.891) 22.299 21.070 ( -10.295 0.000 -1.518) 10.406 21.583 ( 16.370 0.000 -0.452) 16.377 21.903 ( -2.888 0.000 1.762) 3.384 21.966 ( 7.168 0.000 -0.480) 7.184 22.001 ( -3.086 0.000 9.025) 9.538 22.233 ( -9.987 0.000 2.138) 10.213 22.387 ( 1.675 0.000 1.514) 2.259 22.724 ( -1.020 0.000 -4.351) 4.469 22.926 ( 0.793 0.000 -1.317) 1.538 23.073 ( 3.221 0.000 3.156) 4.509 28.422 ( 5.070 0.000 -0.155) 5.072 28.438 ( 5.572 0.000 -1.622) 5.803 28.735 ( 5.200 0.000 -1.656) 5.458 28.849 ( 11.884 0.000 4.313) 12.642 29.425 ( -3.528 0.000 5.777) 6.769 30.007 ( -1.402 0.000 -2.361) 2.746 30.225 ( -7.583 0.000 2.954) 8.138 30.432 ( -10.640 0.000 -8.388) 13.549 30.630 ( 0.236 0.000 0.681) 0.721 30.700 ( -2.127 0.000 -0.837) 2.285 30.946 ( 11.401 0.000 2.994) 11.787 31.199 ( -2.229 0.000 -1.100) 2.485 31.247 ( -0.521 0.000 -4.495) 4.525 31.278 ( -3.418 0.000 5.067) 6.112 31.693 ( -6.676 0.000 4.420) 8.006 31.742 ( 6.651 0.000 -7.973) 10.383 32.023 ( 4.047 0.000 -1.475) 4.308 32.177 ( -0.374 0.000 -2.538) 2.565 32.478 ( -1.765 0.000 5.701) 5.968 32.543 ( -2.716 0.000 4.053) 4.879 32.667 ( -5.105 0.000 -0.282) 5.113 33.043 ( 0.558 0.000 3.156) 3.205 33.200 ( 4.197 0.000 -1.283) 4.388 33.273 ( 6.196 0.000 -2.368) 6.633 33.640 ( -2.015 0.000 -2.063) 2.883 33.817 ( -8.981 0.000 -2.718) 9.383 33.860 ( -2.821 0.000 5.772) 6.424 34.603 ( 5.010 0.000 -6.358) 8.095 ======================= Grid point 48 (19/78) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.030 0.000 6.754) 6.754 1.705 ( 0.063 0.000 10.651) 10.651 2.051 ( -10.192 0.000 4.079) 10.978 2.119 ( -12.272 0.000 14.171) 18.746 2.295 ( 3.710 0.000 0.696) 3.775 2.360 ( 6.244 0.000 -1.850) 6.513 2.527 ( 3.392 0.000 -1.831) 3.854 2.680 ( 2.875 0.000 -6.900) 7.475 2.716 ( 2.367 0.000 5.584) 6.065 2.723 ( -5.991 0.000 -0.866) 6.053 2.792 ( -2.278 0.000 -4.208) 4.785 2.845 ( -3.636 0.000 -0.258) 3.645 3.009 ( 4.446 0.000 -1.560) 4.712 3.016 ( 1.962 0.000 -4.372) 4.792 3.107 ( -3.031 0.000 0.723) 3.116 3.133 ( 1.498 0.000 1.012) 1.808 3.196 ( 2.603 0.000 1.159) 2.850 3.281 ( -2.827 0.000 9.296) 9.717 3.412 ( 2.995 0.000 1.613) 3.402 3.602 ( 4.143 0.000 1.115) 4.291 3.802 ( 9.005 0.000 5.607) 10.608 3.974 ( 18.766 0.000 5.546) 19.568 4.029 ( 7.801 0.000 8.548) 11.572 4.232 ( 4.841 0.000 4.772) 6.797 4.268 ( 1.334 0.000 4.287) 4.490 4.407 ( 1.763 0.000 -2.661) 3.192 4.409 ( 0.573 0.000 -7.228) 7.251 4.448 ( -2.290 0.000 -1.689) 2.845 4.531 ( 2.412 0.000 -3.816) 4.514 4.752 ( 10.739 0.000 -1.667) 10.867 4.867 ( -19.105 0.000 -2.943) 19.331 4.889 ( 11.061 0.000 -17.672) 20.848 5.093 ( 18.927 0.000 5.731) 19.776 5.178 ( -1.541 0.000 6.267) 6.454 5.242 ( -0.891 0.000 -10.795) 10.832 5.338 ( 0.237 0.000 3.084) 3.093 5.531 ( -6.120 0.000 -12.676) 14.077 5.598 ( 2.847 0.000 11.272) 11.626 5.758 ( 3.056 0.000 7.274) 7.890 5.921 ( 6.678 0.000 -2.936) 7.295 6.112 ( -4.375 0.000 2.638) 5.109 6.333 ( 0.232 0.000 0.535) 0.583 6.463 ( 12.640 0.000 2.197) 12.829 6.541 ( -6.275 0.000 -7.603) 9.859 6.723 ( 6.554 0.000 3.863) 7.608 6.821 ( 8.119 0.000 -0.458) 8.132 6.894 ( -6.470 0.000 -4.606) 7.942 6.978 ( 7.071 0.000 -3.364) 7.831 7.163 ( -12.800 0.000 -6.525) 14.368 7.221 ( 1.375 0.000 5.998) 6.154 7.237 ( -4.916 0.000 1.321) 5.091 7.429 ( 10.933 0.000 -5.441) 12.212 7.653 ( 7.879 0.000 8.990) 11.954 7.686 ( -6.117 0.000 -3.132) 6.873 7.739 ( -15.763 0.000 8.003) 17.678 7.842 ( -0.978 0.000 2.389) 2.581 8.198 ( -10.571 0.000 -9.779) 14.401 8.367 ( 0.178 0.000 0.227) 0.289 8.450 ( -7.769 0.000 -7.411) 10.737 8.457 ( -6.530 0.000 3.292) 7.313 8.752 ( 1.044 0.000 9.985) 10.039 9.006 ( 0.375 0.000 4.127) 4.144 9.222 ( -14.510 0.000 1.480) 14.585 9.411 ( -10.403 0.000 7.594) 12.880 9.423 ( 1.485 0.000 -6.214) 6.389 9.688 ( 7.025 0.000 -12.570) 14.400 9.861 ( -0.508 0.000 -2.582) 2.631 9.967 ( 8.475 0.000 -11.963) 14.661 10.349 ( 1.930 0.000 -4.432) 4.834 10.400 ( 0.922 0.000 1.062) 1.406 10.566 ( 8.717 0.000 9.264) 12.720 10.850 ( -8.293 0.000 15.172) 17.291 10.998 ( -3.455 0.000 -4.875) 5.975 11.085 ( 1.381 0.000 1.600) 2.113 11.147 ( -4.701 0.000 5.845) 7.500 11.403 ( -12.748 0.000 1.452) 12.831 11.567 ( -3.778 0.000 0.213) 3.784 11.617 ( -4.235 0.000 1.240) 4.413 11.689 ( 3.949 0.000 1.342) 4.170 11.772 ( -7.311 0.000 1.485) 7.461 12.074 ( -6.002 0.000 2.923) 6.676 12.207 ( 1.426 0.000 -1.887) 2.366 12.387 ( -2.800 0.000 -3.441) 4.436 12.602 ( 9.085 0.000 2.618) 9.455 12.744 ( 1.953 0.000 0.274) 1.972 12.876 ( 10.807 0.000 -0.402) 10.814 13.138 ( -0.508 0.000 0.552) 0.750 13.142 ( 9.657 0.000 4.509) 10.658 13.546 ( 16.199 0.000 1.165) 16.241 13.803 ( -2.744 0.000 -0.428) 2.777 13.958 ( 17.071 0.000 -7.129) 18.499 14.300 ( 3.754 0.000 -2.201) 4.352 14.433 ( -2.278 0.000 -12.249) 12.459 14.539 ( 7.341 0.000 7.022) 10.159 14.599 ( 2.125 0.000 -4.619) 5.085 14.617 ( 1.203 0.000 -3.916) 4.097 15.396 ( -2.337 0.000 -1.103) 2.584 15.839 ( -2.676 0.000 2.239) 3.489 16.834 ( -10.769 0.000 -3.989) 11.484 17.860 ( -4.845 0.000 -8.625) 9.892 18.089 ( -4.818 0.000 9.944) 11.050 18.343 ( 6.677 0.000 -3.270) 7.434 18.562 ( -10.967 0.000 18.041) 21.113 19.289 ( -8.909 0.000 -6.919) 11.280 19.438 ( 3.214 0.000 1.357) 3.488 20.855 ( 14.482 0.000 -13.368) 19.709 20.900 ( -8.450 0.000 1.759) 8.631 21.771 ( 4.857 0.000 -2.906) 5.660 21.900 ( 3.774 0.000 0.454) 3.801 22.006 ( -8.137 0.000 11.201) 13.845 22.056 ( 4.053 0.000 -1.381) 4.282 22.125 ( -4.664 0.000 1.034) 4.778 22.426 ( 1.168 0.000 0.153) 1.178 22.688 ( 1.704 0.000 -3.539) 3.928 22.929 ( 0.989 0.000 -1.263) 1.604 23.123 ( 0.670 0.000 -0.337) 0.750 28.509 ( 4.033 0.000 0.790) 4.110 28.518 ( 4.863 0.000 -0.758) 4.922 28.787 ( 1.035 0.000 2.100) 2.341 29.059 ( 5.893 0.000 3.872) 7.051 29.416 ( -2.940 0.000 3.592) 4.642 29.976 ( 0.208 0.000 -4.308) 4.313 30.145 ( -5.287 0.000 4.183) 6.742 30.222 ( -4.699 0.000 -1.340) 4.886 30.640 ( -0.000 0.000 0.341) 0.341 30.684 ( -0.433 0.000 1.539) 1.599 31.140 ( -0.862 0.000 -0.362) 0.935 31.153 ( -2.194 0.000 -5.781) 6.183 31.180 ( 8.368 0.000 3.748) 9.169 31.289 ( -2.163 0.000 4.998) 5.445 31.597 ( -8.014 0.000 2.504) 8.396 31.772 ( 4.450 0.000 -4.081) 6.038 32.067 ( 2.557 0.000 -1.331) 2.882 32.187 ( 4.965 0.000 -4.209) 6.509 32.476 ( -3.042 0.000 1.518) 3.400 32.503 ( -5.499 0.000 1.840) 5.799 32.603 ( -2.589 0.000 1.948) 3.239 33.072 ( -0.747 0.000 2.630) 2.734 33.269 ( 4.494 0.000 -1.608) 4.773 33.350 ( 5.273 0.000 -2.770) 5.956 33.603 ( 0.027 0.000 -1.899) 1.899 33.662 ( -5.141 0.000 -2.796) 5.852 33.850 ( -3.867 0.000 4.206) 5.713 34.616 ( 3.641 0.000 -5.907) 6.939 ======================= Grid point 49 (20/78) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -2.499 0.000 3.224) 4.080 1.773 ( 0.133 0.000 1.396) 1.403 1.977 ( -3.138 0.000 5.206) 6.078 2.011 ( -17.155 0.000 17.298) 24.362 2.286 ( -4.149 0.000 -16.036) 16.564 2.322 ( -2.693 0.000 -0.286) 2.709 2.417 ( -6.147 0.000 -2.838) 6.770 2.552 ( -5.747 0.000 -9.327) 10.955 2.628 ( -0.278 0.000 -7.187) 7.193 2.673 ( 4.725 0.000 7.833) 9.148 2.878 ( 0.266 0.000 -9.867) 9.871 2.912 ( 5.696 0.000 -3.075) 6.473 3.007 ( -0.728 0.000 0.841) 1.112 3.067 ( 3.371 0.000 3.989) 5.223 3.086 ( -4.282 0.000 5.243) 6.770 3.144 ( -0.290 0.000 1.439) 1.468 3.298 ( -4.638 0.000 5.225) 6.987 3.361 ( 6.066 0.000 14.730) 15.930 3.481 ( -0.288 0.000 4.658) 4.666 3.615 ( -3.325 0.000 -5.068) 6.061 3.835 ( -3.970 0.000 4.503) 6.003 4.039 ( -5.727 0.000 -4.337) 7.184 4.165 ( -0.328 0.000 -3.951) 3.964 4.225 ( -8.619 0.000 3.235) 9.206 4.343 ( -0.129 0.000 6.442) 6.444 4.362 ( 16.162 0.000 8.358) 18.195 4.515 ( -0.241 0.000 0.907) 0.938 4.610 ( 8.433 0.000 0.571) 8.453 4.644 ( -3.698 0.000 2.393) 4.404 4.755 ( 13.537 0.000 14.699) 19.982 4.755 ( 2.557 0.000 -15.951) 16.154 4.863 ( -0.768 0.000 -2.216) 2.345 5.152 ( -5.061 0.000 -0.267) 5.068 5.198 ( -1.998 0.000 -4.674) 5.083 5.295 ( 0.776 0.000 -10.371) 10.400 5.412 ( -0.046 0.000 5.388) 5.389 5.626 ( 16.786 0.000 4.769) 17.450 5.680 ( -4.370 0.000 -3.455) 5.571 5.718 ( -9.577 0.000 6.736) 11.708 5.983 ( -3.817 0.000 -1.576) 4.130 6.094 ( 9.284 0.000 5.449) 10.765 6.207 ( -5.147 0.000 -3.944) 6.485 6.456 ( 5.019 0.000 -1.964) 5.390 6.588 ( -4.868 0.000 -0.713) 4.920 6.735 ( 0.209 0.000 1.108) 1.127 6.883 ( 3.114 0.000 0.771) 3.208 6.978 ( 8.434 0.000 -4.561) 9.588 6.995 ( -1.457 0.000 -1.681) 2.225 7.102 ( 4.320 0.000 3.565) 5.601 7.190 ( 3.053 0.000 0.195) 3.059 7.274 ( -2.884 0.000 3.474) 4.515 7.343 ( -14.971 0.000 -12.930) 19.781 7.527 ( -0.009 0.000 0.601) 0.601 7.597 ( -14.017 0.000 -4.421) 14.697 7.672 ( 2.809 0.000 1.075) 3.007 7.932 ( 2.555 0.000 8.316) 8.700 8.053 ( 5.098 0.000 -6.834) 8.526 8.296 ( 0.991 0.000 -7.084) 7.153 8.449 ( -1.455 0.000 7.217) 7.362 8.504 ( 8.781 0.000 5.937) 10.600 8.883 ( -0.254 0.000 10.994) 10.997 8.941 ( -9.367 0.000 -2.659) 9.737 9.131 ( 2.321 0.000 4.022) 4.644 9.292 ( -7.202 0.000 1.919) 7.454 9.356 ( 1.234 0.000 -9.140) 9.223 9.700 ( 7.179 0.000 -10.760) 12.935 9.827 ( 0.462 0.000 -4.797) 4.819 9.981 ( 6.711 0.000 -11.820) 13.592 10.369 ( 1.780 0.000 1.266) 2.184 10.436 ( 1.360 0.000 0.846) 1.602 10.790 ( 4.052 0.000 8.455) 9.375 10.807 ( -11.572 0.000 8.895) 14.596 10.972 ( 3.701 0.000 2.849) 4.671 11.083 ( -11.514 0.000 8.409) 14.258 11.187 ( 7.846 0.000 2.333) 8.186 11.291 ( -3.183 0.000 7.312) 7.975 11.495 ( -1.697 0.000 -3.241) 3.658 11.537 ( -2.067 0.000 -2.776) 3.461 11.738 ( 0.044 0.000 -1.488) 1.489 11.780 ( 2.248 0.000 5.967) 6.377 12.001 ( -4.245 0.000 3.624) 5.581 12.203 ( 0.821 0.000 -3.944) 4.029 12.360 ( 3.044 0.000 -1.824) 3.548 12.683 ( -2.916 0.000 -3.069) 4.233 12.717 ( -2.443 0.000 -1.350) 2.791 12.988 ( 0.789 0.000 -0.006) 0.789 13.110 ( -1.526 0.000 0.030) 1.526 13.259 ( -0.140 0.000 4.695) 4.697 13.681 ( -7.766 0.000 -1.508) 7.911 13.831 ( 3.480 0.000 6.008) 6.943 14.090 ( 4.219 0.000 -5.528) 6.954 14.241 ( -2.999 0.000 -9.382) 9.850 14.413 ( 18.664 0.000 -4.678) 19.241 14.566 ( -3.455 0.000 3.167) 4.687 14.671 ( 3.236 0.000 3.011) 4.421 14.770 ( 7.260 0.000 6.706) 9.883 15.387 ( 1.375 0.000 0.106) 1.379 15.754 ( -5.037 0.000 -5.097) 7.166 16.766 ( 4.967 0.000 1.484) 5.184 17.621 ( -6.414 0.000 -17.925) 19.038 18.064 ( -6.432 0.000 5.027) 8.163 18.409 ( 2.901 0.000 -1.879) 3.457 18.541 ( -8.979 0.000 13.281) 16.032 19.188 ( 5.288 0.000 -4.782) 7.129 19.548 ( 2.541 0.000 7.680) 8.089 20.854 ( 0.004 0.000 4.992) 4.992 20.890 ( 6.659 0.000 -16.545) 17.835 21.760 ( 2.280 0.000 -5.560) 6.009 21.944 ( -5.426 0.000 6.341) 8.345 22.018 ( -2.021 0.000 0.409) 2.062 22.060 ( -2.632 0.000 6.249) 6.780 22.080 ( 0.916 0.000 -1.890) 2.100 22.416 ( -1.579 0.000 -1.922) 2.487 22.700 ( 2.811 0.000 -2.332) 3.652 22.934 ( 1.058 0.000 -1.043) 1.485 23.087 ( -2.256 0.000 -3.970) 4.566 28.556 ( -0.168 0.000 1.409) 1.419 28.581 ( 1.953 0.000 0.790) 2.107 28.832 ( 0.193 0.000 5.819) 5.822 29.096 ( -4.093 0.000 0.403) 4.112 29.398 ( -2.373 0.000 1.806) 2.982 29.895 ( 0.350 0.000 -7.637) 7.645 30.140 ( -1.117 0.000 5.926) 6.030 30.308 ( 6.687 0.000 9.484) 11.605 30.630 ( -0.793 0.000 -0.828) 1.146 30.709 ( 0.334 0.000 3.181) 3.198 31.072 ( 0.230 0.000 -6.353) 6.357 31.093 ( -0.743 0.000 -3.471) 3.549 31.319 ( 0.159 0.000 4.857) 4.859 31.331 ( -1.993 0.000 6.908) 7.190 31.520 ( -0.124 0.000 2.522) 2.525 31.843 ( 5.505 0.000 2.046) 5.873 32.081 ( 0.450 0.000 -1.144) 1.229 32.229 ( 5.346 0.000 -7.179) 8.951 32.394 ( -7.306 0.000 -0.575) 7.328 32.403 ( -3.436 0.000 -4.343) 5.538 32.630 ( 0.633 0.000 6.246) 6.278 33.065 ( -2.180 0.000 0.838) 2.335 33.282 ( -0.429 0.000 -3.342) 3.369 33.379 ( 1.312 0.000 -3.574) 3.808 33.598 ( 1.467 0.000 -1.804) 2.325 33.610 ( 1.863 0.000 -1.837) 2.616 33.830 ( -2.774 0.000 4.285) 5.105 34.607 ( 2.693 0.000 -6.817) 7.329 ======================= Grid point 50 (21/78) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -18.374 0.000 5.471) 19.172 1.669 ( -16.069 0.000 -0.421) 16.075 1.855 ( -15.060 0.000 10.367) 18.284 2.086 ( 6.447 0.000 2.284) 6.840 2.110 ( 5.134 0.000 -8.856) 10.236 2.265 ( -0.981 0.000 0.016) 0.982 2.393 ( 1.408 0.000 4.438) 4.656 2.401 ( -8.437 0.000 -2.534) 8.809 2.612 ( 5.205 0.000 -4.776) 7.064 2.645 ( -7.877 0.000 -12.673) 14.922 2.834 ( 3.488 0.000 5.862) 6.821 2.906 ( 1.779 0.000 -9.854) 10.013 2.991 ( 0.848 0.000 -4.641) 4.718 3.064 ( -5.350 0.000 6.906) 8.736 3.150 ( -0.957 0.000 5.646) 5.726 3.170 ( 2.277 0.000 1.752) 2.873 3.226 ( -8.810 0.000 4.120) 9.726 3.369 ( -6.198 0.000 1.646) 6.413 3.529 ( -2.491 0.000 5.190) 5.757 3.616 ( 1.576 0.000 4.332) 4.610 3.906 ( 1.492 0.000 9.249) 9.368 3.968 ( -0.242 0.000 8.939) 8.943 4.186 ( -9.727 0.000 -0.332) 9.732 4.187 ( -10.488 0.000 14.755) 18.103 4.395 ( -1.662 0.000 0.762) 1.829 4.398 ( -13.359 0.000 -5.970) 14.632 4.468 ( 0.263 0.000 6.586) 6.591 4.538 ( -0.616 0.000 -13.255) 13.269 4.672 ( -21.131 0.000 -8.680) 22.845 4.737 ( -5.751 0.000 -3.513) 6.739 4.749 ( 4.317 0.000 -5.697) 7.148 4.838 ( 8.036 0.000 -1.486) 8.172 5.031 ( 8.918 0.000 12.839) 15.632 5.075 ( -1.956 0.000 -7.534) 7.784 5.371 ( 5.878 0.000 0.851) 5.940 5.429 ( -2.552 0.000 5.963) 6.486 5.626 ( 0.680 0.000 5.212) 5.256 5.725 ( -2.708 0.000 -4.802) 5.513 5.876 ( 5.285 0.000 0.998) 5.378 5.886 ( -1.419 0.000 9.037) 9.148 6.225 ( 5.618 0.000 2.235) 6.046 6.329 ( 9.227 0.000 4.973) 10.482 6.393 ( -10.136 0.000 -3.013) 10.575 6.565 ( -4.215 0.000 -8.936) 9.880 6.620 ( -11.669 0.000 -1.964) 11.834 6.749 ( -3.383 0.000 0.819) 3.481 6.998 ( -5.917 0.000 -7.208) 9.326 6.999 ( 2.968 0.000 -0.937) 3.113 7.054 ( -9.881 0.000 -5.010) 11.078 7.135 ( -5.577 0.000 -5.890) 8.111 7.279 ( -0.821 0.000 2.687) 2.810 7.396 ( 15.560 0.000 -5.671) 16.562 7.438 ( 18.083 0.000 1.909) 18.184 7.481 ( -4.002 0.000 2.856) 4.917 7.755 ( 2.269 0.000 2.432) 3.326 8.028 ( -5.577 0.000 7.477) 9.328 8.173 ( 11.984 0.000 -1.457) 12.072 8.385 ( 16.546 0.000 -3.478) 16.907 8.528 ( 1.859 0.000 6.518) 6.778 8.680 ( 3.879 0.000 4.918) 6.263 8.810 ( -3.457 0.000 -1.415) 3.735 8.915 ( -5.593 0.000 4.864) 7.412 9.163 ( 0.243 0.000 -0.817) 0.852 9.248 ( 1.678 0.000 -0.919) 1.913 9.396 ( 9.480 0.000 -2.040) 9.697 9.726 ( 7.762 0.000 -8.590) 11.578 9.759 ( -1.114 0.000 -8.145) 8.221 9.952 ( 5.006 0.000 -13.981) 14.850 10.404 ( 0.431 0.000 2.802) 2.835 10.432 ( -2.202 0.000 -0.700) 2.311 10.670 ( -12.658 0.000 6.947) 14.439 10.894 ( -3.663 0.000 13.104) 13.607 10.973 ( -5.689 0.000 2.725) 6.308 11.172 ( 11.571 0.000 8.818) 14.548 11.239 ( -1.789 0.000 1.199) 2.153 11.452 ( 0.255 0.000 -3.804) 3.813 11.500 ( 2.438 0.000 4.323) 4.963 11.551 ( 12.922 0.000 8.336) 15.378 11.639 ( -7.755 0.000 -1.470) 7.893 11.938 ( 8.467 0.000 5.741) 10.230 12.017 ( 2.473 0.000 -0.233) 2.484 12.168 ( 0.465 0.000 -4.399) 4.424 12.450 ( 8.396 0.000 -0.687) 8.424 12.462 ( -15.107 0.000 -0.763) 15.126 12.661 ( -1.111 0.000 -7.438) 7.521 12.883 ( -12.192 0.000 2.277) 12.403 13.115 ( 0.952 0.000 -0.855) 1.279 13.250 ( -7.838 0.000 6.955) 10.479 13.440 ( -14.265 0.000 -2.770) 14.532 13.949 ( 4.474 0.000 5.274) 6.916 13.992 ( -8.025 0.000 -5.619) 9.796 14.045 ( -6.438 0.000 -10.579) 12.384 14.539 ( -5.944 0.000 4.640) 7.541 14.686 ( -1.630 0.000 3.466) 3.831 14.848 ( 19.732 0.000 2.612) 19.904 14.868 ( -1.498 0.000 0.328) 1.534 15.469 ( 8.859 0.000 3.188) 9.415 15.615 ( -1.303 0.000 -8.152) 8.256 17.019 ( 18.218 0.000 6.479) 19.336 17.303 ( -5.405 0.000 -23.039) 23.665 17.983 ( -7.593 0.000 3.149) 8.220 18.413 ( -0.440 0.000 0.642) 0.779 18.555 ( -2.164 0.000 9.564) 9.805 19.365 ( 18.461 0.000 -3.473) 18.785 19.632 ( -3.957 0.000 10.127) 10.873 20.754 ( -0.759 0.000 -19.304) 19.319 20.997 ( 8.261 0.000 7.419) 11.104 21.751 ( 2.334 0.000 -10.418) 10.676 21.853 ( -9.367 0.000 0.487) 9.379 21.921 ( -6.142 0.000 7.679) 9.833 22.054 ( -2.185 0.000 -1.367) 2.577 22.161 ( 1.988 0.000 8.040) 8.283 22.333 ( -3.516 0.000 -4.414) 5.644 22.737 ( 3.485 0.000 -1.336) 3.732 22.947 ( 1.156 0.000 -0.034) 1.156 22.971 ( -4.824 0.000 -6.474) 8.074 28.530 ( -4.242 0.000 1.267) 4.427 28.586 ( -2.976 0.000 1.646) 3.401 28.927 ( 1.784 0.000 10.000) 10.158 28.953 ( -10.397 0.000 -1.844) 10.559 29.372 ( -1.977 0.000 0.733) 2.108 29.889 ( 5.866 0.000 -4.674) 7.501 30.224 ( 2.713 0.000 7.483) 7.960 30.552 ( 8.465 0.000 9.560) 12.769 30.606 ( -0.119 0.000 -0.480) 0.495 30.744 ( -0.053 0.000 1.870) 1.871 31.032 ( 2.529 0.000 -6.674) 7.137 31.053 ( 0.514 0.000 -3.241) 3.282 31.282 ( -6.256 0.000 5.328) 8.217 31.389 ( 1.539 0.000 5.431) 5.645 31.634 ( 3.446 0.000 7.910) 8.628 31.999 ( 5.818 0.000 7.402) 9.415 32.056 ( -1.788 0.000 -2.392) 2.986 32.161 ( -4.020 0.000 -8.252) 9.180 32.285 ( -2.673 0.000 -6.951) 7.447 32.303 ( 0.994 0.000 -5.132) 5.227 32.728 ( 1.435 0.000 8.335) 8.457 33.016 ( -2.806 0.000 -1.653) 3.256 33.220 ( -1.871 0.000 -3.020) 3.552 33.323 ( -2.708 0.000 -3.888) 4.738 33.616 ( 3.272 0.000 -2.751) 4.274 33.643 ( 4.125 0.000 -4.712) 6.263 33.844 ( -2.445 0.000 6.528) 6.971 34.571 ( 2.455 0.000 -8.723) 9.062 ======================= Grid point 51 (22/78) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -26.748 0.000 10.425) 28.708 1.250 ( -32.225 0.000 5.837) 32.749 1.744 ( -4.750 0.000 -0.201) 4.754 2.036 ( -36.994 0.000 5.260) 37.366 2.222 ( 10.929 0.000 4.489) 11.815 2.257 ( 6.524 0.000 -4.491) 7.920 2.287 ( 0.773 0.000 0.685) 1.033 2.373 ( -2.320 0.000 -4.547) 5.105 2.555 ( 6.212 0.000 4.317) 7.565 2.650 ( 1.950 0.000 -0.181) 1.959 2.786 ( -7.458 0.000 -7.446) 10.539 2.939 ( 1.410 0.000 5.953) 6.118 2.954 ( 1.077 0.000 -3.755) 3.906 3.035 ( -5.444 0.000 5.547) 7.772 3.127 ( -8.835 0.000 6.214) 10.801 3.180 ( 4.067 0.000 2.090) 4.572 3.230 ( -4.040 0.000 6.929) 8.021 3.416 ( 5.505 0.000 2.289) 5.962 3.443 ( -6.165 0.000 -0.611) 6.195 3.571 ( -12.058 0.000 -0.931) 12.094 3.789 ( -20.100 0.000 -5.261) 20.777 3.901 ( -15.104 0.000 6.174) 16.317 4.036 ( -6.698 0.000 -6.160) 9.100 4.105 ( -7.576 0.000 3.909) 8.525 4.163 ( 7.221 0.000 9.851) 12.214 4.355 ( 1.462 0.000 -3.484) 3.779 4.412 ( -10.421 0.000 6.366) 12.212 4.544 ( 8.144 0.000 -3.207) 8.753 4.645 ( 5.043 0.000 4.644) 6.856 4.724 ( 4.901 0.000 -6.558) 8.188 4.845 ( 10.765 0.000 2.213) 10.990 4.855 ( 1.370 0.000 -1.290) 1.882 5.010 ( 1.287 0.000 -1.713) 2.143 5.070 ( -15.262 0.000 -1.436) 15.330 5.379 ( -0.793 0.000 -1.597) 1.783 5.539 ( 6.428 0.000 7.142) 9.609 5.609 ( 1.972 0.000 -5.047) 5.418 5.859 ( 12.177 0.000 8.396) 14.791 5.871 ( -1.148 0.000 -6.032) 6.141 5.997 ( -5.537 0.000 5.178) 7.581 6.193 ( -12.618 0.000 -10.077) 16.148 6.285 ( -4.687 0.000 -6.220) 7.788 6.343 ( -5.884 0.000 1.742) 6.136 6.385 ( 10.034 0.000 2.330) 10.301 6.468 ( 4.082 0.000 1.227) 4.262 6.623 ( -20.386 0.000 -2.864) 20.586 6.855 ( 1.527 0.000 0.329) 1.562 6.888 ( -1.193 0.000 -1.053) 1.591 6.931 ( -4.910 0.000 -9.102) 10.341 7.063 ( -4.351 0.000 0.791) 4.422 7.370 ( -3.084 0.000 3.899) 4.971 7.436 ( -6.007 0.000 -4.916) 7.762 7.612 ( 12.919 0.000 8.924) 15.702 7.762 ( 10.227 0.000 -1.947) 10.411 7.842 ( 4.883 0.000 2.919) 5.689 8.010 ( 4.615 0.000 7.133) 8.496 8.400 ( 11.770 0.000 3.459) 12.268 8.602 ( -0.758 0.000 4.907) 4.965 8.628 ( 2.647 0.000 5.158) 5.798 8.731 ( 5.817 0.000 -6.277) 8.558 8.800 ( 6.250 0.000 -2.744) 6.826 8.814 ( -4.902 0.000 -4.829) 6.881 9.220 ( 2.340 0.000 7.515) 7.871 9.301 ( 4.870 0.000 -1.386) 5.063 9.508 ( 2.722 0.000 -3.294) 4.274 9.666 ( 3.367 0.000 -7.699) 8.403 9.797 ( 8.186 0.000 -5.598) 9.917 9.869 ( 2.997 0.000 -14.898) 15.196 10.350 ( -5.434 0.000 -2.900) 6.159 10.485 ( 4.171 0.000 6.029) 7.331 10.564 ( -6.947 0.000 8.735) 11.160 10.915 ( -4.134 0.000 11.083) 11.828 10.967 ( -0.007 0.000 -0.945) 0.945 11.222 ( -0.776 0.000 2.233) 2.364 11.353 ( -6.702 0.000 2.820) 7.271 11.471 ( 5.812 0.000 1.172) 5.929 11.543 ( -0.320 0.000 5.666) 5.675 11.607 ( 8.634 0.000 5.657) 10.322 11.940 ( 17.152 0.000 9.176) 19.452 12.034 ( 1.681 0.000 -4.007) 4.346 12.129 ( 0.396 0.000 -4.986) 5.001 12.150 ( 8.508 0.000 3.569) 9.227 12.244 ( -9.920 0.000 2.744) 10.293 12.516 ( -7.120 0.000 -8.391) 11.005 12.586 ( 0.291 0.000 2.389) 2.406 12.687 ( -7.048 0.000 2.739) 7.562 13.101 ( -1.643 0.000 -0.435) 1.700 13.138 ( -11.329 0.000 6.623) 13.123 13.192 ( -10.921 0.000 -2.990) 11.322 13.719 ( -13.061 0.000 -12.483) 18.067 13.861 ( -4.791 0.000 -4.817) 6.794 14.078 ( 3.736 0.000 4.488) 5.840 14.414 ( -10.402 0.000 -2.290) 10.651 14.611 ( -7.401 0.000 0.038) 7.401 14.726 ( -7.810 0.000 -10.227) 12.868 15.036 ( 2.979 0.000 -3.663) 4.722 15.575 ( 3.605 0.000 -4.875) 6.063 15.840 ( 23.779 0.000 9.648) 25.661 17.001 ( -3.341 0.000 -20.245) 20.519 17.457 ( 21.486 0.000 8.127) 22.971 17.879 ( -7.360 0.000 2.778) 7.867 18.443 ( 1.833 0.000 3.465) 3.920 18.659 ( 2.621 0.000 9.083) 9.454 19.611 ( -9.446 0.000 9.141) 13.145 19.704 ( 23.194 0.000 -2.633) 23.343 20.506 ( -3.948 0.000 -19.674) 20.066 21.244 ( 10.420 0.000 7.444) 12.805 21.485 ( -12.989 0.000 -13.191) 18.513 21.840 ( -1.576 0.000 6.259) 6.455 21.907 ( -3.699 0.000 6.066) 7.105 21.947 ( -8.833 0.000 -1.888) 9.033 22.264 ( 1.486 0.000 -3.654) 3.944 22.287 ( 4.040 0.000 6.903) 7.998 22.775 ( 2.780 0.000 -2.542) 3.767 22.804 ( -6.782 0.000 -5.603) 8.798 22.979 ( 1.550 0.000 1.598) 2.227 28.451 ( -5.439 0.000 0.576) 5.469 28.514 ( -6.409 0.000 0.823) 6.462 28.744 ( -10.911 0.000 -1.298) 10.988 29.101 ( 3.677 0.000 15.422) 15.854 29.349 ( -1.336 0.000 0.445) 1.408 29.971 ( 7.326 0.000 -3.271) 8.023 30.363 ( 4.110 0.000 6.418) 7.621 30.587 ( 1.270 0.000 -1.983) 2.355 30.715 ( -2.500 0.000 -3.409) 4.227 30.806 ( 7.419 0.000 9.163) 11.789 31.023 ( 4.310 0.000 -6.199) 7.550 31.068 ( 4.034 0.000 -2.369) 4.678 31.285 ( -0.462 0.000 7.724) 7.738 31.454 ( -0.898 0.000 4.209) 4.304 31.745 ( -1.233 0.000 8.515) 8.603 31.914 ( -5.723 0.000 -14.585) 15.667 31.949 ( -7.861 0.000 -4.817) 9.219 32.200 ( 6.384 0.000 0.161) 6.386 32.260 ( 1.648 0.000 9.170) 9.317 32.291 ( 3.537 0.000 -1.549) 3.861 32.824 ( -0.409 0.000 8.114) 8.125 32.949 ( -1.915 0.000 -2.737) 3.340 33.177 ( -0.249 0.000 -1.799) 1.816 33.235 ( -2.235 0.000 -4.017) 4.597 33.600 ( -0.209 0.000 -13.916) 13.918 33.655 ( 3.908 0.000 -1.901) 4.345 33.860 ( -4.139 0.000 7.179) 8.287 34.524 ( 3.262 0.000 -9.883) 10.408 ======================= Grid point 52 (23/78) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -27.205 0.000 21.316) 34.561 0.717 ( -36.621 0.000 5.922) 37.096 1.296 ( -54.837 0.000 30.996) 62.991 1.690 ( -4.969 0.000 4.389) 6.629 2.123 ( -1.038 0.000 -6.412) 6.495 2.359 ( 0.950 0.000 -2.131) 2.333 2.375 ( 8.458 0.000 -0.079) 8.458 2.596 ( 7.183 0.000 6.095) 9.420 2.614 ( -0.403 0.000 -3.582) 3.605 2.724 ( -1.182 0.000 4.825) 4.968 2.750 ( 8.645 0.000 8.940) 12.437 2.853 ( -6.469 0.000 -6.752) 9.351 2.892 ( -15.225 0.000 2.891) 15.497 2.990 ( -5.627 0.000 3.806) 6.793 2.993 ( -3.939 0.000 3.299) 5.139 3.141 ( -10.007 0.000 -1.672) 10.146 3.279 ( -14.617 0.000 -4.160) 15.198 3.344 ( -6.681 0.000 -3.491) 7.538 3.413 ( 14.360 0.000 6.225) 15.651 3.519 ( 5.500 0.000 -5.765) 7.968 3.561 ( 3.318 0.000 -1.019) 3.471 3.676 ( -8.683 0.000 -3.171) 9.244 3.819 ( -5.848 0.000 -5.647) 8.129 4.043 ( -14.264 0.000 -0.621) 14.277 4.140 ( -9.716 0.000 -7.118) 12.044 4.444 ( 1.882 0.000 2.525) 3.149 4.450 ( 6.728 0.000 7.205) 9.858 4.638 ( -6.622 0.000 -1.179) 6.726 4.664 ( 4.511 0.000 -6.499) 7.911 4.772 ( 5.523 0.000 -0.360) 5.535 4.868 ( 6.993 0.000 9.488) 11.786 4.995 ( 5.102 0.000 -3.445) 6.156 5.083 ( 13.732 0.000 11.818) 18.117 5.193 ( 17.064 0.000 9.132) 19.354 5.331 ( -2.682 0.000 -4.732) 5.439 5.509 ( -7.372 0.000 -8.766) 11.454 5.654 ( -12.418 0.000 -8.824) 15.234 5.699 ( -0.189 0.000 2.951) 2.957 5.827 ( -8.145 0.000 -6.837) 10.634 5.967 ( 0.804 0.000 4.562) 4.632 6.072 ( 8.804 0.000 -8.399) 12.168 6.207 ( -9.238 0.000 4.154) 10.129 6.351 ( 7.776 0.000 0.527) 7.794 6.435 ( -0.232 0.000 -6.157) 6.161 6.585 ( 3.703 0.000 10.232) 10.881 6.684 ( 3.142 0.000 8.363) 8.934 6.744 ( 3.558 0.000 -9.438) 10.087 6.835 ( -5.791 0.000 2.724) 6.400 6.912 ( 0.372 0.000 2.505) 2.533 6.991 ( 1.768 0.000 -1.764) 2.497 7.180 ( -13.615 0.000 -4.639) 14.384 7.260 ( -9.043 0.000 4.590) 10.141 7.755 ( -0.280 0.000 -0.670) 0.726 7.842 ( 1.970 0.000 -5.441) 5.787 7.971 ( 4.267 0.000 11.957) 12.696 8.320 ( 12.804 0.000 6.189) 14.221 8.507 ( -6.006 0.000 -0.254) 6.011 8.534 ( 2.502 0.000 -2.420) 3.481 8.683 ( -2.945 0.000 0.153) 2.949 8.775 ( 6.973 0.000 0.592) 6.999 8.775 ( -2.510 0.000 3.478) 4.289 8.884 ( 10.323 0.000 -11.528) 15.475 9.319 ( -2.785 0.000 7.613) 8.106 9.381 ( 5.475 0.000 0.174) 5.478 9.473 ( 2.224 0.000 -4.019) 4.593 9.709 ( 3.856 0.000 -2.244) 4.461 9.775 ( 2.418 0.000 -6.511) 6.945 9.916 ( 6.958 0.000 -1.080) 7.041 10.192 ( -6.930 0.000 -4.799) 8.429 10.610 ( 2.012 0.000 6.030) 6.357 10.646 ( 7.597 0.000 4.318) 8.738 10.871 ( -5.943 0.000 -4.848) 7.669 11.152 ( 16.720 0.000 19.319) 25.549 11.279 ( 3.148 0.000 7.322) 7.970 11.284 ( -7.440 0.000 9.070) 11.731 11.541 ( 8.229 0.000 -4.942) 9.599 11.627 ( 4.182 0.000 7.891) 8.930 11.824 ( -3.298 0.000 9.408) 9.970 12.031 ( 7.226 0.000 -6.111) 9.463 12.089 ( -3.544 0.000 -0.101) 3.545 12.154 ( -11.424 0.000 -0.052) 11.424 12.172 ( -5.249 0.000 0.117) 5.250 12.288 ( 14.493 0.000 3.375) 14.881 12.296 ( 1.116 0.000 -5.589) 5.699 12.496 ( -7.301 0.000 4.855) 8.768 12.732 ( 0.750 0.000 -2.640) 2.744 12.953 ( -14.624 0.000 0.819) 14.647 13.050 ( -10.024 0.000 -12.909) 16.344 13.083 ( -0.286 0.000 -0.307) 0.419 13.197 ( -21.476 0.000 -28.843) 35.961 13.792 ( -2.258 0.000 3.011) 3.764 14.126 ( -3.227 0.000 2.231) 3.923 14.163 ( -7.256 0.000 -11.087) 13.251 14.400 ( -14.579 0.000 -14.435) 20.516 14.484 ( -3.091 0.000 -4.059) 5.102 14.986 ( -0.121 0.000 -7.332) 7.333 15.607 ( 3.908 0.000 -2.468) 4.622 16.282 ( 14.131 0.000 -1.574) 14.219 16.853 ( 4.719 0.000 -0.860) 4.797 17.806 ( -4.812 0.000 4.271) 6.434 17.834 ( 12.207 0.000 4.157) 12.895 18.515 ( 1.547 0.000 -0.017) 1.547 18.796 ( 0.369 0.000 10.954) 10.960 19.517 ( -9.447 0.000 6.354) 11.385 20.051 ( 15.496 0.000 -3.015) 15.787 20.293 ( 5.568 0.000 -16.650) 17.556 21.146 ( -12.844 0.000 -5.798) 14.092 21.458 ( 5.563 0.000 3.924) 6.807 21.759 ( -7.742 0.000 -2.424) 8.112 21.893 ( 0.570 0.000 6.220) 6.246 21.909 ( -2.953 0.000 6.134) 6.808 22.292 ( 3.202 0.000 -0.672) 3.272 22.456 ( 7.349 0.000 6.382) 9.733 22.694 ( -1.136 0.000 8.287) 8.364 22.784 ( 2.048 0.000 -3.386) 3.957 23.013 ( 0.309 0.000 0.879) 0.931 28.371 ( -3.623 0.000 -0.211) 3.629 28.407 ( -5.309 0.000 -0.493) 5.332 28.578 ( -6.905 0.000 0.026) 6.905 29.295 ( -4.984 0.000 -10.051) 11.219 29.348 ( 3.247 0.000 12.398) 12.816 30.053 ( 5.349 0.000 -2.855) 6.063 30.333 ( -11.262 0.000 -17.685) 20.967 30.601 ( 1.862 0.000 -1.035) 2.131 30.643 ( -0.213 0.000 -0.507) 0.550 30.960 ( 4.768 0.000 0.250) 4.774 31.067 ( 2.855 0.000 0.110) 2.857 31.080 ( 1.260 0.000 -7.432) 7.538 31.309 ( -12.020 0.000 -8.416) 14.674 31.416 ( -3.164 0.000 -3.146) 4.462 31.594 ( 1.831 0.000 -4.903) 5.233 31.807 ( -3.889 0.000 -2.501) 4.623 31.835 ( -1.895 0.000 8.497) 8.705 32.222 ( 3.351 0.000 -5.344) 6.308 32.407 ( 2.617 0.000 6.610) 7.109 32.623 ( 17.264 0.000 20.194) 26.567 32.878 ( -1.932 0.000 7.289) 7.541 32.912 ( 0.242 0.000 -1.043) 1.071 33.174 ( 0.863 0.000 0.473) 0.984 33.177 ( 0.556 0.000 -4.451) 4.486 33.349 ( -4.791 0.000 -1.308) 4.967 33.708 ( 3.333 0.000 -0.224) 3.340 33.844 ( -5.645 0.000 6.458) 8.578 34.488 ( 2.662 0.000 -7.694) 8.141 ======================= Grid point 53 (24/78) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.271 21.555 19.462) 29.042 0.798 ( 13.749 15.625 27.071) 34.147 1.582 ( -10.191 30.871 39.830) 51.413 1.799 ( 0.558 10.941 3.879) 11.622 2.097 ( 6.079 -12.083 2.283) 13.717 2.195 ( -3.338 -2.818 -5.347) 6.904 2.368 ( -4.516 -13.058 -3.976) 14.378 2.478 ( -5.007 -1.578 -3.605) 6.368 2.620 ( 4.688 -4.248 5.013) 8.072 2.656 ( 0.580 -1.924 2.817) 3.460 2.746 ( 0.231 -1.884 -0.203) 1.909 2.766 ( 5.342 -0.242 -2.039) 5.723 2.884 ( -0.913 5.704 -0.469) 5.796 2.906 ( 1.405 0.851 3.854) 4.189 3.048 ( -10.059 7.569 -4.619) 13.409 3.121 ( -2.990 0.638 -1.760) 3.528 3.233 ( -3.018 8.394 -0.705) 8.948 3.280 ( -3.347 -2.328 7.991) 8.971 3.419 ( -5.291 -4.004 2.720) 7.171 3.449 ( -7.040 4.511 -9.168) 12.409 3.547 ( 1.627 -0.036 -1.335) 2.105 3.651 ( -0.862 -0.586 -3.345) 3.504 3.716 ( 4.909 1.719 -1.503) 5.414 3.897 ( 4.940 1.086 -0.760) 5.115 4.047 ( -0.646 0.775 -12.596) 12.636 4.356 ( -2.422 -12.310 5.932) 13.878 4.428 ( 3.929 -5.194 9.815) 11.779 4.518 ( 2.582 -2.466 -5.177) 6.289 4.720 ( -11.342 -5.276 -2.768) 12.811 4.756 ( -1.226 6.224 -6.936) 9.400 4.863 ( -6.450 -11.771 -4.023) 14.012 4.980 ( 2.377 -1.729 2.093) 3.609 5.162 ( 4.369 -5.417 6.746) 9.692 5.273 ( -0.072 -8.227 -3.401) 8.902 5.356 ( -4.561 2.671 -0.189) 5.289 5.506 ( 3.722 -0.273 6.435) 7.439 5.562 ( 16.070 -4.417 4.293) 17.210 5.719 ( -0.574 11.021 -4.710) 11.999 5.887 ( -0.531 15.474 -2.682) 15.714 5.944 ( -5.813 -2.155 2.270) 6.602 6.043 ( 8.757 3.398 4.862) 10.577 6.261 ( -3.652 -1.512 -1.560) 4.250 6.343 ( 2.327 2.829 2.222) 4.284 6.501 ( -0.026 3.756 -4.447) 5.821 6.563 ( -1.783 2.349 -10.727) 11.125 6.642 ( -8.817 5.243 -1.406) 10.354 6.762 ( -2.551 3.008 -4.931) 6.314 6.869 ( 0.798 -2.854 -2.816) 4.088 6.914 ( -3.079 0.480 1.361) 3.401 7.079 ( 0.017 -0.734 2.101) 2.225 7.163 ( 12.687 -0.489 3.407) 13.146 7.294 ( 1.137 0.735 2.278) 2.650 7.589 ( -3.205 -5.770 -6.069) 8.966 7.781 ( -1.274 -10.019 -2.687) 10.451 7.858 ( -7.133 -19.821 -2.895) 21.263 8.091 ( -7.468 -12.726 -0.902) 14.783 8.305 ( -2.471 -6.498 7.824) 10.466 8.430 ( 1.859 -6.100 1.892) 6.652 8.674 ( 1.253 -1.426 -0.606) 1.993 8.767 ( 2.240 -1.211 2.080) 3.288 8.943 ( -3.064 5.843 2.825) 7.177 8.970 ( 5.391 1.938 -3.322) 6.622 9.431 ( 3.906 -1.268 0.191) 4.111 9.545 ( 4.435 6.998 10.115) 13.075 9.642 ( 6.340 13.340 -2.686) 15.012 9.710 ( 1.870 2.106 -2.000) 3.454 9.920 ( -0.378 3.701 -6.301) 7.317 10.003 ( -1.236 10.016 -2.324) 10.356 10.138 ( 1.456 0.232 5.800) 5.984 10.640 ( -9.936 0.912 3.551) 10.590 10.665 ( 3.374 -5.577 -0.816) 6.569 10.919 ( 1.442 4.641 -4.972) 6.952 11.054 ( -14.318 -5.372 9.346) 17.922 11.272 ( -12.080 -2.185 10.340) 16.050 11.301 ( -4.402 0.125 8.706) 9.756 11.559 ( -3.785 -1.703 -5.204) 6.657 11.759 ( 8.737 -0.128 -1.560) 8.876 11.797 ( -4.451 -3.111 -1.454) 5.622 11.866 ( -1.771 4.704 -0.892) 5.105 12.013 ( -0.169 5.261 0.825) 5.328 12.193 ( -2.162 1.690 -0.294) 2.760 12.218 ( 3.272 3.137 0.987) 4.639 12.366 ( -5.909 0.727 -3.827) 7.077 12.434 ( -0.718 -3.996 1.399) 4.294 12.495 ( 8.093 0.239 1.050) 8.164 12.631 ( 16.001 -3.374 -3.913) 16.815 12.692 ( 4.262 -0.307 0.819) 4.351 12.844 ( 3.518 3.118 -3.149) 5.658 13.068 ( 0.256 -0.477 -3.058) 3.106 13.115 ( -0.638 -0.520 -1.334) 1.568 13.669 ( 5.562 -8.667 8.719) 13.493 13.953 ( -1.102 -0.689 1.283) 1.826 14.011 ( -4.905 -3.600 -3.034) 6.798 14.127 ( 2.182 -6.129 3.023) 7.174 14.716 ( 1.271 10.476 -16.775) 19.818 14.921 ( 3.072 -0.451 -9.796) 10.276 15.696 ( 3.121 3.249 0.209) 4.509 16.118 ( -5.344 -7.108 -13.151) 15.875 17.306 ( 9.970 5.507 15.872) 19.536 17.723 ( 0.383 -6.771 4.925) 8.382 18.060 ( -4.346 14.514 1.953) 15.276 18.571 ( -3.844 12.340 -2.261) 13.121 18.872 ( -9.163 -3.199 2.457) 10.011 19.366 ( -4.560 -8.548 3.664) 10.358 20.158 ( 7.270 4.735 -8.742) 12.316 20.336 ( 4.292 -1.090 -10.396) 11.299 21.021 ( 5.727 3.450 -1.226) 6.797 21.401 ( -3.666 -3.392 -5.140) 7.167 21.791 ( 2.205 4.770 2.896) 6.000 21.919 ( -3.002 1.094 7.083) 7.770 21.934 ( -0.922 -0.573 4.339) 4.473 22.278 ( -0.247 -5.974 1.604) 6.191 22.566 ( -2.271 3.482 0.896) 4.252 22.736 ( 5.697 -5.003 6.694) 10.114 22.809 ( 0.361 -2.979 -1.991) 3.601 22.970 ( -1.050 -3.752 -0.724) 3.963 28.333 ( -0.234 0.034 -0.600) 0.644 28.347 ( -0.082 -0.264 -0.826) 0.871 28.540 ( 1.233 1.171 0.188) 1.710 28.598 ( -12.862 -0.448 -0.477) 12.878 29.408 ( -2.852 0.635 8.299) 8.798 29.654 ( 4.680 -15.960 20.544) 26.433 30.533 ( 4.971 9.797 -10.489) 15.189 30.627 ( -0.886 0.661 -1.136) 1.585 30.641 ( 0.121 0.242 -0.878) 0.919 30.910 ( -6.379 -2.248 -5.385) 8.645 30.978 ( -11.576 2.433 -0.587) 11.844 31.087 ( 4.795 0.135 1.037) 4.907 31.177 ( 2.944 -1.486 0.555) 3.345 31.290 ( 2.849 -5.367 -1.379) 6.231 31.629 ( -0.113 -3.395 7.306) 8.057 31.707 ( 4.903 -0.469 2.603) 5.571 31.942 ( 1.186 2.555 -0.343) 2.838 32.092 ( -2.744 -4.157 5.454) 7.386 32.455 ( -1.695 4.447 3.731) 6.047 32.797 ( -4.366 -2.742 1.438) 5.352 32.908 ( 1.153 1.282 1.025) 2.006 32.992 ( -4.865 12.000 -14.092) 19.138 33.125 ( 0.764 -2.686 -4.751) 5.511 33.203 ( -1.123 2.265 -3.088) 3.991 33.729 ( 1.116 -1.649 2.382) 3.105 33.767 ( -0.085 -2.886 6.142) 6.787 34.133 ( 11.175 7.377 -5.334) 14.414 34.502 ( 6.837 -0.582 -8.678) 11.063 ======================= Grid point 54 (25/78) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 9.384 16.467 19.373) 27.102 1.444 ( 10.222 14.493 24.686) 30.397 1.912 ( 8.064 7.694 4.921) 12.184 1.981 ( 12.166 14.420 27.122) 33.039 2.134 ( 4.441 -4.678 -1.551) 6.634 2.257 ( -0.052 1.650 -2.670) 3.139 2.325 ( 7.589 -3.666 2.010) 8.664 2.428 ( 2.574 -8.566 2.409) 9.264 2.656 ( -2.448 0.005 -5.028) 5.592 2.688 ( 0.338 -2.180 0.003) 2.206 2.743 ( 1.793 -0.082 0.712) 1.931 2.840 ( -3.499 6.321 -0.246) 7.229 2.891 ( 8.309 -1.572 1.492) 8.587 2.961 ( 3.491 1.644 2.632) 4.671 3.022 ( 5.655 -0.470 -1.665) 5.914 3.107 ( 5.187 -0.176 -4.663) 6.977 3.191 ( 3.416 -0.291 1.540) 3.759 3.232 ( -3.025 0.543 -0.306) 3.089 3.355 ( -0.308 -5.623 2.569) 6.189 3.390 ( -0.929 1.337 4.802) 5.070 3.490 ( -1.223 -2.867 -7.565) 8.182 3.615 ( -0.362 2.777 -4.319) 5.148 3.825 ( 11.829 0.979 -4.123) 12.565 3.917 ( 0.248 -7.242 -9.262) 11.759 3.961 ( 2.111 2.656 -2.590) 4.268 4.220 ( -9.317 -0.241 -2.598) 9.675 4.468 ( -8.748 -4.944 1.866) 10.220 4.485 ( -1.040 -5.792 -5.787) 8.253 4.623 ( 0.944 -5.281 -1.195) 5.496 4.781 ( -2.514 -1.717 1.321) 3.318 4.913 ( 6.590 -1.035 8.307) 10.653 4.930 ( 1.397 2.162 3.583) 4.412 5.148 ( -1.530 -0.722 -4.000) 4.344 5.247 ( -1.084 -7.561 2.350) 7.992 5.354 ( -4.854 10.965 2.424) 12.234 5.548 ( -0.406 7.757 -2.592) 8.189 5.641 ( 1.828 0.657 -6.720) 6.995 5.753 ( -0.766 4.729 2.063) 5.216 5.909 ( -0.691 1.243 1.964) 2.425 5.989 ( 7.881 1.510 1.818) 8.227 6.089 ( -8.282 5.582 -3.242) 10.500 6.290 ( -0.459 -3.502 0.776) 3.617 6.318 ( 0.563 -1.501 -0.361) 1.643 6.438 ( -1.992 3.878 -4.460) 6.236 6.515 ( 9.679 7.102 1.427) 12.089 6.570 ( -1.050 1.576 -5.542) 5.856 6.725 ( 8.635 -4.070 0.596) 9.564 6.903 ( 4.539 -1.160 -3.222) 5.686 6.916 ( 5.146 -0.021 1.878) 5.478 7.048 ( -2.091 3.179 -7.251) 8.189 7.222 ( -0.127 -4.688 -2.501) 5.315 7.398 ( 0.000 2.491 1.327) 2.822 7.542 ( 5.774 -6.735 4.508) 9.951 7.741 ( -2.473 -15.487 -1.178) 15.728 7.800 ( -0.695 -12.672 -1.989) 12.846 7.958 ( -4.538 -15.925 -0.846) 16.580 8.304 ( -5.441 -8.865 5.755) 11.887 8.395 ( -9.299 -1.590 2.071) 9.658 8.674 ( -0.063 -4.421 -2.292) 4.980 8.771 ( -3.673 3.672 -0.046) 5.194 8.961 ( 0.250 6.666 4.965) 8.315 9.011 ( 0.582 4.583 -0.411) 4.638 9.471 ( -2.207 -1.539 4.039) 4.853 9.601 ( -4.868 16.491 0.171) 17.195 9.633 ( -7.445 1.028 3.090) 8.126 9.781 ( 4.756 2.011 -1.090) 5.278 9.859 ( 11.745 7.198 -10.150) 17.111 10.037 ( 0.404 11.495 -2.018) 11.678 10.229 ( 2.005 -6.871 6.100) 9.405 10.433 ( -11.588 2.904 -1.000) 11.988 10.653 ( -6.244 -5.354 2.955) 8.739 10.799 ( -8.245 2.405 2.558) 8.961 11.045 ( 5.258 -1.090 -1.898) 5.696 11.152 ( -9.936 1.149 7.118) 12.277 11.286 ( -5.807 1.031 6.369) 8.681 11.484 ( 1.275 0.570 0.448) 1.467 11.671 ( -7.820 -0.209 2.836) 8.321 11.775 ( -7.725 5.219 -0.711) 9.350 11.898 ( 3.377 -6.584 -2.213) 7.723 12.056 ( -3.851 4.719 -5.649) 8.307 12.138 ( -3.396 -2.681 -1.169) 4.482 12.235 ( 8.939 3.032 1.347) 9.535 12.291 ( -11.628 0.712 1.265) 11.719 12.447 ( 7.806 2.678 3.427) 8.936 12.551 ( 2.749 4.076 4.142) 6.429 12.700 ( 3.652 -1.706 -1.776) 4.405 12.755 ( 5.410 -0.556 -5.150) 7.490 13.070 ( 1.373 1.059 -1.409) 2.234 13.108 ( 7.637 1.380 -0.938) 7.818 13.311 ( 31.895 -6.532 -12.633) 34.922 13.876 ( 1.354 -8.743 0.292) 8.852 13.995 ( 4.728 1.047 2.748) 5.568 14.036 ( 16.042 -13.292 0.267) 20.835 14.240 ( 6.755 -9.042 2.421) 11.543 14.578 ( -0.047 7.980 -10.236) 12.979 14.874 ( 3.266 -2.221 -11.987) 12.621 15.745 ( 0.581 0.532 2.694) 2.807 15.838 ( -11.516 -0.564 -9.697) 15.066 17.521 ( -8.432 -3.052 5.358) 10.446 17.713 ( -0.695 -1.060 7.224) 7.335 18.007 ( -4.188 12.251 7.499) 14.962 18.487 ( -0.462 16.979 -2.383) 17.152 18.691 ( -15.670 -5.873 7.598) 18.379 19.366 ( -1.241 -8.129 3.572) 8.966 19.996 ( -13.192 5.393 -9.346) 17.043 20.373 ( 12.177 -5.628 -9.810) 16.619 21.251 ( 12.831 1.434 -1.381) 12.984 21.332 ( 6.547 3.739 -4.893) 8.988 21.856 ( 2.496 1.772 2.481) 3.940 21.937 ( -2.821 0.759 3.516) 4.571 21.953 ( -2.316 0.196 8.062) 8.391 22.261 ( -4.431 -6.618 2.282) 8.285 22.491 ( -4.680 5.862 0.114) 7.502 22.788 ( 1.329 0.590 -2.278) 2.703 22.905 ( 0.196 -3.052 -0.562) 3.109 22.923 ( 2.746 -4.679 3.817) 6.634 28.354 ( 3.160 0.102 -0.773) 3.255 28.367 ( 3.754 -0.229 -1.291) 3.977 28.618 ( 8.024 0.216 0.203) 8.029 28.646 ( 9.751 0.695 -1.407) 9.876 29.445 ( -2.990 2.684 8.573) 9.468 29.862 ( 1.160 -13.426 8.563) 15.967 30.460 ( -3.422 8.883 -4.534) 10.544 30.617 ( -0.245 -0.570 0.199) 0.652 30.656 ( -3.300 -4.272 -5.512) 7.715 30.695 ( -1.395 -4.134 -4.158) 6.027 30.809 ( -6.873 4.001 -0.292) 7.958 31.188 ( 1.970 -1.688 0.111) 2.597 31.204 ( -0.708 -1.622 1.350) 2.226 31.309 ( 1.703 -2.990 -0.457) 3.471 31.665 ( 1.401 0.477 2.448) 2.860 31.816 ( 2.075 3.005 1.279) 3.870 31.986 ( 5.288 1.830 -2.837) 6.274 32.121 ( -0.254 -5.443 3.663) 6.566 32.447 ( -3.355 2.984 5.337) 6.975 32.698 ( -5.279 1.306 -1.589) 5.666 32.814 ( -5.003 10.784 -0.911) 11.923 32.986 ( 2.994 -0.225 2.014) 3.615 33.135 ( 3.537 -5.386 -2.603) 6.949 33.159 ( 0.049 -0.963 -2.942) 3.096 33.717 ( -2.878 1.136 -0.474) 3.130 33.813 ( -0.784 -1.903 4.716) 5.146 34.091 ( -6.161 7.441 -3.287) 10.204 34.527 ( 5.415 -4.292 -7.360) 10.095 ======================= Grid point 55 (26/78) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 7.973 12.033 13.732) 19.923 1.652 ( -2.837 7.651 13.113) 15.445 2.105 ( 4.245 5.569 8.199) 10.783 2.173 ( -3.425 -4.923 8.076) 10.059 2.217 ( -2.400 2.345 2.947) 4.466 2.328 ( 4.835 2.667 -5.716) 7.948 2.457 ( -2.037 -2.468 2.910) 4.326 2.520 ( 12.959 -1.666 2.815) 13.365 2.566 ( 1.870 -0.709 -1.884) 2.748 2.700 ( -1.009 -0.241 0.335) 1.091 2.826 ( -0.169 -1.056 3.267) 3.438 2.869 ( 4.259 2.471 5.603) 7.458 2.965 ( 0.150 -4.928 -1.848) 5.265 3.023 ( 5.059 -1.316 -0.750) 5.281 3.070 ( 1.517 -2.541 0.809) 3.068 3.213 ( 5.294 3.189 0.610) 6.210 3.222 ( -0.313 -4.280 -5.674) 7.114 3.331 ( 2.877 5.005 -1.792) 6.044 3.386 ( -4.186 -0.464 7.990) 9.032 3.450 ( 10.624 -0.488 -2.434) 10.910 3.539 ( 11.441 0.677 4.096) 12.171 3.632 ( 8.437 2.405 -1.286) 8.867 3.877 ( 1.725 3.417 4.328) 5.778 4.084 ( 10.199 -0.635 2.823) 10.602 4.090 ( 20.609 -2.678 -0.443) 20.787 4.184 ( 14.249 -5.388 -4.732) 15.951 4.319 ( -4.797 -6.110 -4.266) 8.863 4.425 ( -0.268 -8.001 -2.905) 8.516 4.636 ( 0.400 -2.803 3.139) 4.227 4.722 ( -1.033 0.992 -2.685) 3.043 4.806 ( -6.471 10.059 -6.198) 13.471 5.013 ( -8.652 3.367 -3.292) 9.851 5.147 ( 1.626 -4.949 2.957) 5.990 5.260 ( -3.399 -5.576 6.255) 9.043 5.366 ( -0.269 9.644 -9.741) 13.711 5.411 ( 1.217 5.654 7.650) 9.590 5.564 ( -12.952 6.817 -7.343) 16.375 5.789 ( -14.110 0.692 -11.599) 18.279 5.876 ( 3.242 2.471 0.142) 4.078 5.893 ( 11.333 5.692 7.419) 14.692 6.088 ( 0.352 7.692 -4.574) 8.956 6.275 ( 3.320 2.788 -3.797) 5.764 6.346 ( 6.677 2.064 4.872) 8.519 6.435 ( 1.669 -8.324 -1.094) 8.560 6.562 ( 3.765 -4.446 -1.698) 6.068 6.696 ( 5.696 -11.041 2.497) 12.672 6.852 ( 1.273 4.465 -4.478) 6.451 6.973 ( 10.594 -5.193 -0.726) 11.821 7.039 ( 6.957 -1.276 1.032) 7.148 7.138 ( 4.202 -0.063 2.355) 4.818 7.224 ( 2.893 -4.322 0.269) 5.208 7.395 ( 0.086 1.944 6.248) 6.544 7.608 ( -8.407 -3.369 -8.051) 12.118 7.668 ( -2.905 -8.803 -1.127) 9.338 7.729 ( 5.651 -5.063 0.477) 7.602 7.934 ( -5.255 -11.704 5.065) 13.793 8.187 ( -10.375 -6.128 2.709) 12.351 8.295 ( -5.382 -10.229 2.694) 11.868 8.592 ( -6.212 -3.748 -3.841) 8.209 8.661 ( -7.852 4.079 -0.333) 8.855 8.901 ( -8.045 9.631 0.310) 12.552 9.047 ( 0.041 4.294 3.263) 5.394 9.407 ( -9.352 -2.777 4.986) 10.955 9.499 ( -7.405 -0.037 -2.254) 7.741 9.554 ( -3.098 14.600 3.113) 15.247 9.755 ( 1.371 2.203 -8.754) 9.130 9.976 ( 4.694 4.129 -9.322) 11.224 10.028 ( 3.694 11.840 -0.774) 12.427 10.266 ( 2.687 -1.395 -5.561) 6.332 10.350 ( 1.502 -4.844 5.514) 7.492 10.559 ( -8.447 2.426 7.437) 11.513 10.741 ( -1.700 -2.143 1.427) 3.086 11.059 ( -4.047 -1.161 0.732) 4.273 11.105 ( -0.721 0.142 2.131) 2.254 11.260 ( -3.437 2.433 4.044) 5.838 11.538 ( -9.416 -2.621 -0.256) 9.778 11.584 ( -3.870 0.432 3.947) 5.544 11.619 ( -2.142 2.270 3.932) 5.020 11.810 ( -6.173 4.932 1.453) 8.034 11.970 ( -11.292 0.706 -1.518) 11.415 12.079 ( 1.597 -3.329 -3.047) 4.787 12.203 ( -1.475 1.710 2.228) 3.172 12.317 ( 4.024 -3.241 1.742) 5.453 12.571 ( -0.567 -8.218 -4.434) 9.355 12.636 ( 4.919 9.622 4.978) 11.898 12.763 ( 8.563 2.364 0.064) 8.883 12.912 ( 15.645 7.005 -2.261) 17.290 13.135 ( 5.842 2.844 0.327) 6.505 13.290 ( 12.589 -0.440 -0.383) 12.603 13.636 ( 19.688 -6.113 -9.564) 22.726 13.854 ( 1.426 -1.679 -3.260) 3.934 14.156 ( 9.384 -0.054 3.037) 9.864 14.297 ( 8.764 -7.043 3.059) 11.652 14.383 ( 9.110 -15.869 -5.387) 19.075 14.529 ( 3.425 4.435 -4.412) 7.132 14.768 ( -0.623 -1.754 -12.664) 12.800 15.572 ( -9.248 4.138 -4.691) 11.165 15.776 ( -1.357 -3.292 3.786) 5.197 17.214 ( -18.464 4.776 -4.814) 19.670 17.797 ( -2.659 -11.594 4.709) 12.793 18.063 ( -1.752 7.760 11.323) 13.838 18.462 ( -2.129 6.359 -5.003) 8.366 18.593 ( -6.215 7.207 16.739) 19.255 19.351 ( -3.156 -6.751 0.225) 7.456 19.666 ( -12.247 7.356 -8.730) 16.742 20.450 ( 6.789 -17.644 -8.321) 20.656 21.272 ( 2.192 14.565 -4.612) 15.434 21.589 ( 15.934 0.547 -1.054) 15.978 21.899 ( -2.603 -0.435 2.447) 3.599 21.949 ( 4.560 -1.234 -0.875) 4.805 21.992 ( -3.230 -0.854 8.641) 9.265 22.176 ( -7.288 -4.381 2.845) 8.966 22.461 ( 0.990 5.723 0.137) 5.809 22.765 ( -0.718 4.199 -3.123) 5.282 22.869 ( 0.666 -5.608 -1.781) 5.921 23.046 ( 3.455 -2.765 3.244) 5.487 28.422 ( 5.233 0.129 -0.386) 5.248 28.438 ( 5.608 -0.051 -1.430) 5.788 28.740 ( 5.549 0.649 -1.139) 5.702 28.834 ( 10.507 -1.491 2.919) 11.006 29.473 ( -2.907 4.783 6.836) 8.836 29.892 ( -2.239 -8.439 2.219) 9.008 30.348 ( -5.919 8.907 -0.706) 10.718 30.417 ( -9.040 -1.064 -7.946) 12.083 30.623 ( 0.151 -0.736 0.830) 1.119 30.696 ( -1.854 -1.613 -0.840) 2.597 30.839 ( 7.191 -7.839 2.768) 10.992 31.085 ( -5.552 -7.838 -2.957) 10.050 31.274 ( 1.200 1.139 3.072) 3.490 31.321 ( -0.451 2.199 0.156) 2.250 31.702 ( -1.823 3.768 2.923) 5.105 31.836 ( 2.548 5.750 -2.861) 6.909 32.040 ( 4.197 1.546 -3.150) 5.470 32.131 ( 1.195 -3.342 -2.009) 4.078 32.476 ( -1.084 1.415 7.071) 7.292 32.608 ( -4.237 -0.391 -0.198) 4.260 32.731 ( -5.585 9.336 1.909) 11.045 33.043 ( 0.375 -0.257 1.839) 1.894 33.127 ( 1.648 -5.799 -2.476) 6.517 33.229 ( 6.492 -4.385 1.067) 7.907 33.649 ( -2.406 1.800 -3.675) 4.747 33.798 ( -3.953 -2.275 -0.306) 4.571 33.973 ( -4.517 9.955 0.607) 10.948 34.542 ( 3.908 -6.219 -5.598) 9.236 ======================= Grid point 56 (27/78) ======================= q-point: ( 0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -3.420 4.506 5.618) 7.972 1.739 ( 2.496 4.477 6.508) 8.284 2.038 ( -12.058 -3.258 5.040) 13.469 2.162 ( -4.150 0.120 2.862) 5.042 2.267 ( 3.344 1.491 0.054) 3.662 2.369 ( 1.245 1.392 0.065) 1.869 2.499 ( 1.206 -10.372 1.774) 10.592 2.583 ( -4.687 4.078 1.232) 6.333 2.632 ( 3.402 -1.382 -3.243) 4.899 2.654 ( -0.552 -4.183 0.980) 4.332 2.848 ( -0.509 -6.834 3.647) 7.763 2.914 ( -0.706 4.847 3.583) 6.068 3.001 ( 0.456 -0.958 -1.312) 1.688 3.050 ( 0.429 -1.045 1.717) 2.055 3.117 ( 1.221 6.432 -2.338) 6.952 3.173 ( 1.561 4.481 -0.546) 4.777 3.290 ( 1.141 2.802 3.325) 4.495 3.362 ( -1.961 5.603 0.893) 6.003 3.382 ( 2.712 2.615 3.561) 5.184 3.580 ( 5.918 -1.179 0.039) 6.035 3.781 ( 10.237 0.355 1.970) 10.431 3.958 ( 11.437 -3.539 -1.841) 12.113 3.991 ( 10.819 -2.172 10.453) 15.199 4.206 ( 2.891 -5.223 5.426) 8.067 4.262 ( 5.152 -4.303 7.210) 9.851 4.305 ( 2.239 -5.728 -2.462) 6.624 4.342 ( -0.865 -3.478 -5.463) 6.534 4.537 ( 8.043 0.426 -5.228) 9.602 4.576 ( -9.693 5.040 -5.235) 12.115 4.692 ( -3.731 -3.353 1.091) 5.133 4.770 ( 11.702 2.409 2.110) 12.132 5.027 ( -5.607 2.091 -9.009) 10.816 5.074 ( 9.474 1.692 -2.594) 9.967 5.242 ( 3.767 5.173 1.192) 6.509 5.267 ( 2.823 -2.817 -3.366) 5.219 5.344 ( 1.434 4.818 -7.195) 8.777 5.501 ( -2.436 6.595 -0.385) 7.041 5.621 ( 5.394 -2.827 4.549) 7.601 5.855 ( -3.171 5.348 3.158) 6.973 6.025 ( -0.249 13.125 0.416) 13.134 6.220 ( 4.048 4.813 4.118) 7.517 6.322 ( -4.710 -1.485 -1.307) 5.109 6.423 ( 11.011 -1.081 0.579) 11.079 6.546 ( 5.019 -2.409 -3.019) 6.333 6.643 ( 2.975 -6.257 3.318) 7.682 6.748 ( 3.158 -4.897 -3.069) 6.585 6.893 ( 6.016 -3.809 0.240) 7.124 6.954 ( -2.914 -3.747 -3.780) 6.067 7.036 ( -5.311 -5.661 -3.488) 8.510 7.167 ( -1.235 -3.683 -0.457) 3.912 7.268 ( -3.683 1.395 3.836) 5.498 7.437 ( -6.134 -4.865 -0.208) 7.831 7.482 ( 6.625 -1.784 3.036) 7.503 7.591 ( -7.177 -8.032 -1.144) 10.832 7.802 ( -6.464 -4.679 1.766) 8.173 7.949 ( 6.601 9.484 6.845) 13.430 8.097 ( -2.233 -10.678 -0.298) 10.913 8.176 ( -7.494 -10.795 -3.426) 13.580 8.417 ( -5.466 -3.037 -5.787) 8.520 8.519 ( -6.382 3.065 -0.584) 7.104 8.821 ( -2.639 5.925 5.307) 8.381 9.072 ( -0.176 2.616 3.459) 4.340 9.262 ( -11.365 -2.569 -1.844) 11.796 9.322 ( -11.023 0.756 3.915) 11.722 9.532 ( 1.062 9.753 -6.133) 11.570 9.726 ( 3.961 4.715 -5.059) 7.970 9.954 ( 1.377 5.377 -5.657) 7.925 10.014 ( 3.795 5.362 -8.912) 11.072 10.316 ( 4.489 -2.004 -0.737) 4.971 10.435 ( 2.039 0.174 0.794) 2.195 10.608 ( 5.068 4.071 7.863) 10.202 10.754 ( -2.011 -4.554 8.533) 9.879 11.006 ( -1.796 2.887 0.296) 3.413 11.105 ( -2.803 -3.952 3.097) 5.750 11.225 ( -4.957 5.233 3.444) 7.988 11.309 ( -11.727 -4.104 1.410) 12.505 11.566 ( -1.082 -1.792 -0.840) 2.255 11.654 ( -2.968 5.472 3.852) 7.320 11.756 ( -7.461 -1.505 3.519) 8.385 11.781 ( -2.843 7.504 -0.644) 8.051 12.065 ( -0.426 -6.075 -1.811) 6.353 12.123 ( -7.336 -1.472 2.878) 8.017 12.452 ( 4.452 3.073 -3.004) 6.187 12.562 ( 8.884 -4.416 -2.683) 10.277 12.764 ( 1.450 3.239 3.853) 5.238 12.931 ( 9.466 4.580 0.824) 10.548 13.058 ( 1.098 -1.617 1.105) 2.245 13.261 ( 6.381 5.866 0.372) 8.676 13.541 ( 15.827 -0.013 1.592) 15.907 13.744 ( 0.593 -5.012 -0.663) 5.091 13.960 ( 14.470 -0.272 -6.282) 15.777 14.289 ( 5.083 -3.596 -7.122) 9.460 14.336 ( -4.001 -5.629 -5.768) 8.998 14.488 ( 6.961 -5.017 6.992) 11.068 14.576 ( 5.573 0.660 -2.459) 6.128 14.684 ( 2.488 1.849 -4.747) 5.669 15.436 ( -3.131 4.091 -1.446) 5.350 15.769 ( -2.874 -6.330 1.470) 7.105 16.905 ( -10.856 7.546 -3.171) 13.596 17.709 ( -6.558 -13.954 -4.337) 16.017 18.130 ( -2.823 5.097 8.119) 9.993 18.389 ( -1.847 0.029 -1.256) 2.234 18.676 ( -4.330 12.741 12.471) 18.347 19.242 ( -6.166 -4.355 -4.823) 8.958 19.500 ( 0.181 6.301 -0.187) 6.306 20.452 ( 1.553 -22.903 -3.772) 23.263 21.266 ( 4.033 18.861 -7.975) 20.871 21.762 ( 4.504 -0.996 -3.988) 6.098 21.896 ( 3.687 -0.221 0.327) 3.708 22.001 ( -2.632 -2.448 4.344) 5.638 22.006 ( -2.567 -1.736 5.560) 6.365 22.113 ( -2.879 -1.392 3.207) 4.529 22.493 ( 2.180 5.118 -1.289) 5.710 22.734 ( 1.084 4.887 -3.073) 5.874 22.869 ( 0.948 -5.623 -1.446) 5.883 23.096 ( 0.589 -2.948 -0.411) 3.034 28.511 ( 4.380 0.267 0.579) 4.426 28.520 ( 4.653 0.118 -0.456) 4.677 28.798 ( 1.159 1.301 1.943) 2.610 29.008 ( 4.896 -4.593 2.906) 7.315 29.481 ( -2.726 5.979 4.221) 7.810 29.879 ( -0.902 -7.299 0.955) 7.416 30.199 ( -4.529 3.640 -7.089) 9.166 30.297 ( -3.131 7.210 4.877) 9.251 30.631 ( -0.202 -0.989 0.213) 1.031 30.680 ( -0.542 -0.713 1.880) 2.082 30.952 ( 0.327 -12.981 -3.094) 13.349 31.010 ( 1.307 -10.586 3.853) 11.341 31.280 ( -0.667 4.698 -3.587) 5.948 31.334 ( 0.526 2.429 4.293) 4.961 31.651 ( -5.910 6.095 2.130) 8.753 31.850 ( 1.257 4.916 -1.067) 5.185 32.075 ( 2.858 1.263 -1.364) 3.409 32.158 ( 6.834 -1.844 -6.338) 9.501 32.507 ( -3.160 3.367 3.652) 5.887 32.555 ( -2.664 0.347 2.370) 3.583 32.657 ( -5.401 8.172 2.440) 10.095 33.044 ( -0.349 -5.140 -0.039) 5.152 33.149 ( 1.478 -4.460 -0.429) 4.718 33.366 ( 6.544 -6.040 2.006) 9.128 33.546 ( -3.325 2.980 -6.285) 7.709 33.740 ( -0.341 0.196 -0.430) 0.583 33.921 ( -3.173 9.062 0.293) 9.606 34.547 ( 3.033 -7.021 -5.393) 9.358 ======================= Grid point 57 (28/78) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -2.833 0.492 3.687) 4.676 1.812 ( 0.308 1.498 0.869) 1.759 1.944 ( -3.691 -2.065 5.422) 6.876 2.134 ( -5.003 6.033 6.381) 10.107 2.161 ( -3.565 -1.167 -8.903) 9.661 2.385 ( -5.207 5.584 6.499) 10.026 2.415 ( -5.378 -1.299 -2.756) 6.181 2.594 ( 0.957 3.072 -0.647) 3.282 2.668 ( 0.250 -9.778 -5.681) 11.311 2.685 ( 3.531 1.670 4.975) 6.325 2.778 ( -9.010 9.908 -9.266) 16.285 2.943 ( 2.092 -6.044 2.003) 6.702 2.973 ( -2.030 -4.426 6.235) 7.911 3.068 ( 0.900 1.171 -1.396) 2.032 3.148 ( 4.168 5.896 0.148) 7.222 3.202 ( -1.063 6.585 2.937) 7.288 3.304 ( -5.767 0.355 4.999) 7.640 3.347 ( 0.179 -3.013 2.462) 3.895 3.470 ( 0.440 1.348 4.709) 4.918 3.649 ( 1.067 2.136 -1.810) 2.996 3.829 ( -0.496 4.069 1.308) 4.303 3.987 ( -8.053 -6.524 -2.968) 10.780 4.084 ( 0.566 -8.710 -5.327) 10.225 4.144 ( -6.249 -6.609 0.658) 9.120 4.261 ( 3.261 -5.413 3.213) 7.089 4.414 ( 2.470 -3.917 7.970) 9.218 4.481 ( 1.889 -3.355 -6.123) 7.233 4.581 ( 1.659 -5.749 2.296) 6.409 4.652 ( 7.865 1.861 8.157) 11.483 4.720 ( 8.608 1.048 12.833) 15.488 4.763 ( 0.125 4.106 -11.395) 12.113 4.921 ( -0.530 4.266 1.358) 4.509 5.117 ( -3.713 -1.055 -10.049) 10.765 5.183 ( -7.420 -3.021 -3.474) 8.732 5.368 ( 7.476 6.573 -8.588) 13.147 5.524 ( 3.268 9.094 7.345) 12.138 5.593 ( 10.967 2.307 4.959) 12.255 5.711 ( -8.753 -1.560 3.809) 9.673 5.768 ( 0.435 6.478 3.084) 7.188 6.111 ( -1.875 1.872 3.897) 4.713 6.131 ( 1.819 6.594 -4.638) 8.264 6.208 ( -1.949 5.790 -3.425) 7.003 6.473 ( 4.894 2.149 -2.820) 6.043 6.592 ( -8.033 -3.801 0.174) 8.889 6.676 ( -0.353 -3.162 2.890) 4.298 6.860 ( 5.376 -3.415 -0.701) 6.407 6.933 ( 3.707 -3.871 -1.210) 5.495 6.984 ( 7.206 -1.200 0.790) 7.347 7.039 ( 1.554 -5.597 3.904) 6.999 7.166 ( 5.023 -1.680 1.278) 5.448 7.261 ( -4.964 -5.690 4.780) 8.936 7.293 ( -10.360 -6.447 -3.826) 12.788 7.357 ( -5.406 -1.505 -5.732) 8.022 7.568 ( -2.240 -6.077 0.783) 6.524 7.725 ( -2.755 5.112 -4.416) 7.296 7.975 ( 2.797 -3.902 -6.466) 8.054 8.050 ( -2.694 2.110 6.237) 7.114 8.175 ( 2.679 -11.229 -2.198) 11.752 8.349 ( 1.440 -4.334 0.568) 4.602 8.526 ( 5.955 -0.523 3.771) 7.067 8.866 ( -0.649 3.353 4.461) 5.618 9.045 ( -8.766 2.453 -0.585) 9.122 9.121 ( 1.762 -6.655 1.032) 6.961 9.216 ( -2.816 0.738 1.170) 3.138 9.469 ( 1.370 10.452 -9.959) 14.501 9.753 ( 3.187 5.559 -2.970) 7.063 9.917 ( 1.297 6.522 -5.908) 8.895 10.001 ( 5.795 2.621 -11.142) 12.830 10.396 ( 3.078 2.082 3.038) 4.800 10.486 ( 2.339 3.101 1.344) 4.110 10.685 ( -5.272 -2.659 8.518) 10.365 10.863 ( -1.505 -0.078 8.931) 9.058 11.006 ( -1.816 0.288 2.501) 3.104 11.086 ( 1.600 -0.771 3.110) 3.581 11.175 ( -2.624 2.650 2.950) 4.755 11.244 ( -0.873 -3.213 7.224) 7.954 11.527 ( -2.213 -0.599 -1.859) 2.951 11.609 ( -2.367 9.055 0.064) 9.359 11.683 ( -0.961 -3.842 0.273) 3.970 11.802 ( 0.359 1.673 2.468) 3.003 12.032 ( -1.865 1.289 2.775) 3.583 12.082 ( 0.845 -8.133 -0.737) 8.210 12.472 ( 3.171 7.117 -4.037) 8.775 12.640 ( 1.087 -3.702 -4.872) 6.215 12.751 ( -4.975 3.505 1.571) 6.286 13.014 ( -5.754 -0.803 0.448) 5.827 13.072 ( 4.328 1.397 1.401) 4.759 13.322 ( 0.534 3.857 0.274) 3.904 13.676 ( -6.836 -0.340 -0.603) 6.871 13.788 ( 3.127 -3.813 5.893) 7.684 14.109 ( 5.750 1.492 -6.106) 8.519 14.210 ( 3.099 -6.377 -10.665) 12.807 14.276 ( 1.918 -3.093 0.453) 3.668 14.670 ( 6.109 -0.349 1.133) 6.223 14.678 ( 4.274 -3.066 8.445) 9.949 14.714 ( 2.311 2.041 0.412) 3.111 15.421 ( 1.816 3.587 0.333) 4.035 15.703 ( -3.340 -4.766 -3.304) 6.692 16.822 ( 3.572 6.216 0.470) 7.185 17.515 ( -5.240 -10.378 -13.212) 17.599 18.109 ( -6.575 4.089 4.092) 8.757 18.356 ( -2.183 -4.031 1.333) 4.775 18.681 ( -4.403 12.122 4.717) 13.732 19.163 ( 4.866 -2.641 -4.395) 7.069 19.590 ( 2.713 4.762 8.137) 9.811 20.463 ( 2.467 -22.061 -0.411) 22.203 21.238 ( 3.783 17.316 -10.822) 20.767 21.737 ( 2.524 -2.590 -7.613) 8.428 21.945 ( -4.270 0.100 5.653) 7.085 21.980 ( -2.920 -2.924 -2.018) 4.599 22.031 ( -0.894 -0.009 8.621) 8.667 22.116 ( -1.029 0.823 3.152) 3.417 22.482 ( -0.771 5.424 -3.636) 6.576 22.735 ( 2.243 4.089 -2.610) 5.344 22.873 ( 1.123 -6.056 -1.151) 6.266 23.060 ( -2.045 -2.883 -3.949) 5.299 28.563 ( 0.006 0.632 1.483) 1.612 28.582 ( 1.818 0.095 0.995) 2.074 28.837 ( -0.101 0.710 4.896) 4.948 29.043 ( -2.640 -4.790 0.607) 5.503 29.461 ( -3.377 5.961 2.050) 7.151 29.856 ( -0.991 -4.316 -1.752) 4.762 30.145 ( 2.359 2.214 -0.050) 3.235 30.375 ( 3.967 5.685 8.653) 11.087 30.615 ( -0.905 -1.837 -1.306) 2.429 30.709 ( 0.378 -0.126 3.743) 3.764 30.901 ( -0.089 -10.790 -3.994) 11.506 31.086 ( 0.247 -14.378 5.701) 15.469 31.212 ( -1.427 5.346 -5.509) 7.808 31.379 ( -1.341 0.287 2.750) 3.073 31.602 ( -0.593 7.118 2.526) 7.576 31.872 ( 1.035 0.896 1.556) 2.072 32.108 ( 1.740 2.537 0.011) 3.076 32.225 ( 8.133 0.610 -6.912) 10.691 32.423 ( -7.241 3.960 -0.955) 8.308 32.536 ( -2.461 9.206 -0.271) 9.533 32.632 ( -1.476 1.219 6.461) 6.739 33.045 ( 0.057 -4.724 0.391) 4.740 33.150 ( 0.057 -5.758 -1.954) 6.081 33.356 ( -4.954 -7.691 -4.933) 10.393 33.555 ( 7.315 5.002 0.084) 8.863 33.771 ( 1.615 1.711 2.448) 3.395 33.859 ( -2.337 8.711 -2.677) 9.408 34.534 ( 2.310 -7.469 -6.521) 10.181 ======================= Grid point 58 (29/78) ======================= q-point: (-0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -10.867 7.336 5.295) 14.140 1.747 ( -10.539 6.516 -2.245) 12.592 1.959 ( -9.068 7.250 8.265) 14.251 2.093 ( 7.862 -1.494 -1.540) 8.150 2.124 ( 0.581 3.338 2.375) 4.137 2.273 ( -6.222 4.832 -3.176) 8.494 2.386 ( 0.283 -0.335 -0.365) 0.571 2.514 ( -7.327 -2.382 -5.384) 9.399 2.564 ( -2.621 4.839 -6.368) 8.416 2.628 ( -0.804 3.509 2.944) 4.650 2.793 ( 1.769 -2.900 3.397) 4.804 2.893 ( -1.299 -2.619 -3.493) 4.556 3.025 ( -2.483 -3.069 3.768) 5.457 3.046 ( 0.514 5.309 -4.882) 7.231 3.172 ( -5.777 1.425 3.902) 7.116 3.209 ( 0.042 1.483 1.944) 2.445 3.262 ( -1.138 3.270 1.433) 3.747 3.374 ( -1.807 0.773 6.797) 7.075 3.512 ( -0.836 -2.532 5.711) 6.303 3.656 ( -1.065 0.887 3.400) 3.672 3.729 ( -7.511 -7.292 -0.888) 10.506 3.951 ( -1.497 -4.104 8.115) 9.216 4.061 ( -4.653 -7.897 7.544) 11.871 4.162 ( -3.005 -3.465 -0.829) 4.661 4.293 ( -7.052 -5.553 0.107) 8.977 4.332 ( -9.806 -14.149 -1.867) 17.316 4.478 ( -0.641 -6.592 0.837) 6.676 4.540 ( -0.234 -0.743 -12.091) 12.116 4.627 ( -14.301 7.427 -0.400) 16.119 4.727 ( -1.478 -3.357 3.593) 5.135 4.770 ( -2.597 -0.473 -3.258) 4.193 4.922 ( 2.152 5.551 -6.969) 9.166 4.994 ( 3.535 -4.693 -1.933) 6.185 5.144 ( 7.427 8.821 10.159) 15.368 5.331 ( -1.806 4.630 -3.477) 6.066 5.614 ( -0.811 6.206 3.432) 7.138 5.669 ( 3.498 3.880 5.153) 7.338 5.731 ( -3.734 1.866 -5.592) 6.978 5.883 ( 0.883 3.383 7.095) 7.910 5.940 ( -1.281 7.254 -1.555) 7.529 6.258 ( 5.300 1.148 5.251) 7.549 6.340 ( 8.382 -1.907 3.208) 9.175 6.388 ( -7.549 -0.204 -2.882) 8.083 6.451 ( -11.643 -5.028 -4.873) 13.586 6.698 ( 3.486 -0.936 3.257) 4.862 6.737 ( -13.178 4.539 -2.026) 14.084 6.951 ( -2.072 -5.870 1.671) 6.445 7.026 ( -4.416 2.990 -4.037) 6.688 7.081 ( -0.426 2.830 -2.765) 3.979 7.134 ( -0.097 -7.251 0.033) 7.251 7.241 ( -6.675 1.337 -4.333) 8.070 7.314 ( 7.408 -1.742 1.123) 7.692 7.421 ( 0.796 -4.305 -1.227) 4.547 7.484 ( 20.633 0.194 -1.388) 20.681 7.718 ( 2.984 -2.616 1.911) 4.405 8.037 ( -6.036 -3.767 5.865) 9.221 8.057 ( 7.463 -9.217 -0.853) 11.890 8.207 ( 4.290 -14.624 -2.307) 15.414 8.462 ( 8.163 -1.081 4.516) 9.391 8.693 ( 5.631 -1.982 5.263) 7.959 8.849 ( -0.687 6.263 -3.828) 7.372 8.973 ( -2.338 1.566 2.396) 3.696 9.164 ( 3.445 -6.116 -0.124) 7.021 9.252 ( 5.317 -3.638 -2.241) 6.821 9.412 ( 4.970 11.398 -9.058) 15.384 9.761 ( -0.507 6.753 -2.419) 7.190 9.888 ( 4.891 6.382 -8.189) 11.476 9.980 ( 5.257 4.008 -11.419) 13.194 10.455 ( -0.519 3.986 2.306) 4.634 10.486 ( -2.692 4.219 0.129) 5.006 10.656 ( -8.749 -0.109 9.915) 13.223 10.874 ( -7.557 -2.429 14.180) 16.250 11.006 ( -0.009 3.785 0.110) 3.787 11.168 ( -0.766 -5.417 -0.206) 5.474 11.200 ( 6.379 1.818 6.890) 9.564 11.398 ( 5.056 -3.936 0.674) 6.443 11.499 ( 2.208 0.151 3.874) 4.462 11.594 ( -4.723 -0.169 2.457) 5.327 11.679 ( 5.460 4.890 0.749) 7.367 11.885 ( 5.898 -1.767 3.501) 7.083 12.075 ( 3.222 3.549 1.052) 4.907 12.110 ( 3.045 -6.111 -1.140) 6.922 12.486 ( -10.901 3.198 -0.766) 11.387 12.503 ( 4.660 3.300 -3.905) 6.918 12.679 ( -3.052 2.669 -3.540) 5.382 12.863 ( -12.388 -1.999 1.472) 12.634 13.122 ( 1.065 1.398 -0.565) 1.846 13.285 ( -5.982 1.332 1.086) 6.224 13.463 ( -14.549 3.575 -0.395) 14.987 13.887 ( 2.570 -6.097 4.785) 8.165 14.010 ( -7.403 0.985 -4.624) 8.784 14.070 ( -5.310 3.303 -8.622) 10.651 14.405 ( 0.490 -9.730 4.329) 10.661 14.665 ( -8.679 -11.333 -1.161) 14.322 14.767 ( 0.918 -0.415 3.816) 3.946 14.886 ( 12.133 1.637 3.245) 12.666 15.521 ( 9.200 4.382 3.070) 10.643 15.620 ( 0.219 0.441 -5.884) 5.904 17.026 ( 15.385 1.198 4.142) 15.978 17.274 ( -2.297 -3.199 -19.199) 19.599 18.015 ( -7.162 2.995 2.181) 8.064 18.354 ( 0.257 -5.852 2.748) 6.470 18.667 ( -1.729 11.203 5.053) 12.411 19.303 ( 12.926 -5.947 -2.396) 14.429 19.706 ( 0.715 7.108 8.922) 11.430 20.495 ( 2.299 -18.305 -4.949) 19.102 21.214 ( 5.368 13.926 -6.475) 16.269 21.711 ( 3.671 -4.382 -11.850) 13.156 21.862 ( -8.464 0.979 1.275) 8.615 21.915 ( -7.297 0.197 8.726) 11.377 22.046 ( -2.660 -0.339 0.379) 2.708 22.166 ( -0.091 -0.012 6.990) 6.991 22.409 ( -1.536 6.762 -4.643) 8.345 22.755 ( 2.766 2.043 -2.348) 4.164 22.889 ( 1.440 -5.849 -0.130) 6.025 22.952 ( -4.173 -2.022 -6.023) 7.602 28.538 ( -4.336 0.844 1.312) 4.608 28.586 ( -3.203 -0.117 1.741) 3.648 28.895 ( -2.122 -1.571 4.793) 5.472 28.964 ( -4.437 -0.545 2.782) 5.266 29.407 ( -3.946 3.997 0.456) 5.635 29.842 ( 0.519 -5.188 -0.830) 5.280 30.240 ( 6.237 1.792 2.634) 7.003 30.559 ( 4.542 -1.512 1.660) 5.067 30.599 ( 2.501 1.049 5.590) 6.213 30.755 ( 0.391 1.410 2.477) 2.877 30.870 ( 0.397 -11.167 -1.867) 11.329 31.125 ( -1.547 -2.096 -0.806) 2.727 31.159 ( 1.044 -5.392 2.098) 5.879 31.348 ( -2.187 -1.579 -0.234) 2.707 31.658 ( 0.684 2.473 4.154) 4.883 31.891 ( -0.875 -4.074 -0.536) 4.201 32.145 ( 3.197 3.146 -2.568) 5.168 32.222 ( -6.427 7.482 0.860) 9.901 32.307 ( -0.987 0.250 -4.682) 4.791 32.523 ( 5.196 16.439 -1.321) 17.291 32.704 ( -0.159 -2.605 8.684) 9.068 33.028 ( -1.763 1.524 -1.858) 2.980 33.140 ( 2.077 -8.039 -1.381) 8.417 33.236 ( -3.230 -5.535 -3.377) 7.243 33.658 ( 3.426 3.821 -1.284) 5.290 33.792 ( 2.531 11.703 -6.266) 13.514 33.831 ( -1.122 -0.698 4.954) 5.127 34.497 ( 2.431 -7.615 -8.508) 11.674 ======================= Grid point 59 (30/78) ======================= q-point: (-0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -18.712 17.531 5.760) 26.280 1.402 ( -24.772 14.207 1.167) 28.580 1.853 ( -5.951 10.311 -4.305) 12.659 2.090 ( -24.579 6.101 7.169) 26.320 2.164 ( -0.636 -10.379 -0.489) 10.409 2.243 ( -0.652 -0.619 -6.033) 6.100 2.346 ( 1.305 -2.434 -1.376) 3.085 2.357 ( 0.817 9.103 5.761) 10.803 2.567 ( 3.086 1.664 3.788) 5.162 2.629 ( -0.958 -4.261 3.137) 5.377 2.845 ( -2.993 2.307 -0.518) 3.814 2.871 ( 0.366 -3.294 0.527) 3.356 2.951 ( 1.200 3.068 -0.518) 3.335 3.026 ( -3.370 1.258 3.680) 5.146 3.155 ( -1.455 -0.166 4.336) 4.577 3.225 ( -5.138 4.267 0.613) 6.707 3.258 ( 1.032 1.833 2.919) 3.598 3.435 ( -1.358 1.186 6.938) 7.168 3.462 ( -8.823 2.460 1.778) 9.330 3.508 ( -12.359 -6.488 -4.267) 14.596 3.674 ( -4.718 -9.048 1.903) 10.380 3.829 ( -16.849 -7.923 4.934) 19.261 3.932 ( -7.569 -4.090 -3.000) 9.112 4.084 ( -8.801 -2.499 -2.039) 9.373 4.111 ( 0.592 -4.156 4.476) 6.137 4.290 ( 5.944 -7.313 -1.289) 9.512 4.464 ( -2.563 -2.126 6.525) 7.325 4.511 ( 1.024 -3.401 -1.850) 4.004 4.581 ( 4.917 2.244 1.153) 5.527 4.761 ( 2.549 -1.527 1.653) 3.400 4.852 ( 5.462 -1.568 -5.778) 8.104 4.881 ( 6.906 0.695 0.609) 6.968 5.013 ( -3.362 4.270 -1.314) 5.591 5.224 ( -8.103 13.524 2.692) 15.994 5.282 ( -0.063 -6.397 -1.485) 6.568 5.564 ( -0.478 -3.854 -9.764) 10.508 5.620 ( 0.566 -1.509 -3.688) 4.024 5.811 ( 7.091 1.662 3.075) 7.905 5.853 ( -5.453 0.239 2.636) 6.061 6.012 ( -3.225 7.038 -1.766) 7.941 6.159 ( -4.318 0.889 0.555) 4.443 6.287 ( -0.477 -3.096 1.115) 3.325 6.404 ( -5.500 0.356 2.110) 5.901 6.518 ( 6.395 1.698 -2.466) 7.062 6.545 ( 3.061 12.880 0.465) 13.247 6.606 ( -11.970 -2.412 2.607) 12.485 6.796 ( -6.997 -1.118 -4.533) 8.411 6.906 ( -4.018 2.575 -3.695) 6.035 7.013 ( -4.754 4.154 -4.844) 7.957 7.106 ( -2.499 3.526 0.286) 4.331 7.243 ( 2.195 -6.481 -1.673) 7.044 7.422 ( 5.384 -6.185 9.309) 12.405 7.555 ( 0.875 -0.450 -0.254) 1.016 7.741 ( 0.569 -5.397 4.882) 7.300 7.814 ( 13.088 -1.542 -0.248) 13.181 8.041 ( 2.031 -1.619 6.318) 6.831 8.161 ( 2.753 -16.359 3.087) 16.874 8.318 ( 7.588 -15.250 4.310) 17.570 8.644 ( 7.023 -0.891 1.021) 7.153 8.750 ( -3.445 -3.478 -1.784) 5.210 8.809 ( 2.019 5.308 -5.160) 7.673 8.976 ( 5.343 5.541 -3.451) 8.436 9.240 ( 5.528 -5.474 -0.537) 7.798 9.310 ( 3.037 -0.671 0.185) 3.116 9.491 ( 11.564 4.427 -6.378) 13.928 9.669 ( -3.233 9.043 -5.660) 11.148 9.924 ( 6.960 3.501 -9.466) 12.260 9.972 ( 5.147 11.250 -5.749) 13.642 10.376 ( -6.498 1.985 -1.936) 7.065 10.491 ( -2.174 0.602 6.842) 7.204 10.623 ( -4.317 5.242 8.481) 10.865 10.892 ( -4.803 -1.874 12.697) 13.703 11.015 ( 1.608 5.717 -3.560) 6.924 11.147 ( -0.194 -6.212 2.028) 6.538 11.332 ( -5.465 -2.674 6.286) 8.748 11.442 ( 5.439 -2.117 -1.193) 5.957 11.578 ( 0.490 0.956 4.890) 5.007 11.632 ( 9.930 3.214 4.572) 11.395 11.879 ( 8.375 -6.137 2.867) 10.771 12.042 ( 9.199 0.177 1.792) 9.374 12.119 ( 1.589 4.884 -0.513) 5.162 12.155 ( 2.826 -4.179 -1.197) 5.185 12.338 ( -5.025 7.416 3.089) 9.476 12.513 ( -4.508 -0.344 -6.790) 8.158 12.591 ( -7.489 0.686 1.757) 7.722 12.664 ( -4.189 -1.357 0.308) 4.414 13.102 ( -4.651 0.160 -0.513) 4.682 13.139 ( -9.510 -0.808 0.452) 9.555 13.221 ( -11.880 4.725 0.130) 12.786 13.778 ( -11.145 4.245 -8.135) 14.437 13.890 ( -6.585 -0.449 -4.952) 8.252 13.968 ( -1.481 -6.804 2.510) 7.402 14.311 ( -11.341 -11.196 -5.815) 16.964 14.419 ( -15.158 -10.978 1.607) 18.784 14.795 ( 1.599 4.876 -1.200) 5.270 15.032 ( 3.456 -1.617 -3.184) 4.969 15.604 ( 3.718 3.143 -4.583) 6.686 15.840 ( 19.922 -0.991 7.155) 21.191 17.032 ( -0.133 2.950 -15.440) 15.720 17.412 ( 16.983 -4.838 4.761) 18.289 17.939 ( -2.812 6.091 2.679) 7.224 18.433 ( 5.139 -2.951 3.328) 6.797 18.739 ( 1.748 9.100 8.921) 12.863 19.457 ( 0.797 -10.701 4.548) 11.654 19.846 ( 12.010 9.241 0.641) 15.167 20.403 ( -0.919 -9.395 -13.965) 16.856 21.311 ( 6.712 5.991 1.471) 9.116 21.512 ( -9.687 2.115 -11.668) 15.312 21.830 ( 0.542 -1.667 2.781) 3.287 21.860 ( -8.277 -2.601 5.606) 10.330 21.970 ( -6.010 2.297 1.470) 6.600 22.212 ( 0.109 -3.274 2.856) 4.346 22.399 ( 3.533 8.481 -0.113) 9.188 22.771 ( 2.101 -0.471 -3.192) 3.851 22.796 ( -5.766 -0.840 -5.204) 7.812 22.937 ( 2.161 -4.396 1.498) 5.123 28.456 ( -5.645 0.566 0.523) 5.697 28.510 ( -6.533 -0.512 0.736) 6.594 28.763 ( -10.029 2.172 -0.512) 10.275 29.066 ( 1.831 -4.064 12.956) 13.701 29.352 ( -2.538 0.834 0.354) 2.695 29.789 ( -8.624 -15.684 -1.301) 17.946 30.389 ( 8.831 2.132 -0.361) 9.091 30.565 ( 2.259 -2.281 -1.783) 3.672 30.715 ( -0.869 0.279 -1.789) 2.008 30.827 ( 5.508 2.669 8.694) 10.632 30.910 ( 3.529 -8.223 1.850) 9.138 31.092 ( 2.005 1.440 -4.403) 5.048 31.227 ( 0.446 -6.873 7.377) 10.092 31.311 ( -1.920 -7.069 -1.388) 7.455 31.647 ( -6.580 -1.616 0.576) 6.800 31.799 ( -5.159 -0.939 -4.583) 6.964 32.042 ( -4.235 2.395 -5.382) 7.255 32.215 ( -5.161 -1.086 -2.052) 5.659 32.278 ( 4.263 8.245 5.975) 11.039 32.715 ( 13.248 16.576 3.898) 21.574 32.779 ( -1.059 -4.689 7.491) 8.901 32.991 ( 2.419 5.236 -1.493) 5.958 33.176 ( -1.099 -4.065 -1.551) 4.487 33.193 ( 3.126 -0.037 1.952) 3.686 33.629 ( -0.492 3.855 -7.620) 8.554 33.762 ( 1.188 6.782 -8.805) 11.177 33.872 ( 0.230 3.898 4.554) 5.999 34.461 ( 4.401 -6.365 -9.296) 12.096 ======================= Grid point 60 (31/78) ======================= q-point: (-0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -23.507 25.697 -2.719) 34.933 0.926 ( -33.217 14.316 7.205) 36.881 1.554 ( -28.809 20.537 26.850) 44.415 1.821 ( -8.665 13.807 5.333) 17.151 2.050 ( -3.132 -8.826 -2.153) 9.609 2.292 ( 4.113 -6.755 0.605) 7.932 2.391 ( 3.767 -0.773 -1.099) 3.999 2.447 ( 0.978 -4.003 1.850) 4.517 2.618 ( -2.194 -7.140 2.764) 7.965 2.649 ( -4.061 -4.811 3.020) 6.983 2.778 ( -4.531 -2.996 -2.567) 6.008 2.813 ( -3.471 0.711 -0.324) 3.558 2.912 ( -6.506 2.168 2.101) 7.172 3.022 ( -10.261 -0.604 -1.519) 10.390 3.115 ( 7.623 14.573 4.953) 17.176 3.233 ( -6.927 0.403 -0.619) 6.967 3.259 ( -2.084 -3.737 6.007) 7.375 3.313 ( -9.883 3.115 0.627) 10.381 3.401 ( 2.432 1.555 2.270) 3.672 3.495 ( 4.561 1.116 -1.547) 4.944 3.583 ( -0.696 -1.760 -0.797) 2.054 3.615 ( -4.834 -1.582 -2.085) 5.497 3.823 ( -11.349 -5.551 -0.553) 12.646 3.885 ( -1.682 3.686 -3.885) 5.613 4.192 ( -0.600 -8.496 -4.895) 9.823 4.367 ( -6.922 -0.991 4.802) 8.483 4.379 ( 1.434 -6.004 3.707) 7.200 4.603 ( -6.604 -1.406 -8.136) 10.572 4.739 ( 4.691 -2.095 3.922) 6.463 4.791 ( 12.215 -1.780 0.731) 12.365 4.832 ( -0.209 -1.235 3.968) 4.161 4.926 ( 2.789 4.090 -4.675) 6.810 5.084 ( 13.395 -2.628 6.167) 14.979 5.236 ( -5.171 -7.048 -10.676) 13.799 5.303 ( 6.051 2.116 3.543) 7.324 5.361 ( -1.543 -7.047 -2.634) 7.680 5.617 ( -3.126 -6.977 -0.739) 7.681 5.743 ( -5.919 -6.260 -0.122) 8.616 5.878 ( 1.367 11.909 -3.553) 12.502 5.901 ( -0.649 8.770 -0.644) 8.818 6.166 ( -11.403 3.678 0.877) 12.013 6.274 ( 4.348 5.800 -0.023) 7.249 6.290 ( -0.444 -1.839 0.331) 1.921 6.551 ( -0.809 -3.447 -1.413) 3.812 6.625 ( 4.846 6.353 2.738) 8.446 6.721 ( 4.029 1.647 9.043) 10.036 6.756 ( 1.943 5.910 -11.441) 13.023 6.778 ( 2.584 -2.652 4.978) 6.204 6.950 ( -4.053 2.228 1.294) 4.803 7.090 ( 2.772 5.272 -3.943) 7.143 7.129 ( -8.746 -1.830 -3.205) 9.493 7.323 ( -8.527 0.862 -0.881) 8.616 7.623 ( 0.363 -7.427 1.046) 7.509 7.802 ( -0.370 -9.738 1.238) 9.823 7.992 ( 4.381 3.660 7.556) 9.470 8.107 ( -3.613 -18.400 -0.853) 18.771 8.254 ( 2.481 -9.421 6.372) 11.641 8.437 ( -0.300 -12.370 0.615) 12.389 8.669 ( 1.730 -2.687 -4.659) 5.650 8.695 ( 3.312 -3.429 -2.044) 5.187 8.854 ( 4.614 2.028 1.955) 5.406 9.008 ( 1.318 6.482 -5.051) 8.323 9.343 ( 6.781 -3.422 -0.613) 7.620 9.385 ( 3.228 2.726 4.713) 6.330 9.601 ( 2.158 13.070 -3.094) 13.604 9.627 ( 8.938 -1.463 -4.322) 10.036 9.927 ( 4.042 8.801 -6.452) 11.637 10.029 ( 2.786 11.728 1.060) 12.101 10.208 ( -8.710 0.955 -4.145) 9.693 10.558 ( 2.187 -3.000 6.514) 7.498 10.672 ( 0.337 0.407 5.188) 5.215 10.960 ( -1.127 7.258 -4.054) 8.390 11.028 ( 3.191 -6.118 13.234) 14.925 11.216 ( 1.227 -5.041 7.011) 8.722 11.299 ( -5.683 0.738 10.025) 11.547 11.527 ( 8.076 -1.218 -2.913) 8.671 11.646 ( 3.626 2.600 2.476) 5.103 11.847 ( -1.056 1.500 6.295) 6.556 11.960 ( 3.758 -7.240 -2.349) 8.488 12.120 ( 3.520 6.001 -0.825) 7.005 12.164 ( 1.106 -3.576 1.306) 3.964 12.222 ( -6.847 -1.439 -3.215) 7.700 12.269 ( -3.102 3.859 -1.804) 5.270 12.368 ( 8.924 4.304 -1.370) 10.002 12.440 ( -7.297 -1.983 2.419) 7.939 12.688 ( -2.275 -3.815 -1.873) 4.820 12.842 ( -18.205 -1.983 -2.501) 18.482 13.084 ( -4.235 1.814 -2.060) 5.047 13.100 ( 0.885 0.220 -0.586) 1.084 13.322 ( -26.471 0.871 -21.814) 34.312 13.664 ( -11.817 -5.550 3.225) 13.448 13.942 ( -0.618 -2.262 2.023) 3.097 14.122 ( -4.543 -5.979 -0.635) 7.536 14.201 ( -12.732 -5.486 1.180) 13.914 14.804 ( 6.548 9.556 -12.778) 17.248 14.990 ( -0.049 -0.254 -8.034) 8.038 15.640 ( 4.327 3.963 -2.455) 6.360 16.182 ( 11.371 -9.860 -3.441) 15.440 17.013 ( 8.991 10.816 1.604) 14.156 17.630 ( 2.933 -10.812 6.017) 12.717 18.017 ( 5.225 12.306 4.009) 13.957 18.565 ( 5.211 3.819 1.398) 6.610 18.879 ( 3.021 3.196 6.724) 8.034 19.433 ( -7.776 -8.659 6.437) 13.299 20.092 ( 14.019 4.152 -5.872) 15.756 20.270 ( 7.326 -1.897 -14.250) 16.135 21.165 ( -13.051 3.159 -6.271) 14.820 21.467 ( 1.280 -0.499 1.981) 2.411 21.758 ( -3.206 0.456 0.071) 3.239 21.881 ( 0.570 -1.182 4.975) 5.145 21.918 ( -4.022 2.521 4.996) 6.892 22.251 ( 1.699 -5.388 1.121) 5.760 22.493 ( 4.969 5.249 3.688) 8.114 22.673 ( -4.364 -0.626 1.493) 4.655 22.789 ( 3.354 -0.264 -2.195) 4.017 22.975 ( 0.483 -4.019 0.563) 4.087 28.373 ( -3.681 0.212 -0.310) 3.700 28.402 ( -5.271 -0.487 -0.468) 5.314 28.600 ( -7.530 2.295 0.105) 7.872 29.127 ( -18.049 -21.297 -7.301) 28.856 29.344 ( 0.537 0.265 9.903) 9.921 29.489 ( -18.373 -14.379 11.367) 25.952 30.501 ( 8.760 4.631 -7.888) 12.665 30.620 ( 2.729 -0.360 0.923) 2.904 30.673 ( -0.135 4.498 -3.484) 5.690 30.946 ( 2.212 -0.022 1.244) 2.538 31.005 ( 4.173 -4.241 1.388) 6.109 31.105 ( 0.664 0.926 -0.712) 1.344 31.233 ( -2.689 -6.053 -4.930) 8.256 31.286 ( -5.774 -9.781 4.965) 12.395 31.497 ( -1.502 5.184 2.716) 6.043 31.711 ( -3.495 -0.492 0.890) 3.640 31.955 ( -1.721 2.129 -1.681) 3.212 32.121 ( -5.040 -2.791 2.032) 6.109 32.404 ( 2.739 5.977 4.973) 8.244 32.815 ( -1.948 -4.332 4.863) 6.797 32.868 ( 2.891 1.301 -0.499) 3.209 33.102 ( 4.039 -1.675 -5.734) 7.211 33.186 ( 2.391 2.930 -1.533) 4.081 33.344 ( 0.045 -0.496 3.196) 3.234 33.512 ( 12.528 18.854 -6.186) 23.467 33.708 ( 1.780 -0.487 -3.163) 3.662 33.932 ( 5.665 12.217 0.301) 13.470 34.470 ( 6.281 -2.714 -7.718) 10.314 ======================= Grid point 61 (32/78) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 9.439 26.117 17.265) 32.699 1.346 ( 1.637 31.095 1.257) 31.164 1.688 ( 4.463 -22.791 7.801) 24.500 1.859 ( 1.889 -15.469 5.397) 16.492 2.019 ( 0.824 7.679 -0.800) 7.765 2.177 ( 1.453 -5.384 -3.417) 6.541 2.255 ( -8.380 14.089 14.688) 22.010 2.439 ( -3.807 -4.018 4.033) 6.849 2.574 ( 0.821 -0.051 6.183) 6.238 2.615 ( 1.668 -2.765 4.768) 5.759 2.720 ( 0.060 0.104 -1.791) 1.795 2.740 ( 2.135 -1.575 0.092) 2.654 2.926 ( -0.906 2.024 0.420) 2.256 3.003 ( 0.470 2.660 4.047) 4.865 3.049 ( -3.645 -3.752 -0.988) 5.324 3.083 ( -3.566 -1.948 -2.902) 4.993 3.291 ( -3.100 2.910 -0.554) 4.288 3.329 ( -1.641 0.521 -0.092) 1.724 3.459 ( -4.224 5.430 0.959) 6.946 3.529 ( -2.301 -1.948 -0.014) 3.014 3.599 ( -9.970 9.508 -6.993) 15.450 3.677 ( -3.929 4.764 -4.709) 7.766 3.774 ( -0.090 -4.960 -8.526) 9.864 3.831 ( 4.885 -2.426 -3.624) 6.549 4.081 ( -6.602 2.718 -5.912) 9.270 4.165 ( 5.694 -6.036 3.616) 9.052 4.394 ( -0.440 2.825 5.225) 5.956 4.494 ( 2.308 -0.481 0.196) 2.365 4.568 ( -9.256 -7.761 -4.735) 12.974 4.650 ( 2.643 -10.647 -1.786) 11.115 4.870 ( -2.114 5.667 -4.491) 7.534 4.962 ( 0.741 -0.875 5.559) 5.676 5.012 ( 5.325 -4.439 -0.592) 6.958 5.106 ( -0.852 -9.316 -5.147) 10.677 5.388 ( 6.492 1.778 4.036) 7.849 5.441 ( 6.801 -3.904 5.654) 9.668 5.624 ( 4.944 8.546 9.010) 13.366 5.794 ( 2.815 -8.027 12.519) 15.135 5.984 ( -0.946 12.114 -3.261) 12.581 6.178 ( -1.813 -7.329 1.714) 7.742 6.222 ( 8.435 12.247 0.145) 14.871 6.290 ( -3.095 21.194 -5.882) 22.211 6.408 ( -6.328 3.945 -1.244) 7.560 6.456 ( 5.639 -4.673 -3.258) 8.015 6.549 ( -4.761 -5.169 -1.863) 7.270 6.690 ( -2.779 -10.854 -2.123) 11.404 6.806 ( -3.332 4.135 -8.728) 10.217 6.820 ( -6.102 1.572 -3.535) 7.225 6.931 ( 1.498 0.665 2.257) 2.789 7.012 ( 1.380 -5.676 -1.655) 6.071 7.155 ( 7.458 3.222 0.253) 8.128 7.264 ( 2.923 -4.992 1.971) 6.111 7.482 ( -3.601 -3.747 0.946) 5.282 7.536 ( -9.057 -10.175 -2.605) 13.869 7.691 ( -5.882 1.452 -8.868) 10.740 7.830 ( -5.246 -12.546 -8.383) 15.975 8.318 ( -2.386 8.868 4.279) 10.131 8.440 ( -0.344 1.721 2.772) 3.281 8.614 ( 3.174 -3.947 4.787) 6.969 8.668 ( 5.589 -8.123 4.655) 10.904 8.957 ( 2.090 -0.085 3.437) 4.024 8.978 ( 1.823 -1.674 -1.746) 3.029 9.466 ( 7.337 3.975 -2.853) 8.819 9.539 ( 9.011 -3.394 -1.685) 9.775 9.821 ( 5.329 6.599 1.326) 8.585 9.869 ( 1.524 4.259 3.821) 5.921 9.971 ( -3.083 4.133 -1.775) 5.453 10.039 ( -4.435 -1.580 -0.533) 4.738 10.353 ( 1.334 13.052 -0.303) 13.124 10.523 ( 1.314 -7.408 -0.637) 7.551 10.720 ( -8.316 7.773 6.011) 12.873 10.896 ( -5.260 -6.686 0.373) 8.515 11.042 ( -6.016 2.151 7.120) 9.566 11.143 ( -6.312 -7.724 7.803) 12.664 11.408 ( -3.396 7.379 3.870) 8.997 11.513 ( -2.582 -3.516 -2.278) 4.921 11.738 ( -0.044 -0.843 -3.056) 3.171 11.752 ( -2.074 -1.699 -0.585) 2.744 11.993 ( 1.989 7.031 -0.776) 7.348 12.085 ( 4.649 -0.682 1.596) 4.962 12.209 ( 2.230 2.981 -0.489) 3.755 12.278 ( 3.168 0.491 0.266) 3.217 12.349 ( -0.279 -1.750 1.038) 2.053 12.376 ( -3.241 -0.402 -1.510) 3.598 12.488 ( 5.934 0.131 0.572) 5.963 12.542 ( 5.520 -5.281 -4.026) 8.635 12.733 ( 0.249 4.264 0.377) 4.288 12.822 ( -2.892 -4.239 -0.416) 5.148 13.072 ( 0.927 0.994 -2.657) 2.985 13.095 ( 0.567 -1.243 -1.654) 2.145 13.713 ( 0.863 8.744 -2.067) 9.026 13.893 ( -1.564 -8.525 -4.090) 9.584 13.961 ( -1.305 0.778 1.963) 2.482 14.009 ( 0.620 -4.649 2.461) 5.297 14.843 ( 0.960 4.409 -14.114) 14.818 14.900 ( 2.111 -1.919 -11.518) 11.867 15.793 ( 1.800 7.038 -2.992) 7.857 15.953 ( -0.959 -9.476 -8.102) 12.504 17.413 ( 3.544 6.806 13.365) 15.411 17.565 ( 1.634 -8.995 10.031) 13.572 18.364 ( -3.481 16.932 3.046) 17.552 18.662 ( -0.522 -13.034 -0.121) 13.045 18.867 ( -9.370 14.020 4.680) 17.501 19.146 ( -5.382 -14.115 3.579) 15.524 20.249 ( 7.131 4.086 -9.793) 12.785 20.306 ( 5.826 -2.185 -10.012) 11.787 21.138 ( 2.851 8.295 -2.688) 9.174 21.296 ( -0.624 -7.575 -3.731) 8.467 21.869 ( 1.403 2.898 3.900) 5.057 21.908 ( -1.072 -1.485 6.178) 6.444 21.999 ( -1.370 6.511 3.047) 7.318 22.140 ( -0.875 -7.901 2.341) 8.287 22.642 ( -0.470 3.774 1.268) 4.009 22.689 ( 4.309 -1.343 4.329) 6.254 22.797 ( 0.451 1.725 -2.748) 3.276 22.875 ( -0.989 -5.607 -1.071) 5.793 28.335 ( -0.191 0.218 -0.702) 0.759 28.341 ( -0.106 -0.353 -0.794) 0.875 28.562 ( -0.496 1.195 -0.078) 1.296 28.583 ( -4.369 -1.002 -0.323) 4.494 29.429 ( -1.440 1.741 10.680) 10.917 29.484 ( 0.913 -4.647 15.030) 15.759 30.609 ( 1.316 0.857 -0.659) 1.703 30.622 ( -0.260 -0.635 -0.165) 0.706 30.719 ( -2.105 6.464 -10.587) 12.582 30.834 ( -6.809 -5.387 -9.370) 12.774 31.031 ( -0.028 2.844 2.176) 3.581 31.079 ( 6.426 -1.784 2.505) 7.124 31.161 ( -1.120 0.930 -0.402) 1.510 31.208 ( -2.401 -3.509 0.639) 4.299 31.634 ( 2.148 2.536 4.374) 5.493 31.684 ( 4.253 -2.147 2.607) 5.431 31.988 ( -0.020 2.525 1.639) 3.011 32.038 ( -1.990 -2.658 3.821) 5.062 32.571 ( -2.617 7.164 3.203) 8.272 32.704 ( -3.432 -6.529 2.783) 7.884 32.942 ( 1.955 3.444 -0.651) 4.013 33.023 ( 1.715 -4.497 -2.330) 5.348 33.167 ( -4.420 4.455 -9.403) 11.304 33.219 ( -3.068 -0.999 -6.240) 7.025 33.708 ( 1.990 -0.266 3.597) 4.119 33.723 ( 1.329 -1.694 5.371) 5.786 34.286 ( 5.387 8.463 -6.107) 11.744 34.431 ( 4.982 -6.378 -7.202) 10.834 ======================= Grid point 62 (33/78) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 7.743 25.099 8.888) 27.729 1.692 ( 11.088 10.649 12.674) 19.924 1.900 ( 10.901 -10.065 5.328) 15.765 2.067 ( 12.286 -16.643 2.562) 20.844 2.123 ( 12.414 6.981 1.632) 14.335 2.254 ( 7.978 -3.198 2.468) 8.942 2.310 ( -2.975 11.083 13.622) 17.811 2.404 ( -0.385 4.413 3.317) 5.534 2.606 ( -3.391 -4.553 0.189) 5.680 2.648 ( -2.327 -5.819 2.555) 6.768 2.762 ( 3.907 6.420 5.088) 9.076 2.830 ( 2.833 -2.164 1.120) 3.737 2.902 ( -0.651 -1.077 -5.646) 5.785 3.036 ( 2.067 -3.256 0.277) 3.867 3.038 ( 1.080 2.965 0.041) 3.156 3.093 ( 4.892 -1.264 2.095) 5.470 3.201 ( -0.711 7.020 -1.236) 7.163 3.247 ( -3.928 1.037 -7.795) 8.791 3.294 ( -0.990 0.770 -2.303) 2.622 3.412 ( -0.993 -6.285 -6.637) 9.194 3.469 ( -1.564 5.971 2.765) 6.764 3.583 ( -0.689 -5.178 -0.606) 5.259 3.796 ( 4.949 -1.396 -8.066) 9.565 3.839 ( 7.873 -3.672 -3.383) 9.323 4.051 ( 1.716 6.018 -2.444) 6.719 4.146 ( -1.578 -4.849 -4.969) 7.119 4.423 ( -7.831 1.661 3.359) 8.681 4.454 ( -7.261 1.336 -4.028) 8.410 4.561 ( -2.270 -2.165 5.706) 6.511 4.654 ( -0.240 -9.491 3.776) 10.218 4.881 ( 8.677 -0.071 4.304) 9.686 4.934 ( 1.480 -3.907 3.099) 5.202 5.137 ( 6.681 1.201 -0.741) 6.829 5.169 ( 4.201 -1.394 5.203) 6.831 5.501 ( -0.675 6.426 0.213) 6.465 5.590 ( 4.896 -2.531 0.986) 5.599 5.720 ( -1.099 5.903 -0.095) 6.005 5.821 ( -5.408 -2.924 0.221) 6.152 6.004 ( 4.572 12.189 2.894) 13.336 6.088 ( -5.044 6.647 -4.538) 9.498 6.152 ( -11.849 -0.721 -6.225) 13.404 6.276 ( 3.975 -6.893 6.524) 10.290 6.369 ( -2.244 8.792 0.982) 9.127 6.501 ( -0.770 3.230 -3.340) 4.710 6.516 ( 0.705 -1.856 -8.647) 8.872 6.594 ( -9.934 -2.997 -5.495) 11.742 6.657 ( 11.218 3.980 -3.248) 12.338 6.837 ( 10.026 -10.121 3.257) 14.614 6.941 ( 1.788 3.694 -1.199) 4.275 7.042 ( 1.665 -6.759 -1.273) 7.076 7.191 ( 0.251 6.260 -10.674) 12.377 7.364 ( 6.201 -7.808 -1.112) 10.032 7.420 ( 2.681 -1.846 3.588) 4.844 7.487 ( -1.330 -8.196 2.644) 8.714 7.623 ( 2.487 -4.606 0.408) 5.250 7.672 ( -3.358 -10.841 -5.770) 12.732 8.286 ( -7.119 5.492 4.465) 10.039 8.376 ( -9.682 -2.339 2.882) 10.369 8.645 ( -1.415 1.980 -0.274) 2.449 8.741 ( -1.521 -6.114 0.583) 6.328 9.028 ( 3.009 1.940 3.159) 4.775 9.054 ( 2.185 -0.061 1.938) 2.921 9.512 ( -2.438 4.826 3.072) 6.219 9.598 ( -2.446 -3.653 1.422) 4.621 9.809 ( -3.432 5.188 -4.933) 7.939 9.853 ( -0.571 2.459 -3.836) 4.592 9.995 ( 7.665 6.405 -2.461) 10.288 10.091 ( 4.660 -4.700 3.129) 7.321 10.312 ( -5.677 11.133 -0.773) 12.521 10.433 ( -10.470 -3.187 -0.597) 10.961 10.653 ( -4.289 8.003 5.646) 10.692 10.843 ( -3.695 -2.885 4.565) 6.543 10.965 ( -4.336 -2.181 0.774) 4.915 11.059 ( -7.154 -8.218 3.693) 11.504 11.403 ( -3.133 7.950 4.619) 9.714 11.488 ( 1.091 -0.983 3.002) 3.342 11.669 ( -5.790 0.827 0.923) 5.921 11.745 ( -1.910 -6.852 -2.182) 7.440 11.917 ( -6.844 7.567 -0.610) 10.222 12.052 ( -4.509 -5.828 -2.513) 7.786 12.196 ( -1.936 8.466 -3.612) 9.406 12.295 ( -4.257 -0.311 1.843) 4.649 12.299 ( -1.022 2.147 2.414) 3.388 12.385 ( 0.802 -7.928 -1.951) 8.203 12.631 ( 6.994 5.235 3.834) 9.540 12.699 ( 6.964 -0.936 1.595) 7.206 12.830 ( 15.102 9.186 -2.943) 17.920 13.044 ( 13.601 -8.607 -1.569) 16.171 13.123 ( 8.317 0.227 -1.905) 8.536 13.144 ( 18.372 -4.904 -6.527) 20.104 13.769 ( 5.865 0.810 -0.616) 5.953 13.867 ( 5.773 -7.596 -5.370) 10.948 14.025 ( 5.695 2.365 2.705) 6.734 14.095 ( 5.429 -5.572 2.581) 8.197 14.709 ( -0.457 6.079 -11.383) 12.913 14.809 ( 1.169 -4.503 -11.993) 12.863 15.771 ( -1.727 2.071 -1.176) 2.942 15.812 ( -5.998 -2.060 -5.795) 8.591 17.524 ( -5.972 3.264 7.522) 10.144 17.624 ( -4.099 -6.454 6.370) 9.952 18.267 ( -10.053 14.386 7.099) 18.932 18.519 ( -14.016 -11.847 5.830) 19.255 18.840 ( 0.609 18.457 2.309) 18.611 19.151 ( 0.499 -14.318 3.688) 14.793 20.117 ( -8.762 6.962 -10.271) 15.190 20.249 ( -0.145 -7.002 -10.117) 12.305 21.304 ( 15.453 3.638 -2.341) 16.047 21.359 ( 12.503 -1.286 -4.353) 13.301 21.901 ( -2.151 2.349 4.237) 5.301 21.933 ( -3.325 -1.112 6.642) 7.511 22.001 ( -1.973 5.259 2.616) 6.196 22.127 ( -3.404 -7.393 2.263) 8.447 22.618 ( -2.429 7.642 -1.161) 8.103 22.761 ( 0.485 -6.134 -1.453) 6.322 22.838 ( 0.725 -0.457 0.090) 0.862 22.862 ( 4.947 -2.027 3.563) 6.425 28.356 ( 3.402 0.209 -0.993) 3.551 28.362 ( 3.654 -0.322 -1.152) 3.845 28.631 ( 7.800 0.963 -0.312) 7.865 28.647 ( 8.758 -0.561 -1.070) 8.841 29.520 ( -1.381 5.339 11.198) 12.482 29.651 ( 0.682 -8.858 12.867) 15.636 30.561 ( -4.551 1.608 -5.000) 6.950 30.584 ( -4.379 -2.090 -3.062) 5.738 30.614 ( -0.912 0.584 -3.505) 3.668 30.640 ( -1.703 -1.729 -5.406) 5.926 30.931 ( -8.163 8.334 -1.008) 11.709 31.089 ( -7.197 -7.594 -2.310) 10.714 31.210 ( 4.505 1.266 2.830) 5.469 31.249 ( 5.078 -2.826 2.257) 6.234 31.733 ( 4.288 5.451 3.649) 7.837 31.820 ( 5.296 -2.716 3.360) 6.835 32.017 ( 3.390 1.751 -1.744) 4.195 32.056 ( 0.155 -2.325 2.123) 3.152 32.535 ( -5.016 5.844 4.272) 8.807 32.643 ( -5.743 -5.000 1.827) 7.831 32.969 ( -0.680 3.398 0.469) 3.497 33.030 ( 0.390 4.439 -3.859) 5.895 33.038 ( 1.206 -3.139 -2.499) 4.189 33.121 ( -1.321 -3.294 -4.417) 5.666 33.743 ( -0.840 1.525 0.233) 1.757 33.775 ( -0.333 -1.922 2.445) 3.127 34.250 ( -2.020 8.940 -4.449) 10.188 34.411 ( 1.331 -7.763 -5.693) 9.718 ======================= Grid point 63 (34/78) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 1.108 15.157 6.964) 16.717 1.774 ( -2.856 3.690 3.393) 5.769 2.048 ( 1.234 -1.594 -1.148) 2.320 2.197 ( 3.877 -8.745 4.184) 10.441 2.275 ( -4.353 6.934 1.045) 8.254 2.364 ( 5.046 -1.578 -2.329) 5.778 2.391 ( 2.510 6.937 6.621) 9.913 2.481 ( -0.816 0.383 0.315) 0.955 2.535 ( 4.248 -3.947 -0.594) 5.829 2.624 ( -4.285 -14.279 3.979) 15.430 2.833 ( -1.142 3.172 2.548) 4.226 2.893 ( 2.702 -3.448 1.073) 4.510 2.964 ( 4.273 8.087 7.663) 11.932 3.032 ( -0.669 2.270 0.603) 2.442 3.099 ( -2.071 2.638 -3.923) 5.161 3.138 ( 8.230 1.099 -1.157) 8.384 3.213 ( 8.073 -3.092 -1.035) 8.706 3.273 ( 0.508 -8.216 7.538) 11.162 3.487 ( 8.318 3.540 -0.772) 9.073 3.498 ( 13.286 8.851 0.218) 15.966 3.545 ( 7.712 -1.211 2.475) 8.190 3.624 ( 9.333 -3.268 1.474) 9.997 3.945 ( 11.534 1.526 3.029) 12.022 3.996 ( 16.153 -5.396 -1.490) 17.096 4.078 ( 7.742 -0.247 -0.099) 7.747 4.109 ( 3.721 -1.928 -1.239) 4.370 4.232 ( -8.980 -0.727 -4.752) 10.186 4.287 ( -4.818 -5.614 -4.742) 8.787 4.602 ( 1.298 1.858 7.113) 7.465 4.684 ( 1.513 -4.537 5.088) 6.983 5.020 ( -5.375 4.170 2.143) 7.132 5.066 ( 0.091 -2.796 -0.333) 2.817 5.126 ( -0.188 9.067 -3.112) 9.588 5.209 ( -4.186 0.212 2.290) 4.777 5.441 ( 1.554 2.424 -5.183) 5.929 5.497 ( -2.735 -2.002 -9.215) 9.818 5.722 ( -6.182 10.030 -4.243) 12.523 5.866 ( 6.618 1.623 4.953) 8.424 5.873 ( -6.899 5.782 -8.909) 12.665 6.065 ( -1.931 8.376 2.763) 9.029 6.110 ( -0.259 -7.700 -0.042) 7.705 6.206 ( 6.239 -2.983 3.453) 7.729 6.321 ( -7.033 -6.621 -6.702) 11.757 6.389 ( 2.405 -12.023 0.394) 12.267 6.544 ( 5.208 4.102 -1.721) 6.849 6.582 ( 7.338 11.766 3.368) 14.269 6.795 ( 4.396 -4.626 -6.471) 9.089 6.981 ( 0.359 6.051 0.749) 6.108 7.011 ( 3.910 -12.850 -3.389) 13.853 7.058 ( 4.274 -0.269 2.254) 4.840 7.266 ( 8.511 6.205 3.185) 11.004 7.409 ( -1.744 -9.280 3.483) 10.065 7.428 ( 0.156 1.336 -1.099) 1.737 7.523 ( 0.295 -8.822 -6.374) 10.888 7.637 ( 6.429 -1.677 1.040) 6.725 7.728 ( 3.983 -8.825 4.636) 10.735 8.155 ( -11.939 2.043 3.693) 12.663 8.200 ( -12.651 -2.330 2.527) 13.109 8.569 ( -5.696 2.345 -2.362) 6.597 8.655 ( -6.692 -4.499 -1.613) 8.223 9.032 ( -5.156 4.004 -0.617) 6.558 9.069 ( -1.835 -0.780 1.140) 2.297 9.442 ( -10.837 4.879 7.382) 13.991 9.503 ( -9.100 -0.918 1.555) 9.277 9.740 ( 1.999 5.514 -6.758) 8.948 9.803 ( 1.971 0.731 -6.736) 7.056 10.083 ( 4.738 6.356 -5.834) 9.843 10.187 ( 2.280 -4.118 -2.016) 5.121 10.218 ( -0.130 1.844 0.413) 1.895 10.243 ( -6.554 -2.197 1.265) 7.027 10.676 ( -1.681 12.241 7.095) 14.248 10.823 ( -2.574 7.364 2.123) 8.084 10.952 ( 1.211 -9.929 -0.425) 10.011 10.999 ( -4.695 -10.570 3.944) 12.220 11.341 ( -6.402 7.425 1.169) 9.874 11.471 ( -7.786 -5.444 -0.005) 9.501 11.640 ( -3.414 4.618 6.899) 8.977 11.703 ( -2.080 2.076 6.842) 7.446 11.811 ( -5.909 1.629 0.268) 6.136 11.951 ( -3.554 -8.746 -3.120) 9.943 12.102 ( -7.398 10.622 -1.695) 13.055 12.240 ( -7.618 -0.636 2.497) 8.042 12.292 ( 7.709 0.482 -1.906) 7.956 12.383 ( 4.267 -9.967 -5.190) 12.020 12.785 ( 3.969 4.845 4.170) 7.525 12.807 ( 7.416 1.735 2.362) 7.975 13.075 ( 10.254 8.709 -4.003) 14.036 13.175 ( 8.523 -0.929 -0.316) 8.579 13.312 ( 16.604 5.203 -1.678) 17.481 13.481 ( 19.110 -9.999 -5.717) 22.312 13.846 ( 6.880 2.209 -3.523) 8.039 13.997 ( 12.164 -14.221 -4.960) 19.360 14.196 ( 8.622 0.702 5.256) 10.122 14.233 ( 6.485 -3.223 3.494) 8.040 14.618 ( 1.403 4.911 -7.865) 9.378 14.708 ( 0.771 -4.389 -10.163) 11.097 15.651 ( -6.606 3.867 -3.401) 8.376 15.715 ( -3.842 -3.140 -0.329) 4.973 17.352 ( -14.378 9.723 -0.541) 17.365 17.565 ( -8.694 -12.393 2.743) 15.386 18.228 ( -4.941 9.007 9.571) 14.041 18.388 ( -8.303 -7.636 6.800) 13.172 18.902 ( 0.625 17.658 5.967) 18.650 19.180 ( -1.805 -11.719 2.632) 12.146 19.846 ( -9.069 11.952 -9.268) 17.635 20.118 ( -2.622 -16.708 -8.479) 18.919 21.504 ( 11.334 8.710 -5.140) 15.190 21.590 ( 14.993 -1.243 -2.950) 15.330 21.897 ( -2.405 0.732 2.961) 3.884 21.924 ( -1.611 -1.631 0.903) 2.464 21.998 ( -2.885 2.392 5.963) 7.042 22.081 ( -4.617 -5.536 3.586) 8.051 22.580 ( 0.399 7.126 -1.647) 7.325 22.728 ( -0.207 -8.139 -2.618) 8.552 22.872 ( 1.746 5.882 0.236) 6.141 22.974 ( 3.165 -4.764 2.413) 6.208 28.427 ( 5.516 0.361 -0.735) 5.577 28.434 ( 5.659 -0.345 -1.085) 5.772 28.762 ( 6.459 1.638 -0.298) 6.670 28.798 ( 8.143 -2.110 0.870) 8.456 29.590 ( -2.035 7.322 7.931) 10.985 29.736 ( -1.967 -8.043 6.322) 10.418 30.420 ( -5.183 2.061 -4.877) 7.409 30.467 ( -2.461 0.835 -3.926) 4.709 30.591 ( -0.775 -1.826 1.506) 2.491 30.616 ( -0.447 -2.701 -1.029) 2.925 30.813 ( -3.710 4.024 -0.314) 5.482 30.933 ( -6.660 -7.872 -2.338) 10.573 31.301 ( 2.341 1.701 2.724) 3.974 31.330 ( 2.137 -0.991 1.340) 2.710 31.813 ( -0.879 6.624 4.197) 7.890 31.895 ( 0.128 -0.651 2.347) 2.439 32.066 ( 6.484 0.909 -6.185) 9.006 32.083 ( 4.472 -1.439 -4.143) 6.263 32.519 ( -3.035 2.718 7.492) 8.528 32.570 ( -4.733 -2.635 2.875) 6.133 32.900 ( -5.390 7.075 0.664) 8.919 32.998 ( -3.433 -4.079 -1.884) 5.654 33.078 ( 3.628 0.841 1.168) 3.904 33.134 ( 4.428 -4.815 0.410) 6.554 33.697 ( -1.613 2.795 -4.110) 5.226 33.748 ( -2.134 -2.718 -2.517) 4.274 34.178 ( -1.879 11.336 -2.073) 11.676 34.384 ( 1.234 -10.141 -3.961) 10.957 ======================= Grid point 64 (35/78) ======================= q-point: ( 0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -9.492 6.356 4.733) 12.365 1.745 ( -7.664 -8.043 5.198) 12.266 2.047 ( 2.186 11.208 -0.966) 11.460 2.223 ( -0.809 4.552 -4.320) 6.328 2.270 ( -1.627 -4.081 -5.526) 7.060 2.296 ( 0.336 -7.098 -4.033) 8.170 2.451 ( 0.429 -4.376 2.477) 5.047 2.514 ( 3.993 4.314 10.006) 11.605 2.599 ( -4.708 -3.757 8.923) 10.766 2.701 ( 4.484 -2.026 5.482) 7.366 2.801 ( -2.092 6.316 -1.197) 6.760 2.891 ( -3.062 -5.155 -0.251) 6.002 3.002 ( 0.441 1.330 0.205) 1.416 3.050 ( 1.141 -1.804 1.312) 2.505 3.177 ( 2.015 6.760 5.828) 9.150 3.276 ( 1.024 1.632 1.914) 2.716 3.298 ( 5.170 -1.548 1.988) 5.752 3.335 ( -0.693 -3.337 3.142) 4.636 3.604 ( 2.027 11.924 -4.445) 12.886 3.607 ( 9.054 6.536 -2.799) 11.512 3.726 ( 11.444 -6.529 2.360) 13.386 3.849 ( 7.954 -10.234 -3.300) 13.375 4.022 ( -0.273 6.172 -3.728) 7.216 4.116 ( 2.010 -2.661 4.128) 5.306 4.123 ( 0.649 -5.225 4.819) 7.137 4.200 ( 9.621 -6.624 -0.768) 11.706 4.333 ( 4.521 2.247 8.183) 9.615 4.416 ( 5.855 -6.603 9.400) 12.893 4.680 ( -10.396 3.521 -8.250) 13.730 4.726 ( -15.706 1.256 -14.681) 21.535 4.851 ( 13.386 4.693 5.451) 15.197 4.942 ( 13.150 -5.646 3.297) 14.686 5.171 ( -3.843 4.221 -2.804) 6.360 5.225 ( -1.282 -1.582 -2.911) 3.553 5.394 ( 7.415 7.615 -5.211) 11.838 5.435 ( 5.630 3.740 -9.080) 11.319 5.594 ( 5.057 4.572 -0.161) 6.819 5.698 ( -2.888 6.921 1.254) 7.603 5.967 ( -5.360 7.541 2.174) 9.504 6.106 ( 1.728 -8.824 4.172) 9.912 6.186 ( -1.703 -8.288 0.938) 8.513 6.214 ( -2.125 -5.268 5.003) 7.570 6.414 ( 9.555 2.082 -3.385) 10.348 6.492 ( 14.135 -4.264 1.854) 14.880 6.631 ( 6.518 4.409 -1.746) 8.061 6.730 ( -0.624 3.156 -3.817) 4.992 6.822 ( -1.262 -1.035 1.682) 2.344 6.863 ( 3.032 -1.787 2.833) 4.518 7.031 ( -6.997 1.072 -1.163) 7.174 7.095 ( 3.597 -4.157 -0.793) 5.554 7.280 ( -7.806 0.485 -1.629) 7.989 7.335 ( -6.861 -5.168 -0.392) 8.599 7.451 ( -1.815 -0.973 0.574) 2.137 7.495 ( -2.533 -3.714 4.201) 6.153 7.734 ( 4.416 1.851 1.512) 5.021 7.873 ( 4.514 -10.820 1.542) 11.824 8.037 ( -3.335 -0.592 3.618) 4.957 8.045 ( -6.130 -2.502 1.116) 6.714 8.420 ( -4.852 3.875 -6.690) 9.128 8.512 ( -5.826 -3.948 -3.377) 7.806 8.925 ( -4.573 4.672 0.829) 6.590 9.010 ( -4.227 -5.093 0.180) 6.621 9.310 ( -10.046 4.242 1.257) 10.977 9.342 ( -10.149 0.617 1.221) 10.241 9.716 ( 2.829 7.674 -6.868) 10.680 9.793 ( 2.855 0.293 -4.037) 4.953 10.062 ( 2.325 5.906 -6.448) 9.047 10.099 ( 0.170 2.266 -6.484) 6.871 10.291 ( 4.689 -0.890 3.139) 5.713 10.334 ( 4.015 -6.961 6.374) 10.257 10.730 ( 0.872 9.762 4.851) 10.936 10.820 ( -0.271 8.432 3.124) 8.997 10.953 ( -4.202 -11.896 2.948) 12.956 10.974 ( 0.619 -6.615 0.778) 6.689 11.258 ( -4.665 4.907 2.400) 7.183 11.338 ( -7.778 -1.350 2.355) 8.238 11.594 ( -4.982 5.641 2.138) 7.824 11.696 ( -8.498 -3.196 3.503) 9.731 11.762 ( -0.560 4.337 3.725) 5.745 11.892 ( -0.139 -9.209 -2.049) 9.435 11.956 ( -6.802 10.060 -0.745) 12.167 12.105 ( -8.844 -4.113 2.322) 10.026 12.462 ( 9.832 -0.958 -2.779) 10.262 12.475 ( 11.512 -3.065 -3.758) 12.492 12.858 ( -0.197 5.549 3.468) 6.547 12.941 ( 2.420 -2.983 3.804) 5.406 13.151 ( 4.785 9.180 -3.164) 10.825 13.291 ( 6.333 -3.878 -2.936) 7.985 13.583 ( 11.950 4.352 2.170) 12.902 13.658 ( 5.110 -3.773 0.656) 6.386 13.965 ( 11.962 2.591 -6.143) 13.694 14.104 ( 8.499 -11.145 -9.955) 17.191 14.336 ( 0.744 2.261 3.259) 4.036 14.397 ( 5.054 -4.124 7.183) 9.703 14.610 ( 5.270 2.712 -3.761) 7.019 14.667 ( 4.119 -2.820 -4.766) 6.902 15.532 ( -3.718 5.652 -1.529) 6.936 15.644 ( -3.520 -6.352 -0.360) 7.271 17.113 ( -10.207 14.136 -1.779) 17.526 17.410 ( -8.443 -16.674 -1.693) 18.767 18.242 ( -3.996 5.947 6.387) 9.598 18.340 ( -4.922 -4.320 4.084) 7.718 18.943 ( -1.673 13.101 3.028) 13.550 19.134 ( -3.462 -7.460 -1.932) 8.449 19.688 ( -1.756 14.274 -0.922) 14.411 20.031 ( -0.756 -21.263 -1.756) 21.349 21.566 ( 4.708 12.404 -9.665) 16.415 21.719 ( 4.114 -4.331 -7.263) 9.404 21.901 ( 3.216 0.922 0.051) 3.346 21.935 ( 2.195 -2.791 -0.790) 3.637 22.016 ( -5.042 1.656 10.855) 12.083 22.067 ( -2.963 -3.240 7.025) 8.285 22.590 ( 2.256 5.666 -2.340) 6.532 22.717 ( 1.700 -7.450 -2.437) 8.021 22.881 ( 0.180 7.529 -1.528) 7.684 23.013 ( 0.464 -5.864 -0.857) 5.945 28.517 ( 4.674 0.291 0.287) 4.692 28.520 ( 4.578 -0.060 0.000) 4.578 28.839 ( 1.827 3.148 1.691) 4.013 28.915 ( 3.244 -4.797 1.885) 6.090 29.610 ( -2.523 7.178 4.169) 8.676 29.743 ( -1.801 -7.057 3.051) 7.897 30.303 ( -2.198 7.802 -5.549) 9.823 30.412 ( -1.609 1.654 0.847) 2.458 30.591 ( -1.353 -3.520 -0.540) 3.809 30.616 ( 0.267 -4.777 3.740) 6.073 30.784 ( -0.638 -1.216 -0.125) 1.379 30.846 ( -2.148 -6.655 1.135) 7.084 31.340 ( 0.443 2.056 -1.039) 2.346 31.360 ( 0.707 0.091 1.045) 1.265 31.788 ( -4.398 7.174 1.880) 8.622 31.882 ( -3.091 -1.993 1.427) 3.945 32.111 ( 4.677 2.005 -3.511) 6.182 32.138 ( 8.564 -0.663 -7.243) 11.236 32.553 ( -1.536 1.381 4.109) 4.599 32.570 ( -1.764 1.085 8.587) 8.833 32.809 ( -6.535 6.341 1.880) 9.297 32.910 ( -3.941 -6.092 -1.738) 7.461 33.140 ( 1.669 1.803 0.998) 2.652 33.220 ( 3.028 -6.999 0.870) 7.676 33.629 ( 0.443 4.263 -5.088) 6.653 33.700 ( 0.678 -3.309 -2.454) 4.175 34.137 ( -0.659 12.589 -2.553) 12.862 34.368 ( 1.452 -11.482 -4.147) 12.294 ======================= Grid point 65 (36/78) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -2.598 4.935 4.490) 7.159 1.672 ( -3.528 -10.655 4.770) 12.195 2.061 ( 2.294 11.457 -5.495) 12.912 2.189 ( 2.158 2.106 -3.757) 4.818 2.228 ( -1.556 -0.088 4.082) 4.369 2.298 ( 0.144 -8.542 -3.096) 9.086 2.461 ( -2.576 3.667 5.839) 7.361 2.612 ( -4.186 -2.316 8.530) 9.780 2.700 ( -3.055 6.036 1.011) 6.840 2.734 ( 6.085 3.569 6.497) 9.590 2.790 ( -6.285 -3.992 4.152) 8.525 2.877 ( 1.434 -2.099 4.562) 5.223 2.962 ( -4.710 3.910 -4.097) 7.366 3.021 ( -1.681 -3.495 -2.113) 4.416 3.242 ( 0.732 3.607 0.079) 3.681 3.281 ( -3.759 -0.411 7.592) 8.481 3.322 ( -0.059 1.973 -1.171) 2.295 3.365 ( -1.043 0.866 2.778) 3.091 3.538 ( -1.869 8.866 -9.124) 12.859 3.707 ( 1.055 4.488 -2.471) 5.231 3.792 ( -0.021 -13.005 -6.154) 14.388 3.848 ( 3.219 -9.025 -3.173) 10.094 4.004 ( -7.311 4.410 1.395) 8.651 4.051 ( -5.587 -2.211 2.363) 6.457 4.152 ( -0.124 -0.426 -0.988) 1.083 4.294 ( 7.023 -9.089 0.588) 11.501 4.414 ( -7.419 -0.531 -2.017) 7.707 4.463 ( -2.455 -5.072 -0.690) 5.677 4.701 ( 12.907 0.581 8.847) 15.659 4.713 ( 11.830 -0.446 12.586) 17.278 4.881 ( -7.481 5.928 -7.933) 12.411 4.965 ( -5.920 -1.579 -5.757) 8.407 5.099 ( -2.888 1.587 -6.585) 7.363 5.150 ( -2.124 -2.037 -0.715) 3.029 5.496 ( 8.597 6.021 -6.357) 12.271 5.573 ( 8.501 -2.101 -2.360) 9.069 5.776 ( 0.711 11.861 8.471) 14.593 5.799 ( -0.025 12.612 7.573) 14.711 5.897 ( 4.936 5.975 6.768) 10.289 6.031 ( -3.665 -9.572 -3.214) 10.742 6.139 ( -2.271 -1.594 1.335) 3.079 6.230 ( -5.829 -14.792 2.224) 16.054 6.540 ( 8.577 6.545 -4.432) 11.664 6.570 ( -3.393 7.970 -4.619) 9.817 6.738 ( -5.926 5.965 4.781) 9.672 6.767 ( 10.508 -3.569 -1.372) 11.182 6.836 ( 8.395 -8.820 6.035) 13.590 6.880 ( -1.782 -5.574 1.173) 5.968 7.012 ( -11.590 2.664 1.782) 12.025 7.112 ( 2.721 -4.416 0.989) 5.281 7.177 ( 3.946 -0.539 1.915) 4.419 7.211 ( 1.345 -3.356 0.372) 3.634 7.388 ( -4.030 2.911 -1.464) 5.182 7.465 ( -5.266 -5.109 0.233) 7.341 7.794 ( -0.503 3.213 -3.031) 4.446 7.882 ( -1.480 -6.326 -0.437) 6.511 7.968 ( 0.358 -1.324 -1.694) 2.180 8.043 ( -4.976 -6.709 0.319) 8.359 8.351 ( 5.288 4.664 -4.278) 8.247 8.464 ( 5.720 -5.878 -1.860) 8.410 8.926 ( 0.315 1.632 4.632) 4.922 8.974 ( 0.657 -4.152 -0.004) 4.204 9.136 ( -7.629 4.964 -2.822) 9.529 9.211 ( -4.126 -1.752 -2.278) 5.028 9.687 ( 2.211 9.785 -7.556) 12.558 9.800 ( 2.688 -1.929 -4.451) 5.546 10.042 ( 1.977 5.917 -5.281) 8.174 10.071 ( 4.224 2.966 -7.742) 9.305 10.423 ( 3.501 0.691 7.240) 8.072 10.458 ( 1.190 -3.694 8.678) 9.506 10.759 ( -3.027 7.207 3.159) 8.431 10.860 ( -5.372 -0.617 6.604) 8.535 10.941 ( 4.198 -2.692 1.835) 5.314 11.021 ( 3.347 -6.002 1.521) 7.038 11.233 ( -3.150 2.651 5.130) 6.578 11.260 ( -3.100 1.638 3.229) 4.767 11.540 ( -3.160 2.574 0.447) 4.100 11.602 ( -4.747 -3.538 0.978) 6.001 11.765 ( -1.725 5.741 1.816) 6.263 11.877 ( -0.164 1.651 -0.402) 1.708 11.913 ( 2.613 -2.311 0.184) 3.493 12.028 ( -1.920 -4.380 2.125) 5.234 12.555 ( 4.641 2.009 -3.695) 6.263 12.589 ( 3.643 -1.701 -2.578) 4.776 12.840 ( -4.982 5.583 2.266) 7.818 12.940 ( -5.501 -4.876 2.039) 7.628 13.193 ( 2.677 8.419 -2.589) 9.206 13.326 ( 1.373 -4.219 -3.901) 5.908 13.682 ( -3.274 1.195 1.730) 3.891 13.721 ( 0.291 -2.880 4.276) 5.164 14.102 ( 9.204 -1.495 -5.303) 10.727 14.118 ( 5.001 -1.631 -8.368) 9.884 14.316 ( -4.522 6.033 1.407) 7.670 14.484 ( -2.067 -10.982 3.926) 11.845 14.712 ( 5.446 2.254 2.811) 6.530 14.746 ( 5.689 -0.679 2.062) 6.090 15.507 ( 1.750 5.022 0.102) 5.319 15.603 ( -0.091 -5.340 -0.911) 5.418 17.004 ( 0.468 12.748 -2.116) 12.931 17.270 ( -2.636 -14.602 -6.531) 16.212 18.193 ( -6.852 4.464 2.381) 8.517 18.275 ( -5.536 -4.385 1.534) 7.227 18.920 ( -0.503 11.569 -2.075) 11.765 19.085 ( 3.022 -6.070 -3.914) 7.829 19.748 ( 2.648 12.620 7.897) 15.121 20.061 ( 2.243 -19.907 4.333) 20.496 21.506 ( 2.919 10.992 -13.089) 17.340 21.659 ( 2.261 -5.766 -11.266) 12.856 21.945 ( -1.541 -0.044 1.552) 2.188 21.950 ( -0.820 -0.549 1.394) 1.708 22.055 ( -3.349 2.511 10.371) 11.184 22.104 ( -1.794 -2.004 7.418) 7.891 22.587 ( 0.754 6.072 -3.799) 7.203 22.724 ( 1.735 -8.121 -2.476) 8.665 22.856 ( -0.083 7.020 -3.120) 7.683 22.980 ( -1.297 -5.611 -3.855) 6.930 28.576 ( 0.548 0.566 1.594) 1.778 28.582 ( 1.305 -0.129 1.420) 1.933 28.869 ( -0.587 2.903 2.956) 4.184 28.946 ( -1.222 -5.038 1.372) 5.363 29.596 ( -3.363 7.880 2.665) 8.972 29.742 ( -2.115 -7.319 2.637) 8.062 30.250 ( 2.298 8.689 -4.199) 9.920 30.424 ( 1.942 -5.660 -0.720) 6.027 30.580 ( -0.327 2.023 3.015) 3.645 30.666 ( 0.253 -4.955 4.923) 6.989 30.777 ( 0.095 0.522 0.411) 0.671 30.867 ( 0.801 -8.406 4.080) 9.378 31.299 ( -1.540 4.008 -4.223) 6.022 31.360 ( -1.178 -2.280 -1.311) 2.882 31.743 ( -1.740 7.062 0.772) 7.314 31.847 ( -1.686 -3.606 0.293) 3.991 32.165 ( 4.513 3.524 -1.633) 5.954 32.224 ( 7.169 -1.907 -3.361) 8.144 32.531 ( -7.709 7.047 3.822) 11.122 32.616 ( -2.778 -0.335 8.067) 8.538 32.728 ( -2.929 6.691 0.124) 7.305 32.874 ( 2.681 -9.703 -1.011) 10.117 33.139 ( -1.492 2.079 -1.505) 2.969 33.213 ( -2.087 -6.117 -2.704) 7.006 33.652 ( 5.056 4.643 -0.561) 6.887 33.729 ( 2.800 -3.571 1.245) 4.706 34.095 ( 0.179 13.659 -4.986) 14.541 34.343 ( 1.385 -12.241 -5.804) 13.618 ======================= Grid point 66 (37/78) ======================= q-point: (-0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.102 9.497 5.230) 10.842 1.759 ( 2.794 -7.661 4.987) 9.558 2.016 ( 3.419 6.345 -7.056) 10.086 2.148 ( -3.525 -2.291 -4.809) 6.387 2.212 ( -5.068 3.847 5.525) 8.426 2.254 ( -2.957 -2.812 -1.245) 4.267 2.461 ( -8.284 9.558 3.131) 13.030 2.550 ( -4.903 2.586 5.352) 7.706 2.601 ( -5.600 2.558 -3.146) 6.914 2.693 ( -3.988 -5.655 0.358) 6.929 2.839 ( -4.630 8.251 1.393) 9.564 2.893 ( 0.516 1.555 -2.053) 2.627 2.950 ( 3.259 -1.534 8.666) 9.385 3.028 ( -0.205 -6.825 3.500) 7.673 3.247 ( 0.608 6.119 0.768) 6.197 3.277 ( -3.893 2.927 4.517) 6.643 3.295 ( -0.626 4.134 -2.201) 4.726 3.388 ( -0.719 -1.795 5.399) 5.735 3.448 ( -0.384 -1.747 -2.425) 3.013 3.538 ( -5.382 -6.157 -6.705) 10.575 3.782 ( -9.031 0.586 2.070) 9.284 3.835 ( -9.145 -6.200 2.394) 11.305 3.953 ( 6.282 -4.797 1.555) 8.055 4.023 ( -0.734 -5.417 2.990) 6.231 4.152 ( -0.570 2.061 -1.969) 2.907 4.243 ( -12.809 -2.516 -4.350) 13.759 4.409 ( -0.981 -1.605 7.488) 7.721 4.459 ( -4.035 -6.873 -0.148) 7.971 4.639 ( -9.089 -2.598 -2.652) 9.818 4.647 ( -8.051 -3.056 -3.501) 9.296 4.786 ( -1.141 1.746 -4.228) 4.715 4.845 ( -2.354 -4.967 -5.350) 7.670 5.140 ( 9.828 10.035 2.939) 14.350 5.239 ( 9.686 0.033 2.747) 10.068 5.493 ( -4.723 8.975 -2.783) 10.517 5.610 ( -3.674 -3.665 -3.518) 6.269 5.798 ( 0.507 9.355 3.692) 10.070 5.850 ( -8.087 11.068 -3.780) 14.219 5.944 ( -1.640 -1.395 1.796) 2.804 6.045 ( 1.620 -0.854 5.635) 5.926 6.162 ( -0.514 -9.279 -2.353) 9.586 6.210 ( 8.309 -6.216 6.474) 12.230 6.450 ( -5.221 5.284 1.367) 7.553 6.493 ( -5.480 4.438 -1.953) 7.318 6.672 ( -10.790 0.776 1.715) 10.953 6.746 ( -8.920 -3.067 2.726) 9.819 6.939 ( 6.474 6.165 2.279) 9.225 7.026 ( 3.627 -1.892 7.939) 8.931 7.063 ( 5.038 -6.010 3.122) 8.441 7.091 ( 1.960 -4.228 3.645) 5.916 7.186 ( -7.768 5.071 -7.775) 12.104 7.302 ( -6.708 -5.994 -5.852) 10.732 7.427 ( 12.542 3.351 1.304) 13.047 7.477 ( 17.684 -0.294 2.735) 17.897 7.670 ( -2.800 1.206 -2.600) 4.007 7.833 ( -6.621 -12.885 -1.656) 14.580 7.960 ( 1.526 -0.637 -1.584) 2.290 8.018 ( 5.884 -6.302 -0.398) 8.631 8.492 ( 9.159 4.586 2.554) 10.556 8.612 ( 7.980 -6.596 2.282) 10.602 8.958 ( 0.996 1.001 -3.479) 3.755 9.011 ( -3.394 2.756 -2.337) 4.957 9.042 ( 6.370 -0.322 -0.408) 6.391 9.162 ( 3.038 -5.200 -5.078) 7.877 9.661 ( 4.153 11.303 -6.876) 13.866 9.806 ( 3.709 -3.711 -4.737) 7.069 10.017 ( 2.350 7.602 -7.015) 10.607 10.073 ( 4.655 2.558 -6.825) 8.649 10.496 ( -3.735 0.684 4.677) 6.024 10.517 ( -3.830 -0.955 5.309) 6.616 10.732 ( -4.958 7.010 8.918) 12.380 10.829 ( -4.863 -2.694 8.868) 10.466 11.046 ( 2.684 -0.022 2.601) 3.738 11.081 ( 0.926 -3.754 1.103) 4.020 11.246 ( 0.958 4.537 4.382) 6.379 11.335 ( 4.833 -3.636 1.879) 6.333 11.507 ( 0.074 0.616 2.014) 2.108 11.542 ( -1.526 -3.450 -0.898) 3.878 11.777 ( 0.511 6.654 3.013) 7.322 11.914 ( 2.936 -2.673 1.783) 4.352 11.992 ( 6.250 0.091 0.029) 6.251 12.080 ( 5.556 -3.647 0.382) 6.657 12.538 ( -4.458 3.175 -0.389) 5.487 12.567 ( -2.031 1.326 -0.779) 2.548 12.752 ( -5.349 4.171 -1.250) 6.897 12.817 ( -9.204 -2.779 -0.520) 9.629 13.174 ( -1.159 3.954 -3.078) 5.143 13.255 ( -4.377 -3.877 -4.370) 7.300 13.584 ( -9.905 8.199 2.202) 13.046 13.743 ( -2.602 -8.465 3.759) 9.621 14.048 ( -4.804 4.224 -4.190) 7.647 14.139 ( -1.227 -0.248 -5.822) 5.955 14.260 ( -4.582 -1.539 3.356) 5.884 14.399 ( -10.439 -12.606 1.962) 16.484 14.816 ( 2.800 3.543 3.496) 5.711 14.877 ( 5.757 -2.436 2.989) 6.929 15.595 ( 7.529 2.882 1.345) 8.173 15.624 ( 3.866 -0.356 -1.918) 4.330 17.080 ( 9.308 4.629 -2.280) 10.643 17.185 ( 3.344 -5.839 -10.853) 12.770 18.093 ( -5.174 5.501 1.495) 7.698 18.220 ( -1.596 -7.592 2.489) 8.147 18.920 ( 1.669 14.038 0.564) 14.148 19.152 ( 6.579 -10.179 -1.449) 12.207 19.885 ( 3.891 11.981 6.840) 14.334 20.158 ( 3.628 -16.732 2.457) 17.296 21.441 ( 4.758 10.061 -11.516) 16.015 21.600 ( 4.467 -7.129 -12.177) 14.800 21.888 ( -7.263 1.708 2.667) 7.924 21.916 ( -7.133 -0.793 5.422) 8.995 22.072 ( -3.432 3.302 4.394) 6.479 22.140 ( -2.533 -2.918 5.955) 7.099 22.558 ( 1.025 8.889 -3.145) 9.485 22.732 ( 1.927 -8.875 -1.855) 9.269 22.824 ( 0.291 3.609 -3.288) 4.891 22.898 ( -2.477 -3.663 -5.357) 6.946 28.558 ( -4.359 1.186 1.511) 4.763 28.578 ( -3.882 -0.800 1.761) 4.337 28.890 ( -1.650 1.128 3.333) 3.886 28.929 ( -1.837 -2.572 3.094) 4.423 29.525 ( -7.003 8.330 0.700) 10.905 29.699 ( -6.236 -9.333 1.440) 11.316 30.305 ( 7.399 5.490 -2.062) 9.441 30.445 ( 3.953 -8.705 -4.010) 10.368 30.654 ( 2.295 3.141 6.568) 7.633 30.714 ( 0.115 -4.387 3.832) 5.826 30.815 ( 2.290 5.377 4.224) 7.211 30.952 ( 3.042 -8.739 5.966) 11.010 31.218 ( -1.526 4.282 -5.772) 7.347 31.298 ( -2.373 -3.827 -4.021) 6.037 31.732 ( -1.264 4.929 0.581) 5.121 31.821 ( -1.463 -4.136 -1.004) 4.500 32.205 ( 1.259 3.656 -4.194) 5.704 32.271 ( 0.076 -2.709 -2.929) 3.991 32.423 ( -6.955 10.960 6.135) 14.357 32.606 ( -4.786 -7.516 8.116) 12.053 32.777 ( 6.731 10.320 0.295) 12.325 32.960 ( 5.937 -9.643 0.328) 11.329 33.084 ( -0.843 3.560 -2.151) 4.244 33.153 ( -1.205 -3.702 -1.377) 4.129 33.732 ( 2.363 3.649 0.444) 4.370 33.790 ( 0.792 -2.534 2.982) 3.992 34.052 ( 2.954 14.014 -7.645) 16.235 34.304 ( 2.659 -12.352 -8.055) 14.984 ======================= Grid point 67 (38/78) ======================= q-point: (-0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -8.861 15.707 2.943) 18.273 1.707 ( -9.640 9.977 -0.476) 13.881 1.925 ( -9.421 -5.754 -4.664) 11.984 2.066 ( -13.179 -3.213 -3.210) 13.939 2.108 ( 1.834 7.924 -6.122) 10.180 2.274 ( 1.422 -5.777 0.781) 6.000 2.348 ( -4.838 6.549 -0.037) 8.142 2.475 ( -3.941 -3.987 -2.004) 5.954 2.527 ( -12.976 4.233 11.951) 18.142 2.609 ( -6.230 -0.677 7.008) 9.401 2.826 ( -2.080 -0.193 1.987) 2.882 2.876 ( -0.364 -2.384 -0.289) 2.429 2.951 ( -2.483 3.263 -1.517) 4.372 3.065 ( -3.284 -7.086 -1.372) 7.929 3.220 ( 2.109 9.956 3.405) 10.731 3.283 ( -1.098 0.600 0.054) 1.252 3.305 ( -2.274 4.867 3.338) 6.325 3.352 ( -3.977 -3.990 1.838) 5.926 3.467 ( -0.447 0.396 3.636) 3.685 3.538 ( -1.116 -0.145 5.092) 5.215 3.574 ( -9.084 0.791 4.484) 10.161 3.680 ( -13.527 -6.026 8.922) 17.288 3.907 ( -5.749 -0.138 -2.488) 6.266 3.991 ( -6.035 -7.164 1.216) 9.446 4.056 ( -1.478 2.165 -3.623) 4.472 4.164 ( 3.238 -6.051 -5.270) 8.653 4.372 ( 1.277 -2.404 3.787) 4.664 4.434 ( -1.635 -6.547 3.613) 7.655 4.613 ( 4.947 1.336 1.480) 5.334 4.672 ( 3.529 -5.112 -0.538) 6.235 4.827 ( 6.941 0.544 4.363) 8.217 4.863 ( 6.287 -2.368 5.089) 8.428 5.147 ( -10.055 5.533 -10.152) 15.322 5.193 ( -8.598 -1.795 -9.010) 12.583 5.475 ( 3.990 8.777 5.320) 11.012 5.518 ( 0.975 0.906 -10.962) 11.042 5.605 ( -12.173 2.935 -9.990) 16.019 5.732 ( -8.158 -6.790 2.789) 10.974 5.958 ( 0.564 6.208 1.298) 6.368 6.110 ( 6.542 -6.219 2.566) 9.384 6.253 ( 4.795 8.156 0.134) 9.462 6.298 ( -6.624 0.955 -1.440) 6.845 6.372 ( -5.979 1.100 3.720) 7.127 6.439 ( -3.896 -0.269 2.093) 4.430 6.552 ( 4.543 -1.413 2.142) 5.217 6.675 ( -1.981 -2.526 -2.436) 4.029 6.892 ( -6.666 3.540 1.587) 7.713 6.912 ( -7.404 -2.013 -3.608) 8.479 7.041 ( -0.979 4.434 -2.097) 5.001 7.126 ( -1.466 -2.109 -1.177) 2.825 7.236 ( 1.025 4.607 -2.970) 5.577 7.359 ( 5.548 -3.333 11.056) 12.811 7.573 ( -7.079 1.528 0.235) 7.246 7.620 ( 7.245 1.381 2.009) 7.644 7.711 ( -0.578 -10.048 8.030) 12.875 7.827 ( 5.037 -14.362 6.118) 16.403 8.058 ( 10.684 4.837 0.823) 11.757 8.175 ( 10.726 -5.317 2.105) 12.155 8.606 ( 0.470 0.694 -3.024) 3.138 8.687 ( -1.367 -5.266 -2.432) 5.959 8.914 ( 3.356 4.554 -7.616) 9.487 8.979 ( 4.826 -2.622 -5.310) 7.639 9.158 ( 8.118 -0.300 -0.932) 8.177 9.219 ( 7.071 -4.955 -1.591) 8.780 9.692 ( 5.649 10.630 -5.692) 13.316 9.810 ( 1.246 0.053 -4.150) 4.333 10.009 ( 6.524 8.137 -7.993) 13.140 10.112 ( 7.903 0.940 -6.058) 10.002 10.403 ( -9.074 1.758 2.258) 9.515 10.465 ( -6.211 -3.748 4.679) 8.632 10.770 ( -3.720 9.683 10.700) 14.903 10.877 ( -2.627 -0.714 12.066) 12.369 11.048 ( -2.278 -2.382 1.404) 3.582 11.095 ( -1.727 -2.107 1.969) 3.361 11.304 ( 0.088 3.607 2.895) 4.626 11.397 ( 5.437 -3.337 -2.934) 7.021 11.584 ( 5.300 0.766 4.263) 6.845 11.640 ( 9.046 -4.203 3.380) 10.532 11.832 ( 2.898 4.278 1.695) 5.438 11.971 ( 2.503 -8.552 -0.251) 8.915 12.135 ( 9.692 4.235 -0.819) 10.608 12.193 ( 6.873 -0.149 -0.165) 6.877 12.440 ( -9.105 3.672 4.488) 10.794 12.494 ( -9.371 -2.026 2.267) 9.852 12.621 ( -7.588 2.988 -3.763) 8.982 12.662 ( -1.912 -0.245 -5.113) 5.464 13.107 ( -5.880 0.404 -1.719) 6.139 13.120 ( -4.302 -0.929 -2.195) 4.918 13.369 ( -16.563 10.889 0.409) 19.826 13.626 ( -15.676 -15.879 -2.282) 22.429 13.889 ( -8.355 6.557 -1.514) 10.728 14.031 ( -4.164 -2.570 -3.635) 6.096 14.118 ( -10.804 0.327 0.392) 10.816 14.256 ( -9.553 -8.272 2.938) 12.974 14.887 ( 4.081 4.838 -1.010) 6.410 14.973 ( 4.044 -4.148 -2.035) 6.140 15.687 ( 5.904 5.292 -2.646) 8.359 15.785 ( 11.836 -4.583 1.603) 12.793 17.121 ( 4.593 6.808 -7.103) 10.858 17.276 ( 9.849 -8.800 -1.069) 13.251 18.102 ( 3.999 10.657 4.137) 12.111 18.305 ( 7.218 -9.848 4.445) 12.994 18.972 ( -0.196 14.151 5.724) 15.266 19.233 ( 0.093 -13.084 4.027) 13.690 20.021 ( 9.293 9.475 -1.618) 13.369 20.208 ( 4.724 -10.482 -6.477) 13.196 21.433 ( 1.935 6.317 -5.227) 8.424 21.521 ( -2.648 -2.186 -9.005) 9.637 21.800 ( -3.843 -0.087 2.307) 4.484 21.824 ( -6.868 -1.911 3.657) 8.012 22.041 ( -4.054 4.957 3.085) 7.108 22.137 ( -2.437 -4.746 2.966) 6.104 22.575 ( 2.576 9.664 -0.705) 10.026 22.729 ( -0.518 -5.385 -3.377) 6.377 22.792 ( -0.723 0.952 -3.427) 3.629 22.838 ( 1.577 -4.529 -0.450) 4.816 28.472 ( -6.127 1.069 0.499) 6.240 28.494 ( -6.539 -1.144 0.587) 6.664 28.832 ( -7.920 5.254 1.688) 9.653 28.953 ( -3.788 -7.078 6.343) 10.232 29.399 ( -6.749 4.424 0.766) 8.106 29.531 ( -12.981 -10.192 -0.092) 16.504 30.438 ( 9.477 3.174 -2.001) 10.193 30.506 ( 6.041 -3.734 -1.036) 7.177 30.734 ( 1.861 1.848 1.934) 3.258 30.786 ( 3.780 -3.945 4.629) 7.160 30.932 ( 3.307 7.105 6.526) 10.199 31.074 ( 3.576 -6.780 5.204) 9.265 31.144 ( -0.295 1.757 -4.764) 5.086 31.209 ( -2.348 -4.580 -5.193) 7.311 31.687 ( -4.359 4.132 -0.279) 6.012 31.762 ( -3.614 -3.253 -1.746) 5.167 32.101 ( -5.325 3.886 -4.457) 7.957 32.174 ( -5.945 -3.349 -2.651) 7.321 32.463 ( 1.110 10.514 7.283) 12.838 32.648 ( -0.594 -8.683 7.111) 11.239 32.888 ( 4.660 6.380 -1.343) 8.013 33.010 ( 2.719 -5.690 -3.038) 6.999 33.149 ( 5.123 3.024 4.546) 7.487 33.192 ( 5.520 -1.051 3.629) 6.689 33.711 ( -3.092 4.187 -2.199) 5.650 33.776 ( -4.367 -2.437 -0.683) 5.048 34.075 ( 9.023 13.105 -7.703) 17.678 34.299 ( 7.171 -10.492 -8.436) 15.254 ======================= Grid point 68 (39/78) ======================= q-point: (-0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -25.098 22.852 2.763) 34.055 1.464 ( -10.298 30.419 -7.170) 32.905 1.712 ( -10.469 -20.969 0.971) 23.457 1.832 ( -8.537 0.721 9.010) 12.433 2.068 ( -2.275 3.534 -3.195) 5.280 2.224 ( -1.816 -3.389 -2.867) 4.796 2.301 ( -8.052 0.871 10.276) 13.083 2.423 ( -2.044 -9.961 -0.971) 10.215 2.479 ( -1.622 3.902 6.983) 8.162 2.556 ( -3.946 -4.220 5.826) 8.206 2.781 ( -2.566 2.195 0.212) 3.383 2.829 ( -4.954 -0.627 -2.671) 5.663 2.958 ( -4.518 0.644 0.300) 4.574 2.969 ( 0.131 -0.849 3.362) 3.470 3.175 ( -8.664 -2.075 -1.744) 9.078 3.211 ( -7.362 -3.413 -1.374) 8.230 3.301 ( -1.179 4.440 3.440) 5.739 3.347 ( -1.427 0.799 2.948) 3.371 3.515 ( -4.404 6.799 3.823) 8.957 3.535 ( 2.436 1.247 1.391) 3.070 3.583 ( 1.335 2.810 1.804) 3.596 3.640 ( 4.978 1.112 6.225) 8.047 3.837 ( -3.744 3.870 -6.232) 8.236 3.970 ( 0.399 9.393 0.450) 9.412 3.997 ( -1.182 -11.002 -0.173) 11.066 4.180 ( 1.714 -10.246 1.746) 10.534 4.420 ( -0.167 0.076 3.053) 3.059 4.472 ( 4.585 -7.256 -0.476) 8.597 4.716 ( -6.041 3.064 -3.635) 7.688 4.807 ( 3.558 -2.989 7.926) 9.188 4.818 ( -3.775 2.349 -0.086) 4.447 4.898 ( -8.524 -8.744 -6.600) 13.881 5.055 ( 6.279 5.259 -4.240) 9.222 5.155 ( 8.480 -3.382 -2.093) 9.367 5.238 ( 3.587 -2.971 -4.931) 6.783 5.270 ( -4.667 -5.423 -13.439) 15.225 5.606 ( -1.678 5.484 9.440) 11.046 5.691 ( -10.048 -2.475 5.821) 11.873 6.013 ( 7.395 7.716 1.530) 10.796 6.096 ( -3.338 1.075 -6.219) 7.140 6.222 ( -1.755 -0.601 -0.017) 1.855 6.309 ( 6.665 -0.035 1.485) 6.829 6.385 ( -0.339 5.722 -1.643) 5.963 6.464 ( 1.032 11.445 2.007) 11.665 6.657 ( 0.535 -9.245 -1.534) 9.387 6.670 ( 4.612 -9.741 3.830) 11.438 6.780 ( -0.649 8.092 1.261) 8.215 6.910 ( -1.173 -3.489 1.519) 3.981 6.964 ( -3.940 7.130 -3.761) 8.973 7.077 ( -3.385 -3.887 -2.983) 5.955 7.175 ( -1.577 5.249 -4.366) 7.007 7.280 ( -8.718 -4.110 -1.841) 9.812 7.530 ( -4.003 -0.869 3.856) 5.626 7.652 ( -6.753 -10.143 4.876) 13.125 7.824 ( 3.283 -1.387 0.831) 3.659 7.948 ( -0.943 -9.071 1.072) 9.183 8.256 ( 6.616 8.514 4.932) 11.857 8.365 ( 4.761 3.146 3.754) 6.831 8.511 ( 1.761 -8.551 -4.216) 9.695 8.587 ( -0.433 -10.224 -4.535) 11.193 8.921 ( 0.866 4.653 -0.678) 4.781 9.004 ( 0.521 -4.044 -2.501) 4.783 9.321 ( 11.953 1.237 -2.481) 12.270 9.365 ( 11.094 -2.930 -1.281) 11.545 9.728 ( 5.005 8.310 -3.152) 10.200 9.804 ( 2.356 3.298 -0.959) 4.165 10.032 ( 0.461 7.050 -3.305) 7.800 10.165 ( -1.403 -4.001 -4.291) 6.032 10.304 ( 0.219 10.406 1.240) 10.482 10.459 ( 1.750 -7.064 2.924) 7.843 10.775 ( -6.770 11.169 8.573) 15.623 10.966 ( -2.613 -3.269 9.165) 10.075 11.018 ( -2.294 -1.073 1.124) 2.771 11.103 ( -0.661 -6.884 7.193) 9.979 11.364 ( 3.001 7.237 3.723) 8.675 11.484 ( 6.184 -4.104 -1.028) 7.493 11.709 ( 4.365 4.238 2.169) 6.459 11.818 ( 4.140 -7.156 0.168) 8.269 11.904 ( 4.543 4.670 1.180) 6.621 12.025 ( 4.750 -7.961 -1.687) 9.423 12.236 ( -6.472 2.198 -0.036) 6.835 12.246 ( 3.803 4.649 -2.284) 6.426 12.291 ( -8.465 0.814 0.176) 8.506 12.373 ( 4.501 -3.414 -1.039) 5.744 12.508 ( -2.150 6.055 -0.991) 6.501 12.610 ( -3.461 -4.611 -1.622) 5.989 12.893 ( -16.334 6.933 -0.505) 17.751 13.048 ( -8.351 -6.595 0.161) 10.642 13.131 ( -5.821 2.238 -2.634) 6.770 13.193 ( -18.192 -6.278 -7.179) 20.540 13.767 ( -4.378 10.123 -1.248) 11.099 13.961 ( -2.534 -9.883 -0.491) 10.215 13.984 ( -5.279 4.798 1.286) 7.249 14.095 ( -10.243 -6.117 0.857) 11.961 14.918 ( 4.828 3.875 -9.624) 11.443 14.969 ( 2.006 -1.859 -8.397) 8.831 15.761 ( 5.605 8.847 -3.445) 11.025 15.963 ( 8.009 -12.113 -4.292) 15.143 17.209 ( 6.612 10.565 5.775) 13.736 17.418 ( 4.299 -11.471 6.563) 13.898 18.277 ( 8.131 14.503 4.066) 17.117 18.521 ( 11.840 -9.683 2.368) 15.477 18.985 ( -7.560 10.380 7.434) 14.838 19.220 ( -7.356 -13.030 6.583) 16.347 20.173 ( 12.812 3.766 -8.960) 16.082 20.230 ( 10.505 -2.420 -11.383) 15.677 21.270 ( -10.652 7.341 -4.527) 13.706 21.405 ( -6.365 -5.963 -1.634) 8.874 21.791 ( 2.104 2.803 2.373) 4.233 21.845 ( 2.201 -2.558 3.160) 4.623 22.007 ( -3.299 6.128 3.105) 7.621 22.130 ( -1.013 -6.763 1.933) 7.107 22.608 ( 1.492 5.402 0.991) 5.691 22.665 ( -2.364 -0.964 -1.010) 2.746 22.793 ( 2.652 1.846 -1.571) 3.593 22.875 ( 1.474 -5.907 0.137) 6.090 28.379 ( -4.100 0.491 -0.406) 4.149 28.391 ( -4.803 -0.682 -0.429) 4.870 28.667 ( -10.319 5.059 0.232) 11.494 28.808 ( -16.827 -10.919 0.045) 20.060 29.358 ( -1.975 1.177 7.619) 7.959 29.388 ( -5.257 -2.219 7.586) 9.493 30.559 ( 6.138 2.298 -1.775) 6.790 30.597 ( 3.510 -1.751 0.323) 3.936 30.787 ( 3.857 7.044 -3.513) 8.765 30.913 ( 6.385 -5.792 1.709) 8.788 30.976 ( -0.714 3.115 -0.777) 3.289 31.065 ( -4.889 -5.900 -4.977) 9.137 31.159 ( 4.035 0.787 1.528) 4.385 31.196 ( 0.050 -2.697 3.821) 4.678 31.601 ( -3.481 5.339 0.724) 6.415 31.683 ( -3.709 -2.982 -0.075) 4.759 32.001 ( -2.812 3.180 -0.439) 4.268 32.067 ( -4.702 -3.399 1.110) 5.907 32.547 ( 0.660 8.432 4.835) 9.742 32.700 ( -0.758 -7.466 4.706) 8.858 32.920 ( 2.044 4.407 -1.656) 5.133 33.020 ( 1.876 -5.585 -2.778) 6.514 33.255 ( 1.936 3.765 -0.801) 4.309 33.316 ( 0.854 -2.508 -0.030) 2.649 33.647 ( -0.524 2.392 1.130) 2.697 33.683 ( -1.913 -1.810 -1.079) 2.846 34.190 ( 11.830 12.031 -6.812) 18.196 34.373 ( 9.357 -7.527 -7.158) 13.980 ======================= Grid point 85 (40/78) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -8.145 0.000 32.529) 33.533 1.308 ( 13.662 0.000 27.493) 30.700 1.860 ( -2.856 0.000 9.546) 9.964 2.032 ( -3.377 0.000 -10.844) 11.358 2.123 ( 6.396 0.000 -3.380) 7.235 2.131 ( -10.935 0.000 40.946) 42.381 2.397 ( 4.979 0.000 -11.233) 12.287 2.476 ( -12.040 0.000 -3.574) 12.560 2.542 ( -2.146 0.000 -5.515) 5.918 2.692 ( -1.764 0.000 -2.862) 3.362 2.714 ( 7.907 0.000 0.195) 7.910 2.788 ( -2.136 0.000 -0.044) 2.136 2.822 ( 5.245 0.000 4.028) 6.613 2.940 ( -5.690 0.000 4.213) 7.080 3.053 ( -5.460 0.000 -0.405) 5.475 3.094 ( 7.669 0.000 1.173) 7.758 3.174 ( 3.292 0.000 -3.930) 5.127 3.254 ( -12.238 0.000 7.023) 14.110 3.324 ( 0.569 0.000 -0.447) 0.723 3.487 ( -5.596 0.000 -8.713) 10.356 3.489 ( -4.143 0.000 -5.481) 6.871 3.597 ( 5.879 0.000 -0.845) 5.939 3.777 ( -9.959 0.000 12.254) 15.791 3.811 ( 6.043 0.000 -4.178) 7.346 3.903 ( 1.184 0.000 -10.595) 10.661 4.410 ( 9.593 0.000 -2.989) 10.048 4.477 ( 7.762 0.000 -14.139) 16.130 4.564 ( -17.128 0.000 1.671) 17.210 4.739 ( 9.186 0.000 3.003) 9.665 4.793 ( -8.227 0.000 0.857) 8.272 4.831 ( -1.156 0.000 -5.015) 5.147 4.987 ( 1.449 0.000 -6.717) 6.872 5.128 ( -4.754 0.000 -6.575) 8.113 5.280 ( -2.182 0.000 1.524) 2.661 5.460 ( -4.078 0.000 8.658) 9.570 5.488 ( 3.378 0.000 1.100) 3.552 5.496 ( -2.252 0.000 2.941) 3.704 5.774 ( 15.003 0.000 4.003) 15.528 5.815 ( 7.460 0.000 3.600) 8.283 5.996 ( -3.897 0.000 7.032) 8.039 6.029 ( -0.492 0.000 -7.868) 7.884 6.250 ( 3.193 0.000 -5.728) 6.558 6.270 ( -1.053 0.000 -4.534) 4.655 6.390 ( 8.962 0.000 11.868) 14.872 6.432 ( -2.623 0.000 -4.769) 5.442 6.513 ( 4.126 0.000 -8.848) 9.763 6.607 ( -16.072 0.000 -1.936) 16.188 6.812 ( 0.270 0.000 -5.491) 5.498 6.887 ( 0.282 0.000 -2.357) 2.374 7.058 ( -11.548 0.000 -10.500) 15.608 7.255 ( 2.721 0.000 4.438) 5.206 7.329 ( 3.141 0.000 2.216) 3.844 7.563 ( 4.856 0.000 5.189) 7.106 7.826 ( 3.576 0.000 -4.857) 6.032 8.200 ( 1.610 0.000 2.766) 3.201 8.229 ( -12.056 0.000 -0.132) 12.057 8.505 ( -0.778 0.000 0.022) 0.778 8.595 ( -0.668 0.000 6.144) 6.181 8.674 ( -2.141 0.000 3.466) 4.074 8.678 ( 3.771 0.000 -7.010) 7.960 8.954 ( -0.357 0.000 7.951) 7.959 8.967 ( -1.357 0.000 6.177) 6.324 9.329 ( 4.500 0.000 -7.923) 9.112 9.394 ( 8.870 0.000 -10.524) 13.763 9.571 ( 4.702 0.000 4.231) 6.325 9.773 ( -9.456 0.000 -4.763) 10.588 9.820 ( -2.108 0.000 8.436) 8.696 9.879 ( 4.855 0.000 3.826) 6.181 10.349 ( 13.812 0.000 8.789) 16.371 10.522 ( -14.799 0.000 -5.774) 15.885 10.719 ( -3.894 0.000 -0.911) 3.999 10.807 ( 9.014 0.000 -3.778) 9.773 11.253 ( -27.418 0.000 4.969) 27.864 11.402 ( 3.840 0.000 -1.130) 4.002 11.462 ( -6.776 0.000 4.393) 8.075 11.506 ( -5.272 0.000 5.473) 7.599 11.689 ( -0.917 0.000 -5.392) 5.470 11.730 ( 12.059 0.000 -1.862) 12.202 11.933 ( -5.506 0.000 -0.879) 5.575 11.934 ( -6.850 0.000 -0.349) 6.859 12.174 ( 8.587 0.000 2.044) 8.827 12.244 ( 8.484 0.000 5.523) 10.123 12.271 ( -10.506 0.000 -3.702) 11.140 12.475 ( -6.178 0.000 -1.292) 6.312 12.514 ( 2.768 0.000 3.289) 4.299 12.596 ( 13.891 0.000 -3.062) 14.225 12.755 ( 15.470 0.000 0.375) 15.474 12.762 ( -7.490 0.000 1.033) 7.561 13.003 ( 1.744 0.000 -3.766) 4.151 13.043 ( -1.696 0.000 -4.280) 4.604 13.964 ( -8.422 0.000 -3.322) 9.053 13.973 ( 6.452 0.000 -3.186) 7.196 14.055 ( 3.962 0.000 6.512) 7.623 14.319 ( 1.972 0.000 -6.318) 6.619 14.322 ( 2.236 0.000 7.619) 7.940 14.708 ( 3.044 0.000 -11.717) 12.106 15.710 ( 6.879 0.000 3.243) 7.605 15.946 ( -9.311 0.000 -9.560) 13.345 17.518 ( 20.343 0.000 11.602) 23.419 17.794 ( -10.418 0.000 -4.932) 11.527 17.978 ( -0.510 0.000 11.140) 11.151 18.351 ( -7.247 0.000 -6.102) 9.474 19.162 ( -15.361 0.000 19.246) 24.625 19.576 ( -5.611 0.000 8.401) 10.103 19.903 ( 18.792 0.000 -13.374) 23.065 20.061 ( -0.245 0.000 -16.776) 16.778 21.024 ( 6.288 0.000 3.609) 7.250 21.288 ( -5.726 0.000 -8.065) 9.890 21.816 ( 1.230 0.000 4.272) 4.445 21.930 ( 1.103 0.000 -0.526) 1.222 22.136 ( -4.093 0.000 10.209) 10.999 22.346 ( 1.643 0.000 -0.167) 1.652 22.557 ( -4.076 0.000 1.679) 4.408 22.704 ( 4.304 0.000 -5.234) 6.777 22.936 ( 3.935 0.000 0.329) 3.949 22.964 ( -3.629 0.000 -1.399) 3.889 28.323 ( -0.138 0.000 -0.351) 0.377 28.333 ( -0.127 0.000 -0.789) 0.799 28.547 ( 1.509 0.000 1.234) 1.949 28.590 ( -8.088 0.000 -0.800) 8.127 29.595 ( -5.177 0.000 11.383) 12.505 29.995 ( 3.755 0.000 -6.912) 7.866 30.369 ( 3.484 0.000 8.933) 9.589 30.604 ( 1.566 0.000 -1.346) 2.065 30.652 ( 2.215 0.000 0.739) 2.335 30.822 ( -9.463 0.000 -7.532) 12.095 30.934 ( -12.557 0.000 1.362) 12.630 31.064 ( 8.892 0.000 -3.475) 9.547 31.217 ( 1.844 0.000 0.989) 2.092 31.267 ( 3.348 0.000 -3.602) 4.918 31.731 ( -5.631 0.000 0.887) 5.701 31.765 ( 7.946 0.000 1.917) 8.174 31.940 ( -4.108 0.000 3.590) 5.456 32.159 ( 3.945 0.000 -5.050) 6.408 32.556 ( -3.437 0.000 2.488) 4.243 32.590 ( -0.556 0.000 3.658) 3.700 32.880 ( -6.628 0.000 2.243) 6.997 32.980 ( 3.068 0.000 1.879) 3.597 33.062 ( 4.822 0.000 -4.661) 6.707 33.129 ( 0.009 0.000 -2.395) 2.395 33.790 ( -1.607 0.000 3.045) 3.443 33.948 ( -6.013 0.000 8.455) 10.375 33.970 ( 10.732 0.000 -4.708) 11.720 34.323 ( 5.882 0.000 -9.497) 11.171 ======================= Grid point 86 (41/78) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -3.475 0.000 29.011) 29.218 1.760 ( 0.201 0.000 16.200) 16.201 1.949 ( 14.587 0.000 5.573) 15.616 1.951 ( 11.927 0.000 -12.305) 17.137 2.263 ( 5.936 0.000 -5.530) 8.113 2.297 ( 6.824 0.000 -3.270) 7.567 2.401 ( -3.201 0.000 19.374) 19.636 2.435 ( 7.259 0.000 -6.539) 9.770 2.577 ( -9.282 0.000 -1.004) 9.336 2.677 ( 12.902 0.000 5.258) 13.932 2.839 ( 5.489 0.000 -0.456) 5.508 2.843 ( 7.313 0.000 0.662) 7.342 2.876 ( -2.989 0.000 1.629) 3.405 2.942 ( 0.875 0.000 -4.641) 4.722 3.068 ( 7.526 0.000 5.168) 9.129 3.118 ( -2.391 0.000 6.837) 7.243 3.195 ( 3.723 0.000 -0.559) 3.764 3.269 ( -4.637 0.000 -11.607) 12.499 3.345 ( 6.135 0.000 10.647) 12.288 3.351 ( 1.623 0.000 1.178) 2.005 3.451 ( 2.647 0.000 0.010) 2.647 3.740 ( -9.939 0.000 13.375) 16.664 3.759 ( 7.881 0.000 -13.599) 15.717 3.788 ( 15.772 0.000 5.402) 16.671 3.964 ( 11.414 0.000 -3.464) 11.928 4.243 ( -18.771 0.000 6.429) 19.841 4.411 ( 3.858 0.000 -16.111) 16.566 4.539 ( 0.813 0.000 1.456) 1.668 4.563 ( -8.397 0.000 -5.881) 10.251 4.654 ( -4.526 0.000 -4.120) 6.121 4.849 ( -8.293 0.000 -1.538) 8.435 5.024 ( 2.455 0.000 -3.703) 4.443 5.131 ( 7.670 0.000 2.984) 8.230 5.278 ( -2.005 0.000 -5.895) 6.227 5.511 ( -4.646 0.000 2.898) 5.476 5.519 ( -5.557 0.000 20.795) 21.525 5.621 ( 4.684 0.000 3.131) 5.634 5.651 ( 1.490 0.000 -1.386) 2.035 5.842 ( -2.293 0.000 -11.540) 11.765 5.894 ( -13.759 0.000 2.602) 14.003 6.008 ( -15.381 0.000 -14.801) 21.346 6.103 ( 10.893 0.000 -1.132) 10.952 6.366 ( -7.195 0.000 -1.572) 7.364 6.408 ( 11.005 0.000 -0.616) 11.022 6.505 ( 7.854 0.000 2.290) 8.181 6.684 ( -2.797 0.000 -16.465) 16.701 6.717 ( 19.833 0.000 9.990) 22.207 6.738 ( 10.290 0.000 3.283) 10.801 6.905 ( 9.518 0.000 0.855) 9.557 7.013 ( 11.946 0.000 7.132) 13.913 7.298 ( -1.613 0.000 -0.286) 1.638 7.331 ( -2.098 0.000 -1.527) 2.595 7.697 ( 2.372 0.000 3.513) 4.239 7.709 ( -7.788 0.000 -10.771) 13.292 8.075 ( -8.720 0.000 3.484) 9.390 8.232 ( -4.685 0.000 5.846) 7.492 8.440 ( -4.854 0.000 0.787) 4.917 8.532 ( -6.330 0.000 -0.549) 6.354 8.666 ( -2.822 0.000 1.223) 3.076 8.682 ( -1.398 0.000 -1.516) 2.062 8.943 ( -7.864 0.000 6.063) 9.929 9.027 ( -0.224 0.000 4.941) 4.946 9.309 ( 3.167 0.000 -7.230) 7.894 9.438 ( 10.509 0.000 -15.713) 18.903 9.631 ( -3.217 0.000 0.046) 3.218 9.695 ( -2.600 0.000 5.189) 5.804 9.834 ( 1.016 0.000 4.683) 4.792 9.891 ( -5.636 0.000 -0.699) 5.679 10.233 ( -10.113 0.000 -5.119) 11.335 10.510 ( -6.346 0.000 5.684) 8.519 10.765 ( 14.101 0.000 -2.223) 14.275 10.875 ( -12.660 0.000 5.676) 13.874 10.916 ( -1.854 0.000 -1.899) 2.653 11.303 ( -17.058 0.000 7.418) 18.601 11.410 ( -6.369 0.000 6.756) 9.285 11.553 ( 6.879 0.000 6.523) 9.480 11.700 ( -0.407 0.000 -3.674) 3.696 11.724 ( -6.554 0.000 1.135) 6.652 11.896 ( -8.560 0.000 -1.436) 8.680 11.935 ( 8.508 0.000 0.115) 8.509 12.139 ( 0.207 0.000 -4.119) 4.125 12.265 ( -3.696 0.000 3.615) 5.170 12.332 ( -1.621 0.000 2.610) 3.072 12.477 ( 4.551 0.000 2.012) 4.975 12.561 ( 16.502 0.000 3.918) 16.960 12.658 ( -1.857 0.000 -5.678) 5.973 12.671 ( -6.744 0.000 -2.488) 7.188 12.997 ( 7.407 0.000 -3.533) 8.207 13.089 ( 9.837 0.000 -0.740) 9.865 13.150 ( 25.011 0.000 -8.573) 26.439 13.853 ( -1.089 0.000 -3.178) 3.360 14.082 ( 5.339 0.000 5.976) 8.014 14.251 ( 13.501 0.000 -3.771) 14.017 14.298 ( 3.655 0.000 -5.862) 6.908 14.440 ( 2.915 0.000 6.786) 7.386 14.630 ( 1.988 0.000 -14.307) 14.445 15.671 ( -11.797 0.000 -6.107) 13.285 15.851 ( 3.430 0.000 5.820) 6.756 17.445 ( -19.983 0.000 -8.503) 21.717 17.845 ( 7.735 0.000 2.153) 8.029 18.164 ( 4.392 0.000 16.408) 16.986 18.210 ( -0.988 0.000 -5.978) 6.059 19.019 ( -18.859 0.000 18.304) 26.281 19.563 ( -8.625 0.000 8.691) 12.245 19.737 ( -13.660 0.000 -12.540) 18.544 20.168 ( 24.336 0.000 -15.318) 28.755 21.157 ( -2.422 0.000 -4.941) 5.503 21.290 ( 16.978 0.000 3.139) 17.266 21.873 ( 2.682 0.000 1.702) 3.176 21.917 ( -1.062 0.000 -2.690) 2.892 22.176 ( -3.494 0.000 10.300) 10.876 22.361 ( 1.592 0.000 -1.433) 2.142 22.437 ( -10.381 0.000 2.372) 10.649 22.692 ( -0.121 0.000 -5.146) 5.147 22.908 ( -0.735 0.000 -1.201) 1.408 23.023 ( 4.818 0.000 1.012) 4.923 28.347 ( 3.156 0.000 0.117) 3.158 28.350 ( 3.043 0.000 -0.546) 3.092 28.607 ( 6.402 0.000 -0.201) 6.405 28.683 ( 11.082 0.000 3.758) 11.702 29.604 ( -6.927 0.000 10.667) 12.718 29.962 ( 1.339 0.000 -7.446) 7.565 30.409 ( -7.088 0.000 6.332) 9.505 30.532 ( -8.979 0.000 -8.506) 12.368 30.636 ( -1.059 0.000 0.021) 1.059 30.760 ( -2.795 0.000 1.171) 3.030 30.810 ( 6.091 0.000 5.505) 8.210 31.203 ( 4.302 0.000 -1.543) 4.570 31.222 ( -1.322 0.000 -0.842) 1.568 31.283 ( 5.356 0.000 -2.430) 5.882 31.635 ( -3.898 0.000 -2.145) 4.449 31.868 ( -5.879 0.000 7.500) 9.530 31.915 ( 5.214 0.000 -3.116) 6.074 32.148 ( 0.799 0.000 -4.822) 4.888 32.563 ( -1.521 0.000 4.964) 5.191 32.599 ( -1.093 0.000 1.386) 1.765 32.780 ( -6.915 0.000 1.794) 7.144 33.051 ( 2.582 0.000 2.167) 3.371 33.117 ( 2.331 0.000 -3.288) 4.031 33.127 ( 6.603 0.000 -3.092) 7.291 33.711 ( -7.464 0.000 0.546) 7.484 33.915 ( -6.026 0.000 -6.179) 8.630 33.978 ( -2.667 0.000 8.685) 9.086 34.382 ( 10.362 0.000 -10.013) 14.410 ======================= Grid point 87 (42/78) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -9.507 0.000 14.744) 17.543 1.821 ( -0.684 0.000 4.597) 4.648 2.074 ( 14.390 0.000 -16.528) 21.915 2.175 ( 8.758 0.000 -3.393) 9.392 2.293 ( -6.276 0.000 5.852) 8.581 2.344 ( -1.300 0.000 -5.047) 5.212 2.388 ( 6.171 0.000 -5.966) 8.583 2.569 ( 4.544 0.000 13.872) 14.598 2.685 ( 11.180 0.000 11.009) 15.690 2.798 ( -0.827 0.000 -1.527) 1.736 2.827 ( -4.123 0.000 -3.389) 5.337 2.892 ( 1.325 0.000 -4.156) 4.362 2.894 ( 2.637 0.000 -2.461) 3.607 3.090 ( -7.311 0.000 11.923) 13.986 3.110 ( 6.039 0.000 7.538) 9.659 3.129 ( 1.005 0.000 -2.038) 2.273 3.187 ( 0.145 0.000 1.865) 1.871 3.312 ( 4.142 0.000 4.416) 6.055 3.446 ( -0.472 0.000 1.327) 1.409 3.555 ( 5.443 0.000 4.611) 7.133 3.576 ( 25.035 0.000 0.803) 25.048 3.701 ( -2.133 0.000 7.140) 7.451 3.992 ( 27.469 0.000 -7.964) 28.600 4.163 ( 17.022 0.000 -4.102) 17.510 4.175 ( -1.532 0.000 19.621) 19.681 4.273 ( 19.884 0.000 1.647) 19.952 4.286 ( -2.676 0.000 -5.337) 5.971 4.368 ( -6.360 0.000 -3.270) 7.152 4.514 ( -3.787 0.000 -2.948) 4.799 4.591 ( 4.061 0.000 -8.332) 9.269 4.725 ( -6.558 0.000 5.389) 8.488 4.971 ( -2.150 0.000 3.664) 4.248 5.101 ( -5.290 0.000 -5.971) 7.977 5.261 ( -1.483 0.000 -0.103) 1.486 5.281 ( -16.825 0.000 -8.472) 18.838 5.417 ( -5.270 0.000 1.733) 5.547 5.525 ( -10.909 0.000 -18.115) 21.146 5.709 ( -2.337 0.000 12.897) 13.107 5.776 ( 5.027 0.000 -5.748) 7.637 5.792 ( 1.228 0.000 6.644) 6.757 6.114 ( 15.520 0.000 13.944) 20.864 6.260 ( 6.495 0.000 -0.231) 6.499 6.293 ( 2.434 0.000 -3.159) 3.989 6.454 ( 1.542 0.000 -8.900) 9.032 6.626 ( 6.326 0.000 4.921) 8.015 6.733 ( 15.310 0.000 -1.749) 15.410 6.832 ( -2.017 0.000 -2.331) 3.082 6.957 ( -1.373 0.000 -2.591) 2.932 7.154 ( 12.923 0.000 -3.769) 13.461 7.210 ( 1.751 0.000 1.126) 2.082 7.254 ( 0.818 0.000 3.857) 3.943 7.356 ( -6.869 0.000 -11.120) 13.070 7.539 ( 11.435 0.000 11.351) 16.112 7.716 ( -1.191 0.000 -0.706) 1.384 7.953 ( -8.220 0.000 2.878) 8.709 8.111 ( -15.559 0.000 7.937) 17.466 8.356 ( -10.971 0.000 -2.482) 11.248 8.421 ( -5.053 0.000 -0.640) 5.094 8.560 ( -4.776 0.000 -2.080) 5.209 8.562 ( -10.173 0.000 -2.278) 10.425 8.902 ( -5.516 0.000 12.014) 13.220 9.030 ( -0.667 0.000 -0.884) 1.107 9.311 ( 3.109 0.000 -5.240) 6.093 9.434 ( 7.491 0.000 -14.218) 16.070 9.522 ( -15.971 0.000 0.804) 15.991 9.639 ( -0.533 0.000 2.716) 2.767 9.735 ( -3.890 0.000 -8.072) 8.961 9.887 ( -4.978 0.000 -0.268) 4.985 10.172 ( 10.093 0.000 -3.120) 10.564 10.442 ( -3.583 0.000 1.881) 4.047 10.699 ( -10.267 0.000 10.784) 14.890 10.943 ( 5.302 0.000 -2.449) 5.840 10.995 ( 6.339 0.000 -0.265) 6.345 11.118 ( -10.311 0.000 6.958) 12.439 11.373 ( -7.464 0.000 9.956) 12.443 11.563 ( -8.447 0.000 -1.923) 8.663 11.594 ( -3.629 0.000 -6.279) 7.252 11.734 ( 1.004 0.000 9.517) 9.570 11.803 ( -8.146 0.000 7.518) 11.085 11.948 ( -12.284 0.000 -0.529) 12.295 12.076 ( 3.233 0.000 -0.552) 3.280 12.228 ( 0.429 0.000 2.125) 2.168 12.400 ( -2.284 0.000 -4.395) 4.954 12.531 ( -3.676 0.000 -2.223) 4.296 12.641 ( 12.741 0.000 -3.768) 13.286 12.688 ( 10.321 0.000 7.821) 12.950 12.936 ( 19.299 0.000 6.059) 20.227 13.102 ( 5.281 0.000 -0.002) 5.281 13.253 ( 12.968 0.000 -4.581) 13.753 13.488 ( 25.188 0.000 -10.288) 27.208 13.831 ( -0.317 0.000 0.421) 0.527 14.218 ( 3.674 0.000 1.207) 3.867 14.325 ( 3.142 0.000 -8.404) 8.972 14.432 ( 11.294 0.000 -0.146) 11.295 14.489 ( 1.433 0.000 -10.699) 10.794 14.558 ( 3.491 0.000 4.967) 6.071 15.462 ( -7.048 0.000 -1.863) 7.290 15.920 ( -2.266 0.000 4.528) 5.063 17.021 ( -17.023 0.000 -8.286) 18.932 17.867 ( -3.364 0.000 -4.804) 5.865 18.191 ( 5.095 0.000 -5.278) 7.336 18.300 ( -5.443 0.000 10.163) 11.529 18.983 ( -12.160 0.000 24.597) 27.439 19.388 ( -11.898 0.000 -11.364) 16.454 19.471 ( -6.451 0.000 4.975) 8.147 20.407 ( 20.704 0.000 -15.668) 25.964 21.062 ( -6.627 0.000 0.714) 6.665 21.594 ( 13.516 0.000 1.024) 13.555 21.850 ( -1.029 0.000 -4.298) 4.419 21.953 ( 5.446 0.000 -0.775) 5.501 22.199 ( -4.005 0.000 4.427) 5.970 22.302 ( -9.974 0.000 8.671) 13.216 22.383 ( 2.984 0.000 -2.343) 3.794 22.626 ( -0.141 0.000 -5.200) 5.202 22.898 ( 0.636 0.000 -1.618) 1.738 23.092 ( 2.430 0.000 -0.795) 2.557 28.422 ( 5.302 0.000 -0.006) 5.302 28.431 ( 5.496 0.000 1.196) 5.624 28.728 ( 6.794 0.000 0.203) 6.797 28.957 ( 11.932 0.000 6.911) 13.789 29.572 ( -7.890 0.000 8.743) 11.777 29.907 ( 1.233 0.000 -7.978) 8.073 30.301 ( -7.134 0.000 -4.677) 8.531 30.322 ( -8.756 0.000 6.055) 10.645 30.642 ( 0.229 0.000 0.490) 0.542 30.720 ( -1.735 0.000 2.612) 3.135 31.061 ( 10.957 0.000 8.741) 14.016 31.147 ( -3.191 0.000 -5.130) 6.042 31.167 ( -2.875 0.000 -2.271) 3.664 31.376 ( -0.387 0.000 4.357) 4.374 31.601 ( 6.505 0.000 -6.341) 9.084 31.779 ( -8.906 0.000 3.186) 9.459 31.993 ( 4.385 0.000 -0.528) 4.417 32.109 ( 0.505 0.000 -4.037) 4.068 32.552 ( -3.967 0.000 0.581) 4.010 32.580 ( -2.476 0.000 0.414) 2.511 32.703 ( -5.122 0.000 4.910) 7.096 33.106 ( 0.689 0.000 2.646) 2.734 33.153 ( 5.532 0.000 -3.376) 6.481 33.208 ( 6.607 0.000 -3.915) 7.680 33.600 ( -3.367 0.000 -2.318) 4.088 33.736 ( -7.083 0.000 -4.746) 8.526 33.991 ( -5.436 0.000 7.494) 9.258 34.441 ( 7.786 0.000 -9.579) 12.344 ======================= Grid point 88 (43/78) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -5.430 0.000 3.164) 6.285 1.835 ( -1.936 0.000 0.797) 2.094 2.075 ( 6.243 0.000 -14.825) 16.086 2.205 ( -9.482 0.000 3.808) 10.218 2.234 ( -1.476 0.000 -2.723) 3.098 2.277 ( 5.560 0.000 -4.537) 7.176 2.508 ( -0.645 0.000 1.805) 1.917 2.598 ( -9.883 0.000 -8.234) 12.864 2.628 ( 0.663 0.000 -4.376) 4.426 2.729 ( -6.961 0.000 -0.366) 6.970 2.845 ( -1.929 0.000 1.330) 2.343 2.859 ( -0.703 0.000 9.558) 9.583 3.051 ( 5.472 0.000 5.213) 7.558 3.105 ( -5.244 0.000 6.681) 8.493 3.165 ( -0.888 0.000 1.237) 1.523 3.241 ( -0.982 0.000 14.510) 14.543 3.310 ( 12.242 0.000 10.789) 16.318 3.421 ( 5.732 0.000 -0.270) 5.739 3.433 ( -4.099 0.000 6.635) 7.799 3.636 ( 0.138 0.000 2.966) 2.969 3.930 ( 14.567 0.000 -13.372) 19.773 3.939 ( 8.484 0.000 8.990) 12.361 4.105 ( -0.671 0.000 0.480) 0.825 4.144 ( -0.547 0.000 -11.222) 11.235 4.286 ( 2.041 0.000 -9.833) 10.043 4.372 ( 10.889 0.000 -1.151) 10.949 4.426 ( -3.039 0.000 3.537) 4.664 4.496 ( 8.639 0.000 5.317) 10.144 4.590 ( 14.695 0.000 11.629) 18.740 4.615 ( 4.753 0.000 -5.993) 7.649 4.779 ( 5.827 0.000 4.664) 7.463 4.874 ( -10.170 0.000 4.925) 11.300 4.979 ( 6.258 0.000 -11.537) 13.125 5.211 ( -4.931 0.000 -4.565) 6.720 5.275 ( 5.927 0.000 9.681) 11.351 5.363 ( 12.691 0.000 1.413) 12.770 5.392 ( 1.632 0.000 0.591) 1.735 5.733 ( -4.226 0.000 0.841) 4.309 5.892 ( -1.895 0.000 3.439) 3.926 5.921 ( 10.713 0.000 1.755) 10.856 6.080 ( -8.162 0.000 -0.730) 8.194 6.312 ( -3.337 0.000 -3.176) 4.607 6.385 ( 1.643 0.000 -6.648) 6.848 6.568 ( 7.205 0.000 7.091) 10.109 6.724 ( 4.611 0.000 -8.389) 9.572 6.764 ( -6.810 0.000 -2.559) 7.275 6.840 ( 9.213 0.000 1.177) 9.288 6.939 ( 5.545 0.000 -0.994) 5.634 7.114 ( -1.127 0.000 1.378) 1.780 7.226 ( -8.426 0.000 -1.720) 8.600 7.244 ( 12.409 0.000 -7.192) 14.342 7.398 ( 2.466 0.000 5.115) 5.679 7.592 ( -14.188 0.000 -6.188) 15.479 7.744 ( -0.571 0.000 2.360) 2.428 7.900 ( -19.451 0.000 8.156) 21.091 7.942 ( -1.055 0.000 2.984) 3.165 8.041 ( -8.729 0.000 -3.602) 9.443 8.339 ( -10.005 0.000 -1.414) 10.105 8.412 ( 5.386 0.000 3.516) 6.432 8.547 ( -1.394 0.000 5.631) 5.801 8.977 ( -0.534 0.000 10.563) 10.577 9.002 ( -0.338 0.000 -5.068) 5.079 9.259 ( -12.027 0.000 1.520) 12.123 9.273 ( -1.515 0.000 -5.061) 5.282 9.391 ( 0.795 0.000 -11.386) 11.413 9.559 ( -4.495 0.000 0.477) 4.520 9.718 ( 8.468 0.000 -11.972) 14.664 9.783 ( -1.859 0.000 -5.165) 5.489 10.328 ( 6.048 0.000 1.676) 6.276 10.439 ( 0.120 0.000 2.647) 2.649 10.752 ( 3.980 0.000 7.404) 8.406 10.901 ( -2.147 0.000 -3.805) 4.369 11.100 ( -4.434 0.000 9.051) 10.079 11.100 ( 4.151 0.000 2.365) 4.778 11.367 ( -5.936 0.000 12.809) 14.118 11.470 ( -1.335 0.000 -7.961) 8.072 11.480 ( -3.543 0.000 6.947) 7.798 11.626 ( -15.024 0.000 1.709) 15.121 11.772 ( -3.934 0.000 5.215) 6.532 11.850 ( -3.514 0.000 4.881) 6.014 12.087 ( 0.944 0.000 -3.706) 3.825 12.208 ( -6.041 0.000 3.532) 6.997 12.303 ( -0.302 0.000 -5.080) 5.089 12.520 ( 5.333 0.000 -8.070) 9.673 12.850 ( 12.136 0.000 -2.276) 12.348 12.860 ( -1.873 0.000 7.653) 7.879 13.152 ( -0.271 0.000 1.048) 1.083 13.215 ( 7.722 0.000 1.011) 7.788 13.582 ( 22.442 0.000 3.332) 22.688 13.795 ( 20.128 0.000 -8.937) 22.023 13.864 ( 0.678 0.000 7.809) 7.838 14.141 ( -0.910 0.000 -14.922) 14.950 14.207 ( -1.541 0.000 -5.955) 6.151 14.594 ( 8.573 0.000 3.104) 9.118 14.607 ( 3.468 0.000 3.733) 5.095 14.686 ( 7.218 0.000 5.605) 9.138 15.383 ( -1.566 0.000 -0.144) 1.573 15.837 ( -8.730 0.000 -2.702) 9.139 16.763 ( -4.578 0.000 -2.816) 5.375 17.637 ( -11.695 0.000 -12.659) 17.234 18.261 ( -8.057 0.000 7.415) 10.949 18.266 ( 8.533 0.000 -4.434) 9.616 18.927 ( -18.382 0.000 16.413) 24.644 19.128 ( -5.034 0.000 -9.261) 10.541 19.559 ( 5.235 0.000 11.519) 12.653 20.544 ( 13.862 0.000 -17.431) 22.271 20.973 ( -6.039 0.000 6.040) 8.541 21.651 ( 0.789 0.000 -9.262) 9.295 21.923 ( 7.530 0.000 3.520) 8.312 22.017 ( 3.493 0.000 -2.494) 4.292 22.111 ( -6.019 0.000 -1.535) 6.212 22.282 ( -7.634 0.000 13.989) 15.936 22.398 ( 1.466 0.000 -3.428) 3.729 22.606 ( 3.435 0.000 -4.539) 5.693 22.895 ( 1.447 0.000 -2.179) 2.616 23.082 ( -1.079 0.000 -3.418) 3.585 28.521 ( 5.217 0.000 0.897) 5.293 28.538 ( 4.076 0.000 2.094) 4.583 28.840 ( 4.717 0.000 2.798) 5.484 29.142 ( 1.447 0.000 4.253) 4.492 29.517 ( -7.221 0.000 6.503) 9.717 29.812 ( -0.701 0.000 -10.919) 10.941 30.262 ( -5.431 0.000 7.217) 9.032 30.288 ( 4.691 0.000 6.633) 8.125 30.638 ( -0.839 0.000 -0.591) 1.026 30.739 ( -0.160 0.000 3.642) 3.645 31.035 ( -2.612 0.000 -5.810) 6.370 31.083 ( -2.631 0.000 -4.443) 5.163 31.340 ( 8.874 0.000 11.116) 14.224 31.374 ( -2.197 0.000 3.287) 3.953 31.641 ( -9.100 0.000 1.436) 9.212 31.715 ( 10.014 0.000 -1.394) 10.110 32.051 ( 2.260 0.000 0.432) 2.301 32.093 ( 2.662 0.000 -4.952) 5.623 32.443 ( -5.775 0.000 -4.549) 7.351 32.503 ( -6.152 0.000 -1.630) 6.364 32.709 ( -1.805 0.000 8.020) 8.221 33.116 ( -2.150 0.000 1.271) 2.498 33.213 ( 4.410 0.000 -3.504) 5.633 33.269 ( 5.648 0.000 -5.297) 7.744 33.557 ( 0.897 0.000 -3.014) 3.145 33.601 ( -3.413 0.000 -2.972) 4.526 33.961 ( -5.708 0.000 7.344) 9.301 34.456 ( 5.351 0.000 -9.995) 11.337 ======================= Grid point 89 (44/78) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.422 0.000 5.990) 6.005 1.764 ( -4.506 0.000 -2.368) 5.090 2.002 ( 0.418 0.000 -9.295) 9.305 2.101 ( -5.616 0.000 6.564) 8.639 2.158 ( -8.054 0.000 -6.241) 10.188 2.270 ( -0.685 0.000 -4.322) 4.376 2.424 ( 5.422 0.000 -4.716) 7.186 2.453 ( -4.425 0.000 4.346) 6.202 2.621 ( -1.126 0.000 -12.551) 12.601 2.659 ( -2.874 0.000 4.194) 5.084 2.818 ( 1.572 0.000 5.160) 5.394 2.865 ( -9.085 0.000 8.782) 12.635 3.028 ( -8.986 0.000 2.519) 9.332 3.129 ( 2.931 0.000 3.258) 4.383 3.221 ( 0.982 0.000 6.282) 6.358 3.275 ( -7.239 0.000 8.786) 11.384 3.343 ( -6.328 0.000 -2.669) 6.868 3.564 ( -0.032 0.000 4.384) 4.384 3.615 ( -4.650 0.000 10.740) 11.703 3.616 ( 0.324 0.000 7.401) 7.408 3.889 ( 11.356 0.000 -11.620) 16.247 3.920 ( 0.682 0.000 3.232) 3.303 4.109 ( 4.478 0.000 -6.711) 8.068 4.319 ( 10.348 0.000 -15.002) 18.225 4.379 ( 3.772 0.000 11.025) 11.652 4.432 ( 1.755 0.000 1.997) 2.659 4.502 ( 2.685 0.000 5.890) 6.473 4.576 ( -0.831 0.000 1.457) 1.677 4.662 ( 1.706 0.000 2.713) 3.204 4.688 ( 4.030 0.000 0.561) 4.068 4.806 ( -6.229 0.000 -4.709) 7.809 4.963 ( 6.102 0.000 1.740) 6.345 5.062 ( -3.944 0.000 -6.554) 7.649 5.073 ( -23.863 0.000 -11.898) 26.664 5.212 ( 11.408 0.000 7.925) 13.891 5.508 ( -0.703 0.000 -0.200) 0.731 5.678 ( 1.842 0.000 7.056) 7.292 5.703 ( 18.762 0.000 4.688) 19.338 5.799 ( -8.582 0.000 1.648) 8.739 6.026 ( -5.386 0.000 5.149) 7.451 6.066 ( 8.063 0.000 -6.232) 10.191 6.260 ( 2.453 0.000 4.147) 4.818 6.394 ( 6.884 0.000 -2.575) 7.349 6.549 ( -9.776 0.000 -3.374) 10.342 6.773 ( -2.268 0.000 2.772) 3.581 6.881 ( 14.308 0.000 -4.580) 15.023 6.896 ( 9.461 0.000 0.441) 9.472 6.955 ( 6.823 0.000 -2.529) 7.276 7.079 ( -27.772 0.000 -9.382) 29.314 7.086 ( -8.743 0.000 -4.057) 9.638 7.245 ( 11.132 0.000 3.860) 11.782 7.318 ( -6.467 0.000 -0.033) 6.467 7.522 ( -21.457 0.000 -2.651) 21.620 7.531 ( 13.019 0.000 -0.904) 13.051 7.729 ( -6.805 0.000 5.005) 8.448 8.019 ( 14.491 0.000 -5.076) 15.354 8.038 ( 3.495 0.000 4.853) 5.981 8.205 ( -7.130 0.000 1.550) 7.296 8.592 ( -1.178 0.000 7.047) 7.145 8.635 ( 9.431 0.000 6.857) 11.661 8.894 ( -5.077 0.000 -3.125) 5.962 9.024 ( -3.170 0.000 0.740) 3.256 9.167 ( -2.255 0.000 1.875) 2.933 9.257 ( 3.923 0.000 0.747) 3.993 9.263 ( -3.605 0.000 -3.767) 5.214 9.556 ( 4.109 0.000 -2.252) 4.686 9.704 ( 6.023 0.000 -15.842) 16.948 9.707 ( -0.927 0.000 -6.801) 6.864 10.410 ( 1.597 0.000 2.543) 3.003 10.464 ( -0.526 0.000 0.861) 1.009 10.841 ( -3.395 0.000 0.261) 3.405 10.884 ( 4.230 0.000 1.367) 4.445 11.147 ( 1.187 0.000 9.216) 9.293 11.174 ( 0.801 0.000 2.423) 2.552 11.373 ( -14.760 0.000 4.263) 15.364 11.404 ( 1.056 0.000 -5.265) 5.370 11.477 ( 4.090 0.000 14.472) 15.039 11.581 ( 0.332 0.000 11.799) 11.803 11.727 ( -4.555 0.000 -0.032) 4.555 11.889 ( 2.765 0.000 5.271) 5.953 12.033 ( -1.560 0.000 -3.252) 3.606 12.146 ( -3.526 0.000 0.884) 3.635 12.307 ( 5.546 0.000 -3.564) 6.592 12.454 ( 0.800 0.000 -16.611) 16.631 12.806 ( -10.461 0.000 6.607) 12.373 12.993 ( 5.616 0.000 -0.132) 5.618 13.116 ( -4.899 0.000 1.298) 5.068 13.301 ( 2.949 0.000 -2.008) 3.567 13.682 ( -9.956 0.000 2.567) 10.282 13.941 ( 1.784 0.000 3.056) 3.539 13.945 ( 6.720 0.000 -8.588) 10.904 14.067 ( -6.217 0.000 -7.306) 9.593 14.401 ( 28.108 0.000 6.481) 28.845 14.651 ( -2.710 0.000 3.717) 4.600 14.740 ( 3.085 0.000 3.432) 4.615 14.834 ( 4.041 0.000 -0.742) 4.108 15.395 ( 2.781 0.000 1.071) 2.980 15.609 ( -8.024 0.000 -9.032) 12.082 16.828 ( 10.164 0.000 5.246) 11.438 17.267 ( -12.245 0.000 -16.918) 20.884 18.182 ( -9.066 0.000 6.234) 11.003 18.360 ( 5.881 0.000 -3.046) 6.623 18.776 ( -12.517 0.000 10.021) 16.034 19.071 ( 8.661 0.000 -6.682) 10.939 19.768 ( 1.717 0.000 14.634) 14.734 20.514 ( 5.069 0.000 -20.737) 21.348 21.012 ( 0.413 0.000 11.166) 11.173 21.571 ( 3.240 0.000 -13.234) 13.625 21.972 ( -5.519 0.000 -1.431) 5.701 22.030 ( 1.750 0.000 -2.976) 3.453 22.069 ( 0.232 0.000 7.085) 7.089 22.302 ( -5.718 0.000 13.158) 14.347 22.349 ( -2.343 0.000 -5.136) 5.645 22.638 ( 4.858 0.000 -4.026) 6.310 22.910 ( 2.351 0.000 -1.027) 2.566 22.994 ( -3.889 0.000 -4.941) 6.288 28.589 ( -0.745 0.000 1.647) 1.807 28.602 ( 2.330 0.000 1.059) 2.559 28.962 ( 4.382 0.000 6.516) 7.853 29.098 ( -7.587 0.000 -0.555) 7.607 29.459 ( -5.892 0.000 4.658) 7.510 29.737 ( 4.457 0.000 -8.236) 9.365 30.286 ( -1.095 0.000 8.397) 8.468 30.494 ( 7.202 0.000 6.445) 9.665 30.613 ( -0.199 0.000 1.219) 1.235 30.770 ( -0.644 0.000 2.380) 2.465 30.955 ( -0.309 0.000 -5.112) 5.121 30.997 ( -0.477 0.000 -6.342) 6.360 31.402 ( 1.729 0.000 3.486) 3.892 31.445 ( -7.240 0.000 2.638) 7.706 31.651 ( 5.508 0.000 11.666) 12.901 31.907 ( 10.149 0.000 4.474) 11.092 32.070 ( -1.348 0.000 -0.006) 1.348 32.077 ( 2.045 0.000 -8.023) 8.279 32.283 ( -4.537 0.000 -6.549) 7.967 32.345 ( -7.618 0.000 -4.355) 8.775 32.797 ( 1.045 0.000 9.834) 9.889 33.057 ( -3.836 0.000 -2.047) 4.347 33.212 ( -0.369 0.000 -3.038) 3.060 33.286 ( 2.286 0.000 -5.473) 5.931 33.547 ( 1.321 0.000 -2.682) 2.990 33.561 ( 1.243 0.000 -2.749) 3.017 33.970 ( -3.198 0.000 9.638) 10.155 34.423 ( 3.485 0.000 -11.305) 11.830 ======================= Grid point 90 (45/78) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -16.319 0.000 11.296) 19.847 1.626 ( -9.676 0.000 -2.939) 10.113 1.864 ( -12.689 0.000 -6.287) 14.162 2.031 ( 8.693 0.000 2.565) 9.064 2.153 ( 5.410 0.000 3.031) 6.201 2.301 ( 0.820 0.000 3.525) 3.619 2.415 ( -6.004 0.000 -8.686) 10.559 2.497 ( 4.603 0.000 -2.211) 5.107 2.511 ( 3.421 0.000 6.802) 7.614 2.721 ( 4.429 0.000 -1.910) 4.823 2.751 ( -19.648 0.000 21.002) 28.760 2.905 ( -0.222 0.000 -2.379) 2.389 2.943 ( 4.186 0.000 4.899) 6.444 3.221 ( -7.310 0.000 5.218) 8.982 3.242 ( 3.382 0.000 5.034) 6.064 3.243 ( -2.229 0.000 -1.770) 2.847 3.294 ( -1.020 0.000 8.090) 8.154 3.506 ( -12.216 0.000 14.011) 18.589 3.559 ( -4.600 0.000 -1.625) 4.879 3.702 ( -3.157 0.000 1.198) 3.376 3.978 ( -1.283 0.000 -18.055) 18.100 4.030 ( 5.972 0.000 4.261) 7.337 4.103 ( 5.688 0.000 -3.809) 6.846 4.154 ( -6.534 0.000 -11.678) 13.381 4.261 ( -19.974 0.000 -5.181) 20.634 4.451 ( -21.170 0.000 7.221) 22.368 4.457 ( 0.482 0.000 -1.780) 1.844 4.554 ( -1.712 0.000 -8.328) 8.502 4.618 ( 4.553 0.000 6.847) 8.223 4.689 ( -7.428 0.000 2.935) 7.987 4.727 ( 3.275 0.000 4.244) 5.360 4.782 ( 4.135 0.000 -3.587) 5.474 4.991 ( 1.642 0.000 1.563) 2.267 5.266 ( 12.876 0.000 4.166) 13.533 5.314 ( -6.954 0.000 -1.548) 7.125 5.468 ( 5.173 0.000 -1.707) 5.448 5.586 ( -9.176 0.000 -4.501) 10.220 5.803 ( 2.670 0.000 8.073) 8.503 5.831 ( -2.210 0.000 -6.257) 6.636 6.120 ( 2.399 0.000 11.300) 11.551 6.151 ( 5.943 0.000 -8.788) 10.609 6.267 ( 3.473 0.000 -8.513) 9.194 6.324 ( -8.249 0.000 -3.999) 9.167 6.521 ( -6.573 0.000 4.758) 8.114 6.554 ( -17.394 0.000 -3.527) 17.748 6.748 ( 5.482 0.000 -0.885) 5.553 6.887 ( -2.246 0.000 -2.654) 3.477 6.962 ( -3.082 0.000 -4.621) 5.555 6.994 ( -20.550 0.000 1.265) 20.589 7.107 ( 2.760 0.000 4.526) 5.302 7.278 ( 10.779 0.000 -5.341) 12.030 7.400 ( 11.144 0.000 6.299) 12.801 7.445 ( 14.178 0.000 -0.001) 14.178 7.623 ( -2.786 0.000 9.364) 9.770 7.807 ( 7.457 0.000 2.224) 7.782 8.081 ( -3.418 0.000 -2.558) 4.269 8.225 ( 11.200 0.000 6.404) 12.901 8.284 ( 18.778 0.000 -6.272) 19.798 8.637 ( -0.240 0.000 2.772) 2.782 8.747 ( -1.842 0.000 -3.889) 4.303 8.841 ( -2.154 0.000 9.822) 10.055 8.874 ( -7.407 0.000 -7.004) 10.194 9.228 ( 3.688 0.000 7.277) 8.158 9.238 ( 1.802 0.000 0.209) 1.814 9.374 ( 7.195 0.000 -0.628) 7.223 9.599 ( -2.551 0.000 -6.724) 7.192 9.623 ( 5.984 0.000 -11.549) 13.007 9.635 ( 5.653 0.000 -6.214) 8.401 10.419 ( -4.566 0.000 -1.276) 4.741 10.468 ( 2.706 0.000 2.971) 4.019 10.770 ( -6.653 0.000 3.827) 7.675 10.917 ( 0.546 0.000 -2.489) 2.548 11.160 ( -8.339 0.000 7.896) 11.485 11.236 ( -1.180 0.000 -0.810) 1.431 11.303 ( 5.319 0.000 -3.778) 6.524 11.414 ( 5.601 0.000 6.641) 8.688 11.635 ( -4.456 0.000 -0.059) 4.456 11.688 ( -3.049 0.000 14.258) 14.581 11.769 ( 11.999 0.000 10.014) 15.629 11.999 ( 0.731 0.000 -2.969) 3.058 12.057 ( 7.760 0.000 7.890) 11.067 12.086 ( -2.468 0.000 -3.335) 4.149 12.287 ( 1.478 0.000 -14.156) 14.233 12.409 ( 9.868 0.000 -3.391) 10.434 12.662 ( -13.712 0.000 5.779) 14.880 12.979 ( -11.777 0.000 7.446) 13.934 13.083 ( 2.705 0.000 -2.678) 3.806 13.270 ( -2.804 0.000 -4.057) 4.932 13.483 ( -17.394 0.000 6.480) 18.562 13.835 ( -12.313 0.000 -8.909) 15.198 13.894 ( -2.450 0.000 -4.572) 5.187 14.038 ( 4.739 0.000 3.639) 5.975 14.528 ( -9.447 0.000 -10.217) 13.915 14.728 ( -4.723 0.000 0.850) 4.798 14.767 ( -6.106 0.000 -6.479) 8.902 14.848 ( 13.766 0.000 -2.654) 14.020 15.472 ( 1.349 0.000 -5.677) 5.835 15.568 ( 15.155 0.000 7.222) 16.788 16.928 ( -7.376 0.000 -14.220) 16.019 17.176 ( 19.609 0.000 9.612) 21.838 18.074 ( -9.968 0.000 5.372) 11.323 18.415 ( 3.521 0.000 -0.727) 3.596 18.743 ( -2.350 0.000 9.652) 9.934 19.277 ( 20.706 0.000 -4.840) 21.264 19.877 ( -6.891 0.000 14.709) 16.243 20.323 ( -0.376 0.000 -23.255) 23.258 21.188 ( 5.656 0.000 11.735) 13.027 21.446 ( -0.856 0.000 -16.905) 16.927 21.900 ( -2.824 0.000 2.949) 4.083 22.024 ( -0.969 0.000 -1.421) 1.720 22.110 ( -5.236 0.000 9.745) 11.063 22.227 ( -3.208 0.000 -6.221) 6.999 22.353 ( -2.117 0.000 10.192) 10.410 22.675 ( 4.516 0.000 -5.313) 6.973 22.867 ( -5.187 0.000 -3.370) 6.186 22.957 ( 2.653 0.000 1.483) 3.040 28.548 ( -4.803 0.000 0.406) 4.820 28.603 ( -2.968 0.000 -0.120) 2.970 28.920 ( -10.518 0.000 -1.602) 10.639 29.132 ( 6.065 0.000 8.735) 10.634 29.415 ( -4.372 0.000 4.615) 6.357 29.786 ( 8.538 0.000 -5.953) 10.409 30.378 ( 1.488 0.000 7.208) 7.360 30.530 ( 1.688 0.000 -4.835) 5.121 30.729 ( -3.337 0.000 -4.252) 5.405 30.777 ( 7.029 0.000 10.273) 12.448 30.912 ( 1.182 0.000 -5.232) 5.364 30.965 ( 3.074 0.000 -4.239) 5.236 31.367 ( -3.350 0.000 3.077) 4.549 31.488 ( 2.328 0.000 4.464) 5.035 31.833 ( -0.398 0.000 7.404) 7.415 31.930 ( -7.265 0.000 -7.647) 10.548 31.944 ( -3.274 0.000 -12.898) 13.307 32.156 ( 9.084 0.000 8.022) 12.119 32.205 ( -2.260 0.000 -4.987) 5.475 32.276 ( 4.562 0.000 6.790) 8.180 32.920 ( 0.558 0.000 10.532) 10.547 32.963 ( -3.033 0.000 -3.519) 4.645 33.167 ( -1.217 0.000 -1.939) 2.289 33.233 ( -1.975 0.000 -4.861) 5.247 33.538 ( -1.005 0.000 -4.710) 4.816 33.565 ( 3.577 0.000 -1.804) 4.006 34.018 ( -3.914 0.000 10.604) 11.303 34.360 ( 3.467 0.000 -11.760) 12.260 ======================= Grid point 91 (46/78) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -22.351 0.000 18.564) 29.055 1.319 ( -24.752 0.000 5.765) 25.414 1.754 ( 0.963 0.000 4.180) 4.290 2.118 ( -3.281 0.000 -6.096) 6.923 2.287 ( 5.670 0.000 1.344) 5.827 2.296 ( -8.470 0.000 0.727) 8.501 2.466 ( -22.127 0.000 20.684) 30.289 2.473 ( 14.243 0.000 12.327) 18.836 2.600 ( -11.753 0.000 4.434) 12.562 2.665 ( 6.501 0.000 5.146) 8.291 2.691 ( 3.554 0.000 -1.893) 4.027 2.936 ( -7.585 0.000 -0.746) 7.622 3.030 ( 0.347 0.000 3.642) 3.659 3.114 ( -1.293 0.000 -0.077) 1.295 3.266 ( 5.154 0.000 3.445) 6.200 3.280 ( -8.285 0.000 6.941) 10.809 3.325 ( -7.535 0.000 1.099) 7.615 3.394 ( -10.167 0.000 -4.800) 11.243 3.397 ( -4.625 0.000 -3.128) 5.583 3.536 ( -10.878 0.000 3.803) 11.524 3.588 ( -14.714 0.000 -14.035) 20.334 3.816 ( -1.591 0.000 -10.481) 10.601 3.968 ( -21.424 0.000 3.468) 21.703 4.214 ( -3.735 0.000 5.633) 6.759 4.254 ( -9.796 0.000 -6.361) 11.680 4.333 ( 12.934 0.000 7.812) 15.110 4.442 ( 7.360 0.000 -15.200) 16.888 4.490 ( -2.433 0.000 -0.559) 2.496 4.588 ( 10.246 0.000 -0.830) 10.280 4.726 ( -7.520 0.000 -11.134) 13.435 4.829 ( 6.147 0.000 7.888) 10.001 4.843 ( 9.269 0.000 1.971) 9.476 5.067 ( 4.529 0.000 2.408) 5.129 5.106 ( -5.904 0.000 6.560) 8.825 5.314 ( -1.174 0.000 -5.838) 5.955 5.479 ( -0.277 0.000 -6.791) 6.797 5.650 ( -0.232 0.000 -16.955) 16.957 5.696 ( 7.440 0.000 8.412) 11.230 5.882 ( -4.048 0.000 -5.540) 6.861 5.976 ( -8.038 0.000 -7.629) 11.083 6.085 ( -8.066 0.000 6.002) 10.054 6.268 ( 2.213 0.000 1.673) 2.774 6.299 ( 6.405 0.000 -7.329) 9.733 6.416 ( -3.940 0.000 8.525) 9.391 6.637 ( 8.223 0.000 10.474) 13.316 6.697 ( -11.551 0.000 6.947) 13.479 6.708 ( -7.847 0.000 -9.382) 12.231 6.886 ( 5.561 0.000 -0.226) 5.565 6.918 ( 2.259 0.000 3.289) 3.990 7.047 ( -11.354 0.000 -2.050) 11.538 7.324 ( -5.078 0.000 -4.490) 6.778 7.429 ( -5.484 0.000 1.457) 5.674 7.726 ( 5.332 0.000 -1.785) 5.623 7.742 ( 5.707 0.000 1.781) 5.979 7.989 ( 6.695 0.000 9.798) 11.867 8.130 ( 11.991 0.000 5.098) 13.029 8.463 ( 3.594 0.000 -1.464) 3.881 8.521 ( 16.101 0.000 -10.341) 19.136 8.606 ( 7.900 0.000 -5.446) 9.595 8.629 ( -4.686 0.000 -3.440) 5.813 8.758 ( -3.783 0.000 3.497) 5.152 8.900 ( -4.084 0.000 10.605) 11.364 9.301 ( 4.212 0.000 0.541) 4.246 9.379 ( 2.714 0.000 -1.537) 3.119 9.386 ( 1.769 0.000 -0.359) 1.805 9.600 ( 8.098 0.000 -10.122) 12.963 9.602 ( 5.562 0.000 1.974) 5.902 9.759 ( 9.242 0.000 1.492) 9.361 10.272 ( -9.036 0.000 -4.607) 10.143 10.559 ( 5.095 0.000 0.443) 5.114 10.727 ( -3.847 0.000 6.729) 7.751 10.888 ( -0.281 0.000 -2.220) 2.238 11.136 ( -0.891 0.000 7.177) 7.232 11.278 ( 3.144 0.000 4.716) 5.667 11.288 ( 4.556 0.000 -6.777) 8.166 11.525 ( -5.011 0.000 1.327) 5.184 11.710 ( 13.939 0.000 -0.196) 13.941 11.749 ( -4.449 0.000 11.781) 12.593 11.991 ( -0.414 0.000 1.358) 1.420 12.048 ( 4.606 0.000 -2.891) 5.438 12.061 ( 13.875 0.000 2.006) 14.019 12.223 ( 1.590 0.000 4.367) 4.647 12.233 ( 1.213 0.000 -5.051) 5.194 12.440 ( -17.231 0.000 3.226) 17.531 12.544 ( 8.113 0.000 -4.744) 9.399 12.833 ( -13.460 0.000 8.453) 15.894 13.088 ( 0.050 0.000 -0.937) 0.938 13.139 ( -8.096 0.000 -2.002) 8.340 13.233 ( -16.199 0.000 3.566) 16.587 13.380 ( -25.896 0.000 -18.587) 31.876 13.863 ( -0.737 0.000 4.910) 4.965 14.150 ( 3.435 0.000 2.991) 4.555 14.177 ( -9.868 0.000 -17.755) 20.313 14.543 ( -12.132 0.000 -5.689) 13.400 14.567 ( -10.469 0.000 -3.963) 11.194 14.887 ( 1.692 0.000 -10.111) 10.252 15.493 ( 5.192 0.000 -3.385) 6.198 15.982 ( 19.645 0.000 3.714) 19.993 16.775 ( 1.770 0.000 -2.312) 2.912 17.615 ( 18.329 0.000 7.751) 19.901 17.969 ( -7.977 0.000 5.655) 9.778 18.474 ( 3.404 0.000 -0.342) 3.421 18.876 ( 3.571 0.000 12.841) 13.329 19.640 ( 25.318 0.000 -4.497) 25.714 19.827 ( -14.361 0.000 12.671) 19.152 20.061 ( -1.239 0.000 -24.344) 24.375 21.241 ( -5.368 0.000 -10.053) 11.397 21.408 ( 6.337 0.000 8.815) 10.856 21.889 ( -10.040 0.000 -3.943) 10.786 21.905 ( -0.689 0.000 2.097) 2.208 22.105 ( -6.585 0.000 10.465) 12.364 22.209 ( 4.828 0.000 -1.512) 5.059 22.435 ( 1.822 0.000 6.474) 6.726 22.685 ( 3.863 0.000 -6.646) 7.687 22.782 ( -2.949 0.000 2.854) 4.104 23.014 ( 1.245 0.000 2.075) 2.420 28.451 ( -5.718 0.000 -0.592) 5.749 28.506 ( -6.506 0.000 -1.516) 6.680 28.730 ( -9.928 0.000 -0.210) 9.931 29.267 ( 0.734 0.000 -3.508) 3.584 29.445 ( -0.133 0.000 12.855) 12.855 29.884 ( 9.066 0.000 -5.719) 10.719 30.372 ( -6.672 0.000 -6.951) 9.635 30.531 ( 3.716 0.000 -3.783) 5.303 30.640 ( -0.246 0.000 -1.118) 1.145 30.884 ( 1.923 0.000 -4.393) 4.796 30.991 ( 7.157 0.000 6.011) 9.347 30.998 ( 3.642 0.000 -0.770) 3.723 31.400 ( 0.692 0.000 4.511) 4.564 31.477 ( -6.804 0.000 -4.187) 7.989 31.592 ( -11.292 0.000 -10.307) 15.289 31.798 ( 0.830 0.000 -5.765) 5.825 31.931 ( -1.352 0.000 5.634) 5.794 32.138 ( 0.394 0.000 -4.770) 4.786 32.384 ( 7.242 0.000 7.023) 10.088 32.518 ( 10.589 0.000 9.014) 13.906 32.904 ( -0.338 0.000 -1.833) 1.864 32.996 ( -3.471 0.000 7.492) 8.257 33.139 ( -2.442 0.000 -5.137) 5.688 33.157 ( 1.546 0.000 0.317) 1.579 33.432 ( -4.870 0.000 0.006) 4.870 33.630 ( 4.940 0.000 -0.209) 4.944 34.035 ( -6.479 0.000 10.143) 12.036 34.330 ( 5.625 0.000 -9.452) 10.999 ======================= Grid point 92 (47/78) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -19.762 0.000 26.679) 33.201 1.184 ( -18.121 0.000 27.329) 32.791 1.839 ( -7.327 0.000 10.339) 12.671 2.023 ( 0.320 0.000 -3.301) 3.316 2.034 ( -20.743 0.000 30.397) 36.800 2.309 ( -4.486 0.000 -3.701) 5.816 2.374 ( -3.088 0.000 4.047) 5.091 2.569 ( 2.468 0.000 -0.881) 2.620 2.702 ( 0.284 0.000 3.043) 3.056 2.774 ( -1.408 0.000 0.861) 1.651 2.812 ( -2.475 0.000 0.509) 2.527 2.832 ( -3.998 0.000 -3.317) 5.195 2.856 ( -14.329 0.000 -8.071) 16.446 2.997 ( -6.430 0.000 -3.669) 7.403 3.034 ( -6.069 0.000 2.903) 6.728 3.080 ( -5.989 0.000 0.382) 6.002 3.251 ( -5.062 0.000 -5.088) 7.177 3.325 ( -1.764 0.000 1.141) 2.101 3.376 ( -5.173 0.000 0.584) 5.206 3.480 ( 3.936 0.000 2.232) 4.525 3.579 ( 5.025 0.000 1.085) 5.141 3.721 ( 2.005 0.000 -4.649) 5.063 3.723 ( -8.738 0.000 3.086) 9.267 3.954 ( -22.906 0.000 -3.693) 23.201 3.995 ( -5.640 0.000 -7.260) 9.193 4.383 ( 3.816 0.000 -12.557) 13.124 4.473 ( 5.335 0.000 -7.842) 9.485 4.504 ( 3.464 0.000 0.771) 3.549 4.640 ( 5.408 0.000 3.022) 6.195 4.833 ( 13.446 0.000 2.578) 13.691 4.903 ( -2.179 0.000 -2.900) 3.627 5.104 ( -7.403 0.000 -11.684) 13.832 5.162 ( 14.437 0.000 16.499) 21.924 5.287 ( 8.723 0.000 4.789) 9.951 5.358 ( 3.520 0.000 -6.996) 7.832 5.385 ( 10.472 0.000 -4.769) 11.507 5.443 ( -0.521 0.000 1.667) 1.747 5.658 ( -6.986 0.000 -6.853) 9.786 5.688 ( -12.340 0.000 -1.314) 12.410 5.997 ( 9.254 0.000 0.253) 9.258 6.132 ( 3.023 0.000 7.949) 8.505 6.198 ( -8.531 0.000 0.975) 8.587 6.295 ( 1.982 0.000 -6.318) 6.622 6.413 ( -7.484 0.000 1.790) 7.695 6.441 ( -2.809 0.000 -15.023) 15.283 6.755 ( 1.146 0.000 6.124) 6.230 6.775 ( -9.995 0.000 -8.962) 13.425 6.890 ( 0.032 0.000 1.714) 1.714 6.943 ( -2.789 0.000 1.334) 3.091 7.065 ( 7.762 0.000 12.061) 14.343 7.151 ( -4.147 0.000 1.713) 4.487 7.303 ( -5.542 0.000 -0.887) 5.612 7.678 ( -8.057 0.000 -10.560) 13.283 7.754 ( 3.999 0.000 -0.041) 4.000 8.134 ( 2.971 0.000 2.695) 4.011 8.394 ( 4.758 0.000 0.333) 4.769 8.460 ( 5.031 0.000 -1.579) 5.273 8.486 ( -2.504 0.000 1.915) 3.153 8.669 ( 8.994 0.000 -9.403) 13.012 8.684 ( -1.561 0.000 0.661) 1.695 8.858 ( 6.233 0.000 7.106) 9.452 8.915 ( -5.337 0.000 9.686) 11.060 9.329 ( 3.628 0.000 -7.910) 8.702 9.358 ( 4.619 0.000 -4.505) 6.452 9.479 ( 1.514 0.000 4.565) 4.810 9.713 ( 9.082 0.000 1.395) 9.189 9.730 ( 3.630 0.000 5.679) 6.740 9.977 ( 2.407 0.000 4.785) 5.357 10.055 ( 1.010 0.000 -6.056) 6.140 10.653 ( 8.033 0.000 -4.121) 9.029 10.754 ( -2.801 0.000 6.804) 7.358 10.805 ( -8.217 0.000 -1.223) 8.307 11.342 ( 11.733 0.000 -12.894) 17.434 11.357 ( 15.435 0.000 4.922) 16.201 11.405 ( 2.902 0.000 7.129) 7.697 11.467 ( -4.033 0.000 7.205) 8.257 11.776 ( -4.879 0.000 0.679) 4.926 11.845 ( 2.623 0.000 -9.123) 9.493 11.998 ( 2.474 0.000 3.262) 4.094 12.115 ( -8.421 0.000 -6.289) 10.510 12.119 ( -7.665 0.000 -3.805) 8.557 12.171 ( -4.106 0.000 8.738) 9.655 12.309 ( 6.692 0.000 7.404) 9.980 12.342 ( 11.591 0.000 1.707) 11.716 12.380 ( -18.509 0.000 -6.378) 19.577 12.709 ( -11.734 0.000 0.515) 11.745 12.751 ( -13.668 0.000 -5.418) 14.702 12.956 ( -12.232 0.000 -0.253) 12.235 13.053 ( -4.393 0.000 -2.161) 4.896 13.083 ( 0.507 0.000 -1.563) 1.643 13.896 ( -0.291 0.000 1.777) 1.801 14.022 ( 0.542 0.000 2.086) 2.156 14.156 ( -8.050 0.000 1.138) 8.130 14.299 ( -8.358 0.000 -0.480) 8.372 14.367 ( -2.395 0.000 -7.211) 7.598 14.790 ( 0.785 0.000 -11.192) 11.219 15.574 ( 6.734 0.000 -0.596) 6.761 16.130 ( 1.127 0.000 -9.152) 9.221 17.026 ( 18.872 0.000 12.639) 22.714 17.872 ( 4.783 0.000 0.443) 4.804 17.928 ( -4.231 0.000 7.497) 8.608 18.488 ( -1.587 0.000 -2.422) 2.895 19.082 ( 0.808 0.000 17.488) 17.507 19.673 ( -14.912 0.000 9.443) 17.651 19.841 ( 5.775 0.000 -19.429) 20.270 20.003 ( 21.923 0.000 -11.201) 24.619 21.066 ( -8.304 0.000 -1.921) 8.524 21.477 ( -5.694 0.000 -2.772) 6.333 21.751 ( -0.690 0.000 2.587) 2.677 21.912 ( 0.623 0.000 0.228) 0.663 22.110 ( -4.764 0.000 9.991) 11.069 22.293 ( 4.267 0.000 0.540) 4.301 22.531 ( 2.885 0.000 3.099) 4.234 22.685 ( 4.290 0.000 -6.599) 7.871 22.846 ( 4.363 0.000 4.309) 6.132 23.023 ( -1.856 0.000 0.311) 1.882 28.360 ( -3.541 0.000 -0.731) 3.616 28.384 ( -4.786 0.000 -1.497) 5.015 28.587 ( -6.443 0.000 0.713) 6.483 28.977 ( -21.876 0.000 -14.264) 26.116 29.558 ( -3.221 0.000 11.109) 11.566 29.966 ( 7.089 0.000 -6.154) 9.388 30.222 ( -0.089 0.000 4.342) 4.343 30.573 ( 3.822 0.000 -1.995) 4.311 30.646 ( -0.160 0.000 -0.039) 0.165 30.895 ( 4.753 0.000 -4.738) 6.711 31.069 ( 0.187 0.000 3.543) 3.548 31.103 ( -2.213 0.000 0.626) 2.300 31.240 ( -11.529 0.000 -0.831) 11.559 31.270 ( -1.803 0.000 -9.626) 9.793 31.594 ( 9.024 0.000 1.290) 9.115 31.790 ( -2.079 0.000 1.378) 2.494 31.953 ( -2.398 0.000 4.967) 5.516 32.130 ( 4.240 0.000 -4.886) 6.469 32.531 ( 2.457 0.000 5.479) 6.005 32.632 ( -1.567 0.000 -3.713) 4.030 32.917 ( 2.160 0.000 0.899) 2.340 32.958 ( -6.008 0.000 3.719) 7.066 33.066 ( 0.877 0.000 -5.822) 5.887 33.156 ( -0.876 0.000 -1.411) 1.661 33.630 ( 19.496 0.000 10.097) 21.955 33.723 ( 4.351 0.000 2.107) 4.834 34.001 ( -8.556 0.000 9.048) 12.453 34.340 ( 4.762 0.000 -8.352) 9.614 ======================= Grid point 93 (48/78) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -7.203 6.201 29.704) 31.188 1.385 ( 17.100 7.379 29.170) 34.609 1.868 ( -2.368 1.018 3.902) 4.677 2.045 ( 0.976 -0.895 -6.763) 6.892 2.127 ( -0.445 -0.398 -4.365) 4.406 2.254 ( 5.391 -3.175 7.971) 10.133 2.381 ( -10.657 2.381 10.154) 14.912 2.389 ( -5.429 3.764 3.002) 7.256 2.652 ( -3.799 2.688 -2.085) 5.100 2.681 ( -1.552 -0.055 -0.930) 1.811 2.709 ( 7.684 -0.635 -0.988) 7.774 2.757 ( -0.284 -0.344 3.627) 3.654 2.861 ( 1.624 4.015 -2.049) 4.791 2.950 ( -3.259 1.295 -1.014) 3.651 3.062 ( -2.353 5.282 5.428) 7.931 3.146 ( -1.825 -2.268 -1.400) 3.230 3.194 ( -7.494 -1.531 -4.076) 8.666 3.199 ( -1.810 2.084 0.819) 2.880 3.352 ( -0.424 2.188 0.000) 2.229 3.456 ( -4.296 -0.604 -6.852) 8.109 3.554 ( -0.831 2.777 -0.976) 3.059 3.641 ( 4.985 1.557 -3.248) 6.150 3.679 ( -6.727 -4.157 9.729) 12.538 3.790 ( -0.924 -8.318 -11.618) 14.318 3.899 ( 1.803 4.969 -0.620) 5.322 4.315 ( -0.186 -11.906 -8.938) 14.889 4.411 ( 7.585 0.699 -3.301) 8.301 4.566 ( -6.194 -3.610 -2.645) 7.641 4.700 ( -9.572 0.526 0.123) 9.587 4.746 ( 11.600 -2.220 6.154) 13.318 4.831 ( -0.194 -4.953 1.772) 5.264 5.018 ( 2.309 2.148 -4.277) 5.314 5.113 ( -5.719 -2.617 -4.095) 7.505 5.295 ( 0.110 -7.820 5.066) 9.318 5.414 ( 0.425 7.050 2.685) 7.556 5.488 ( 4.293 1.269 -4.578) 6.403 5.602 ( -0.801 5.439 5.369) 7.685 5.750 ( 9.365 3.088 4.948) 11.033 5.904 ( 5.388 5.648 2.699) 8.259 5.946 ( -4.571 1.193 0.887) 4.806 6.131 ( 1.337 5.464 1.542) 5.832 6.282 ( 0.344 0.824 1.855) 2.059 6.329 ( 6.089 0.372 -3.199) 6.888 6.358 ( -1.131 7.790 -7.454) 10.841 6.513 ( -1.778 -4.528 0.995) 4.965 6.514 ( -7.118 3.075 -12.655) 14.841 6.606 ( -1.654 3.397 -1.300) 3.996 6.806 ( 0.995 -0.789 -5.541) 5.684 6.894 ( -1.942 1.295 -1.879) 2.997 7.071 ( -7.453 0.166 -5.952) 9.540 7.231 ( 0.480 -2.792 3.344) 4.383 7.323 ( 4.953 -2.462 0.649) 5.569 7.522 ( 2.538 -3.114 2.114) 4.540 7.685 ( 0.644 -12.967 -3.791) 13.525 7.905 ( -2.134 -20.006 3.353) 20.397 8.034 ( -7.426 -18.133 -3.524) 19.909 8.468 ( -5.288 -6.285 8.413) 11.758 8.499 ( 3.015 -0.832 3.919) 5.014 8.654 ( -2.036 0.082 -1.598) 2.590 8.771 ( 2.931 1.311 -3.361) 4.648 8.950 ( 2.871 2.054 6.249) 7.177 9.075 ( -1.637 4.513 7.615) 9.002 9.359 ( 6.561 -1.469 -8.858) 11.120 9.481 ( 7.537 3.431 -9.866) 12.881 9.651 ( 6.308 9.307 2.522) 11.523 9.809 ( -7.934 5.668 -0.326) 9.756 9.861 ( -2.442 6.138 7.444) 9.952 9.979 ( 5.255 8.213 0.495) 9.763 10.272 ( 2.938 -1.690 7.119) 7.885 10.557 ( -4.741 -3.022 -6.982) 8.964 10.738 ( -8.054 5.254 3.173) 10.126 10.858 ( 7.603 3.200 -2.318) 8.569 11.217 ( -20.426 -2.517 7.652) 21.957 11.419 ( 4.539 1.314 -2.688) 5.436 11.439 ( -7.940 -3.895 5.941) 10.653 11.508 ( -6.585 0.939 6.313) 9.171 11.675 ( 3.880 -1.606 -5.458) 6.887 11.754 ( 5.340 2.059 -3.509) 6.713 11.879 ( -4.080 -0.678 2.200) 4.684 12.014 ( -0.361 5.327 -1.805) 5.636 12.187 ( -4.079 -0.968 0.118) 4.194 12.231 ( 5.246 0.228 -0.479) 5.273 12.311 ( -1.041 3.187 -0.018) 3.353 12.441 ( 3.176 -3.119 -1.352) 4.652 12.539 ( -0.858 1.496 2.950) 3.417 12.562 ( 9.226 -3.026 -1.673) 9.853 12.726 ( 8.221 -0.946 2.232) 8.572 12.802 ( -3.457 1.581 -1.729) 4.176 12.997 ( 1.882 0.134 -3.197) 3.712 13.067 ( -1.830 1.820 -3.664) 4.482 13.795 ( 9.060 -13.527 4.004) 16.765 13.920 ( -6.409 -4.934 -4.138) 9.086 14.014 ( -3.234 -0.593 4.181) 5.319 14.182 ( 2.968 -7.334 1.048) 7.981 14.495 ( 1.298 7.738 -5.256) 9.444 14.701 ( 2.541 -0.833 -11.215) 11.530 15.716 ( 5.287 0.944 1.987) 5.727 15.906 ( -6.420 -3.860 -8.377) 11.238 17.564 ( 13.539 2.655 9.092) 16.523 17.748 ( -4.898 -2.832 -1.716) 5.913 18.157 ( -1.755 15.237 8.217) 17.400 18.481 ( -3.951 12.177 -6.094) 14.178 19.109 ( -15.279 -5.243 17.774) 24.018 19.472 ( -4.862 -9.782 6.032) 12.479 19.950 ( 15.190 4.022 -11.599) 19.531 20.065 ( 1.887 0.266 -15.456) 15.573 21.038 ( 5.542 1.947 3.034) 6.611 21.273 ( -4.456 -1.902 -7.377) 8.825 21.858 ( 1.012 4.071 3.643) 5.556 21.948 ( 1.092 1.868 -0.047) 2.164 22.120 ( -3.733 -1.490 9.497) 10.313 22.302 ( 0.926 -4.591 0.380) 4.699 22.587 ( -4.396 2.995 1.235) 5.460 22.708 ( 3.994 0.540 -4.648) 6.152 22.855 ( 5.761 -5.532 3.236) 8.618 22.946 ( -3.758 -3.208 -1.633) 5.204 28.322 ( -0.165 -0.066 -0.406) 0.443 28.330 ( -0.120 -0.241 -0.772) 0.817 28.553 ( 1.021 0.564 0.932) 1.493 28.587 ( -6.063 -0.330 -0.657) 6.107 29.616 ( -4.269 2.208 11.992) 12.919 29.911 ( 2.263 -7.234 4.612) 8.873 30.404 ( 4.943 3.559 -0.668) 6.127 30.606 ( 0.977 0.139 -1.588) 1.870 30.636 ( 0.230 -1.078 0.020) 1.103 30.760 ( -8.955 -5.729 -8.750) 13.769 30.988 ( -11.955 4.365 1.277) 12.790 31.077 ( 8.524 1.446 -2.036) 8.882 31.193 ( 5.620 -2.138 1.123) 6.117 31.253 ( -0.251 -1.562 -1.915) 2.485 31.707 ( -4.623 -1.524 2.432) 5.442 31.757 ( 8.045 -0.913 1.577) 8.249 31.972 ( -3.082 2.995 3.296) 5.416 32.138 ( 1.496 -1.359 -1.330) 2.419 32.557 ( -3.323 3.742 6.347) 8.083 32.769 ( -2.968 9.691 -3.564) 10.744 32.869 ( -4.482 0.203 0.174) 4.490 32.946 ( 4.108 -2.699 0.582) 4.949 33.037 ( 3.225 -2.212 -2.715) 4.761 33.134 ( -1.241 -0.169 -3.732) 3.937 33.774 ( -0.756 -1.168 2.927) 3.241 33.876 ( 1.481 -4.101 2.979) 5.281 34.058 ( 3.185 5.859 -0.753) 6.711 34.323 ( 5.879 -0.664 -9.492) 11.185 ======================= Grid point 94 (49/78) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -1.736 5.030 26.417) 26.948 1.797 ( -1.141 1.474 5.246) 5.568 1.993 ( 14.727 2.759 4.108) 15.537 2.045 ( 10.160 9.383 -5.600) 14.921 2.164 ( 6.226 -2.721 -6.993) 9.750 2.280 ( 10.528 -6.838 -11.561) 17.066 2.413 ( -6.209 0.001 12.156) 13.649 2.486 ( 4.561 4.958 5.837) 8.914 2.566 ( -5.572 -3.493 2.236) 6.946 2.680 ( 6.727 0.976 1.358) 6.932 2.803 ( 11.337 -1.824 1.342) 11.561 2.827 ( 1.381 -0.448 0.102) 1.456 2.906 ( -0.454 4.134 0.665) 4.212 3.043 ( -1.862 8.111 1.159) 8.403 3.080 ( 6.806 -1.338 3.955) 7.984 3.114 ( -3.062 -1.915 5.417) 6.510 3.134 ( 7.076 -1.921 0.213) 7.335 3.245 ( 1.057 -0.567 -1.154) 1.665 3.355 ( 1.485 0.674 4.062) 4.377 3.404 ( 3.092 1.237 1.095) 3.506 3.526 ( 1.952 4.805 -2.481) 5.750 3.645 ( -1.676 -4.885 4.157) 6.629 3.712 ( 2.479 -8.642 0.973) 9.043 3.828 ( 13.812 0.250 1.307) 13.876 3.916 ( 5.290 2.486 -2.122) 6.218 4.193 ( -6.583 -5.400 -0.284) 8.519 4.330 ( -8.134 -5.227 -9.619) 13.638 4.493 ( -0.011 0.260 0.298) 0.395 4.567 ( -2.288 -0.800 -1.818) 3.030 4.775 ( -5.654 3.046 -1.811) 6.673 4.902 ( -3.873 4.992 -6.497) 9.062 5.036 ( 4.469 1.272 0.848) 4.724 5.101 ( 2.445 1.039 4.233) 4.998 5.305 ( -2.674 2.503 -7.092) 7.982 5.379 ( -3.786 -6.538 3.743) 8.431 5.548 ( -3.558 -1.677 1.025) 4.065 5.634 ( 10.372 4.859 12.063) 16.635 5.731 ( -9.142 5.229 -4.271) 11.365 5.894 ( -2.337 4.250 -2.262) 5.352 6.005 ( -15.808 2.925 -12.190) 20.176 6.048 ( 0.084 4.047 3.324) 5.238 6.154 ( 3.673 9.631 -4.179) 11.123 6.319 ( 1.590 0.883 0.452) 1.874 6.415 ( -0.155 -5.653 -0.919) 5.730 6.493 ( 5.169 -2.293 -0.501) 5.677 6.576 ( 15.118 -4.721 4.474) 16.458 6.724 ( 1.028 1.443 -11.260) 11.399 6.761 ( 8.444 -0.654 1.652) 8.629 6.921 ( 6.040 2.395 1.235) 6.614 7.052 ( 11.181 2.440 6.455) 13.139 7.227 ( -2.840 -7.091 0.441) 7.651 7.403 ( 3.952 3.774 -0.765) 5.518 7.578 ( -2.780 -10.765 -5.105) 12.234 7.641 ( 1.417 -5.589 -1.350) 5.922 7.835 ( -7.897 -18.592 2.752) 20.386 8.011 ( 1.811 -18.705 4.827) 19.402 8.397 ( -9.623 -3.411 2.312) 10.468 8.470 ( -8.891 -2.319 5.997) 10.972 8.637 ( -0.932 -2.642 -1.268) 3.075 8.740 ( -2.558 3.453 -3.396) 5.478 9.045 ( -2.132 2.458 3.621) 4.868 9.073 ( -3.311 5.804 6.428) 9.271 9.347 ( 4.866 0.723 -14.675) 15.478 9.489 ( 4.574 3.012 -8.103) 9.780 9.666 ( -3.741 5.432 -0.527) 6.617 9.802 ( -0.985 8.342 0.784) 8.437 9.832 ( -2.521 1.905 4.735) 5.693 10.001 ( -1.874 11.761 -1.221) 11.972 10.272 ( -5.942 1.548 -0.576) 6.167 10.474 ( -5.172 -5.152 4.477) 8.564 10.662 ( 2.047 -0.904 -2.019) 3.014 10.907 ( -15.081 2.972 8.837) 17.730 10.999 ( 3.545 1.989 -2.471) 4.757 11.318 ( -13.779 0.731 7.951) 15.925 11.403 ( -5.828 -0.904 5.622) 8.148 11.566 ( 6.890 1.616 6.811) 9.822 11.695 ( -5.047 -1.956 -4.051) 6.760 11.715 ( -2.358 1.118 -1.530) 3.025 11.911 ( 4.987 -1.413 2.308) 5.674 11.948 ( -5.029 3.859 -3.731) 7.355 12.107 ( -5.713 -3.843 -1.592) 7.067 12.257 ( 6.021 2.699 1.308) 6.726 12.350 ( -9.258 1.359 3.409) 9.959 12.474 ( 5.954 -4.068 -2.055) 7.498 12.606 ( 14.136 3.293 -1.645) 14.607 12.632 ( 3.710 0.356 -0.287) 3.739 12.718 ( -4.974 4.799 0.918) 6.973 13.023 ( 7.551 2.212 -3.621) 8.661 13.081 ( 10.204 -1.310 -2.165) 10.513 13.111 ( 22.977 -3.406 -6.281) 24.063 13.815 ( -0.188 -3.814 -4.060) 5.574 14.051 ( 8.413 -12.910 2.625) 15.632 14.086 ( 11.324 -2.520 3.800) 12.207 14.239 ( 4.952 -6.387 -3.286) 8.725 14.484 ( 0.204 3.621 0.626) 3.681 14.629 ( 1.987 -0.475 -11.394) 11.575 15.687 ( -9.333 1.510 -5.406) 10.891 15.813 ( 1.794 -3.112 3.831) 5.251 17.478 ( -17.224 3.438 -5.549) 18.420 17.799 ( 4.320 -5.097 1.093) 6.770 18.220 ( -3.224 8.900 8.737) 12.882 18.416 ( 2.286 14.878 -1.983) 15.183 18.984 ( -16.150 -2.505 19.277) 25.272 19.488 ( -6.220 -7.550 8.453) 12.928 19.783 ( -12.122 4.223 -11.975) 17.555 20.115 ( 16.552 -5.174 -14.918) 22.875 21.192 ( 3.251 3.137 -4.603) 6.450 21.297 ( 16.286 0.547 1.754) 16.389 21.892 ( 0.657 2.038 1.468) 2.597 21.934 ( -1.697 1.686 -2.128) 3.202 22.153 ( -3.468 -2.119 8.990) 9.866 22.296 ( -2.085 -5.317 0.631) 5.746 22.490 ( -5.631 4.205 0.448) 7.042 22.730 ( 1.884 3.557 -3.485) 5.324 22.854 ( -2.286 -5.192 -2.541) 6.216 22.993 ( 5.474 -2.984 1.948) 6.532 28.345 ( 3.087 -0.130 -0.072) 3.090 28.350 ( 3.257 -0.104 -0.387) 3.281 28.614 ( 6.492 0.725 -0.017) 6.532 28.675 ( 10.251 -0.809 2.854) 10.672 29.645 ( -6.075 4.143 10.939) 13.180 29.928 ( -0.573 -3.304 -2.646) 4.272 30.430 ( -5.037 1.003 -0.209) 5.140 30.506 ( -6.677 -1.937 -5.575) 8.912 30.627 ( -0.089 -0.586 0.436) 0.736 30.698 ( 4.412 -6.484 2.882) 8.355 30.828 ( -5.815 3.481 2.129) 7.104 31.147 ( -4.582 -4.704 -2.819) 7.146 31.230 ( 5.801 0.907 0.033) 5.872 31.306 ( 4.760 0.431 -0.035) 4.779 31.660 ( -0.392 3.218 -1.360) 3.516 31.892 ( 3.736 -0.034 3.230) 4.939 31.931 ( -2.595 3.148 -0.457) 4.105 32.125 ( -0.731 -1.710 -2.720) 3.295 32.575 ( -2.329 3.517 7.438) 8.551 32.699 ( -4.256 3.472 1.116) 5.605 32.797 ( -2.888 4.442 -1.410) 5.483 33.029 ( 3.542 -2.498 -0.988) 4.445 33.077 ( 1.970 -2.436 0.333) 3.151 33.113 ( 4.850 -2.042 -2.279) 5.735 33.706 ( -7.015 0.079 -0.451) 7.030 33.871 ( -4.001 -3.986 -1.056) 5.745 34.044 ( -2.822 5.796 1.458) 6.610 34.358 ( 8.249 -2.606 -9.146) 12.590 ======================= Grid point 95 (50/78) ======================= q-point: ( 0.25 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -5.544 4.252 13.610) 15.299 1.833 ( -2.363 0.675 4.624) 5.237 1.974 ( 7.995 -2.126 -19.804) 21.462 2.183 ( 5.558 -4.546 -2.127) 7.489 2.278 ( -1.018 -1.697 -0.502) 2.042 2.358 ( 0.325 2.638 -1.356) 2.984 2.420 ( 11.203 0.725 -2.291) 11.458 2.563 ( 1.868 -7.826 9.113) 12.156 2.656 ( 1.618 3.997 7.756) 8.874 2.750 ( -2.778 -1.143 1.480) 3.349 2.818 ( -1.617 -1.110 -5.700) 6.028 2.916 ( 2.021 0.465 -0.199) 2.083 3.003 ( 6.860 8.717 5.636) 12.442 3.059 ( 1.823 1.070 3.444) 4.041 3.109 ( 1.859 -1.025 6.587) 6.920 3.188 ( -2.666 -1.102 2.640) 3.910 3.236 ( 2.889 3.847 3.056) 5.699 3.331 ( 4.013 4.779 2.971) 6.911 3.457 ( 1.357 0.144 0.541) 1.468 3.477 ( 7.476 -2.363 2.569) 8.251 3.657 ( 11.055 1.578 0.406) 11.175 3.685 ( 3.437 -0.732 6.322) 7.233 3.901 ( 12.676 -8.583 -4.933) 16.084 4.101 ( 22.132 -0.315 4.509) 22.589 4.178 ( 9.675 -3.438 3.354) 10.802 4.202 ( 3.691 -2.485 3.732) 5.807 4.264 ( 12.492 -0.311 3.333) 12.932 4.406 ( -8.629 -2.861 1.934) 9.294 4.557 ( 3.371 2.046 -7.517) 8.489 4.642 ( -1.359 5.122 -3.888) 6.572 4.757 ( -6.615 3.848 0.865) 7.702 4.997 ( -5.009 0.828 0.559) 5.108 5.070 ( -4.406 0.031 -11.284) 12.114 5.229 ( 2.524 2.743 1.989) 4.225 5.309 ( -12.525 -0.404 -5.303) 13.607 5.389 ( -13.480 -2.945 -7.744) 15.823 5.531 ( -2.654 -0.414 -10.138) 10.487 5.603 ( -1.242 2.351 5.995) 6.558 5.923 ( -1.030 7.461 4.138) 8.594 6.056 ( 0.362 20.444 5.195) 21.097 6.111 ( 17.432 -2.414 11.506) 21.026 6.228 ( 5.327 -2.069 -5.745) 8.104 6.325 ( 2.679 0.125 -1.825) 3.244 6.438 ( 2.199 2.084 -2.426) 3.881 6.580 ( 4.912 -5.496 6.390) 9.755 6.670 ( 7.009 -10.178 -3.920) 12.965 6.826 ( 3.867 4.691 0.910) 6.147 6.946 ( 3.676 -7.688 -2.363) 8.843 7.010 ( -0.870 -4.216 -5.419) 6.921 7.180 ( 3.891 -4.510 4.370) 7.387 7.278 ( 7.507 2.531 3.673) 8.732 7.363 ( -5.105 -1.285 -11.850) 12.967 7.546 ( 2.274 -1.006 5.662) 6.184 7.669 ( -2.038 -7.560 0.552) 7.849 7.799 ( 4.478 -8.157 6.638) 11.431 8.050 ( -5.766 -10.529 5.723) 13.298 8.244 ( -9.671 -3.667 3.242) 10.838 8.333 ( -12.236 -7.686 0.532) 14.460 8.512 ( -9.221 -3.126 -3.794) 10.449 8.624 ( -6.678 4.626 -2.857) 8.612 8.956 ( -7.283 2.954 3.318) 8.531 9.112 ( -0.575 1.853 2.816) 3.419 9.268 ( 2.309 0.730 -11.149) 11.409 9.446 ( -1.781 -0.852 -6.716) 7.000 9.634 ( -12.662 7.598 0.024) 14.767 9.651 ( 1.147 4.338 -0.081) 4.487 9.782 ( -0.733 8.153 -8.274) 11.640 10.031 ( -4.602 8.789 -0.681) 9.944 10.175 ( 6.740 1.044 -2.161) 7.155 10.451 ( -2.127 -0.941 4.430) 5.003 10.737 ( -0.895 -3.861 5.254) 6.581 10.772 ( -3.294 1.994 6.867) 7.873 11.050 ( -0.422 -0.869 -0.009) 0.966 11.212 ( -4.238 6.282 5.282) 9.237 11.365 ( -6.713 -4.498 6.413) 10.316 11.502 ( -9.936 -0.885 -1.963) 10.166 11.598 ( -4.322 -0.454 -2.209) 4.875 11.772 ( -0.052 3.809 9.147) 9.909 11.857 ( -4.478 4.947 3.462) 7.517 11.951 ( -9.134 0.361 -0.835) 9.179 12.021 ( 1.308 -5.788 -1.989) 6.258 12.253 ( -0.837 2.239 2.754) 3.647 12.352 ( 2.005 -2.944 0.572) 3.608 12.452 ( -3.053 -7.993 -5.979) 10.439 12.709 ( 12.874 4.915 -4.236) 14.416 12.758 ( 6.183 6.977 6.730) 11.498 12.955 ( 14.945 2.161 4.432) 15.738 13.135 ( 7.104 2.706 -0.145) 7.604 13.244 ( 14.467 -0.535 -3.617) 14.922 13.457 ( 24.279 -3.135 -8.324) 25.857 13.802 ( 1.530 -2.348 -1.363) 3.116 14.147 ( 3.377 -8.635 -3.823) 10.029 14.291 ( 4.332 -2.097 -4.060) 6.297 14.371 ( 13.382 -4.842 3.329) 14.615 14.475 ( 1.472 0.594 -3.676) 4.004 14.593 ( 2.971 0.902 -0.245) 3.114 15.504 ( -6.693 4.058 -2.196) 8.129 15.845 ( -2.737 -6.789 3.191) 7.985 17.104 ( -16.742 8.398 -6.384) 19.788 17.778 ( -5.161 -9.308 -3.690) 11.265 18.230 ( -0.147 6.039 1.290) 6.177 18.401 ( -4.218 6.177 1.175) 7.571 19.013 ( -10.050 3.870 23.674) 26.009 19.355 ( -12.254 -3.136 -3.358) 13.087 19.519 ( -5.027 4.959 -2.302) 7.427 20.244 ( 13.979 -14.610 -11.970) 23.498 21.192 ( 0.314 11.119 -2.907) 11.497 21.585 ( 13.050 -1.047 0.227) 13.094 21.856 ( -1.796 0.679 -3.851) 4.303 21.933 ( 3.364 -1.803 -0.913) 3.924 22.172 ( -2.899 -2.031 5.012) 6.136 22.259 ( -5.220 -3.646 6.317) 8.969 22.442 ( 0.132 4.696 -1.188) 4.846 22.688 ( -0.388 5.764 -4.547) 7.352 22.833 ( 1.107 -5.867 -1.863) 6.254 23.066 ( 2.171 -2.881 -0.885) 3.714 28.422 ( 5.423 0.038 0.241) 5.429 28.433 ( 5.625 0.042 0.956) 5.705 28.739 ( 6.815 1.218 0.471) 6.939 28.916 ( 10.588 -3.799 5.469) 12.508 29.627 ( -6.913 5.064 8.087) 11.782 29.879 ( -0.102 -2.794 -4.260) 5.096 30.244 ( -7.373 -0.734 -5.715) 9.358 30.417 ( -5.490 5.061 4.115) 8.526 30.636 ( 0.030 -0.674 0.382) 0.775 30.726 ( -2.009 -0.071 3.377) 3.930 30.910 ( 4.629 -11.848 4.072) 13.356 31.035 ( -2.770 -6.479 -1.007) 7.118 31.259 ( -0.241 3.859 -3.080) 4.943 31.370 ( 0.332 -0.628 2.780) 2.869 31.689 ( 5.740 7.527 -3.191) 9.990 31.846 ( -5.688 5.906 1.623) 8.359 31.988 ( 4.570 -1.093 -0.760) 4.760 32.072 ( -0.939 -2.588 -3.588) 4.522 32.600 ( -3.444 4.300 4.639) 7.202 32.653 ( -3.780 2.884 4.235) 6.367 32.740 ( -2.821 6.883 0.243) 7.442 33.019 ( 0.887 -6.193 -3.836) 7.338 33.138 ( 1.205 -0.632 2.433) 2.788 33.231 ( 9.344 -1.260 -0.695) 9.454 33.564 ( -5.962 -0.968 -5.004) 7.844 33.761 ( -3.712 -0.718 -2.530) 4.549 34.009 ( -4.982 3.338 3.304) 6.847 34.396 ( 6.383 -4.618 -8.748) 11.773 ======================= Grid point 96 (51/78) ======================= q-point: ( 0.38 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -7.700 3.395 2.910) 8.904 1.827 ( 0.167 1.327 -0.038) 1.338 1.975 ( 8.116 -3.525 -13.048) 15.765 2.128 ( -9.306 -10.245 0.618) 13.854 2.240 ( -0.816 4.174 2.508) 4.937 2.403 ( 3.489 5.623 -1.229) 6.731 2.498 ( -1.770 -0.035 -0.954) 2.011 2.574 ( -0.498 -3.264 -5.131) 6.102 2.711 ( 2.126 2.319 0.305) 3.161 2.729 ( -1.281 -1.904 7.857) 8.185 2.851 ( -6.534 10.225 -1.814) 12.269 2.976 ( -0.091 2.195 11.616) 11.822 3.014 ( -3.588 -1.287 1.685) 4.168 3.089 ( -1.801 2.694 -1.006) 3.393 3.151 ( -0.494 -2.255 3.149) 3.904 3.264 ( 4.576 0.195 4.771) 6.614 3.312 ( 1.718 1.455 8.901) 9.181 3.444 ( 0.198 2.321 2.195) 3.201 3.458 ( 2.804 1.822 5.288) 6.257 3.618 ( 1.530 -1.576 4.618) 5.113 3.797 ( 7.732 -5.914 0.429) 9.743 3.962 ( 15.707 -2.249 -7.569) 17.580 3.993 ( 5.015 -10.937 0.456) 12.041 4.107 ( -6.211 -3.943 -7.272) 10.344 4.264 ( 1.840 -3.514 -11.509) 12.173 4.328 ( -5.983 1.094 -1.547) 6.276 4.432 ( 7.004 -5.214 5.457) 10.297 4.492 ( 12.476 -1.670 5.526) 13.747 4.636 ( -1.345 3.626 2.178) 4.439 4.666 ( 5.007 5.627 1.272) 7.639 4.847 ( 11.157 6.440 4.934) 13.795 4.899 ( -6.489 2.856 7.332) 10.199 4.993 ( 3.896 -0.308 -12.699) 13.287 5.118 ( 6.529 -2.380 -0.938) 7.013 5.209 ( 2.855 -3.954 -3.105) 5.781 5.362 ( 6.895 -0.739 1.729) 7.146 5.499 ( 7.335 8.160 3.717) 11.584 5.781 ( 5.570 1.401 8.088) 9.921 5.871 ( -8.111 5.416 -2.861) 10.164 6.086 ( 1.266 10.283 3.259) 10.861 6.193 ( -1.075 6.821 -2.511) 7.348 6.265 ( -6.714 -3.447 -1.871) 7.775 6.411 ( 1.301 6.617 -4.671) 8.203 6.572 ( 4.185 -8.309 0.400) 9.312 6.644 ( 9.242 -1.825 0.461) 9.431 6.730 ( 4.527 -7.109 2.796) 8.880 6.825 ( 0.527 -0.196 -6.351) 6.376 6.945 ( 4.369 1.374 1.322) 4.767 7.029 ( 2.666 -4.587 2.705) 5.956 7.134 ( -4.054 -4.921 -1.731) 6.606 7.350 ( 7.033 0.073 -5.962) 9.221 7.381 ( -2.013 1.633 4.973) 5.609 7.530 ( -12.000 -2.125 -2.606) 12.463 7.599 ( -3.670 -11.767 5.749) 13.601 7.880 ( -14.548 -3.842 4.983) 15.851 7.951 ( -7.848 0.825 -8.054) 11.276 8.081 ( 0.752 0.445 0.823) 1.200 8.210 ( -5.584 -10.752 6.230) 13.624 8.380 ( -1.596 -5.741 2.723) 6.552 8.508 ( -2.126 -0.111 -0.114) 2.132 8.904 ( -1.791 -0.641 0.450) 1.954 9.112 ( 0.258 -5.508 -2.143) 5.916 9.181 ( -5.059 3.676 -1.436) 6.417 9.306 ( -5.753 -4.325 -6.229) 9.518 9.431 ( -7.873 13.188 -0.518) 15.368 9.675 ( 2.182 5.355 -2.302) 6.224 9.742 ( 7.350 6.193 -12.763) 15.977 9.900 ( -3.872 7.271 -4.060) 9.183 10.340 ( 7.311 1.513 3.168) 8.110 10.482 ( 0.758 3.385 3.057) 4.624 10.767 ( 0.436 1.049 6.580) 6.677 10.859 ( 2.790 -2.806 2.110) 4.484 11.048 ( 0.578 0.181 4.365) 4.407 11.197 ( -6.427 1.240 4.186) 7.769 11.299 ( -3.377 -6.078 1.700) 7.158 11.387 ( -6.325 0.436 6.930) 9.392 11.541 ( -0.723 0.587 0.416) 1.020 11.720 ( -9.163 8.186 3.048) 12.660 11.783 ( -8.538 1.648 3.408) 9.340 11.862 ( -3.401 0.778 4.835) 5.962 12.005 ( 1.455 -7.437 -3.940) 8.541 12.211 ( -8.127 1.118 5.522) 9.889 12.358 ( 3.725 1.769 -6.920) 8.056 12.467 ( 7.492 -3.475 -6.155) 10.300 12.865 ( 1.703 2.036 4.319) 5.069 12.922 ( 8.315 5.491 -0.633) 9.984 13.102 ( 0.256 -3.511 2.461) 4.296 13.238 ( 6.796 0.394 -3.397) 7.608 13.600 ( 20.085 2.047 4.829) 20.758 13.755 ( 14.710 -3.762 -1.026) 15.218 13.851 ( 6.265 -0.596 -0.731) 6.336 14.055 ( -1.684 -6.129 -11.343) 13.003 14.255 ( -0.378 3.230 -5.258) 6.182 14.553 ( 7.801 -3.590 0.850) 8.630 14.625 ( 8.598 0.191 4.991) 9.944 14.683 ( 3.936 -0.353 4.952) 6.336 15.419 ( -1.858 3.749 -0.202) 4.189 15.771 ( -6.901 -6.333 -1.419) 9.473 16.841 ( -6.481 8.289 -2.972) 10.934 17.557 ( -11.522 -8.568 -9.815) 17.392 18.255 ( 0.402 2.654 1.775) 3.218 18.340 ( -2.519 3.512 -0.459) 4.347 18.948 ( -16.946 2.343 12.301) 21.071 19.113 ( -5.882 -1.481 -7.851) 9.922 19.605 ( 5.688 5.093 11.139) 13.504 20.345 ( 9.031 -16.080 -7.526) 19.919 21.147 ( -1.584 13.408 -2.609) 13.751 21.627 ( -0.051 -2.526 -9.384) 9.718 21.917 ( 7.123 -0.543 2.933) 7.722 21.967 ( 1.807 -3.268 -1.732) 4.116 22.151 ( -2.742 2.427 0.729) 3.734 22.263 ( -5.478 -1.823 12.076) 13.385 22.436 ( 1.212 3.707 -3.906) 5.520 22.656 ( 2.212 4.933 -4.701) 7.164 22.834 ( 1.411 -5.634 -1.942) 6.124 23.051 ( -1.049 -3.330 -3.758) 5.129 28.524 ( 5.275 0.361 1.040) 5.388 28.541 ( 4.337 0.203 2.036) 4.795 28.848 ( 4.082 0.951 2.618) 4.941 29.075 ( 1.394 -5.816 3.663) 7.013 29.581 ( -6.055 5.499 5.489) 9.851 29.827 ( -0.289 0.643 -6.758) 6.794 30.151 ( -0.664 -3.470 2.670) 4.428 30.411 ( -0.493 5.729 6.168) 8.432 30.624 ( -1.211 -1.530 -0.782) 2.103 30.746 ( -0.349 0.666 4.194) 4.261 30.887 ( -2.323 -9.828 -2.794) 10.478 31.119 ( 2.688 -13.228 6.659) 15.052 31.187 ( -2.063 5.126 -5.933) 8.107 31.406 ( 1.090 -1.581 2.721) 3.330 31.685 ( -4.830 5.634 1.465) 7.564 31.853 ( 4.673 8.903 1.239) 10.131 32.025 ( 3.958 -4.642 -6.266) 8.745 32.068 ( 2.836 1.478 0.573) 3.249 32.548 ( -6.822 6.281 1.964) 9.479 32.598 ( -4.499 9.896 -1.694) 11.002 32.726 ( -2.191 3.276 6.088) 7.253 33.015 ( 2.322 -9.860 -1.790) 10.287 33.149 ( -1.196 -0.929 -0.707) 1.671 33.392 ( 0.299 -9.234 -0.748) 9.269 33.402 ( 3.668 7.183 -6.167) 10.153 33.740 ( 2.062 4.918 -0.726) 5.382 33.937 ( -6.082 -0.059 3.006) 6.785 34.398 ( 4.430 -5.908 -9.432) 11.979 ======================= Grid point 97 (52/78) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -0.030 1.360 6.282) 6.427 1.790 ( -2.564 3.250 -3.237) 5.255 1.953 ( 3.240 -4.805 -1.086) 5.896 2.100 ( 1.068 -0.448 0.920) 1.479 2.236 ( -4.686 7.095 2.784) 8.947 2.345 ( -6.827 5.724 -6.127) 10.812 2.479 ( -8.139 -0.338 -4.588) 9.349 2.499 ( 3.807 7.291 -1.135) 8.303 2.576 ( -6.348 2.690 -4.200) 8.073 2.738 ( 0.411 7.514 -1.375) 7.649 2.791 ( 2.207 -1.968 5.162) 5.949 2.968 ( -4.850 -3.831 -1.709) 6.412 2.991 ( -10.419 8.503 11.845) 17.921 3.113 ( 2.985 -1.972 4.645) 5.863 3.213 ( -0.514 -3.222 6.575) 7.340 3.304 ( -4.309 4.703 4.012) 7.535 3.358 ( -6.943 1.877 -1.431) 7.333 3.497 ( -4.516 -9.432 9.651) 14.230 3.522 ( 7.206 -5.850 2.655) 9.654 3.716 ( 1.077 1.429 11.548) 11.686 3.793 ( -5.250 3.007 -5.093) 7.908 3.922 ( 2.736 -7.657 -5.643) 9.897 4.027 ( 10.162 -6.803 -4.322) 12.970 4.192 ( 2.281 -9.327 -1.536) 9.724 4.300 ( 5.464 -3.312 -4.912) 8.060 4.364 ( 1.762 -6.636 2.880) 7.446 4.394 ( 5.701 -8.417 -5.004) 11.331 4.564 ( -2.674 -7.202 3.450) 8.422 4.701 ( 0.294 5.272 2.989) 6.067 4.765 ( -5.782 -0.060 -6.925) 9.021 4.855 ( 0.316 9.339 -0.868) 9.385 4.920 ( -0.808 -3.479 -2.541) 4.384 5.027 ( -1.082 -0.353 5.566) 5.681 5.106 ( -6.432 2.548 -8.491) 10.952 5.289 ( 6.052 7.360 7.206) 11.946 5.586 ( 8.254 -1.866 -0.514) 8.478 5.697 ( 2.843 6.848 7.631) 10.640 5.744 ( 2.372 4.403 1.642) 5.264 5.923 ( -1.910 8.699 3.767) 9.670 5.973 ( -3.671 3.952 -5.664) 7.821 6.154 ( 1.901 2.955 0.140) 3.516 6.238 ( 3.835 -1.028 2.736) 4.822 6.428 ( 6.582 3.431 -0.194) 7.425 6.570 ( -13.201 -1.649 -2.290) 13.499 6.748 ( -0.099 -0.401 3.997) 4.018 6.826 ( 13.476 -4.707 -2.523) 14.496 6.913 ( 9.567 -2.300 -0.473) 9.851 6.976 ( 6.696 5.743 0.827) 8.860 7.051 ( -17.049 -0.223 -9.066) 19.311 7.143 ( -1.394 0.758 2.222) 2.731 7.240 ( 1.120 0.125 0.927) 1.459 7.298 ( -6.443 -1.575 -0.909) 6.695 7.392 ( -5.838 -6.827 5.121) 10.340 7.597 ( -1.233 -7.493 2.320) 7.940 7.615 ( -8.661 1.513 -5.679) 10.467 7.844 ( 7.599 -7.705 -6.132) 12.439 8.098 ( 3.374 -6.447 -2.064) 7.563 8.187 ( -5.242 -4.613 2.312) 7.356 8.457 ( 2.305 -7.382 10.251) 12.841 8.629 ( 7.800 -2.739 7.607) 11.235 8.844 ( -2.626 0.548 -5.152) 5.809 9.093 ( -5.631 -1.468 3.209) 6.645 9.106 ( 3.091 -4.319 -9.429) 10.822 9.169 ( -2.965 -5.330 0.248) 6.105 9.353 ( -2.115 13.394 0.853) 13.587 9.692 ( 4.574 2.820 -6.355) 8.323 9.743 ( 5.838 9.863 -9.237) 14.720 9.811 ( -1.316 7.654 -5.836) 9.715 10.460 ( 2.698 4.418 3.019) 5.993 10.514 ( -0.281 4.412 0.818) 4.496 10.820 ( -2.558 -0.700 4.773) 5.461 10.917 ( 4.105 2.648 0.197) 4.889 11.125 ( -1.584 -4.427 3.024) 5.590 11.152 ( 0.636 -4.997 4.312) 6.631 11.271 ( -4.021 1.167 5.732) 7.098 11.395 ( -2.000 -3.564 3.342) 5.279 11.530 ( -0.608 2.062 4.593) 5.071 11.675 ( -4.310 0.586 2.465) 4.999 11.701 ( -2.324 6.564 8.653) 11.106 11.872 ( -0.183 -1.584 4.287) 4.574 12.008 ( 3.618 -4.336 -3.802) 6.808 12.145 ( -5.303 1.134 5.778) 7.924 12.360 ( 4.999 3.049 -8.825) 10.591 12.460 ( 2.479 2.104 -11.334) 11.792 12.838 ( -9.168 3.088 6.078) 11.425 13.022 ( 2.687 2.646 -0.519) 3.806 13.083 ( -3.061 -2.928 1.072) 4.370 13.288 ( 2.820 -1.974 -4.690) 5.817 13.695 ( -8.689 1.520 3.211) 9.388 13.904 ( 0.468 -3.425 3.485) 4.909 13.956 ( 6.438 0.614 -7.770) 10.109 14.049 ( 1.792 -2.157 -6.005) 6.627 14.320 ( 13.014 -3.578 6.188) 14.848 14.649 ( 3.572 -5.037 -3.208) 6.959 14.769 ( 0.969 1.560 3.645) 4.082 14.793 ( 4.361 -0.550 3.255) 5.469 15.436 ( 3.424 3.833 1.410) 5.329 15.606 ( -5.844 -0.607 -6.196) 8.539 16.858 ( 7.998 3.528 3.785) 9.526 17.230 ( -10.735 -4.042 -14.419) 18.425 18.205 ( -9.240 2.142 5.142) 10.789 18.352 ( 3.647 -1.203 -1.718) 4.207 18.793 ( -9.482 2.447 6.238) 11.611 19.051 ( 7.688 -2.170 -6.584) 10.352 19.813 ( 1.788 4.769 14.146) 15.035 20.383 ( 3.955 -11.385 -9.299) 15.223 21.120 ( 0.734 9.004 1.202) 9.113 21.530 ( 2.420 -4.082 -12.748) 13.603 21.960 ( -2.037 -0.306 0.358) 2.091 22.027 ( 1.642 -0.816 1.273) 2.232 22.109 ( -3.102 3.822 3.404) 5.985 22.297 ( -4.349 -0.826 10.330) 11.238 22.390 ( -1.352 4.276 -4.323) 6.229 22.662 ( 3.827 2.509 -5.009) 6.784 22.852 ( 2.262 -5.685 -0.460) 6.136 22.964 ( -3.344 -3.101 -5.265) 6.966 28.597 ( -0.513 0.727 1.648) 1.872 28.606 ( 2.200 0.425 1.198) 2.541 28.945 ( 2.833 -1.307 5.387) 6.225 29.051 ( -4.891 -4.160 -0.131) 6.422 29.527 ( -6.677 6.402 4.736) 10.392 29.773 ( 3.187 2.994 -6.128) 7.528 30.222 ( 1.673 -4.923 6.885) 8.628 30.491 ( 2.906 -3.081 -1.303) 4.432 30.619 ( 1.436 1.859 5.365) 5.857 30.778 ( -0.659 0.835 1.786) 2.079 30.845 ( 0.003 -6.483 -0.419) 6.497 31.083 ( -1.345 5.139 -7.636) 9.302 31.215 ( 1.128 -13.982 6.966) 15.662 31.398 ( -3.570 -4.683 -1.194) 6.008 31.692 ( 1.193 3.626 6.661) 7.677 31.912 ( -0.954 -2.003 1.409) 2.628 32.061 ( 4.834 1.765 -4.175) 6.627 32.143 ( 6.878 5.142 -1.266) 8.680 32.400 ( -9.475 9.975 -0.453) 13.765 32.501 ( -2.466 13.135 -2.996) 13.696 32.793 ( 0.633 0.095 8.951) 8.974 33.045 ( -0.925 -3.281 -0.520) 3.448 33.088 ( 0.034 -7.406 -3.634) 8.249 33.248 ( -3.211 -5.154 -5.860) 8.439 33.557 ( 7.475 4.740 0.800) 8.888 33.724 ( -1.170 11.021 -6.094) 12.648 33.923 ( -1.965 -4.725 8.542) 9.957 34.357 ( 2.848 -6.807 -10.978) 13.228 ======================= Grid point 98 (53/78) ======================= q-point: (-0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -10.019 4.068 6.471) 12.602 1.706 ( -9.501 7.813 -1.666) 12.413 1.923 ( -7.837 4.669 -7.685) 11.928 2.148 ( 4.111 -4.140 1.010) 5.921 2.159 ( 0.619 9.131 4.315) 10.118 2.248 ( -0.452 1.648 2.821) 3.298 2.355 ( -2.543 -2.458 0.176) 3.541 2.509 ( -2.067 2.053 4.244) 5.148 2.562 ( 4.152 5.736 -0.773) 7.123 2.789 ( 3.015 5.460 1.121) 6.337 2.845 ( -6.541 -2.833 2.257) 7.478 2.902 ( -2.223 0.054 7.765) 8.077 2.936 ( -1.572 7.075 6.596) 9.800 3.169 ( -5.804 -3.600 5.956) 9.062 3.251 ( -5.317 1.624 -1.081) 5.664 3.266 ( 2.355 1.151 4.214) 4.962 3.276 ( -3.505 -0.742 6.121) 7.092 3.525 ( 0.748 0.482 7.208) 7.262 3.572 ( -7.797 -3.500 -0.505) 8.562 3.705 ( -4.373 3.263 0.552) 5.484 3.760 ( -6.903 -17.451 1.009) 18.794 3.992 ( 6.719 -7.501 -0.909) 10.111 4.055 ( -3.339 0.616 -11.516) 12.006 4.121 ( -2.515 -4.169 -10.928) 11.963 4.257 ( 0.405 -4.996 -1.313) 5.181 4.278 ( -14.435 -10.943 4.332) 18.625 4.360 ( -3.639 -5.145 3.390) 7.156 4.517 ( -3.330 -0.396 -5.737) 6.645 4.669 ( 4.027 -9.262 -7.933) 12.842 4.678 ( -7.565 3.328 -0.677) 8.292 4.785 ( -3.767 3.862 6.054) 8.109 4.844 ( 4.549 6.038 6.700) 10.102 5.027 ( 2.049 3.715 2.756) 5.059 5.204 ( 7.243 -2.486 -4.335) 8.799 5.396 ( -1.765 3.829 6.911) 8.095 5.557 ( -8.075 7.332 -8.889) 14.070 5.564 ( -7.362 -2.201 -6.903) 10.330 5.791 ( -1.021 3.715 2.943) 4.848 5.914 ( 2.017 8.220 2.921) 8.954 6.029 ( 2.285 0.123 2.602) 3.465 6.243 ( 2.657 -3.151 -4.959) 6.448 6.335 ( 3.981 4.016 -1.099) 5.761 6.359 ( -5.698 -2.130 0.420) 6.097 6.457 ( -3.724 2.960 1.349) 4.945 6.641 ( -14.656 7.208 -5.133) 17.120 6.760 ( 1.907 0.949 2.062) 2.965 6.886 ( -9.060 0.782 -6.063) 10.930 6.956 ( -1.222 -0.120 -0.763) 1.445 7.106 ( -13.293 5.698 -2.104) 14.615 7.141 ( 3.109 -3.639 0.162) 4.789 7.148 ( 0.730 0.660 2.175) 2.387 7.392 ( 9.556 -3.822 5.328) 11.589 7.431 ( 17.228 -1.516 0.957) 17.321 7.534 ( 5.667 -4.122 6.842) 9.793 7.773 ( 6.230 -3.510 1.592) 7.325 8.046 ( 13.175 -8.165 -0.297) 15.503 8.098 ( 3.459 -14.211 -1.634) 14.717 8.164 ( 2.920 -6.602 1.699) 7.416 8.618 ( 1.737 -1.753 8.569) 8.918 8.732 ( -1.732 0.471 -7.157) 7.378 8.802 ( 0.477 -4.860 4.269) 6.486 8.901 ( -3.210 1.267 -9.482) 10.090 9.186 ( 3.194 -6.816 2.156) 7.830 9.200 ( 7.045 -6.081 0.374) 9.315 9.364 ( 0.794 10.943 3.183) 11.424 9.678 ( -0.060 9.653 -8.408) 12.801 9.698 ( 3.252 4.472 -8.787) 10.381 9.814 ( 6.379 10.212 -2.500) 12.297 10.458 ( -4.855 3.815 -1.334) 6.317 10.523 ( 1.376 4.308 2.158) 5.011 10.794 ( -4.633 2.826 4.583) 7.103 10.963 ( 1.113 4.360 -3.075) 5.450 11.131 ( -6.329 -3.454 8.834) 11.403 11.158 ( -0.086 -5.805 0.735) 5.852 11.306 ( 0.662 0.344 -5.053) 5.107 11.396 ( 6.239 -1.218 8.154) 10.339 11.602 ( -2.168 -3.220 -0.172) 3.886 11.674 ( 1.540 -2.665 10.861) 11.289 11.819 ( 3.024 5.530 8.648) 10.701 11.942 ( 2.925 -4.194 2.717) 5.790 12.042 ( 4.770 0.158 -4.383) 6.480 12.146 ( -1.830 0.688 5.281) 5.631 12.316 ( 4.873 3.870 -12.658) 14.105 12.445 ( 6.371 4.035 -4.110) 8.588 12.703 ( -13.128 3.732 5.243) 14.620 12.946 ( -12.414 -3.357 6.663) 14.484 13.091 ( 2.514 0.719 -2.478) 3.602 13.230 ( -3.445 -3.654 -4.931) 7.038 13.524 ( -15.801 4.246 5.317) 17.204 13.875 ( -7.704 1.792 -7.110) 10.636 13.921 ( -2.617 3.030 -4.240) 5.832 13.987 ( 1.401 -3.650 1.796) 4.302 14.421 ( -8.383 -9.216 -6.796) 14.192 14.595 ( -3.859 -10.489 -2.665) 11.490 14.778 ( -1.375 1.942 -1.934) 3.066 14.895 ( 6.218 1.258 -2.580) 6.848 15.506 ( 1.327 3.199 -5.096) 6.161 15.602 ( 13.072 2.318 5.261) 14.280 16.945 ( -4.823 1.967 -11.358) 12.496 17.162 ( 17.634 -1.837 7.998) 19.450 18.090 ( -9.090 2.046 4.930) 10.541 18.399 ( 2.690 -2.680 1.128) 3.961 18.788 ( 0.806 5.271 7.273) 9.019 19.229 ( 18.137 -4.875 -4.435) 19.298 19.916 ( -5.685 3.880 12.007) 13.840 20.269 ( -1.262 -5.349 -16.863) 17.736 21.222 ( 5.712 3.245 6.523) 9.257 21.437 ( 1.776 -1.374 -14.071) 14.249 21.901 ( -4.807 0.602 2.111) 5.284 22.020 ( -3.030 -0.958 -0.679) 3.249 22.108 ( -5.161 1.007 8.221) 9.758 22.257 ( -3.124 0.930 -2.533) 4.128 22.387 ( -0.410 4.725 6.820) 8.307 22.675 ( 3.918 0.102 -5.943) 7.119 22.842 ( -4.328 -2.560 -3.698) 6.242 22.909 ( 2.731 -4.877 1.633) 5.823 28.556 ( -4.918 0.795 0.312) 4.992 28.604 ( -3.367 -0.015 -0.076) 3.368 28.914 ( -7.996 -0.220 -0.692) 8.029 29.089 ( 4.920 -4.152 5.922) 8.748 29.456 ( -6.372 4.505 5.231) 9.394 29.804 ( 4.203 0.547 -3.070) 5.233 30.310 ( 1.066 -5.792 2.708) 6.482 30.486 ( 3.615 -4.742 -4.217) 7.303 30.719 ( -1.452 -0.149 -1.311) 1.962 30.792 ( 5.625 -0.257 4.047) 6.934 30.883 ( 1.165 0.276 3.977) 4.153 31.003 ( 1.354 2.953 -6.917) 7.642 31.293 ( -1.102 -8.720 4.041) 9.674 31.337 ( -0.468 -9.797 1.285) 9.891 31.759 ( -2.778 -2.451 4.903) 6.145 31.861 ( -4.347 -2.583 -2.472) 5.628 32.010 ( -2.333 5.095 -7.302) 9.204 32.207 ( 0.842 0.711 -5.307) 5.421 32.339 ( -0.266 12.353 8.285) 14.876 32.541 ( 9.353 17.897 2.620) 20.363 32.890 ( -1.945 -3.442 7.663) 8.623 32.950 ( -1.206 -0.251 -3.480) 3.691 33.144 ( 3.540 -2.905 1.181) 4.729 33.165 ( -0.166 -5.440 -3.477) 6.459 33.588 ( -3.382 7.025 -7.150) 10.579 33.671 ( 2.905 7.987 -2.258) 8.794 33.984 ( -2.618 -3.487 9.718) 10.651 34.290 ( 3.474 -7.261 -11.658) 14.167 ======================= Grid point 99 (54/78) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -24.480 10.215 4.332) 26.877 1.474 ( -15.911 9.568 12.150) 22.189 1.813 ( -0.889 6.334 2.311) 6.801 2.103 ( -6.174 -3.465 -2.769) 7.602 2.217 ( 6.146 -9.397 3.503) 11.762 2.254 ( -6.937 -0.874 0.492) 7.009 2.459 ( 1.784 4.582 6.938) 8.504 2.524 ( -9.517 1.566 9.887) 13.813 2.630 ( 5.078 2.928 -1.875) 6.154 2.714 ( -11.853 4.571 11.118) 16.882 2.855 ( -9.417 -3.934 0.191) 10.207 2.875 ( 0.376 3.499 5.850) 6.827 3.022 ( 3.078 3.276 4.532) 6.383 3.077 ( -4.307 1.190 1.344) 4.667 3.198 ( -2.006 -8.735 -0.653) 8.986 3.255 ( -0.657 -1.468 -1.078) 1.936 3.330 ( -3.378 2.444 6.170) 7.447 3.421 ( -5.776 -0.524 -3.376) 6.711 3.463 ( -10.539 4.716 -4.263) 12.308 3.507 ( -8.622 1.035 2.258) 8.972 3.617 ( -6.668 1.243 -4.289) 8.025 3.831 ( -3.153 0.654 -9.903) 10.414 3.917 ( -17.322 -3.070 2.877) 17.826 4.042 ( -8.919 -10.311 3.447) 14.062 4.205 ( -4.230 -4.751 3.521) 7.271 4.284 ( 8.934 -7.463 4.228) 12.385 4.453 ( 5.988 -1.038 -10.802) 12.395 4.538 ( 2.243 -5.385 -2.096) 6.199 4.571 ( 13.952 3.914 -0.457) 14.497 4.675 ( -4.851 2.743 -3.738) 6.710 4.827 ( 6.033 1.606 5.294) 8.186 4.917 ( -1.357 4.937 -1.637) 5.376 5.062 ( -7.352 -3.288 3.991) 8.988 5.182 ( 0.770 -5.011 -5.866) 7.754 5.243 ( -2.082 1.183 -7.906) 8.260 5.375 ( -2.615 -6.576 -6.274) 9.458 5.538 ( 4.356 -4.755 -0.842) 6.503 5.804 ( 1.351 7.320 -1.371) 7.569 5.910 ( -3.927 4.827 -0.299) 6.230 5.966 ( -9.411 5.018 -0.787) 10.694 6.230 ( 3.609 0.850 5.705) 6.804 6.298 ( -3.212 -2.752 -0.510) 4.260 6.358 ( -9.043 9.554 -5.567) 14.285 6.464 ( 10.937 8.427 0.121) 13.807 6.617 ( 2.957 -2.097 -0.346) 3.641 6.673 ( -10.114 -7.286 3.046) 12.832 6.713 ( 1.881 2.847 1.204) 3.618 6.878 ( -5.952 2.225 2.419) 6.800 6.985 ( 2.453 4.723 -0.060) 5.322 7.070 ( -7.621 1.892 -3.560) 8.622 7.213 ( -1.099 -6.910 -0.608) 7.023 7.464 ( -6.210 1.024 -2.118) 6.641 7.626 ( 3.545 -2.872 2.888) 5.400 7.765 ( 3.468 -8.864 -2.478) 9.836 7.924 ( 13.546 0.822 9.872) 16.782 8.110 ( 2.158 -7.854 -0.078) 8.146 8.257 ( 4.358 -11.071 4.798) 12.829 8.398 ( 12.612 -9.517 3.307) 16.142 8.543 ( 0.353 -6.377 -9.497) 11.445 8.633 ( -2.999 -1.927 -8.603) 9.312 8.787 ( 3.647 2.704 3.903) 5.987 8.954 ( 2.699 1.000 2.697) 3.944 9.263 ( 2.778 -5.790 2.105) 6.758 9.342 ( 7.381 -4.724 0.160) 8.765 9.435 ( 4.873 6.404 1.277) 8.147 9.595 ( -1.078 10.481 0.105) 10.537 9.735 ( 9.502 9.796 -7.932) 15.785 9.927 ( 7.950 8.669 0.547) 11.775 10.307 ( -9.011 3.499 -4.656) 10.729 10.570 ( 1.996 -0.181 1.223) 2.348 10.781 ( -3.081 5.463 6.006) 8.684 10.914 ( -0.107 3.663 -5.227) 6.383 11.113 ( -3.218 -1.231 8.700) 9.358 11.227 ( 4.510 -4.053 5.504) 8.189 11.309 ( 6.328 0.985 -5.144) 8.214 11.510 ( -4.017 -2.363 3.571) 5.871 11.697 ( 9.104 -1.085 1.870) 9.357 11.748 ( -0.773 -1.098 6.617) 6.752 11.907 ( 2.523 -4.317 3.393) 6.043 12.040 ( 5.969 0.686 -2.225) 6.407 12.091 ( 3.891 -4.964 -4.827) 7.943 12.166 ( 3.314 2.446 3.936) 5.697 12.335 ( 3.530 5.330 -4.377) 7.748 12.482 ( -16.170 4.129 5.801) 17.669 12.538 ( 4.565 -0.351 -5.331) 7.027 12.781 ( -13.921 -4.885 8.065) 16.814 13.086 ( -5.606 -1.989 -3.422) 6.862 13.096 ( -3.374 -0.157 -0.173) 3.383 13.255 ( -18.528 3.212 1.866) 18.896 13.510 ( -19.953 7.809 -16.242) 26.887 13.856 ( -7.297 -3.914 -0.267) 8.285 13.970 ( -1.688 -5.048 -1.461) 5.519 14.189 ( -4.275 -3.902 -3.031) 6.534 14.435 ( -12.431 -6.684 -0.805) 14.137 14.671 ( -3.404 5.339 -8.760) 10.809 14.888 ( 1.128 -0.849 -9.927) 10.027 15.526 ( 5.078 3.564 -3.201) 6.981 15.922 ( 15.413 -6.262 0.903) 16.661 16.882 ( 6.176 10.279 0.128) 11.992 17.547 ( 14.457 -7.496 7.812) 18.062 18.032 ( -2.769 7.034 6.039) 9.675 18.476 ( 4.801 -1.156 0.631) 4.979 18.937 ( 4.176 6.389 11.249) 13.594 19.531 ( 15.518 -9.440 1.733) 18.247 19.878 ( -5.483 3.664 3.570) 7.498 20.039 ( -1.287 -2.092 -21.465) 21.605 21.267 ( -4.662 3.109 -7.632) 9.468 21.433 ( 5.870 1.626 5.894) 8.477 21.859 ( -6.073 -2.301 -0.735) 6.536 21.895 ( -3.800 -1.211 -0.006) 3.988 22.098 ( -5.961 0.336 8.893) 10.711 22.227 ( 1.076 -0.141 -0.488) 1.190 22.471 ( 2.431 4.714 6.037) 8.035 22.676 ( 3.284 -0.874 -6.293) 7.152 22.759 ( -2.489 -1.882 0.938) 3.258 22.971 ( 1.451 -4.562 2.223) 5.278 28.455 ( -5.914 0.434 -0.670) 5.967 28.502 ( -6.653 -0.495 -1.428) 6.822 28.755 ( -9.416 2.705 -0.353) 9.803 29.179 ( -0.743 -8.741 -3.639) 9.497 29.458 ( -1.810 1.633 11.495) 11.751 29.791 ( -5.364 -9.501 1.107) 10.967 30.302 ( 3.515 -0.537 -7.286) 8.108 30.560 ( 4.906 -0.637 0.209) 4.952 30.659 ( -0.985 2.558 -2.964) 4.037 30.894 ( 3.457 -0.361 -2.852) 4.496 30.929 ( 3.501 -2.497 -0.592) 4.341 31.051 ( 4.936 3.201 4.773) 7.576 31.250 ( -3.387 -10.147 -4.536) 11.619 31.377 ( -0.355 -10.250 4.070) 11.035 31.628 ( -11.677 5.150 -0.968) 12.799 31.781 ( -1.925 0.144 1.038) 2.192 31.957 ( 0.471 1.674 -1.041) 2.027 32.146 ( -0.719 0.188 -4.215) 4.280 32.450 ( 1.115 8.114 9.349) 12.429 32.786 ( 10.348 10.350 2.698) 14.882 32.860 ( 2.143 -1.057 -4.504) 5.099 32.980 ( -1.077 -0.793 4.773) 4.957 33.113 ( 1.122 -0.138 -5.551) 5.665 33.294 ( 8.732 7.322 6.470) 13.104 33.404 ( -6.867 2.601 -9.181) 11.756 33.675 ( 0.123 3.568 -0.088) 3.571 34.021 ( -4.333 -1.190 9.212) 10.250 34.272 ( 7.024 -5.878 -9.351) 13.089 ======================= Grid point 100 (55/78) ======================= q-point: (-0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -16.140 8.535 22.517) 28.989 1.265 ( -23.177 8.839 22.287) 33.346 1.877 ( -4.022 1.820 6.186) 7.600 2.029 ( -1.283 0.561 3.267) 3.554 2.130 ( -3.214 2.926 8.010) 9.113 2.309 ( -4.533 -5.287 0.351) 6.973 2.431 ( -8.240 5.424 9.045) 13.384 2.463 ( -3.486 -3.721 2.184) 5.547 2.625 ( -3.235 -6.048 -0.101) 6.860 2.685 ( -1.887 -2.087 2.235) 3.593 2.762 ( -2.677 0.626 0.110) 2.752 2.842 ( -10.923 -3.078 0.487) 11.359 2.929 ( -6.113 3.167 -1.594) 7.066 2.992 ( -6.462 1.126 1.655) 6.765 3.129 ( -1.646 5.383 -1.267) 5.770 3.248 ( -2.795 -1.879 -3.070) 4.557 3.274 ( -11.956 7.133 -0.323) 13.926 3.328 ( 0.498 5.532 -1.354) 5.717 3.356 ( 1.563 2.253 -4.652) 5.400 3.491 ( 3.876 -0.932 1.827) 4.385 3.608 ( 5.659 4.271 0.555) 7.112 3.641 ( -9.758 1.514 2.999) 10.320 3.777 ( -3.179 -5.682 -3.122) 7.221 3.863 ( -11.509 -2.769 4.526) 12.673 4.009 ( -12.172 2.006 -14.486) 19.026 4.360 ( 3.880 -7.622 -8.562) 12.102 4.420 ( -2.191 1.098 -4.174) 4.840 4.464 ( 0.882 -2.870 2.729) 4.057 4.701 ( 8.763 1.651 -2.209) 9.187 4.788 ( -2.583 -7.175 -2.552) 8.041 4.851 ( 13.503 0.858 1.507) 13.613 4.976 ( -10.852 -11.274 -10.748) 18.984 5.088 ( 11.836 -6.756 12.314) 18.368 5.228 ( 6.832 -1.685 5.240) 8.774 5.325 ( 8.047 -7.132 -1.756) 10.895 5.336 ( 4.501 -4.947 2.258) 7.059 5.577 ( 6.271 14.087 -4.977) 16.203 5.698 ( -12.322 4.824 -1.973) 13.379 5.838 ( -1.269 11.768 -2.994) 12.209 5.975 ( 6.247 0.304 9.808) 11.633 6.136 ( -10.445 -0.478 -2.116) 10.668 6.291 ( 3.274 8.348 1.903) 9.167 6.328 ( -0.435 0.678 2.269) 2.407 6.428 ( -3.949 -3.248 -12.692) 13.684 6.468 ( -1.956 6.753 -7.535) 10.306 6.765 ( -2.744 2.511 1.803) 4.133 6.807 ( -7.795 1.388 -6.196) 10.054 6.870 ( -0.160 -2.457 1.620) 2.948 6.935 ( 6.911 -2.305 0.372) 7.295 7.051 ( 0.143 0.379 6.867) 6.879 7.132 ( -3.907 -2.145 1.435) 4.682 7.294 ( -3.157 -0.635 -1.273) 3.463 7.616 ( -4.001 -2.910 -2.110) 5.379 7.757 ( -2.130 -4.489 -6.150) 7.906 7.949 ( -5.658 -15.257 -5.202) 17.084 8.174 ( -0.464 -16.037 0.687) 16.058 8.365 ( 1.860 -3.479 3.081) 5.005 8.429 ( 2.926 -7.171 4.550) 8.983 8.643 ( 3.888 1.229 1.288) 4.277 8.698 ( 9.668 -4.742 -1.337) 10.851 8.863 ( 1.878 2.440 3.042) 4.329 9.008 ( 0.560 3.524 4.710) 5.909 9.324 ( 4.561 -3.647 -2.730) 6.446 9.431 ( 5.570 -0.388 -3.626) 6.658 9.537 ( 5.551 8.031 0.172) 9.764 9.689 ( 5.624 5.913 8.825) 12.020 9.841 ( 6.916 10.054 -0.857) 12.233 10.074 ( -9.864 6.379 -5.777) 13.091 10.097 ( 8.007 5.224 3.647) 10.232 10.624 ( 2.827 -6.241 0.045) 6.851 10.795 ( 1.055 5.537 -1.197) 5.762 10.841 ( -5.691 4.988 0.771) 7.607 11.273 ( 6.515 -6.480 9.836) 13.460 11.374 ( 8.774 0.831 -4.808) 10.040 11.379 ( 3.877 -1.070 1.623) 4.337 11.484 ( -2.851 0.439 7.623) 8.151 11.710 ( -5.102 -2.153 2.323) 6.005 11.813 ( 2.879 -2.968 -8.523) 9.473 11.971 ( -1.142 -3.287 0.168) 3.483 12.101 ( 1.420 -2.529 -3.822) 4.798 12.110 ( 1.936 2.316 -2.847) 4.150 12.241 ( -5.210 -0.834 4.373) 6.853 12.265 ( 0.321 1.477 3.331) 3.658 12.388 ( -3.463 1.579 1.281) 4.016 12.424 ( -0.699 4.582 -0.648) 4.680 12.684 ( -7.690 -2.617 1.347) 8.234 12.769 ( -16.647 2.834 -3.589) 17.263 13.018 ( -12.613 3.827 -3.647) 13.676 13.066 ( -7.206 0.669 -4.005) 8.271 13.097 ( 0.004 0.670 -1.985) 2.095 13.716 ( -4.367 -9.234 2.235) 10.456 14.012 ( -0.835 -0.046 5.499) 5.562 14.109 ( -5.513 -6.450 -0.977) 8.541 14.199 ( -10.730 -4.870 -0.695) 11.804 14.545 ( 1.445 9.121 -10.598) 14.057 14.786 ( 0.592 -0.723 -11.210) 11.249 15.605 ( 6.340 3.279 -0.859) 7.189 16.037 ( 2.459 -8.789 -8.074) 12.185 17.166 ( 17.610 11.681 10.177) 23.455 17.750 ( 2.556 -8.113 4.457) 9.603 18.104 ( 1.797 12.982 5.038) 14.040 18.547 ( 2.769 4.330 -2.153) 5.572 19.094 ( -3.028 1.302 14.759) 15.123 19.588 ( -13.409 -8.458 8.621) 18.046 19.864 ( 8.302 2.188 -17.174) 19.200 19.996 ( 19.619 -0.907 -12.340) 23.195 21.089 ( -9.310 3.390 -1.203) 9.980 21.459 ( -7.166 -2.592 -3.217) 8.272 21.784 ( 1.564 3.169 3.124) 4.717 21.913 ( 1.942 0.156 0.657) 2.056 22.095 ( -4.752 -0.961 9.408) 10.584 22.262 ( 2.526 -3.516 0.493) 4.358 22.579 ( 2.597 4.738 4.117) 6.793 22.670 ( 3.838 -1.332 -4.433) 6.013 22.777 ( 1.417 -4.792 1.815) 5.317 22.991 ( -1.145 -3.693 1.119) 4.025 28.360 ( -3.630 0.075 -0.794) 3.716 28.381 ( -4.738 -0.338 -1.406) 4.954 28.605 ( -7.026 1.903 0.387) 7.290 28.893 ( -19.587 -7.485 -9.887) 23.182 29.559 ( -2.678 0.320 11.508) 11.819 29.781 ( 0.317 -11.381 11.123) 15.917 30.332 ( 7.422 8.053 -6.660) 12.817 30.602 ( 1.917 1.728 -2.448) 3.557 30.642 ( -0.103 -0.157 -0.163) 0.249 30.903 ( 2.565 0.273 -4.421) 5.118 31.037 ( 6.037 -3.611 2.479) 7.459 31.080 ( -5.146 -7.522 -7.874) 12.044 31.157 ( -0.700 1.486 1.551) 2.259 31.299 ( -7.888 -0.674 -0.301) 7.923 31.593 ( 5.597 1.640 3.719) 6.917 31.762 ( -3.904 -1.929 3.300) 5.464 31.970 ( -0.806 1.631 3.094) 3.589 32.121 ( 1.621 -0.675 -2.125) 2.757 32.534 ( -1.392 4.638 7.305) 8.764 32.856 ( 2.503 -0.240 -5.412) 5.968 32.885 ( 0.565 5.827 -0.047) 5.854 32.953 ( -4.169 2.368 -0.846) 4.869 33.055 ( 0.163 -0.553 -7.085) 7.109 33.209 ( -3.803 3.605 -4.237) 6.739 33.643 ( 17.865 1.376 4.166) 18.396 33.721 ( 3.784 0.073 4.169) 5.631 34.023 ( -4.217 2.746 6.977) 8.602 34.314 ( 6.804 -2.855 -8.267) 11.081 ======================= Grid point 101 (56/78) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -1.950 20.121 17.286) 26.598 1.605 ( 13.565 14.985 22.114) 29.960 1.853 ( 2.952 -6.709 5.512) 9.171 1.908 ( 2.429 -15.283 3.835) 15.943 2.048 ( -3.847 -2.606 -2.165) 5.127 2.106 ( 7.034 -7.310 5.099) 11.353 2.444 ( -1.678 6.258 -3.017) 7.147 2.512 ( -5.557 1.102 5.461) 7.869 2.644 ( -2.124 -0.363 0.556) 2.225 2.664 ( 2.857 -1.762 -0.120) 3.359 2.704 ( 0.604 2.120 -2.755) 3.529 2.779 ( 0.137 -3.515 0.585) 3.566 2.983 ( -7.400 5.912 3.685) 10.164 2.998 ( -0.805 7.178 -1.262) 7.333 3.083 ( -3.346 -1.622 3.007) 4.782 3.125 ( 0.018 -3.326 1.687) 3.730 3.196 ( -1.648 2.128 -5.519) 6.141 3.262 ( -4.557 -0.312 -9.680) 10.704 3.360 ( -9.325 2.494 -0.147) 9.653 3.456 ( -9.719 -2.437 -4.562) 11.010 3.566 ( 0.639 0.644 -2.561) 2.717 3.584 ( -0.543 0.368 -1.858) 1.971 3.683 ( 1.889 0.225 1.315) 2.312 3.720 ( -5.531 -2.120 -2.820) 6.561 3.989 ( 2.798 4.837 -4.333) 7.071 4.109 ( 0.833 -8.732 -6.805) 11.102 4.456 ( 5.136 4.140 -2.371) 7.010 4.519 ( -0.719 -1.117 -0.260) 1.354 4.681 ( -3.373 -2.429 7.162) 8.280 4.699 ( 0.207 -6.401 7.029) 9.509 4.776 ( 2.603 5.548 1.636) 6.343 4.933 ( 3.392 -9.898 -2.457) 10.748 5.107 ( 0.021 3.034 9.300) 9.783 5.180 ( 1.815 -4.458 7.636) 9.026 5.469 ( 5.250 2.000 2.354) 6.091 5.513 ( 4.738 -1.484 -1.703) 5.249 5.722 ( 0.430 6.129 4.468) 7.597 5.819 ( 4.497 -1.732 -1.028) 4.928 6.008 ( -1.476 12.443 -2.679) 12.813 6.149 ( -4.196 15.155 -4.784) 16.437 6.234 ( 4.495 -4.928 -3.441) 7.505 6.267 ( 0.078 4.271 3.785) 5.707 6.341 ( 3.470 -1.408 -3.885) 5.396 6.383 ( -5.538 -6.125 -3.132) 8.832 6.472 ( 0.087 3.421 -5.049) 6.099 6.589 ( -6.956 8.030 -10.659) 15.050 6.650 ( 8.276 -5.242 -0.682) 9.820 6.736 ( -4.354 -5.204 -1.610) 6.973 6.948 ( -2.392 3.408 -0.270) 4.173 7.021 ( -0.168 -4.792 1.162) 4.934 7.166 ( 0.526 -3.057 -2.491) 3.978 7.177 ( -2.930 -8.259 -7.655) 11.636 7.486 ( -0.264 1.167 1.551) 1.959 7.545 ( -1.048 -1.615 4.361) 4.767 7.632 ( -0.400 -7.164 -0.872) 7.228 7.710 ( -8.647 -13.511 -3.142) 16.346 8.431 ( -3.366 2.995 6.646) 8.029 8.498 ( -0.086 -1.324 2.995) 3.276 8.668 ( -1.693 1.356 0.610) 2.253 8.724 ( 4.193 -4.375 -0.539) 6.084 8.996 ( 3.551 2.593 5.072) 6.712 9.060 ( 1.634 -4.078 7.314) 8.532 9.357 ( 7.966 1.995 -8.624) 11.909 9.427 ( 8.468 -4.970 -8.605) 13.056 9.857 ( 5.821 9.491 1.866) 11.290 9.916 ( -4.755 3.964 0.784) 6.240 10.011 ( -5.130 4.504 5.083) 8.511 10.049 ( 2.512 -0.961 0.808) 2.808 10.370 ( 0.416 8.880 2.206) 9.159 10.479 ( 1.445 -3.808 -2.924) 5.014 10.833 ( -8.500 4.186 3.803) 10.210 10.889 ( 0.410 -0.726 -1.130) 1.404 11.202 ( -12.660 1.669 8.081) 15.112 11.300 ( -11.144 -8.242 6.881) 15.475 11.468 ( 4.049 3.253 -0.330) 5.204 11.522 ( 0.439 -1.238 4.671) 4.852 11.662 ( -0.877 1.893 -3.256) 3.867 11.734 ( -1.556 -4.028 -0.937) 4.419 11.953 ( 2.918 7.601 -3.340) 8.800 12.098 ( -0.222 -6.267 -5.143) 8.110 12.152 ( 5.271 7.395 0.433) 9.091 12.253 ( 1.770 -0.538 -2.448) 3.069 12.353 ( 1.497 0.347 -0.762) 1.716 12.364 ( 3.423 -3.539 -0.908) 5.007 12.516 ( 0.351 -0.271 3.097) 3.128 12.545 ( 3.493 -1.715 4.305) 5.803 12.736 ( 1.406 2.455 -0.489) 2.871 12.793 ( -2.257 -2.485 -2.707) 4.313 13.026 ( 0.726 2.849 -0.942) 3.087 13.077 ( -0.955 -1.496 -0.576) 1.866 13.671 ( 2.610 1.430 -1.394) 3.286 13.788 ( -3.227 -8.508 -5.956) 10.875 14.014 ( -1.389 0.879 3.178) 3.578 14.062 ( 1.003 -4.544 2.144) 5.124 14.608 ( 1.115 4.562 -8.202) 9.452 14.672 ( 1.653 -2.368 -9.985) 10.394 15.752 ( 2.479 2.956 -0.949) 3.973 15.823 ( -1.393 -4.403 -4.860) 6.704 17.612 ( 4.267 3.071 6.082) 8.039 17.682 ( 0.242 -4.071 1.951) 4.520 18.464 ( -1.889 15.626 6.667) 17.094 18.652 ( 1.310 -0.155 -1.696) 2.149 19.049 ( -14.168 3.766 13.181) 19.714 19.247 ( -7.129 -13.190 5.789) 16.072 20.022 ( 10.821 3.112 -11.818) 16.323 20.061 ( 6.245 -1.014 -13.304) 14.732 21.107 ( 2.479 5.158 -0.196) 5.726 21.208 ( -1.389 -4.854 -4.619) 6.843 21.943 ( 1.070 4.184 3.198) 5.374 21.985 ( 1.393 0.635 1.532) 2.166 22.104 ( -3.010 1.345 6.493) 7.282 22.191 ( -0.707 -6.411 2.219) 6.821 22.656 ( -1.314 3.872 0.121) 4.091 22.712 ( 1.827 -1.316 -2.812) 3.603 22.792 ( 5.350 0.371 3.076) 6.182 22.859 ( -2.967 -5.211 -0.545) 6.021 28.322 ( -0.167 0.074 -0.548) 0.577 28.325 ( -0.130 -0.261 -0.695) 0.754 28.566 ( -0.375 0.734 0.348) 0.895 28.578 ( -2.743 -0.598 -0.231) 2.817 29.677 ( -2.114 4.274 13.162) 13.999 29.777 ( 0.250 -6.376 12.585) 14.111 30.495 ( 1.762 5.882 -8.756) 10.695 30.597 ( -0.034 -2.487 -5.502) 6.038 30.623 ( -1.026 -0.240 -0.312) 1.099 30.645 ( -5.144 -4.535 -5.982) 9.100 31.065 ( -0.554 3.516 1.547) 3.881 31.107 ( 3.151 0.328 0.277) 3.180 31.159 ( 3.639 0.020 0.552) 3.681 31.206 ( -5.120 -3.206 -0.775) 6.090 31.702 ( 0.178 1.007 2.521) 2.721 31.731 ( 5.382 -1.725 1.621) 5.880 32.040 ( -1.823 3.947 3.291) 5.453 32.105 ( -0.699 -2.590 1.993) 3.342 32.657 ( -3.722 6.039 5.706) 9.104 32.767 ( -4.964 -5.201 3.605) 8.043 32.921 ( 3.632 1.837 -2.065) 4.564 32.968 ( 0.993 -0.563 -6.952) 7.045 33.013 ( -0.769 4.448 -1.601) 4.790 33.104 ( -2.390 -3.293 -4.964) 6.419 33.767 ( 0.611 0.839 2.531) 2.735 33.806 ( 1.203 -3.131 2.430) 4.142 34.175 ( 3.735 6.286 -3.888) 8.282 34.278 ( 5.102 -4.192 -7.494) 9.988 ======================= Grid point 102 (57/78) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 1.306 15.303 15.856) 22.075 1.821 ( 0.792 1.642 0.652) 1.936 1.946 ( 9.019 -3.494 -1.114) 9.736 2.089 ( 9.121 -13.356 1.586) 16.251 2.231 ( 1.397 7.599 -11.207) 13.612 2.293 ( 9.855 13.173 4.194) 16.978 2.383 ( 2.240 -5.772 2.640) 6.731 2.482 ( -2.744 -6.640 -10.443) 12.675 2.514 ( -3.670 4.824 8.108) 10.123 2.651 ( 3.521 -5.445 2.732) 7.036 2.816 ( 8.250 1.201 1.019) 8.399 2.843 ( 10.670 0.859 1.308) 10.784 2.973 ( 1.150 1.103 6.956) 7.136 3.025 ( 0.027 -4.118 -1.811) 4.499 3.072 ( 4.578 2.823 2.865) 6.094 3.130 ( 0.411 -0.406 2.018) 2.099 3.170 ( -0.408 4.331 2.422) 4.979 3.254 ( 2.530 0.703 0.985) 2.804 3.315 ( 0.854 -5.546 2.488) 6.138 3.348 ( 2.668 -4.972 4.152) 7.005 3.548 ( 0.882 2.276 -1.396) 2.812 3.587 ( -2.924 -0.654 6.516) 7.172 3.692 ( 6.815 4.156 -0.503) 7.998 3.787 ( 10.443 -4.743 1.217) 11.534 3.990 ( 3.032 3.786 -3.651) 6.071 4.073 ( 1.658 -5.811 -3.029) 6.760 4.331 ( -11.533 4.358 -5.969) 13.698 4.436 ( -9.815 -5.641 -1.809) 11.465 4.619 ( 1.486 5.916 1.831) 6.369 4.738 ( -1.227 -5.421 3.532) 6.586 4.964 ( 5.110 3.753 -3.671) 7.326 5.042 ( 5.086 -2.627 0.991) 5.810 5.192 ( -1.319 5.900 10.472) 12.091 5.287 ( 1.222 -4.214 6.781) 8.077 5.397 ( -5.555 6.395 -9.285) 12.569 5.498 ( -3.030 -3.407 -8.010) 9.217 5.758 ( -0.634 5.156 3.867) 6.476 5.784 ( -3.241 0.865 -5.009) 6.029 6.004 ( -8.318 5.768 -3.885) 10.842 6.029 ( 3.266 2.388 -2.596) 4.807 6.103 ( 0.040 3.997 1.805) 4.386 6.260 ( -3.320 -8.186 -0.531) 8.849 6.352 ( -5.263 0.605 -6.012) 8.013 6.392 ( 0.819 4.045 -0.259) 4.136 6.439 ( 5.953 2.573 3.805) 7.519 6.560 ( 3.898 -11.304 -3.395) 12.430 6.603 ( 2.055 9.163 -2.862) 9.817 6.845 ( 7.638 -2.853 -1.998) 8.395 6.972 ( 3.380 0.912 1.796) 3.934 7.043 ( -0.413 -4.979 2.067) 5.407 7.090 ( 10.988 4.503 1.572) 11.979 7.310 ( 11.233 -14.083 -3.232) 18.302 7.472 ( -4.032 0.069 0.493) 4.062 7.541 ( -7.289 -8.867 1.000) 11.522 7.593 ( 2.622 1.920 1.484) 3.573 7.721 ( 4.417 -11.074 5.793) 13.256 8.377 ( -9.297 2.452 4.086) 10.447 8.440 ( -9.997 -2.721 3.330) 10.882 8.633 ( -2.757 2.873 -0.878) 4.078 8.723 ( -2.015 -4.869 -2.037) 5.649 9.087 ( -0.038 1.829 2.561) 3.148 9.107 ( -2.465 -0.371 2.950) 3.862 9.376 ( 7.428 3.473 -14.239) 16.432 9.470 ( 7.360 -5.036 -10.061) 13.445 9.775 ( -7.506 7.011 0.589) 10.288 9.875 ( -9.942 -1.332 2.714) 10.391 9.994 ( 3.728 10.934 1.678) 11.673 10.150 ( 3.571 -3.699 1.550) 5.370 10.305 ( -7.845 7.063 0.747) 10.582 10.399 ( -8.601 -2.818 -2.164) 9.306 10.753 ( -3.076 9.063 3.095) 10.059 10.923 ( 2.272 -5.924 2.224) 6.724 11.027 ( -13.908 6.318 7.816) 17.159 11.201 ( -8.523 -10.665 10.146) 17.010 11.471 ( -7.662 6.384 0.822) 10.007 11.577 ( -2.515 -3.236 2.553) 4.828 11.667 ( 3.712 2.074 0.101) 4.253 11.735 ( 6.636 -2.126 0.284) 6.974 11.894 ( -4.962 2.560 -0.716) 5.629 11.975 ( -5.181 -3.531 -3.133) 7.009 12.124 ( -2.659 7.856 -3.246) 8.906 12.308 ( -0.661 -7.651 -3.624) 8.492 12.328 ( -2.919 0.723 0.944) 3.152 12.367 ( -2.820 -1.631 2.168) 3.913 12.664 ( 8.382 4.748 -3.088) 10.116 12.701 ( 13.086 2.741 1.081) 13.414 12.817 ( 7.969 5.646 1.117) 9.830 12.963 ( 21.360 -8.330 -4.226) 23.313 13.079 ( 5.307 1.662 -1.837) 5.856 13.089 ( 8.285 0.145 -0.869) 8.332 13.740 ( 3.477 -2.524 -3.609) 5.612 13.795 ( 9.459 -9.486 0.513) 13.406 14.090 ( 6.625 1.221 3.300) 7.501 14.136 ( 5.954 -3.920 0.837) 7.177 14.550 ( -0.400 3.320 -4.215) 5.380 14.604 ( 0.808 -2.201 -7.562) 7.917 15.720 ( -5.017 1.912 -3.342) 6.324 15.760 ( -1.338 -2.408 -0.054) 2.756 17.565 ( -10.556 5.618 -1.358) 12.035 17.683 ( -2.914 -6.625 0.400) 7.248 18.425 ( -8.001 11.219 6.204) 15.112 18.575 ( -7.593 -1.816 -0.512) 7.824 19.039 ( -3.735 10.819 16.474) 20.060 19.290 ( -1.498 -13.067 10.310) 16.712 19.880 ( -7.613 5.852 -12.968) 16.136 19.999 ( 2.299 -6.606 -14.201) 15.830 21.254 ( 11.534 3.094 -2.944) 12.299 21.296 ( 15.008 -1.069 -1.026) 15.081 21.945 ( -2.745 3.040 0.609) 4.141 21.969 ( -3.267 1.130 -1.182) 3.653 22.122 ( -2.634 0.017 6.505) 7.019 22.185 ( -2.379 -5.772 2.714) 6.807 22.587 ( -3.407 6.144 -1.255) 7.137 22.715 ( -0.718 -6.911 -2.366) 7.340 22.829 ( 1.788 4.645 -1.150) 5.108 22.920 ( 5.190 -4.592 1.568) 7.105 28.344 ( 3.209 0.041 -0.204) 3.216 28.347 ( 3.340 -0.188 -0.289) 3.358 28.632 ( 7.116 1.158 0.462) 7.225 28.655 ( 8.532 -1.212 1.386) 8.729 29.744 ( -4.412 5.872 10.112) 12.498 29.849 ( -2.908 -4.996 5.287) 7.834 30.430 ( -3.316 0.242 -6.732) 7.509 30.465 ( -0.592 -2.947 -2.887) 4.168 30.615 ( -0.321 -0.897 1.086) 1.444 30.618 ( -0.047 -0.817 0.310) 0.875 30.921 ( -8.828 6.082 0.116) 10.721 31.042 ( -8.097 -6.308 -2.220) 10.501 31.253 ( 5.900 1.524 1.214) 6.213 31.287 ( 5.241 -1.899 1.439) 5.757 31.751 ( 4.920 5.694 -1.206) 7.621 31.847 ( 7.145 -4.079 -1.243) 8.321 32.016 ( -4.224 4.708 2.277) 6.723 32.088 ( -2.855 -2.735 0.322) 3.967 32.653 ( -3.986 3.368 7.514) 9.149 32.695 ( -6.329 -1.577 3.328) 7.322 32.921 ( 1.629 6.002 -4.856) 7.890 33.004 ( 5.687 0.605 -0.171) 5.722 33.023 ( 0.375 -3.351 0.497) 3.408 33.062 ( 1.982 -3.009 -0.887) 3.711 33.727 ( -5.324 2.210 -1.535) 5.966 33.788 ( -4.100 -4.238 -1.082) 5.995 34.166 ( 0.060 6.724 -3.077) 7.395 34.283 ( 4.019 -5.369 -6.643) 9.440 ======================= Grid point 103 (58/78) ======================= q-point: ( 0.25 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -6.695 8.846 6.826) 13.026 1.865 ( 0.746 3.840 4.404) 5.890 2.027 ( 1.624 2.087 -10.293) 10.627 2.055 ( 4.501 -2.786 -6.330) 8.252 2.209 ( 2.919 -6.361 -5.188) 8.712 2.307 ( -1.332 -11.226 -7.543) 13.590 2.428 ( 1.558 5.712 6.199) 8.572 2.554 ( 8.484 8.224 -0.146) 11.816 2.622 ( 2.936 -6.312 10.427) 12.538 2.743 ( 2.693 -2.404 5.218) 6.346 2.859 ( -4.349 4.594 0.496) 6.346 2.913 ( 1.287 -0.977 -0.213) 1.630 3.022 ( 2.634 -1.563 1.264) 3.314 3.069 ( -4.966 -5.573 3.242) 8.138 3.175 ( 9.635 5.831 7.006) 13.263 3.207 ( -1.440 3.993 3.564) 5.543 3.252 ( 6.159 -0.029 4.721) 7.760 3.331 ( 6.472 -6.801 -2.410) 9.692 3.468 ( 8.034 3.086 0.710) 8.636 3.480 ( 6.334 1.961 -0.865) 6.687 3.631 ( 5.516 -2.352 1.344) 6.145 3.646 ( 4.392 -3.483 7.767) 9.578 3.903 ( 3.634 8.751 -8.160) 12.505 4.059 ( 9.333 -4.823 3.839) 11.185 4.120 ( 11.917 -1.789 4.624) 12.907 4.164 ( 6.826 -5.597 -1.605) 8.973 4.266 ( 14.457 1.783 16.299) 21.860 4.312 ( 1.655 -2.666 10.985) 11.425 4.636 ( 0.592 6.457 -5.107) 8.254 4.730 ( 2.035 0.103 -0.968) 2.256 4.818 ( -8.881 5.375 -12.197) 16.016 4.951 ( -10.197 -6.080 -5.722) 13.179 5.161 ( -3.233 7.224 -14.158) 16.220 5.266 ( -5.462 -2.074 -8.958) 10.695 5.285 ( -2.471 0.214 1.647) 2.977 5.332 ( -1.507 -4.980 -4.210) 6.693 5.586 ( -5.919 13.007 -2.733) 14.550 5.776 ( -3.752 2.099 2.040) 4.759 6.013 ( 4.024 4.380 8.041) 10.002 6.098 ( 4.217 4.483 3.356) 7.010 6.191 ( 2.782 1.654 -4.279) 5.366 6.222 ( 5.945 -3.876 5.453) 8.950 6.325 ( -3.101 -8.259 3.512) 9.495 6.370 ( 0.837 -14.467 -1.511) 14.570 6.518 ( 5.796 9.893 0.871) 11.499 6.665 ( 7.158 13.704 2.975) 15.744 6.721 ( 7.367 -10.407 1.654) 12.857 6.929 ( -2.982 -6.888 -4.965) 9.000 6.986 ( 5.922 5.663 -0.777) 8.231 7.096 ( 0.009 -3.498 0.993) 3.636 7.287 ( 5.126 -0.859 -2.548) 5.788 7.331 ( 2.350 -3.298 -3.144) 5.127 7.462 ( -3.133 -1.452 2.468) 4.244 7.563 ( 4.630 -7.936 6.832) 11.450 7.686 ( 5.621 2.745 4.091) 7.474 7.842 ( 2.196 -10.421 6.362) 12.405 8.221 ( -11.127 0.008 2.866) 11.491 8.245 ( -14.624 -2.151 1.597) 14.868 8.508 ( -9.168 3.605 -4.167) 10.696 8.614 ( -8.025 -5.401 -2.834) 10.080 9.011 ( -5.422 3.085 -1.810) 6.495 9.069 ( -2.984 -3.206 -2.359) 4.974 9.346 ( 3.063 6.077 -9.989) 12.087 9.445 ( -1.634 -2.466 -6.533) 7.172 9.700 ( -1.083 2.905 -1.516) 3.451 9.733 ( -6.517 1.096 -0.207) 6.612 9.994 ( -3.694 10.657 -4.407) 12.110 10.111 ( -6.766 -1.235 -4.675) 8.316 10.236 ( 3.565 5.077 2.830) 6.819 10.351 ( 1.562 -7.383 7.345) 10.531 10.768 ( 0.675 8.601 2.969) 9.124 10.894 ( -6.190 3.084 3.102) 7.580 10.998 ( -1.865 -0.755 7.865) 8.118 11.157 ( -9.703 -11.891 9.031) 17.808 11.350 ( -4.347 6.380 -0.029) 7.720 11.466 ( -5.525 -4.981 -0.035) 7.438 11.681 ( -4.198 8.702 -3.049) 10.131 11.851 ( -0.154 3.822 8.556) 9.372 11.858 ( -1.357 -8.781 -5.243) 10.316 11.910 ( -5.964 -1.665 7.213) 9.506 12.040 ( -2.232 9.288 -4.081) 10.388 12.244 ( 2.834 -9.842 -6.608) 12.189 12.303 ( -6.061 -0.637 3.837) 7.202 12.316 ( 2.119 -1.125 2.195) 3.252 12.808 ( 10.556 5.177 -2.354) 11.990 12.858 ( 7.576 1.251 1.735) 7.872 13.029 ( 7.656 5.902 -0.169) 9.668 13.132 ( 6.696 -3.782 -3.338) 8.383 13.285 ( 20.293 5.000 -0.457) 20.905 13.382 ( 23.139 -4.686 -4.234) 23.985 13.789 ( 4.644 2.489 -1.758) 5.554 13.930 ( 4.982 -11.745 -1.473) 12.842 14.274 ( 8.300 0.186 0.227) 8.305 14.298 ( 11.604 -2.534 2.422) 12.122 14.513 ( 0.998 3.001 -1.929) 3.704 14.571 ( 1.769 -2.748 -1.316) 3.524 15.597 ( -5.497 5.563 -1.877) 8.043 15.712 ( -4.076 -6.699 0.196) 7.844 17.310 ( -14.364 12.791 -3.359) 19.525 17.559 ( -9.682 -13.091 -2.331) 16.448 18.365 ( -4.043 6.691 2.399) 8.177 18.448 ( -5.869 -1.485 0.365) 6.065 19.137 ( -8.939 8.163 15.714) 19.836 19.272 ( -11.419 -5.780 5.308) 13.855 19.667 ( -0.324 11.273 -7.081) 13.317 19.937 ( 6.525 -16.549 -8.864) 19.875 21.402 ( 7.561 9.932 -4.662) 13.325 21.539 ( 11.555 -4.499 -2.370) 12.624 21.874 ( -2.719 1.167 -2.840) 4.101 21.899 ( -0.672 -1.554 -1.547) 2.293 22.149 ( -1.264 0.087 5.786) 5.924 22.185 ( -2.018 -3.545 5.345) 6.724 22.543 ( -0.363 6.190 -1.368) 6.349 22.675 ( -0.189 -7.367 -2.489) 7.779 22.847 ( 1.447 7.560 -2.667) 8.147 22.981 ( 1.854 -6.083 -1.624) 6.563 28.425 ( 5.676 0.292 0.493) 5.705 28.431 ( 5.778 -0.251 0.721) 5.828 28.775 ( 7.227 2.663 1.345) 7.819 28.839 ( 8.527 -4.003 3.047) 9.900 29.728 ( -5.320 5.053 4.624) 8.673 29.812 ( -3.080 -4.052 0.435) 5.108 30.306 ( -3.971 7.181 -4.258) 9.245 30.452 ( -2.173 -4.199 1.253) 4.891 30.616 ( -0.882 -0.870 0.847) 1.501 30.647 ( 0.830 -4.776 4.448) 6.579 30.821 ( -3.642 2.548 1.084) 4.575 30.911 ( -4.477 -6.241 0.351) 7.689 31.315 ( 1.329 2.350 -1.485) 3.081 31.351 ( 1.442 -1.478 0.380) 2.100 31.832 ( 4.567 6.961 -2.350) 8.651 31.935 ( 5.662 -3.307 -5.264) 8.408 31.961 ( -3.606 4.435 3.058) 6.483 32.031 ( -1.257 -2.458 -0.953) 2.920 32.640 ( -3.942 1.564 4.091) 5.892 32.684 ( -1.765 -1.500 8.127) 8.451 32.901 ( -1.714 8.299 -0.617) 8.496 32.976 ( -3.868 1.293 -0.330) 4.091 33.112 ( 3.056 -1.815 0.133) 3.557 33.151 ( 6.414 -5.579 3.006) 9.016 33.595 ( -4.286 3.780 -5.697) 8.069 33.688 ( -3.113 -5.561 -2.349) 6.792 34.125 ( -1.390 7.953 -3.069) 8.637 34.277 ( 2.895 -7.673 -6.523) 10.479 ======================= Grid point 104 (59/78) ======================= q-point: ( 0.38 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -10.874 7.623 3.384) 13.704 1.849 ( -8.859 -7.021 3.390) 11.801 1.976 ( 1.382 6.840 -7.439) 10.199 2.040 ( 7.010 3.446 -6.891) 10.417 2.236 ( 5.212 -6.851 -0.118) 8.609 2.299 ( 2.210 -11.419 4.763) 12.568 2.524 ( 0.686 7.445 5.766) 9.442 2.645 ( 4.399 5.602 -2.527) 7.558 2.737 ( 0.854 0.769 5.990) 6.099 2.785 ( -3.986 6.168 4.056) 8.390 2.894 ( -1.435 -7.814 1.753) 8.136 2.941 ( 3.366 -0.908 9.979) 10.571 3.025 ( -3.846 -4.067 2.051) 5.962 3.044 ( -2.424 -1.094 -1.689) 3.151 3.202 ( 1.503 5.377 -0.716) 5.629 3.282 ( -2.287 1.264 -1.428) 2.978 3.432 ( 2.450 2.290 -0.830) 3.455 3.442 ( 5.115 2.017 11.022) 12.317 3.497 ( -3.124 3.634 1.776) 5.111 3.595 ( 6.967 -0.061 -1.681) 7.167 3.699 ( 1.621 -5.262 -5.936) 8.097 3.772 ( 4.836 -10.385 -0.816) 11.485 3.941 ( 10.162 2.434 0.418) 10.458 4.016 ( 1.842 -4.494 -5.293) 7.184 4.240 ( -7.000 2.336 -0.452) 7.393 4.331 ( 0.580 -5.626 4.756) 7.390 4.374 ( 0.939 3.002 -4.794) 5.734 4.440 ( -7.630 -3.503 -9.905) 12.985 4.678 ( 2.082 2.733 6.973) 7.774 4.722 ( 8.407 -0.669 14.379) 16.670 4.896 ( 6.499 -0.118 0.885) 6.561 4.919 ( -0.124 -2.764 -3.130) 4.178 5.042 ( 6.400 7.025 -6.579) 11.559 5.121 ( 5.576 -0.560 -0.471) 5.624 5.231 ( 6.263 4.383 -8.258) 11.253 5.324 ( 8.433 -4.406 -6.675) 11.623 5.678 ( 10.517 14.330 8.239) 19.592 5.868 ( 6.614 1.267 8.669) 10.978 5.992 ( -9.174 6.453 1.719) 11.347 6.113 ( -7.759 -6.561 -2.938) 10.577 6.231 ( 6.545 0.039 2.937) 7.173 6.287 ( -7.196 1.406 3.374) 8.071 6.375 ( 5.542 -4.007 -1.498) 7.001 6.468 ( 10.512 -10.412 -3.676) 15.246 6.625 ( 0.130 7.079 -1.135) 7.170 6.703 ( 8.464 0.411 3.953) 9.351 6.802 ( -2.068 3.018 -2.333) 4.339 6.949 ( 4.231 -5.952 1.464) 7.448 7.012 ( -0.245 4.953 1.474) 5.173 7.079 ( 2.473 -1.504 -0.601) 2.956 7.274 ( -1.585 -2.378 0.966) 3.017 7.349 ( -6.381 -9.786 2.550) 11.957 7.487 ( -1.723 5.213 2.573) 6.063 7.556 ( -6.046 0.404 1.416) 6.223 7.784 ( -3.639 -2.667 3.196) 5.529 7.890 ( -1.270 -11.650 -0.893) 11.753 8.007 ( -10.472 5.265 -4.591) 12.588 8.137 ( -4.206 -6.268 3.715) 8.414 8.314 ( -3.833 3.391 -1.343) 5.291 8.438 ( -4.815 -7.282 -2.031) 8.963 8.935 ( -0.987 2.850 -1.023) 3.185 8.999 ( -1.536 -4.344 -2.469) 5.227 9.248 ( -5.802 3.770 -4.263) 8.127 9.298 ( -7.373 -0.280 -4.629) 8.710 9.634 ( -3.009 6.779 -1.930) 7.664 9.695 ( 2.905 -0.771 -5.523) 6.288 9.911 ( 2.707 7.763 -7.864) 11.377 9.981 ( -1.457 0.728 -4.987) 5.247 10.393 ( 6.665 4.080 6.295) 10.034 10.481 ( 3.784 -4.097 6.546) 8.600 10.821 ( 0.138 6.417 4.833) 8.035 10.881 ( 1.809 3.099 2.546) 4.400 11.022 ( -2.084 -3.536 4.208) 5.878 11.055 ( -8.637 -9.379 4.683) 13.583 11.331 ( -1.775 4.670 4.426) 6.675 11.401 ( -5.752 -1.486 3.799) 7.051 11.590 ( -2.548 6.628 -1.330) 7.224 11.738 ( -7.128 -5.773 -0.009) 9.172 11.852 ( -4.008 0.077 2.945) 4.974 11.882 ( -2.899 -3.489 3.684) 5.844 11.949 ( -5.148 11.387 0.769) 12.520 12.154 ( -6.863 -8.817 2.122) 11.372 12.372 ( 8.813 3.096 -4.387) 10.320 12.435 ( 8.141 -2.226 -2.301) 8.747 12.925 ( 1.375 4.187 3.130) 5.406 12.997 ( 5.199 -1.698 0.762) 5.522 13.084 ( 2.493 4.939 -2.774) 6.189 13.195 ( 6.612 -4.879 -6.521) 10.491 13.653 ( 15.108 2.977 4.830) 16.138 13.696 ( 12.296 -2.119 2.594) 12.744 13.858 ( 7.658 1.926 -3.871) 8.794 13.938 ( 1.962 -5.974 -5.619) 8.432 14.334 ( 1.846 5.418 -3.508) 6.713 14.452 ( 5.732 -6.620 -1.747) 8.930 14.632 ( 8.021 0.951 5.665) 9.866 14.661 ( 5.829 -1.811 4.675) 7.688 15.512 ( -2.567 5.869 -0.344) 6.415 15.636 ( -4.161 -7.230 -0.390) 8.352 17.060 ( -9.216 14.124 -3.444) 17.213 17.335 ( -10.578 -14.180 -5.569) 18.547 18.327 ( -2.687 3.769 0.923) 4.719 18.370 ( -4.334 -0.469 0.050) 4.360 19.009 ( -12.733 3.726 2.845) 13.569 19.073 ( -8.413 -2.820 -4.158) 9.799 19.761 ( 6.253 11.639 8.397) 15.655 20.030 ( 6.841 -16.357 1.642) 17.806 21.386 ( -0.714 11.123 -7.922) 13.675 21.549 ( -1.110 -6.161 -9.520) 11.394 21.909 ( 5.479 -0.075 1.359) 5.645 21.922 ( 3.548 -1.505 0.229) 3.861 22.188 ( -0.947 1.713 4.519) 4.925 22.223 ( -1.903 -2.107 8.283) 8.756 22.528 ( 0.650 6.107 -2.969) 6.822 22.660 ( 1.565 -6.984 -3.090) 7.796 22.822 ( 0.030 6.898 -4.095) 8.022 22.958 ( -0.680 -6.465 -4.431) 7.867 28.534 ( 5.268 0.554 1.392) 5.477 28.542 ( 4.901 -0.209 1.808) 5.228 28.884 ( 2.829 3.029 2.443) 4.811 28.964 ( 1.886 -5.424 2.789) 6.384 29.688 ( -3.074 5.620 3.059) 7.098 29.788 ( -0.436 -4.577 0.776) 4.662 30.208 ( -2.361 9.070 -3.078) 9.865 30.406 ( -2.476 -8.525 -2.067) 9.115 30.624 ( -0.381 3.347 3.937) 5.182 30.709 ( 0.207 -5.364 4.931) 7.289 30.796 ( -1.129 2.691 2.216) 3.665 30.905 ( -0.152 -8.717 4.855) 9.979 31.280 ( -1.253 4.466 -4.986) 6.810 31.355 ( -0.056 -3.474 -2.150) 4.086 31.801 ( -3.427 6.013 -0.433) 6.935 31.901 ( -3.389 -4.240 -0.857) 5.495 32.026 ( 8.455 4.868 -2.233) 10.009 32.085 ( 5.428 -0.747 0.663) 5.519 32.638 ( -1.602 5.169 4.204) 6.853 32.746 ( -1.194 -1.058 7.657) 7.822 32.837 ( -5.464 5.495 0.916) 7.803 32.871 ( -6.134 -0.151 -1.147) 6.243 33.136 ( 0.212 0.139 -2.437) 2.450 33.218 ( -1.366 -8.239 -1.732) 8.529 33.543 ( 4.925 7.680 -1.906) 9.320 33.690 ( 3.045 -7.372 2.582) 8.384 34.053 ( -1.696 10.080 -5.600) 11.655 34.247 ( 1.989 -9.727 -7.943) 12.714 ======================= Grid point 105 (60/78) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.336 5.873 7.135) 9.247 1.786 ( -0.224 -8.205 6.591) 10.527 1.925 ( -1.006 7.433 -7.176) 10.380 2.074 ( 3.410 -5.762 -7.702) 10.205 2.335 ( 0.899 4.603 7.734) 9.045 2.399 ( -3.061 0.102 10.704) 11.134 2.564 ( -2.085 10.618 3.490) 11.370 2.640 ( -4.599 6.383 -3.493) 8.608 2.686 ( -5.451 2.086 -2.539) 6.365 2.772 ( -2.032 -2.877 2.368) 4.244 2.874 ( -3.701 2.832 -4.243) 6.302 2.896 ( -0.951 -0.973 -3.391) 3.653 3.043 ( -0.207 0.038 10.625) 10.628 3.119 ( -0.307 -5.646 3.559) 6.682 3.153 ( -3.287 6.020 1.962) 7.134 3.278 ( 5.988 -5.660 -0.052) 8.240 3.383 ( -0.912 1.398 -3.158) 3.572 3.426 ( -6.413 3.897 5.272) 9.171 3.494 ( -4.082 1.602 2.109) 4.866 3.585 ( -5.619 -17.126 -9.651) 20.445 3.750 ( 5.781 0.062 8.160) 10.000 3.833 ( 3.212 -7.417 -0.118) 8.084 4.003 ( 2.139 10.150 -0.576) 10.389 4.105 ( -1.588 0.194 0.869) 1.821 4.171 ( -5.435 -6.957 2.679) 9.226 4.220 ( 7.744 -9.906 -6.259) 14.046 4.358 ( 3.234 2.162 -8.210) 9.085 4.427 ( 3.808 -6.209 -3.877) 8.251 4.735 ( -6.293 0.433 -1.777) 6.554 4.751 ( -2.756 0.108 3.864) 4.747 4.913 ( -4.276 1.503 -0.317) 4.544 4.964 ( -7.424 -3.915 4.655) 9.598 5.055 ( 1.193 7.832 1.286) 8.026 5.134 ( -0.265 -0.691 -5.424) 5.474 5.415 ( 12.767 5.239 3.045) 14.132 5.504 ( 13.054 -4.711 -2.498) 14.101 5.834 ( -3.870 7.619 1.392) 8.658 5.943 ( 2.384 14.253 4.991) 15.288 5.981 ( 0.913 -4.149 -1.728) 4.587 6.062 ( -0.448 5.169 4.766) 7.045 6.164 ( -7.786 -1.886 1.124) 8.089 6.270 ( -2.773 -7.391 0.730) 7.928 6.419 ( 0.729 2.767 -5.259) 5.987 6.527 ( 6.074 -0.627 -2.279) 6.518 6.752 ( 7.923 1.717 1.962) 8.341 6.813 ( -3.490 3.046 1.827) 4.980 6.902 ( 10.175 0.407 1.911) 10.361 6.979 ( 3.144 -8.568 6.518) 11.216 7.068 ( -1.846 3.788 4.661) 6.284 7.125 ( 3.803 -0.478 2.090) 4.366 7.230 ( -2.232 -0.846 4.085) 4.732 7.293 ( 6.745 -3.895 6.063) 9.870 7.336 ( -14.200 5.862 -4.040) 15.885 7.460 ( -14.696 -6.483 -0.123) 16.063 7.683 ( -1.950 5.483 -8.482) 10.286 7.806 ( 2.404 4.165 -10.355) 11.417 7.864 ( 2.495 -13.101 -3.260) 13.729 7.989 ( -6.042 -13.192 -6.539) 15.915 8.428 ( 5.748 2.591 11.399) 13.027 8.521 ( 5.875 -6.766 8.513) 12.360 8.919 ( 0.177 4.107 -5.769) 7.084 8.980 ( 2.460 -3.772 -2.527) 5.164 9.103 ( -7.473 0.862 -0.934) 7.581 9.138 ( -4.625 -1.156 -2.663) 5.460 9.579 ( -0.466 9.134 -2.479) 9.476 9.686 ( 3.304 -2.633 -5.978) 7.320 9.914 ( 5.206 5.796 -6.669) 10.256 9.933 ( 0.808 3.811 -5.579) 6.804 10.539 ( 2.758 3.357 3.851) 5.806 10.571 ( 0.663 0.509 2.423) 2.563 10.864 ( -1.872 5.539 6.341) 8.625 10.965 ( 1.405 2.103 1.983) 3.214 10.998 ( -0.093 -6.906 4.939) 8.491 11.047 ( 1.745 -5.021 1.383) 5.492 11.331 ( -3.859 1.700 2.879) 5.106 11.344 ( -2.293 -1.055 3.432) 4.261 11.573 ( -1.454 3.011 3.433) 4.792 11.625 ( -7.044 -2.244 1.188) 7.487 11.841 ( -1.155 0.521 4.764) 4.929 11.891 ( 2.055 -1.409 1.188) 2.761 11.927 ( -0.472 6.510 3.898) 7.603 12.097 ( -4.229 -7.008 5.308) 9.756 12.438 ( 6.138 5.489 -8.298) 11.690 12.502 ( 5.030 -0.031 -6.565) 8.271 12.909 ( -7.290 4.270 4.578) 9.610 12.994 ( -6.837 -4.532 3.425) 8.889 13.111 ( 4.215 4.982 -5.146) 8.311 13.215 ( 2.891 -5.445 -7.035) 9.355 13.742 ( -5.193 3.426 4.344) 7.588 13.821 ( -2.035 -4.820 5.186) 7.367 13.970 ( 6.750 1.148 -6.551) 9.476 14.003 ( 9.639 -2.222 -4.897) 11.037 14.340 ( 0.241 5.142 1.775) 5.445 14.486 ( -0.081 -9.640 -2.719) 10.017 14.786 ( 3.316 1.413 3.877) 5.294 14.808 ( 5.369 -0.349 3.059) 6.189 15.514 ( 2.653 3.973 0.741) 4.834 15.576 ( -1.017 -2.580 -1.800) 3.306 16.965 ( 1.712 7.599 -1.045) 7.859 17.117 ( -5.673 -7.649 -8.118) 12.514 18.252 ( -8.325 2.808 3.375) 9.412 18.309 ( -3.191 -3.041 1.389) 4.621 18.877 ( -1.411 5.902 -1.545) 6.261 18.985 ( 4.730 -4.920 -5.736) 8.915 19.946 ( 1.915 9.269 11.214) 14.674 20.152 ( 2.599 -12.239 3.446) 12.978 21.289 ( 0.635 8.326 -7.709) 11.364 21.428 ( 1.138 -6.515 -11.442) 13.216 21.972 ( 0.264 1.402 2.270) 2.681 22.003 ( 1.105 -1.644 2.758) 3.395 22.189 ( -3.784 4.304 3.832) 6.894 22.261 ( -3.147 -3.060 6.068) 7.490 22.506 ( 0.752 7.946 -2.475) 8.356 22.663 ( 2.636 -6.710 -3.712) 8.109 22.785 ( 0.413 3.156 -3.074) 4.424 22.882 ( -1.815 -5.382 -5.619) 7.990 28.611 ( 0.319 0.570 1.659) 1.783 28.614 ( 1.565 0.228 1.498) 2.178 28.934 ( 0.418 0.539 3.109) 3.183 28.973 ( -1.794 -3.522 1.059) 4.092 29.669 ( -5.205 7.994 4.602) 10.591 29.788 ( -1.235 -3.123 1.045) 3.517 30.191 ( 2.986 3.679 -0.937) 4.829 30.345 ( 0.955 -10.453 -5.873) 12.028 30.681 ( 1.190 3.494 4.990) 6.207 30.739 ( -0.341 -3.298 1.432) 3.612 30.840 ( 1.015 4.926 6.852) 8.500 30.983 ( 1.511 -10.089 7.883) 12.893 31.184 ( -1.976 5.654 -7.526) 9.618 31.294 ( -2.263 -5.939 -5.475) 8.389 31.769 ( -1.280 4.349 1.990) 4.951 31.849 ( -1.904 -4.005 -0.593) 4.474 32.130 ( 3.982 4.436 -0.452) 5.978 32.189 ( 5.455 -0.796 -1.115) 5.624 32.621 ( -7.051 12.127 4.463) 14.721 32.708 ( -2.021 7.735 -1.075) 8.066 32.798 ( -4.837 -1.491 8.018) 9.482 32.867 ( 4.621 -10.496 2.248) 11.687 33.066 ( -2.001 1.935 -6.135) 6.737 33.143 ( -0.942 -5.373 -4.837) 7.291 33.668 ( 6.276 6.636 3.018) 9.619 33.798 ( 2.895 -6.737 6.201) 9.603 33.957 ( -1.084 12.152 -8.488) 14.863 34.183 ( 1.212 -11.183 -10.078) 15.103 ======================= Grid point 106 (61/78) ======================= q-point: (-0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -4.363 9.074 3.387) 10.623 1.834 ( -2.985 -0.351 1.291) 3.271 1.930 ( 4.635 -1.708 -1.593) 5.191 2.002 ( -0.342 -4.815 -7.704) 9.091 2.332 ( -14.015 9.350 5.638) 17.766 2.381 ( -9.535 4.819 4.134) 11.455 2.431 ( -1.880 7.612 7.817) 11.072 2.536 ( -6.586 -2.502 -3.075) 7.687 2.675 ( 1.280 7.150 6.784) 9.939 2.793 ( 2.310 -1.497 3.946) 4.811 2.834 ( 0.078 0.843 -4.420) 4.500 2.904 ( 0.680 1.276 3.344) 3.643 2.998 ( -4.435 -1.495 2.825) 5.467 3.091 ( -5.306 -10.374 -2.711) 11.963 3.263 ( -2.790 5.938 0.382) 6.572 3.287 ( 3.756 1.526 2.261) 4.642 3.342 ( -5.874 0.883 0.155) 5.943 3.435 ( -1.336 -11.327 2.446) 11.665 3.473 ( 5.734 0.102 5.509) 7.952 3.539 ( 1.861 -2.793 4.850) 5.898 3.789 ( -7.009 4.098 -0.651) 8.145 3.867 ( -1.488 -4.170 1.434) 4.655 4.045 ( -6.231 0.173 -3.101) 6.962 4.055 ( -1.675 -4.294 2.384) 5.189 4.139 ( -1.287 -3.610 -0.403) 3.853 4.147 ( -4.168 -4.198 -2.496) 6.421 4.353 ( 3.642 3.040 -2.520) 5.372 4.467 ( 5.959 -9.228 -5.300) 12.196 4.516 ( -7.826 2.328 -3.452) 8.865 4.628 ( -14.252 -7.717 2.124) 16.346 4.855 ( -1.023 3.986 8.925) 9.829 4.902 ( 0.179 -0.280 7.884) 7.891 5.136 ( 3.345 5.934 -4.461) 8.143 5.193 ( 3.344 -0.391 -5.549) 6.491 5.426 ( -5.550 2.250 -6.405) 8.768 5.486 ( -6.225 -3.999 -7.753) 10.716 5.809 ( -11.038 14.109 0.333) 17.917 5.876 ( -3.961 6.431 2.994) 8.125 6.003 ( 4.033 -3.799 2.388) 6.033 6.075 ( -6.174 -9.374 -0.859) 11.257 6.162 ( 4.683 7.629 3.646) 9.665 6.277 ( 3.735 -4.839 0.466) 6.130 6.395 ( 2.619 6.303 -3.259) 7.563 6.513 ( -1.389 -0.315 1.054) 1.771 6.723 ( -12.406 -3.521 1.050) 12.939 6.749 ( -9.506 -2.495 -2.010) 10.032 6.930 ( 2.339 9.696 -7.733) 12.621 6.998 ( -7.533 3.542 -1.419) 8.444 7.054 ( -6.386 -1.716 -0.080) 6.613 7.146 ( -5.333 -8.614 -5.604) 11.578 7.229 ( -0.204 6.604 4.485) 7.986 7.360 ( 10.695 6.360 15.884) 20.178 7.438 ( 11.993 -4.848 1.056) 12.979 7.527 ( 12.029 5.714 1.443) 13.395 7.676 ( 8.102 -5.182 2.418) 9.917 7.796 ( 0.746 -13.525 -0.942) 13.578 7.916 ( 12.711 -3.044 -1.022) 13.110 7.988 ( 7.200 -10.176 -1.771) 12.590 8.605 ( 0.187 1.295 5.779) 5.926 8.675 ( 2.480 -5.925 1.691) 6.642 8.801 ( -2.329 4.243 -7.010) 8.519 8.878 ( -2.320 -3.382 -10.570) 11.338 9.100 ( 3.094 0.659 4.708) 5.673 9.147 ( 3.929 -2.911 2.989) 5.732 9.580 ( 2.517 10.071 -1.236) 10.454 9.707 ( 5.181 -3.135 -4.568) 7.585 9.875 ( 0.450 8.334 -6.414) 10.526 9.939 ( 4.971 2.037 -5.370) 7.596 10.530 ( -5.114 3.293 -0.285) 6.089 10.569 ( -2.423 -0.203 1.145) 2.688 10.881 ( -1.641 5.964 4.344) 7.558 11.003 ( -0.492 -7.130 4.166) 8.272 11.052 ( 3.183 4.434 -1.862) 5.767 11.112 ( 1.717 -1.810 4.157) 4.848 11.329 ( -2.080 2.121 -0.827) 3.084 11.369 ( 2.293 -1.807 6.471) 7.099 11.549 ( -0.156 -0.651 1.304) 1.466 11.601 ( -0.297 -4.654 5.496) 7.207 11.897 ( -2.282 2.742 7.909) 8.676 11.966 ( 4.213 3.918 2.069) 6.114 11.984 ( 4.027 -2.392 -0.328) 4.695 12.097 ( 0.113 -5.612 1.923) 5.934 12.439 ( 4.520 7.278 -7.688) 11.511 12.509 ( 4.473 0.725 -6.411) 7.851 12.782 ( -12.760 4.367 4.733) 14.293 12.867 ( -12.795 -4.658 5.194) 14.574 13.110 ( 0.894 1.485 -3.026) 3.487 13.157 ( -1.893 -3.552 -4.628) 6.133 13.636 ( -12.054 7.499 2.786) 14.467 13.794 ( -6.797 -8.620 0.779) 11.005 13.960 ( -1.255 3.804 -4.738) 6.205 14.017 ( 0.591 0.439 -6.152) 6.195 14.295 ( -9.177 -0.628 -0.744) 9.228 14.403 ( -4.853 -9.298 -0.405) 10.496 14.826 ( 0.311 3.024 -2.337) 3.835 14.880 ( 2.545 -2.331 -2.729) 4.400 15.573 ( 3.362 3.427 -2.943) 5.631 15.618 ( 8.059 -0.953 0.919) 8.167 17.006 ( 1.962 4.505 -4.225) 6.480 17.099 ( 10.812 -4.678 2.958) 12.147 18.166 ( -5.196 6.130 5.271) 9.610 18.300 ( -0.460 -7.171 4.536) 8.498 18.935 ( 7.278 9.364 1.247) 11.925 19.105 ( 13.128 -8.129 -2.884) 15.708 20.013 ( -4.231 6.278 5.326) 9.256 20.144 ( -2.994 -7.323 -4.764) 9.235 21.299 ( 6.118 4.679 -2.034) 7.966 21.385 ( 5.395 -4.043 -8.460) 10.817 21.933 ( -6.812 2.576 1.332) 7.404 21.984 ( -5.943 -2.583 0.991) 6.555 22.159 ( -4.430 3.855 5.008) 7.718 22.231 ( -4.199 -3.207 2.393) 5.800 22.529 ( 2.289 9.127 1.486) 9.526 22.666 ( 2.650 -2.981 -5.193) 6.548 22.781 ( -0.571 -2.539 -1.348) 2.931 22.807 ( 0.552 -4.298 -1.956) 4.754 28.576 ( -4.977 1.242 0.147) 5.132 28.597 ( -4.395 -0.833 0.017) 4.473 28.930 ( -2.947 2.285 0.802) 3.814 28.999 ( 1.693 -4.746 2.646) 5.691 29.579 ( -9.444 8.291 4.780) 13.445 29.741 ( -7.287 -7.495 2.395) 10.724 30.263 ( 6.648 2.399 -2.467) 7.486 30.366 ( 7.393 -7.070 -2.912) 10.635 30.730 ( 0.130 1.168 0.624) 1.331 30.760 ( 2.251 -1.935 1.394) 3.279 30.958 ( 2.408 6.520 8.975) 11.351 31.070 ( -0.536 2.864 -5.425) 6.158 31.113 ( 2.243 -7.022 6.274) 9.680 31.189 ( -2.159 -6.975 -6.910) 10.053 31.765 ( -2.740 1.998 2.478) 4.200 31.811 ( -2.262 -2.682 -0.180) 3.513 32.116 ( -2.860 5.656 -3.974) 7.481 32.197 ( -1.276 -2.400 -3.975) 4.816 32.577 ( -3.553 11.758 7.973) 14.644 32.729 ( 1.682 -1.089 2.491) 3.197 32.831 ( 0.122 1.718 5.895) 6.141 32.937 ( 1.238 -4.963 -1.631) 5.369 33.064 ( 7.270 0.881 0.412) 7.335 33.116 ( 3.636 -2.518 -2.844) 5.258 33.745 ( -1.803 7.927 -0.067) 8.130 33.831 ( -2.539 4.866 -5.030) 7.445 33.918 ( 3.631 1.042 2.667) 4.625 34.105 ( 3.674 -11.676 -11.033) 16.479 ======================= Grid point 107 (62/78) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -11.313 16.695 2.853) 20.368 1.670 ( -11.015 13.194 4.737) 17.829 1.903 ( -5.959 -4.542 1.179) 7.585 2.008 ( 6.063 -5.154 -0.495) 7.973 2.079 ( -14.739 1.454 1.287) 14.867 2.245 ( -7.597 -4.040 -0.274) 8.609 2.407 ( -4.623 -6.217 -3.222) 8.391 2.486 ( -5.776 -5.659 7.160) 10.801 2.709 ( -3.837 4.920 2.895) 6.879 2.799 ( -10.548 3.947 9.289) 14.599 2.820 ( -3.715 -1.102 2.649) 4.694 2.882 ( -1.214 1.561 2.433) 3.135 3.001 ( -1.273 -1.588 4.769) 5.185 3.019 ( -1.552 -6.988 -0.930) 7.218 3.243 ( 0.642 4.128 -0.808) 4.255 3.257 ( -0.644 0.587 -1.146) 1.439 3.357 ( -1.661 2.986 0.821) 3.514 3.433 ( -5.591 0.017 2.948) 6.321 3.501 ( -3.962 2.703 -3.018) 5.667 3.574 ( -2.965 -2.104 0.082) 3.637 3.645 ( -4.328 6.705 1.555) 8.131 3.806 ( -1.526 -3.464 -4.226) 5.673 3.889 ( -9.157 2.623 4.544) 10.553 3.994 ( -4.783 3.382 -3.051) 6.605 4.093 ( -2.348 -10.563 6.116) 12.429 4.115 ( -2.183 -5.759 7.634) 9.809 4.403 ( 0.511 1.691 1.006) 2.032 4.486 ( 0.925 -2.453 -0.277) 2.636 4.598 ( 14.206 0.824 -2.699) 14.483 4.674 ( 11.791 -6.758 5.512) 14.666 4.898 ( -3.793 5.543 -4.195) 7.919 4.982 ( -5.460 -2.243 -7.134) 9.260 5.001 ( -2.128 0.567 3.341) 4.001 5.047 ( 1.251 -3.279 3.807) 5.178 5.216 ( -11.564 -0.160 -15.797) 19.578 5.280 ( -11.784 -5.105 -18.275) 22.336 5.656 ( 2.071 11.936 8.345) 14.710 5.836 ( -0.337 -4.984 4.756) 6.897 6.006 ( -4.814 7.753 3.660) 9.832 6.166 ( -6.017 5.127 -1.948) 8.141 6.197 ( 8.114 -2.593 1.041) 8.581 6.250 ( -2.665 -2.359 -2.840) 4.554 6.397 ( -3.415 2.976 -2.382) 5.118 6.545 ( -5.335 1.382 0.043) 5.511 6.582 ( 2.147 -4.484 2.687) 5.651 6.590 ( 3.888 -2.956 0.019) 4.884 6.816 ( -0.631 7.847 -4.678) 9.157 6.938 ( -3.961 0.636 1.488) 4.279 7.018 ( -3.029 -2.549 -0.906) 4.061 7.048 ( -0.700 -1.623 -4.791) 5.106 7.198 ( -3.064 7.800 -0.704) 8.410 7.422 ( -8.920 -11.478 -2.537) 14.757 7.599 ( 1.894 4.446 -0.819) 4.902 7.686 ( 7.546 4.075 3.585) 9.295 7.837 ( -1.347 -9.212 2.423) 9.620 7.948 ( 6.360 -8.542 4.985) 11.759 8.139 ( 11.632 1.142 6.840) 13.543 8.257 ( 17.086 -7.560 6.044) 19.637 8.459 ( -5.663 1.183 -9.771) 11.355 8.556 ( -3.245 -6.702 -8.063) 10.975 8.844 ( 5.325 3.336 1.590) 6.482 8.908 ( 5.973 -3.546 -0.291) 6.952 9.198 ( 3.079 1.206 3.504) 4.818 9.266 ( 4.180 -4.500 4.049) 7.357 9.622 ( 3.810 10.139 -1.201) 10.897 9.735 ( 3.143 -0.146 -2.823) 4.227 9.898 ( 8.026 8.974 -2.899) 12.384 10.010 ( 8.468 -1.054 -2.799) 8.981 10.402 ( -7.504 6.309 -2.043) 10.014 10.516 ( -3.887 -5.190 0.491) 6.503 10.910 ( -0.059 7.116 2.742) 7.627 10.991 ( 1.374 0.759 -4.975) 5.217 11.133 ( -3.968 3.202 7.602) 9.153 11.162 ( 3.477 -0.955 8.327) 9.075 11.322 ( 5.998 1.153 -3.652) 7.116 11.416 ( -3.487 -7.255 5.641) 9.830 11.674 ( 8.527 -0.889 2.302) 8.877 11.693 ( 4.570 -3.208 2.083) 5.959 11.894 ( -2.323 2.462 4.623) 5.729 11.971 ( -2.822 -5.440 0.219) 6.133 12.098 ( 8.775 4.097 -3.006) 10.140 12.170 ( 7.655 -2.610 -2.446) 8.450 12.450 ( 2.138 6.189 -4.319) 7.844 12.521 ( 0.123 -1.278 -4.692) 4.865 12.572 ( -15.421 4.451 4.803) 16.754 12.675 ( -13.912 -6.028 7.242) 16.802 13.074 ( -4.040 0.752 -1.541) 4.389 13.093 ( -1.059 -0.732 -0.583) 1.413 13.348 ( -20.699 6.589 -2.104) 21.824 13.496 ( -22.078 -8.114 -9.710) 25.447 13.847 ( -5.858 6.363 -2.919) 9.128 13.972 ( -0.323 -3.372 -2.132) 4.003 14.134 ( -8.063 3.484 1.840) 8.975 14.285 ( -9.600 -9.212 0.324) 13.309 14.763 ( 0.352 4.620 -9.576) 10.638 14.843 ( 1.054 -3.685 -9.596) 10.333 15.624 ( 5.802 6.775 -3.084) 9.438 15.773 ( 9.126 -8.639 -2.246) 12.766 17.111 ( 9.775 13.073 4.609) 16.962 17.353 ( 10.951 -12.258 7.087) 17.900 18.210 ( 3.461 10.683 6.069) 12.765 18.392 ( 5.814 -7.752 3.772) 10.399 19.106 ( 5.243 11.025 7.860) 14.520 19.326 ( 8.765 -11.824 5.130) 15.586 19.940 ( -1.392 2.908 -6.157) 6.950 19.992 ( -0.932 -2.703 -14.603) 14.880 21.352 ( -1.401 5.303 -3.501) 6.507 21.432 ( 3.235 -2.304 0.954) 4.085 21.834 ( -4.699 0.166 0.729) 4.758 21.861 ( -4.247 -2.161 0.426) 4.784 22.130 ( -5.179 2.795 5.463) 8.030 22.190 ( -3.188 -3.132 2.221) 4.991 22.591 ( 2.139 6.027 2.250) 6.780 22.654 ( 1.777 -1.596 -4.421) 5.025 22.748 ( 0.242 2.140 -0.459) 2.202 22.854 ( 1.895 -7.279 2.246) 7.850 28.468 ( -6.347 0.936 -0.866) 6.474 28.487 ( -6.691 -1.027 -1.153) 6.867 28.837 ( -8.307 6.202 -1.053) 10.420 28.990 ( -5.779 -9.853 -2.494) 11.692 29.510 ( -5.378 4.002 9.707) 11.797 29.616 ( -9.763 -7.563 7.512) 14.455 30.377 ( 9.968 6.546 -4.042) 12.591 30.498 ( 7.941 -5.466 -0.157) 9.642 30.727 ( 0.454 4.349 -2.491) 5.032 30.817 ( 4.009 -5.135 -0.955) 6.584 30.964 ( -0.731 4.100 -5.630) 7.003 31.073 ( -2.196 -7.250 -6.288) 9.844 31.127 ( 3.170 4.052 5.830) 7.776 31.225 ( 1.572 -6.278 6.544) 9.203 31.710 ( -6.408 3.549 2.355) 7.694 31.764 ( -3.844 -2.130 1.656) 4.696 32.028 ( -1.668 5.373 -2.209) 6.044 32.119 ( -2.289 -3.435 -2.698) 4.931 32.623 ( -1.774 8.939 7.763) 11.972 32.758 ( -0.007 -5.174 1.700) 5.446 32.891 ( 0.584 1.733 2.453) 3.060 32.955 ( 1.980 -3.565 -0.631) 4.127 33.166 ( 6.297 4.898 -3.302) 8.634 33.258 ( 7.212 -4.732 1.699) 8.792 33.631 ( -1.329 11.449 -8.388) 14.255 33.724 ( -4.780 0.509 -1.548) 5.050 34.018 ( 3.564 2.202 3.418) 5.406 34.130 ( 9.337 -8.336 -7.130) 14.405 ======================= Grid point 108 (63/78) ======================= q-point: (-0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -14.730 24.460 11.922) 30.942 1.526 ( -13.937 17.702 11.995) 25.524 1.792 ( -7.506 -12.240 5.556) 15.395 1.919 ( -6.768 -21.634 2.989) 22.864 2.109 ( -4.652 3.971 4.024) 7.322 2.173 ( 0.110 -3.702 -2.882) 4.693 2.385 ( 5.181 1.369 0.397) 5.374 2.493 ( 1.932 -6.140 4.943) 8.115 2.633 ( -6.853 3.334 4.329) 8.764 2.678 ( -8.528 -0.983 6.236) 10.610 2.793 ( -4.549 2.977 0.866) 5.505 2.831 ( -8.994 0.901 2.923) 9.500 2.968 ( -0.513 2.909 1.369) 3.256 3.033 ( -1.570 0.498 4.427) 4.724 3.154 ( -7.925 -2.325 0.589) 8.280 3.162 ( -6.079 -1.021 -2.050) 6.496 3.301 ( -1.778 2.841 -5.750) 6.656 3.369 ( -1.656 -2.277 -1.366) 3.130 3.492 ( 5.343 2.246 -3.523) 6.783 3.580 ( -3.979 0.288 0.334) 4.003 3.608 ( 1.819 3.847 -1.485) 4.507 3.676 ( -6.705 1.577 -2.520) 7.335 3.810 ( -4.385 5.821 4.098) 8.361 3.838 ( -11.676 2.751 -7.582) 14.192 4.067 ( -3.104 2.111 -3.775) 5.324 4.171 ( -2.578 -9.288 -4.392) 10.593 4.436 ( -0.251 1.073 2.009) 2.291 4.523 ( -0.734 4.307 6.699) 7.998 4.546 ( -2.236 -4.707 -6.524) 8.350 4.731 ( -12.072 -10.120 -8.157) 17.740 4.830 ( 6.567 0.446 -8.305) 10.597 4.856 ( 6.141 -0.355 -0.180) 6.154 5.000 ( 3.960 -1.048 7.900) 8.899 5.088 ( 2.469 -10.693 3.724) 11.589 5.247 ( 12.560 0.687 6.175) 14.013 5.281 ( 12.690 -2.225 4.514) 13.652 5.796 ( -10.638 8.017 5.059) 14.249 5.872 ( 5.384 12.290 0.097) 13.418 5.931 ( -4.160 -4.139 1.597) 6.082 6.038 ( 6.125 2.824 0.227) 6.749 6.214 ( 1.315 -1.784 0.301) 2.236 6.305 ( -2.787 14.290 -5.120) 15.433 6.317 ( 4.005 -6.426 -2.797) 8.072 6.478 ( -0.685 7.188 0.554) 7.242 6.574 ( -4.128 1.750 -7.332) 8.594 6.676 ( -0.974 -15.631 -4.278) 16.235 6.818 ( -1.129 2.011 -3.403) 4.111 6.864 ( -4.077 -1.127 -4.394) 6.099 6.912 ( 0.536 3.810 -0.496) 3.880 7.021 ( -1.785 -6.165 1.688) 6.636 7.145 ( -3.728 7.309 0.901) 8.254 7.273 ( -2.641 -3.238 0.802) 4.255 7.570 ( -3.096 -2.341 -0.553) 3.921 7.659 ( -9.944 -12.323 -7.308) 17.439 7.715 ( -4.945 4.705 -5.514) 8.775 7.892 ( -8.051 -12.893 -3.624) 15.627 8.368 ( 3.348 2.695 5.142) 6.701 8.417 ( 5.100 4.426 2.183) 7.097 8.555 ( 11.209 -6.314 5.127) 13.849 8.614 ( 5.745 -5.943 5.739) 10.063 8.916 ( 2.058 2.983 1.310) 3.853 8.978 ( 1.830 -3.852 1.614) 4.560 9.287 ( 6.286 1.384 -2.059) 6.758 9.357 ( 5.089 -5.057 -1.137) 7.264 9.715 ( 7.053 9.716 1.332) 12.079 9.823 ( 6.983 0.436 2.690) 7.496 10.003 ( 2.845 8.192 1.143) 8.747 10.104 ( -0.219 -1.731 -0.964) 1.994 10.300 ( 1.546 11.557 -1.061) 11.709 10.479 ( 0.485 -8.271 -1.428) 8.407 10.897 ( -3.505 5.536 2.260) 6.931 10.943 ( -2.131 2.351 -3.750) 4.912 11.212 ( -0.745 1.044 11.966) 12.035 11.294 ( -0.834 -5.844 11.080) 12.554 11.416 ( 7.969 1.795 -6.040) 10.159 11.456 ( 3.293 -2.642 3.716) 5.624 11.712 ( -0.540 1.453 -1.823) 2.394 11.755 ( 2.969 -2.985 -6.124) 7.432 11.948 ( 1.752 1.536 1.531) 2.788 12.014 ( 5.595 -4.922 0.792) 7.494 12.175 ( 1.669 3.552 -4.646) 6.082 12.228 ( 0.633 -1.744 -1.178) 2.198 12.298 ( -8.907 3.500 1.428) 9.676 12.375 ( -2.940 -3.264 0.946) 4.494 12.516 ( -0.870 5.229 1.913) 5.635 12.615 ( -5.203 -4.808 2.447) 7.495 12.867 ( -16.464 7.092 -1.729) 18.009 13.006 ( -17.243 -6.563 -5.396) 19.222 13.074 ( -4.173 1.403 -2.452) 5.039 13.091 ( -2.146 -0.340 -0.730) 2.292 13.725 ( -4.713 8.429 -2.668) 10.019 13.929 ( -4.331 -11.526 -3.127) 12.704 14.035 ( -5.180 2.634 3.809) 6.948 14.108 ( -9.280 -4.779 0.937) 10.480 14.676 ( 2.454 5.282 -11.690) 13.061 14.753 ( 1.477 -2.909 -11.427) 11.883 15.698 ( 5.449 6.611 -2.317) 8.875 15.853 ( 4.296 -9.649 -5.219) 11.781 17.384 ( 11.569 10.951 8.803) 18.200 17.579 ( 6.131 -9.862 7.047) 13.583 18.362 ( 6.038 13.198 4.576) 15.218 18.552 ( 8.757 -5.470 1.137) 10.387 19.174 ( -10.743 8.376 11.428) 17.781 19.383 ( -11.940 -12.310 9.400) 19.556 19.916 ( 12.857 3.023 -15.799) 20.592 19.966 ( 16.248 -2.208 -14.282) 21.745 21.206 ( -9.751 8.407 -1.545) 12.967 21.364 ( -8.952 -7.352 -2.609) 11.874 21.852 ( 4.142 3.599 3.528) 6.523 21.905 ( 4.287 -1.629 2.418) 5.184 22.102 ( -4.209 2.227 5.811) 7.512 22.175 ( -0.905 -4.958 2.288) 5.535 22.645 ( 1.243 0.451 -1.461) 1.970 22.656 ( 3.191 -0.285 2.360) 3.979 22.761 ( 0.419 4.970 -0.727) 5.040 22.888 ( -0.513 -6.844 1.490) 7.023 28.364 ( -3.970 0.348 -0.959) 4.099 28.373 ( -4.447 -0.517 -1.184) 4.631 28.659 ( -9.188 3.860 -0.763) 9.995 28.754 ( -13.688 -6.395 -3.624) 15.537 29.576 ( -1.899 1.700 12.620) 12.874 29.634 ( -1.322 -4.815 14.074) 14.933 30.492 ( 7.851 8.052 -5.760) 12.635 30.593 ( 3.327 -2.703 -1.192) 4.449 30.678 ( -1.578 4.469 -4.968) 6.866 30.821 ( -1.618 -9.537 -9.255) 13.387 30.965 ( 6.266 0.347 -0.924) 6.343 30.998 ( 2.161 -2.608 -0.969) 3.522 31.213 ( -0.628 3.202 2.879) 4.352 31.266 ( -3.003 -2.372 2.645) 4.651 31.651 ( -1.478 3.722 3.386) 5.245 31.716 ( -4.111 -3.064 3.094) 5.988 32.022 ( -0.006 3.766 2.273) 4.399 32.091 ( -0.076 -2.904 0.729) 2.995 32.654 ( -2.377 6.990 5.534) 9.227 32.778 ( -0.142 -5.837 1.830) 6.118 32.908 ( -0.213 2.095 0.759) 2.238 32.972 ( 1.162 -3.431 -1.122) 3.792 33.139 ( -2.327 6.516 -9.638) 11.865 33.225 ( -4.403 -2.252 -6.270) 7.986 33.679 ( 7.254 2.288 0.436) 7.619 33.715 ( 3.315 -1.151 3.311) 4.824 34.111 ( 5.340 6.266 -0.198) 8.235 34.231 ( 8.692 -5.788 -6.216) 12.153 ======================= Grid point 125 (64/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -9.319 0.000 -11.908) 15.121 1.725 ( 9.319 0.000 11.908) 15.121 1.883 ( 2.319 0.000 -16.334) 16.498 1.883 ( -2.319 0.000 16.334) 16.498 2.083 ( -3.846 0.000 -2.012) 4.341 2.083 ( 3.846 0.000 2.012) 4.341 2.475 ( -8.661 0.000 1.707) 8.828 2.475 ( 8.661 0.000 -1.707) 8.828 2.624 ( 3.509 0.000 -6.424) 7.320 2.624 ( -3.509 0.000 6.424) 7.320 2.779 ( -2.324 0.000 -3.270) 4.011 2.779 ( 2.324 0.000 3.270) 4.011 2.936 ( -8.419 0.000 -6.367) 10.556 2.936 ( 8.419 0.000 6.367) 10.556 3.018 ( -8.814 0.000 0.230) 8.817 3.018 ( 8.814 0.000 -0.230) 8.817 3.242 ( -2.090 0.000 -5.793) 6.159 3.242 ( 2.090 0.000 5.793) 6.159 3.400 ( -3.634 0.000 0.655) 3.693 3.400 ( 3.634 0.000 -0.655) 3.693 3.559 ( 2.908 0.000 -19.914) 20.125 3.559 ( -2.908 0.000 19.914) 20.125 3.696 ( 4.421 0.000 -8.964) 9.995 3.696 ( -4.421 0.000 8.964) 9.995 4.080 ( 10.337 0.000 -18.170) 20.905 4.080 ( -10.337 0.000 18.170) 20.905 4.512 ( -9.533 0.000 -7.349) 12.037 4.512 ( 9.533 0.000 7.349) 12.037 4.738 ( 9.232 0.000 -6.516) 11.300 4.738 ( -9.232 0.000 6.516) 11.300 4.855 ( -11.898 0.000 -1.042) 11.943 4.855 ( 11.898 0.000 1.042) 11.943 5.172 ( 5.302 0.000 -6.350) 8.273 5.172 ( -5.302 0.000 6.350) 8.273 5.554 ( -0.176 0.000 -0.061) 0.186 5.554 ( 0.176 0.000 0.061) 0.186 5.735 ( 0.690 0.000 -12.976) 12.994 5.735 ( -0.690 0.000 12.976) 12.994 5.850 ( -14.398 0.000 4.061) 14.960 5.850 ( 14.398 0.000 -4.061) 14.960 6.161 ( 10.611 0.000 -5.881) 12.132 6.161 ( -10.611 0.000 5.881) 12.132 6.247 ( -20.056 0.000 -5.366) 20.761 6.247 ( 20.056 0.000 5.366) 20.761 6.537 ( -15.392 0.000 -4.716) 16.099 6.537 ( 15.392 0.000 4.716) 16.099 6.632 ( -5.868 0.000 -12.518) 13.825 6.632 ( 5.868 0.000 12.518) 13.825 6.883 ( -7.401 0.000 -3.616) 8.237 6.883 ( 7.401 0.000 3.616) 8.237 7.331 ( 0.143 0.000 -2.180) 2.185 7.331 ( -0.143 0.000 2.180) 2.185 7.705 ( -2.889 0.000 -7.362) 7.909 7.705 ( 2.889 0.000 7.362) 7.909 8.227 ( -6.170 0.000 -0.381) 6.182 8.227 ( 6.170 0.000 0.381) 6.182 8.554 ( 2.226 0.000 -4.517) 5.036 8.554 ( -2.226 0.000 4.517) 5.036 8.692 ( -0.709 0.000 -2.207) 2.318 8.692 ( 0.709 0.000 2.207) 2.318 9.116 ( -0.286 0.000 -4.252) 4.262 9.116 ( 0.286 0.000 4.252) 4.262 9.171 ( -0.189 0.000 -5.993) 5.996 9.171 ( 0.189 0.000 5.993) 5.996 9.670 ( -5.668 0.000 -5.534) 7.922 9.670 ( 5.668 0.000 5.534) 7.922 9.931 ( -2.626 0.000 0.752) 2.731 9.931 ( 2.626 0.000 -0.752) 2.731 10.461 ( -17.785 0.000 -1.800) 17.876 10.461 ( 17.785 0.000 1.800) 17.876 10.714 ( -10.062 0.000 3.321) 10.596 10.714 ( 10.062 0.000 -3.321) 10.596 11.350 ( -21.577 0.000 3.522) 21.863 11.350 ( 21.577 0.000 -3.522) 21.863 11.538 ( 4.046 0.000 -3.826) 5.569 11.538 ( -4.046 0.000 3.826) 5.569 11.673 ( -14.351 0.000 3.896) 14.871 11.673 ( 14.351 0.000 -3.896) 14.871 11.919 ( 0.878 0.000 -0.297) 0.927 11.919 ( -0.878 0.000 0.297) 0.927 12.215 ( -11.089 0.000 -2.248) 11.314 12.215 ( 11.089 0.000 2.248) 11.314 12.380 ( -4.052 0.000 -7.279) 8.331 12.380 ( 4.052 0.000 7.279) 8.331 12.571 ( -8.012 0.000 1.428) 8.138 12.571 ( 8.012 0.000 -1.428) 8.138 12.765 ( -6.512 0.000 -0.643) 6.543 12.765 ( 6.512 0.000 0.643) 6.543 12.973 ( -2.611 0.000 -1.643) 3.085 12.973 ( 2.611 0.000 1.643) 3.085 13.932 ( -10.471 0.000 0.357) 10.477 13.932 ( 10.471 0.000 -0.357) 10.477 14.190 ( 1.490 0.000 -6.842) 7.002 14.190 ( -1.490 0.000 6.842) 7.002 14.494 ( -0.059 0.000 -9.889) 9.889 14.494 ( 0.059 0.000 9.889) 9.889 15.798 ( -8.928 0.000 -5.846) 10.672 15.798 ( 8.928 0.000 5.846) 10.672 17.684 ( -15.486 0.000 -6.413) 16.762 17.684 ( 15.486 0.000 6.413) 16.762 18.194 ( -5.127 0.000 -9.893) 11.143 18.194 ( 5.127 0.000 9.893) 11.143 19.563 ( 21.445 0.000 -20.487) 29.658 19.563 ( -21.445 0.000 20.487) 29.658 19.774 ( 1.304 0.000 -11.949) 12.019 19.774 ( -1.304 0.000 11.949) 12.019 21.134 ( -5.682 0.000 -7.182) 9.158 21.134 ( 5.682 0.000 7.182) 9.158 21.892 ( 0.542 0.000 -3.213) 3.258 21.892 ( -0.542 0.000 3.213) 3.258 22.298 ( 2.134 0.000 -5.459) 5.861 22.298 ( -2.134 0.000 5.459) 5.861 22.607 ( 5.369 0.000 -3.866) 6.616 22.607 ( -5.369 0.000 3.866) 6.616 22.944 ( -4.387 0.000 -0.635) 4.432 22.944 ( 4.387 0.000 0.635) 4.432 28.322 ( -0.021 0.000 -0.269) 0.270 28.322 ( 0.021 0.000 0.269) 0.270 28.571 ( -3.483 0.000 -1.153) 3.669 28.571 ( 3.483 0.000 1.153) 3.669 29.819 ( 5.106 0.000 -10.742) 11.894 29.819 ( -5.106 0.000 10.742) 11.894 30.537 ( 0.091 0.000 -6.597) 6.598 30.537 ( -0.091 0.000 6.597) 6.598 30.691 ( -7.222 0.000 -4.295) 8.403 30.691 ( 7.222 0.000 4.295) 8.403 30.982 ( -13.383 0.000 3.685) 13.881 30.982 ( 13.383 0.000 -3.685) 13.881 31.232 ( 0.222 0.000 -0.762) 0.794 31.232 ( -0.222 0.000 0.762) 0.794 31.762 ( -8.279 0.000 1.628) 8.438 31.762 ( 8.279 0.000 -1.628) 8.438 32.044 ( 5.056 0.000 -6.286) 8.067 32.044 ( -5.056 0.000 6.286) 8.067 32.609 ( -0.022 0.000 -1.706) 1.706 32.609 ( 0.022 0.000 1.706) 1.706 32.933 ( 7.498 0.000 -3.628) 8.329 32.933 ( -7.498 0.000 3.628) 8.329 33.074 ( -1.105 0.000 -3.076) 3.268 33.074 ( 1.105 0.000 3.076) 3.268 33.871 ( 5.267 0.000 -4.986) 7.253 33.871 ( -5.267 0.000 4.986) 7.253 34.129 ( 6.016 0.000 -9.840) 11.533 34.129 ( -6.016 0.000 9.840) 11.533 ======================= Grid point 127 (65/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 14.899 0.000 -24.232) 28.445 1.702 ( 7.750 0.000 -22.086) 23.406 1.988 ( -9.343 0.000 13.959) 16.797 1.991 ( 3.322 0.000 -0.703) 3.396 2.096 ( 5.967 0.000 -7.763) 9.791 2.202 ( 13.532 0.000 6.532) 15.026 2.539 ( -10.745 0.000 -1.013) 10.793 2.571 ( 12.149 0.000 11.970) 17.055 2.675 ( 1.183 0.000 7.766) 7.856 2.745 ( 9.882 0.000 3.582) 10.512 2.762 ( 13.547 0.000 -13.919) 19.423 2.817 ( 2.819 0.000 -2.296) 3.636 2.841 ( 2.500 0.000 0.299) 2.518 3.039 ( 8.522 0.000 6.631) 10.797 3.052 ( 4.095 0.000 -1.823) 4.483 3.126 ( -0.492 0.000 -7.097) 7.114 3.135 ( 3.209 0.000 -2.161) 3.869 3.343 ( -1.744 0.000 -1.024) 2.022 3.346 ( 3.818 0.000 1.973) 4.298 3.519 ( 5.691 0.000 7.137) 9.128 3.569 ( 11.648 0.000 2.130) 11.841 3.572 ( -11.426 0.000 12.110) 16.649 3.772 ( 16.772 0.000 -13.340) 21.431 3.841 ( 1.826 0.000 5.938) 6.213 4.097 ( 10.733 0.000 -13.933) 17.588 4.147 ( -2.364 0.000 17.208) 17.370 4.300 ( -4.192 0.000 3.092) 5.209 4.556 ( -10.585 0.000 -3.418) 11.123 4.653 ( -2.792 0.000 3.683) 4.621 4.657 ( -14.266 0.000 13.265) 19.480 4.875 ( 2.040 0.000 6.644) 6.951 4.993 ( 6.609 0.000 1.215) 6.720 5.110 ( -7.209 0.000 -5.550) 9.098 5.246 ( 2.571 0.000 6.875) 7.340 5.508 ( -3.589 0.000 -8.701) 9.412 5.528 ( -16.582 0.000 -6.381) 17.767 5.586 ( -15.354 0.000 -14.886) 21.385 5.644 ( -0.772 0.000 -8.891) 8.924 5.677 ( 13.086 0.000 0.840) 13.113 5.914 ( -3.813 0.000 10.912) 11.559 6.092 ( 0.241 0.000 17.265) 17.267 6.152 ( 7.725 0.000 1.616) 7.892 6.297 ( -6.038 0.000 -3.673) 7.067 6.374 ( -3.445 0.000 -10.053) 10.627 6.424 ( 14.868 0.000 -2.567) 15.088 6.588 ( 7.531 0.000 7.520) 10.643 6.805 ( 6.434 0.000 1.416) 6.588 6.856 ( 11.056 0.000 4.345) 11.879 6.940 ( 10.024 0.000 1.706) 10.168 7.158 ( 6.343 0.000 3.298) 7.149 7.281 ( 1.337 0.000 -4.830) 5.012 7.284 ( -2.667 0.000 -0.182) 2.673 7.536 ( -2.608 0.000 -2.140) 3.374 7.743 ( -2.213 0.000 1.294) 2.564 8.123 ( -7.217 0.000 1.863) 7.453 8.333 ( 0.189 0.000 4.503) 4.507 8.489 ( -4.293 0.000 -2.884) 5.171 8.508 ( -6.782 0.000 5.792) 8.918 8.602 ( -5.688 0.000 -6.081) 8.326 8.690 ( -3.223 0.000 0.563) 3.272 9.021 ( -3.105 0.000 -7.591) 8.201 9.121 ( -4.386 0.000 5.103) 6.729 9.155 ( 6.387 0.000 -7.413) 9.785 9.246 ( 1.499 0.000 4.167) 4.428 9.567 ( -0.883 0.000 -4.858) 4.938 9.757 ( -10.388 0.000 -0.367) 10.394 9.861 ( -6.191 0.000 -4.652) 7.744 9.909 ( 9.086 0.000 4.494) 10.137 10.134 ( -14.438 0.000 -6.232) 15.726 10.565 ( -7.551 0.000 2.814) 8.059 10.777 ( 11.972 0.000 2.227) 12.177 10.847 ( 6.299 0.000 -2.651) 6.834 11.076 ( -16.141 0.000 12.101) 20.173 11.390 ( -16.710 0.000 1.196) 16.752 11.529 ( -2.128 0.000 3.252) 3.886 11.561 ( 1.491 0.000 -7.346) 7.496 11.700 ( 13.081 0.000 5.497) 14.189 11.716 ( -7.671 0.000 1.271) 7.776 11.955 ( -2.326 0.000 5.700) 6.156 12.004 ( 5.460 0.000 6.297) 8.334 12.073 ( 0.263 0.000 -2.196) 2.212 12.315 ( -4.148 0.000 1.378) 4.371 12.319 ( 4.198 0.000 -4.544) 6.187 12.434 ( 4.951 0.000 -4.649) 6.792 12.502 ( -4.501 0.000 -10.171) 11.123 12.653 ( 15.239 0.000 4.871) 15.999 12.691 ( 0.091 0.000 2.596) 2.597 12.948 ( 12.438 0.000 -0.449) 12.447 13.046 ( 12.423 0.000 -2.203) 12.617 13.071 ( 5.111 0.000 -0.484) 5.134 13.847 ( -1.645 0.000 2.375) 2.889 14.176 ( 4.920 0.000 -7.600) 9.054 14.178 ( 15.851 0.000 -0.152) 15.852 14.229 ( -1.041 0.000 5.342) 5.442 14.378 ( -0.354 0.000 -9.512) 9.518 14.590 ( 0.666 0.000 8.798) 8.823 15.590 ( -9.283 0.000 -2.330) 9.571 15.974 ( 2.884 0.000 6.890) 7.469 17.259 ( -20.852 0.000 -10.660) 23.419 17.868 ( 1.767 0.000 0.654) 1.884 18.078 ( 1.442 0.000 -7.420) 7.559 18.397 ( 4.033 0.000 7.627) 8.628 19.422 ( -14.388 0.000 21.873) 26.181 19.439 ( -6.965 0.000 -17.648) 18.972 19.773 ( -15.470 0.000 12.064) 19.617 19.888 ( 21.066 0.000 -12.631) 24.563 21.077 ( 3.416 0.000 -2.778) 4.403 21.381 ( 13.056 0.000 5.661) 14.231 21.837 ( -1.936 0.000 -5.020) 5.380 21.903 ( 0.141 0.000 1.127) 1.136 22.281 ( 3.486 0.000 -6.821) 7.661 22.293 ( -3.527 0.000 1.597) 3.871 22.537 ( -7.704 0.000 7.654) 10.860 22.599 ( -1.230 0.000 -4.036) 4.219 22.889 ( -1.504 0.000 -1.004) 1.809 23.029 ( 4.062 0.000 -0.173) 4.066 28.348 ( 3.172 0.000 0.323) 3.188 28.358 ( 3.756 0.000 1.018) 3.892 28.601 ( 6.162 0.000 -0.536) 6.185 28.782 ( 15.551 0.000 6.734) 16.947 29.779 ( 3.295 0.000 -10.860) 11.349 29.809 ( -7.995 0.000 9.695) 12.566 30.362 ( -6.835 0.000 -8.546) 10.943 30.516 ( -6.466 0.000 4.068) 7.640 30.641 ( 0.198 0.000 0.358) 0.409 30.809 ( -4.987 0.000 3.651) 6.181 30.974 ( 8.973 0.000 10.640) 13.919 31.147 ( 1.516 0.000 -3.811) 4.102 31.202 ( -3.052 0.000 -0.897) 3.181 31.245 ( 10.173 0.000 -1.229) 10.247 31.616 ( -8.627 0.000 -0.677) 8.654 31.844 ( 3.234 0.000 -3.616) 4.852 32.014 ( -5.014 0.000 6.907) 8.535 32.049 ( 2.233 0.000 -5.013) 5.488 32.601 ( 0.379 0.000 -0.158) 0.411 32.604 ( -1.943 0.000 -1.315) 2.346 32.859 ( -6.361 0.000 5.975) 8.727 33.027 ( 7.055 0.000 -3.186) 7.741 33.046 ( 2.221 0.000 -3.282) 3.963 33.127 ( 1.835 0.000 1.581) 2.422 33.716 ( -12.299 0.000 -0.750) 12.321 33.797 ( -4.931 0.000 -5.311) 7.247 34.160 ( -4.220 0.000 9.605) 10.491 34.187 ( 10.108 0.000 -9.815) 14.089 ======================= Grid point 128 (66/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 10.018 0.000 -19.341) 21.782 1.685 ( 12.581 0.000 -16.902) 21.070 1.841 ( -7.340 0.000 -2.726) 7.830 2.063 ( 5.980 0.000 -1.130) 6.086 2.307 ( -2.625 0.000 -0.709) 2.719 2.313 ( 17.722 0.000 -1.394) 17.777 2.431 ( -5.250 0.000 6.435) 8.305 2.681 ( -9.763 0.000 -3.998) 10.550 2.724 ( -0.796 0.000 -1.982) 2.136 2.733 ( -13.051 0.000 -10.354) 16.659 2.868 ( 4.197 0.000 4.392) 6.075 2.945 ( 12.263 0.000 2.521) 12.519 2.997 ( 6.081 0.000 16.557) 17.638 3.141 ( 8.216 0.000 3.295) 8.852 3.219 ( 7.434 0.000 -6.385) 9.800 3.249 ( 13.932 0.000 8.227) 16.180 3.249 ( 10.700 0.000 -3.561) 11.277 3.310 ( 8.282 0.000 -5.248) 9.805 3.413 ( 0.192 0.000 -1.436) 1.449 3.458 ( -0.984 0.000 1.214) 1.563 3.667 ( 2.152 0.000 6.133) 6.499 3.807 ( 17.068 0.000 -16.485) 23.728 3.967 ( -1.660 0.000 21.361) 21.425 4.058 ( 20.866 0.000 -4.027) 21.251 4.245 ( 4.090 0.000 0.844) 4.176 4.284 ( 15.010 0.000 1.434) 15.078 4.427 ( 3.754 0.000 5.438) 6.608 4.453 ( 0.647 0.000 5.284) 5.323 4.487 ( -11.055 0.000 -5.670) 12.424 4.502 ( -8.954 0.000 10.008) 13.429 4.903 ( -9.047 0.000 6.202) 10.968 4.936 ( -4.509 0.000 -5.546) 7.147 5.111 ( -16.805 0.000 -4.152) 17.311 5.204 ( 2.446 0.000 -2.179) 3.276 5.271 ( -4.044 0.000 -7.864) 8.843 5.271 ( 6.963 0.000 17.444) 18.782 5.415 ( -3.145 0.000 -0.028) 3.145 5.770 ( 10.201 0.000 4.189) 11.027 5.834 ( -5.703 0.000 -2.607) 6.270 5.884 ( 4.744 0.000 4.199) 6.336 6.195 ( -5.026 0.000 1.099) 5.145 6.221 ( 5.975 0.000 -5.550) 8.154 6.294 ( 1.276 0.000 -4.176) 4.367 6.463 ( 15.246 0.000 14.174) 20.817 6.645 ( 4.486 0.000 -10.624) 11.532 6.768 ( 5.106 0.000 -1.388) 5.291 6.774 ( 2.262 0.000 8.419) 8.718 6.866 ( -8.219 0.000 -7.168) 10.906 7.025 ( 2.938 0.000 -6.859) 7.462 7.092 ( -1.364 0.000 -7.883) 8.000 7.276 ( 5.686 0.000 0.685) 5.727 7.389 ( 6.470 0.000 5.808) 8.694 7.704 ( -3.403 0.000 0.037) 3.404 7.711 ( 4.609 0.000 5.011) 6.808 8.049 ( -4.596 0.000 4.969) 6.769 8.215 ( -13.632 0.000 -1.815) 13.752 8.335 ( -19.038 0.000 6.040) 19.973 8.388 ( -2.283 0.000 -0.653) 2.375 8.567 ( -12.343 0.000 1.663) 12.454 8.570 ( 3.349 0.000 2.423) 4.134 8.906 ( 1.386 0.000 -9.833) 9.930 9.090 ( -1.364 0.000 -1.158) 1.790 9.221 ( 4.947 0.000 0.143) 4.949 9.280 ( -1.525 0.000 1.776) 2.341 9.510 ( 0.478 0.000 -7.675) 7.690 9.516 ( -14.258 0.000 -0.215) 14.260 9.691 ( -6.634 0.000 -4.008) 7.750 9.831 ( -9.736 0.000 -4.686) 10.805 10.184 ( 12.191 0.000 3.647) 12.725 10.503 ( -3.941 0.000 4.454) 5.947 10.810 ( -2.931 0.000 -0.933) 3.076 10.890 ( 0.916 0.000 -2.027) 2.224 11.104 ( -0.086 0.000 10.692) 10.693 11.199 ( -4.026 0.000 0.549) 4.063 11.430 ( -4.148 0.000 -9.462) 10.331 11.517 ( -1.151 0.000 2.332) 2.601 11.604 ( -8.096 0.000 7.278) 10.887 11.867 ( 2.991 0.000 1.717) 3.449 11.954 ( -3.810 0.000 5.241) 6.480 11.969 ( -13.808 0.000 4.996) 14.684 12.063 ( -6.140 0.000 -0.344) 6.149 12.273 ( -2.678 0.000 -7.931) 8.371 12.273 ( 2.253 0.000 0.966) 2.452 12.478 ( -4.217 0.000 -0.307) 4.228 12.547 ( 17.502 0.000 -5.759) 18.425 12.868 ( 11.494 0.000 6.887) 13.399 13.050 ( 14.348 0.000 4.609) 15.070 13.111 ( 6.256 0.000 0.947) 6.327 13.167 ( 18.764 0.000 -0.711) 18.777 13.321 ( 22.560 0.000 -6.307) 23.425 13.910 ( 3.439 0.000 8.048) 8.752 14.061 ( -3.856 0.000 -13.892) 14.417 14.200 ( -2.219 0.000 -2.154) 3.093 14.453 ( 10.851 0.000 3.260) 11.330 14.478 ( 13.406 0.000 4.395) 14.108 14.695 ( 0.965 0.000 8.621) 8.675 15.451 ( -5.828 0.000 0.767) 5.879 15.988 ( -8.276 0.000 2.150) 8.550 16.854 ( -11.896 0.000 -7.952) 14.309 17.755 ( -11.440 0.000 -6.464) 13.140 18.082 ( 6.561 0.000 -5.764) 8.733 18.433 ( -4.669 0.000 4.004) 6.151 19.141 ( -7.744 0.000 -13.550) 15.606 19.447 ( -21.105 0.000 18.803) 28.266 19.638 ( -1.438 0.000 14.338) 14.410 20.100 ( 18.695 0.000 -15.074) 24.015 21.105 ( -1.554 0.000 4.074) 4.360 21.562 ( 1.885 0.000 -5.618) 5.926 21.816 ( 6.767 0.000 2.099) 7.085 21.935 ( 3.054 0.000 -1.124) 3.254 22.206 ( -6.088 0.000 -0.770) 6.137 22.285 ( 5.133 0.000 -7.512) 9.098 22.516 ( -5.942 0.000 10.421) 11.996 22.533 ( -0.408 0.000 -4.344) 4.363 22.853 ( 0.149 0.000 -3.169) 3.173 23.059 ( 0.616 0.000 -2.262) 2.344 28.433 ( 5.569 0.000 0.958) 5.651 28.466 ( 6.167 0.000 2.196) 6.546 28.730 ( 8.529 0.000 -0.021) 8.529 29.119 ( 9.037 0.000 9.154) 12.864 29.703 ( 0.595 0.000 -12.341) 12.355 29.745 ( -9.702 0.000 8.316) 12.778 30.264 ( 2.805 0.000 1.516) 3.189 30.439 ( -6.985 0.000 5.551) 8.922 30.645 ( -0.391 0.000 -0.264) 0.471 30.791 ( -1.777 0.000 4.385) 4.731 31.048 ( -4.343 0.000 -4.638) 6.354 31.101 ( -4.060 0.000 -4.438) 6.015 31.282 ( 10.249 0.000 12.666) 16.294 31.456 ( 0.086 0.000 4.011) 4.012 31.493 ( 8.109 0.000 -4.404) 9.227 31.784 ( -5.822 0.000 -1.781) 6.089 32.027 ( 0.972 0.000 -4.398) 4.504 32.040 ( 0.503 0.000 4.717) 4.744 32.504 ( -5.835 0.000 -4.745) 7.521 32.582 ( -4.222 0.000 -0.232) 4.229 32.832 ( -3.850 0.000 6.351) 7.427 33.093 ( 5.419 0.000 -1.389) 5.594 33.107 ( 6.478 0.000 -4.260) 7.753 33.155 ( -0.386 0.000 0.316) 0.499 33.527 ( -3.386 0.000 -5.608) 6.551 33.656 ( -5.654 0.000 -2.946) 6.376 34.151 ( -6.902 0.000 8.770) 11.160 34.241 ( 7.855 0.000 -10.596) 13.190 ======================= Grid point 129 (67/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 2.518 0.000 1.018) 2.716 1.736 ( 6.781 0.000 -9.689) 11.826 1.838 ( 8.999 0.000 -5.114) 10.350 2.134 ( 1.943 0.000 -5.283) 5.629 2.216 ( -3.173 0.000 -2.808) 4.237 2.326 ( -10.281 0.000 4.284) 11.138 2.383 ( -7.253 0.000 -7.693) 10.572 2.484 ( 4.578 0.000 -5.335) 7.030 2.591 ( -3.921 0.000 5.470) 6.730 2.641 ( -2.429 0.000 -6.073) 6.541 2.889 ( -4.349 0.000 0.760) 4.415 3.012 ( -4.039 0.000 -0.951) 4.149 3.126 ( 0.777 0.000 0.639) 1.006 3.212 ( 6.319 0.000 2.548) 6.813 3.338 ( -2.654 0.000 -3.693) 4.547 3.380 ( -1.627 0.000 10.823) 10.945 3.384 ( 17.294 0.000 -17.192) 24.385 3.475 ( -2.180 0.000 5.338) 5.766 3.524 ( 1.495 0.000 11.870) 11.964 3.637 ( 17.000 0.000 1.320) 17.051 3.853 ( 14.413 0.000 -18.637) 23.560 3.873 ( 3.435 0.000 17.942) 18.268 4.077 ( -15.702 0.000 2.708) 15.934 4.115 ( -7.542 0.000 -5.442) 9.300 4.211 ( 12.366 0.000 12.919) 17.884 4.260 ( 9.445 0.000 -4.860) 10.622 4.521 ( 4.337 0.000 4.241) 6.066 4.534 ( 14.533 0.000 -4.316) 15.160 4.668 ( -0.970 0.000 8.179) 8.236 4.689 ( 0.381 0.000 -0.872) 0.952 4.793 ( 9.051 0.000 -4.534) 10.123 4.814 ( -2.710 0.000 -5.911) 6.503 5.049 ( 3.960 0.000 5.310) 6.624 5.154 ( -6.477 0.000 3.406) 7.318 5.393 ( 12.722 0.000 -0.707) 12.741 5.416 ( -13.552 0.000 1.717) 13.660 5.482 ( 8.681 0.000 6.557) 10.878 5.689 ( 1.979 0.000 3.341) 3.884 5.923 ( 3.109 0.000 -3.176) 4.444 5.985 ( -3.400 0.000 7.145) 7.913 6.139 ( -3.695 0.000 4.728) 6.000 6.240 ( 3.438 0.000 -1.690) 3.831 6.303 ( 2.253 0.000 -3.334) 4.024 6.569 ( 10.457 0.000 -5.462) 11.798 6.626 ( -2.159 0.000 -4.050) 4.590 6.719 ( -1.722 0.000 1.561) 2.325 6.885 ( 8.136 0.000 2.823) 8.612 6.904 ( -1.056 0.000 -2.802) 2.995 7.085 ( 20.961 0.000 -7.238) 22.176 7.155 ( 1.793 0.000 0.783) 1.956 7.212 ( -9.916 0.000 1.088) 9.976 7.464 ( -2.503 0.000 -0.023) 2.503 7.481 ( -21.941 0.000 -3.846) 22.276 7.766 ( 3.536 0.000 -1.683) 3.916 7.872 ( -14.375 0.000 -6.759) 15.885 8.002 ( -10.345 0.000 3.758) 11.006 8.125 ( -10.679 0.000 9.213) 14.104 8.350 ( -10.198 0.000 -3.095) 10.657 8.531 ( 8.975 0.000 9.884) 13.351 8.657 ( 1.597 0.000 5.198) 5.438 8.862 ( 2.094 0.000 -6.007) 6.361 9.035 ( -0.744 0.000 -7.438) 7.475 9.242 ( -2.572 0.000 0.257) 2.585 9.291 ( -2.022 0.000 3.533) 4.071 9.348 ( -8.720 0.000 9.171) 12.655 9.435 ( 3.824 0.000 -9.917) 10.628 9.575 ( -2.187 0.000 -3.848) 4.426 9.681 ( -3.227 0.000 -4.557) 5.585 10.378 ( 5.785 0.000 2.695) 6.382 10.489 ( -2.012 0.000 1.343) 2.419 10.816 ( 3.642 0.000 -0.307) 3.655 10.871 ( -0.414 0.000 0.998) 1.080 11.186 ( 0.275 0.000 5.832) 5.839 11.205 ( 0.628 0.000 2.443) 2.522 11.308 ( 1.549 0.000 -7.786) 7.938 11.512 ( -5.855 0.000 -0.337) 5.864 11.591 ( 0.368 0.000 4.377) 4.392 11.825 ( -9.680 0.000 16.095) 18.782 11.847 ( -7.644 0.000 1.367) 7.765 11.946 ( 1.495 0.000 -10.493) 10.599 11.949 ( -2.511 0.000 6.237) 6.723 12.201 ( 1.439 0.000 -4.246) 4.483 12.260 ( -2.105 0.000 -6.136) 6.487 12.348 ( -8.187 0.000 -2.030) 8.435 12.780 ( 14.659 0.000 -5.097) 15.520 12.994 ( -3.176 0.000 5.775) 6.590 13.148 ( 8.452 0.000 -7.367) 11.212 13.190 ( 0.554 0.000 3.109) 3.158 13.627 ( 19.240 0.000 -7.961) 20.822 13.680 ( 18.653 0.000 6.619) 19.792 13.896 ( -1.485 0.000 -5.497) 5.694 14.107 ( -4.668 0.000 -4.002) 6.148 14.175 ( 12.285 0.000 19.587) 23.121 14.678 ( 8.419 0.000 4.453) 9.524 14.700 ( 6.005 0.000 4.229) 7.345 14.772 ( -0.703 0.000 3.856) 3.920 15.398 ( -1.924 0.000 2.014) 2.786 15.729 ( -15.303 0.000 -7.909) 17.226 16.758 ( 3.096 0.000 3.397) 4.596 17.391 ( -17.521 0.000 -12.060) 21.270 18.175 ( 9.710 0.000 -4.849) 10.854 18.372 ( -6.554 0.000 3.866) 7.609 18.937 ( -1.050 0.000 -10.004) 10.059 19.163 ( -21.698 0.000 7.951) 23.108 19.883 ( 3.233 0.000 20.622) 20.874 20.197 ( 10.748 0.000 -17.486) 20.525 21.151 ( -1.782 0.000 12.341) 12.469 21.432 ( -2.045 0.000 -12.443) 12.610 21.961 ( 2.413 0.000 -3.140) 3.960 21.996 ( 4.510 0.000 2.357) 5.089 22.117 ( -2.305 0.000 3.561) 4.242 22.285 ( 3.114 0.000 -7.796) 8.395 22.511 ( 3.547 0.000 -5.722) 6.732 22.522 ( -5.762 0.000 10.227) 11.739 22.852 ( 2.843 0.000 -1.514) 3.221 23.009 ( -2.548 0.000 -3.586) 4.399 28.542 ( 5.274 0.000 0.930) 5.355 28.581 ( 3.662 0.000 1.959) 4.153 28.887 ( 8.508 0.000 1.934) 8.725 29.202 ( -4.316 0.000 0.961) 4.422 29.584 ( 2.325 0.000 -11.523) 11.755 29.656 ( -9.374 0.000 7.185) 11.811 30.408 ( -3.873 0.000 7.235) 8.206 30.429 ( 6.248 0.000 4.649) 7.787 30.629 ( 0.031 0.000 1.648) 1.648 30.815 ( -1.170 0.000 3.987) 4.155 30.947 ( -2.831 0.000 -2.413) 3.720 30.964 ( -3.740 0.000 -7.684) 8.546 31.404 ( -0.377 0.000 -0.389) 0.542 31.530 ( 1.952 0.000 3.173) 3.725 31.699 ( -0.814 0.000 8.881) 8.918 31.745 ( 13.077 0.000 5.079) 14.029 31.995 ( 0.544 0.000 -5.315) 5.343 32.101 ( 0.512 0.000 4.466) 4.495 32.319 ( -7.448 0.000 -7.639) 10.669 32.431 ( -8.213 0.000 -6.283) 10.340 32.867 ( 0.314 0.000 6.899) 6.906 33.094 ( -2.935 0.000 -5.239) 6.005 33.167 ( 4.468 0.000 -3.026) 5.397 33.171 ( 3.303 0.000 0.353) 3.322 33.502 ( 2.351 0.000 -1.341) 2.707 33.558 ( -3.083 0.000 -1.141) 3.287 34.138 ( -5.025 0.000 10.521) 11.660 34.240 ( 5.063 0.000 -11.583) 12.642 ======================= Grid point 130 (68/78) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -3.288 0.000 -5.334) 6.266 1.690 ( 3.288 0.000 5.334) 6.266 1.970 ( -6.338 0.000 -6.403) 9.010 1.970 ( 6.338 0.000 6.403) 9.010 2.216 ( 6.746 0.000 -4.378) 8.042 2.216 ( -6.746 0.000 4.378) 8.042 2.422 ( -4.630 0.000 -5.773) 7.400 2.422 ( 4.630 0.000 5.773) 7.400 2.570 ( 2.725 0.000 -6.597) 7.137 2.570 ( -2.725 0.000 6.597) 7.137 2.906 ( -3.997 0.000 -3.888) 5.576 2.906 ( 3.997 0.000 3.888) 5.576 3.212 ( -6.099 0.000 -4.728) 7.717 3.212 ( 6.099 0.000 4.728) 7.717 3.323 ( -4.758 0.000 -1.080) 4.879 3.323 ( 4.758 0.000 1.080) 4.879 3.458 ( 15.555 0.000 -24.710) 29.198 3.458 ( -15.555 0.000 24.710) 29.198 3.665 ( -0.778 0.000 -4.102) 4.175 3.665 ( 0.778 0.000 4.102) 4.175 3.960 ( 9.576 0.000 -16.692) 19.244 3.960 ( -9.576 0.000 16.692) 19.244 3.986 ( 1.052 0.000 -8.069) 8.138 3.986 ( -1.052 0.000 8.069) 8.138 4.547 ( -0.736 0.000 -0.200) 0.763 4.547 ( 0.736 0.000 0.200) 0.763 4.615 ( 4.790 0.000 -5.411) 7.226 4.615 ( -4.790 0.000 5.411) 7.226 4.646 ( 4.867 0.000 -2.569) 5.503 4.646 ( -4.867 0.000 2.569) 5.503 4.778 ( -10.867 0.000 -8.451) 13.766 4.778 ( 10.867 0.000 8.451) 13.766 5.003 ( -9.568 0.000 -0.129) 9.569 5.003 ( 9.568 0.000 0.129) 9.569 5.397 ( -2.901 0.000 -8.964) 9.422 5.397 ( 2.901 0.000 8.964) 9.422 5.775 ( -8.892 0.000 -0.654) 8.916 5.775 ( 8.892 0.000 0.654) 8.916 5.918 ( 8.112 0.000 -9.301) 12.342 5.918 ( -8.112 0.000 9.301) 12.342 6.157 ( -1.969 0.000 -8.728) 8.948 6.157 ( 1.969 0.000 8.728) 8.948 6.463 ( -11.939 0.000 -5.313) 13.068 6.463 ( 11.939 0.000 5.313) 13.068 6.824 ( -12.061 0.000 1.913) 12.212 6.824 ( 12.061 0.000 -1.913) 12.212 6.912 ( -10.964 0.000 -1.618) 11.083 6.912 ( 10.964 0.000 1.618) 11.083 7.011 ( -1.555 0.000 -1.729) 2.325 7.011 ( 1.555 0.000 1.729) 2.325 7.299 ( -10.494 0.000 -1.645) 10.622 7.299 ( 10.494 0.000 1.645) 10.622 7.505 ( -20.701 0.000 0.838) 20.718 7.505 ( 20.701 0.000 -0.838) 20.718 7.859 ( 11.747 0.000 -8.133) 14.288 7.859 ( -11.747 0.000 8.133) 14.288 8.176 ( -3.956 0.000 -6.500) 7.609 8.176 ( 3.956 0.000 6.500) 7.609 8.700 ( 3.119 0.000 -2.619) 4.073 8.700 ( -3.119 0.000 2.619) 4.073 8.907 ( -3.781 0.000 -7.258) 8.184 8.907 ( 3.781 0.000 7.258) 8.184 9.239 ( -1.808 0.000 -1.135) 2.135 9.239 ( 1.808 0.000 1.135) 2.135 9.383 ( 2.992 0.000 -13.928) 14.246 9.383 ( -2.992 0.000 13.928) 14.246 9.590 ( -2.442 0.000 -4.244) 4.896 9.590 ( 2.442 0.000 4.244) 4.896 10.455 ( -1.628 0.000 -1.686) 2.344 10.455 ( 1.628 0.000 1.686) 2.344 10.871 ( 2.729 0.000 -2.002) 3.385 10.871 ( -2.729 0.000 2.002) 3.385 11.228 ( 0.578 0.000 -1.783) 1.875 11.228 ( -0.578 0.000 1.783) 1.875 11.354 ( -7.257 0.000 -1.623) 7.437 11.354 ( 7.257 0.000 1.623) 7.437 11.690 ( -5.632 0.000 -5.591) 7.936 11.690 ( 5.632 0.000 5.591) 7.936 11.890 ( 3.542 0.000 -11.200) 11.747 11.890 ( -3.542 0.000 11.200) 11.747 12.072 ( -3.317 0.000 -16.631) 16.959 12.072 ( 3.317 0.000 16.631) 16.959 12.229 ( 6.157 0.000 -3.537) 7.101 12.229 ( -6.157 0.000 3.537) 7.101 12.936 ( 9.654 0.000 -5.672) 11.197 12.936 ( -9.654 0.000 5.672) 11.197 13.197 ( 5.152 0.000 -6.490) 8.287 13.197 ( -5.152 0.000 6.490) 8.287 13.785 ( 8.136 0.000 -7.243) 10.893 13.785 ( -8.136 0.000 7.243) 10.893 13.972 ( -7.088 0.000 -2.304) 7.453 13.972 ( 7.088 0.000 2.304) 7.453 14.610 ( -14.055 0.000 -9.839) 17.156 14.610 ( 14.055 0.000 9.839) 17.156 14.788 ( -0.178 0.000 -1.761) 1.770 14.788 ( 0.178 0.000 1.761) 1.770 15.453 ( -5.701 0.000 -5.580) 7.977 15.453 ( 5.701 0.000 5.580) 7.977 16.987 ( -13.485 0.000 -11.244) 17.557 16.987 ( 13.485 0.000 11.244) 17.557 18.288 ( 8.270 0.000 -4.452) 9.392 18.288 ( -8.270 0.000 4.452) 9.392 18.938 ( 11.517 0.000 -7.020) 13.488 18.938 ( -11.517 0.000 7.020) 13.488 20.110 ( 1.551 0.000 -19.719) 19.779 20.110 ( -1.551 0.000 19.719) 19.779 21.279 ( 0.526 0.000 -15.330) 15.339 21.279 ( -0.526 0.000 15.330) 15.339 21.978 ( 3.240 0.000 -1.854) 3.733 21.978 ( -3.240 0.000 1.854) 3.733 22.219 ( -1.814 0.000 -7.681) 7.892 22.219 ( 1.814 0.000 7.681) 7.892 22.521 ( 5.480 0.000 -8.574) 10.176 22.521 ( -5.480 0.000 8.574) 10.176 22.918 ( -3.865 0.000 -2.266) 4.480 22.918 ( 3.865 0.000 2.266) 4.480 28.610 ( -1.684 0.000 0.344) 1.719 28.610 ( 1.684 0.000 -0.344) 1.719 29.062 ( -8.332 0.000 -3.412) 9.003 29.062 ( 8.332 0.000 3.412) 9.003 29.580 ( 7.373 0.000 -7.437) 10.473 29.580 ( -7.373 0.000 7.437) 10.473 30.445 ( 1.007 0.000 -7.136) 7.207 30.445 ( -1.007 0.000 7.136) 7.207 30.751 ( -5.235 0.000 -6.697) 8.501 30.751 ( 5.235 0.000 6.697) 8.501 30.898 ( 1.697 0.000 -0.634) 1.811 30.898 ( -1.697 0.000 0.634) 1.811 31.451 ( -4.864 0.000 -1.367) 5.053 31.451 ( 4.864 0.000 1.367) 5.053 31.889 ( -3.343 0.000 -10.510) 11.029 31.889 ( 3.343 0.000 10.510) 11.029 32.024 ( -10.551 0.000 -5.260) 11.789 32.024 ( 10.551 0.000 5.260) 11.789 32.246 ( -4.598 0.000 -3.870) 6.010 32.246 ( 4.598 0.000 3.870) 6.010 32.973 ( -3.205 0.000 -6.993) 7.692 32.973 ( 3.205 0.000 6.993) 7.692 33.197 ( 1.758 0.000 -2.275) 2.875 33.197 ( -1.758 0.000 2.275) 2.875 33.523 ( -0.553 0.000 -0.603) 0.819 33.523 ( 0.553 0.000 0.603) 0.819 34.188 ( 3.288 0.000 -12.078) 12.518 34.188 ( -3.288 0.000 12.078) 12.518 ======================= Grid point 135 (69/78) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -3.762 2.871 -15.009) 15.737 1.769 ( 3.762 2.871 15.009) 15.737 1.921 ( 0.790 4.981 -17.193) 17.918 1.921 ( -0.790 4.981 17.193) 17.918 2.017 ( -4.800 -3.225 -8.212) 10.044 2.017 ( 4.800 -3.225 8.212) 10.044 2.504 ( -4.698 0.548 -8.759) 9.955 2.504 ( 4.698 0.548 8.759) 9.955 2.628 ( 0.714 0.911 -2.322) 2.594 2.628 ( -0.714 0.911 2.322) 2.594 2.761 ( 1.122 -4.438 -3.197) 5.583 2.761 ( -1.122 -4.438 3.197) 5.583 2.981 ( 1.780 1.280 -3.629) 4.240 2.981 ( -1.780 1.280 3.629) 4.240 3.022 ( -3.910 4.255 -9.117) 10.794 3.022 ( 3.910 4.255 9.117) 10.794 3.235 ( -1.699 0.677 -5.286) 5.593 3.235 ( 1.699 0.677 5.286) 5.593 3.406 ( -1.494 0.308 -2.181) 2.662 3.406 ( 1.494 0.308 2.181) 2.662 3.591 ( 7.206 -5.369 -5.519) 10.546 3.591 ( -7.206 -5.369 5.519) 10.546 3.666 ( -1.614 4.165 -7.310) 8.567 3.666 ( 1.614 4.165 7.310) 8.567 4.049 ( 7.940 -3.682 -14.757) 17.158 4.049 ( -7.940 -3.682 14.757) 17.158 4.453 ( -8.877 -1.892 -6.800) 11.341 4.453 ( 8.877 -1.892 6.800) 11.341 4.732 ( -4.767 -1.347 -0.196) 4.958 4.732 ( 4.767 -1.347 0.196) 4.958 4.904 ( -8.524 2.444 -2.783) 9.294 4.904 ( 8.524 2.444 2.783) 9.294 5.221 ( 3.687 4.799 -8.951) 10.805 5.221 ( -3.687 4.799 8.951) 10.805 5.453 ( -0.414 -5.280 -5.075) 7.335 5.453 ( 0.414 -5.280 5.075) 7.335 5.816 ( -1.029 4.836 -7.438) 8.931 5.816 ( 1.029 4.836 7.438) 8.931 5.886 ( 0.782 3.086 -1.350) 3.458 5.886 ( -0.782 3.086 1.350) 3.458 6.206 ( -11.501 3.079 -7.849) 14.261 6.206 ( 11.501 3.079 7.849) 14.261 6.294 ( -11.370 4.903 -4.245) 13.090 6.294 ( 11.370 4.903 4.245) 13.090 6.429 ( -7.056 -6.839 -7.322) 12.255 6.429 ( 7.056 -6.839 7.322) 12.255 6.693 ( -4.549 3.514 -5.693) 8.090 6.693 ( 4.549 3.514 5.693) 8.090 6.919 ( -8.028 2.853 -5.467) 10.123 6.919 ( 8.028 2.853 5.467) 10.123 7.306 ( 3.107 -4.590 -2.599) 6.122 7.306 ( -3.107 -4.590 2.599) 6.122 7.605 ( -3.234 -7.995 -4.695) 9.819 7.605 ( 3.234 -7.995 4.695) 9.819 7.969 ( -4.940 -19.477 -2.965) 20.312 7.969 ( 4.940 -19.477 2.965) 20.312 8.556 ( -5.716 -2.040 -1.092) 6.166 8.556 ( 5.716 -2.040 1.092) 6.166 8.678 ( 4.368 0.340 -5.311) 6.885 8.678 ( -4.368 0.340 5.311) 6.885 9.127 ( 2.797 0.770 -9.867) 10.285 9.127 ( -2.797 0.770 9.867) 10.285 9.276 ( 4.845 4.195 -9.202) 11.214 9.276 ( -4.845 4.195 9.202) 11.214 9.732 ( -6.365 6.381 -4.969) 10.291 9.732 ( 6.365 6.381 4.969) 10.291 9.987 ( -1.468 6.557 -1.411) 6.866 9.987 ( 1.468 6.557 1.411) 6.866 10.413 ( -4.485 -2.538 -7.022) 8.710 10.413 ( 4.485 -2.538 7.022) 8.710 10.795 ( -6.178 5.635 -1.671) 8.527 10.795 ( 6.178 5.635 1.671) 8.527 11.344 ( -12.236 -0.567 0.732) 12.271 11.344 ( 12.236 -0.567 -0.732) 12.271 11.535 ( 3.696 -0.714 -4.668) 5.997 11.535 ( -3.696 -0.714 4.668) 5.997 11.668 ( -0.320 0.183 -2.666) 2.692 11.668 ( 0.320 0.183 2.666) 2.692 11.945 ( 0.999 2.058 -4.137) 4.727 11.945 ( -0.999 2.058 4.137) 4.727 12.204 ( -0.577 -1.080 -0.658) 1.390 12.204 ( 0.577 -1.080 0.658) 1.390 12.369 ( -4.104 -1.021 -4.403) 6.105 12.369 ( 4.104 -1.021 4.403) 6.105 12.572 ( -6.296 0.447 -0.328) 6.320 12.572 ( 6.296 0.447 0.328) 6.320 12.765 ( -5.142 -0.573 -1.889) 5.508 12.765 ( 5.142 -0.573 1.889) 5.508 12.991 ( -2.110 2.184 -2.867) 4.176 12.991 ( 2.110 2.184 2.867) 4.176 13.851 ( -9.328 -8.335 -2.687) 12.795 13.851 ( 9.328 -8.335 2.687) 12.795 14.125 ( 2.844 -4.514 -5.858) 7.924 14.125 ( -2.844 -4.514 5.858) 7.924 14.520 ( -0.240 1.950 -6.487) 6.778 14.520 ( 0.240 1.950 6.487) 6.778 15.780 ( -6.456 -1.435 -4.692) 8.109 15.780 ( 6.456 -1.435 4.692) 8.109 17.685 ( -11.075 -0.153 -4.202) 11.846 17.685 ( 11.075 -0.153 4.202) 11.846 18.335 ( -4.057 13.247 -8.610) 16.312 18.335 ( 4.057 13.247 8.610) 16.312 19.451 ( 6.928 -9.424 -12.009) 16.764 19.451 ( -6.928 -9.424 12.009) 16.764 19.832 ( -4.267 3.950 -5.067) 7.712 19.832 ( 4.267 3.950 5.067) 7.712 21.133 ( -4.783 -0.025 -6.342) 7.943 21.133 ( 4.783 -0.025 6.342) 7.944 21.922 ( 0.541 2.956 -2.548) 3.940 21.922 ( -0.541 2.956 2.548) 3.940 22.266 ( 1.964 -3.212 -4.662) 5.992 22.266 ( -1.964 -3.212 4.662) 5.992 22.626 ( 1.995 1.833 -2.440) 3.646 22.626 ( -1.995 1.833 2.440) 3.646 22.908 ( -5.870 -3.435 -2.247) 7.162 22.908 ( 5.870 -3.435 2.247) 7.162 28.320 ( -0.014 -0.173 -0.223) 0.283 28.320 ( 0.014 -0.173 0.223) 0.283 28.572 ( -2.685 0.070 -0.914) 2.837 28.572 ( 2.685 0.070 0.914) 2.837 29.839 ( 3.709 1.932 -9.525) 10.403 29.839 ( -3.709 1.932 9.525) 10.403 30.508 ( -3.207 -3.324 -8.367) 9.557 30.508 ( 3.207 -3.324 8.367) 9.557 30.647 ( -3.105 -2.719 -1.736) 4.478 30.647 ( 3.105 -2.719 1.736) 4.478 31.026 ( -11.607 3.644 1.988) 12.327 31.026 ( 11.607 3.644 -1.988) 12.327 31.220 ( -4.624 -1.365 -1.444) 5.033 31.220 ( 4.624 -1.365 1.444) 5.033 31.751 ( -6.755 -0.933 1.497) 6.981 31.751 ( 6.755 -0.933 -1.497) 6.981 32.063 ( 3.634 1.883 -5.261) 6.666 32.063 ( -3.634 1.883 5.261) 6.666 32.685 ( 2.175 6.850 -5.853) 9.269 32.685 ( -2.175 6.850 5.853) 9.269 32.898 ( 7.119 -3.155 -2.733) 8.253 32.898 ( -7.119 -3.155 2.733) 8.253 33.065 ( -1.635 -1.051 -3.264) 3.799 33.065 ( 1.635 -1.051 3.264) 3.799 33.846 ( 3.017 -2.173 -3.814) 5.326 33.846 ( -3.017 -2.173 3.814) 5.326 34.146 ( 4.774 1.404 -7.968) 9.394 34.146 ( -4.774 1.404 7.968) 9.394 ======================= Grid point 137 (70/78) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 7.709 2.226 -24.971) 26.229 1.699 ( 10.270 1.827 -19.891) 22.460 1.935 ( 4.244 -3.809 0.515) 5.726 1.986 ( -6.177 0.820 13.011) 14.426 2.130 ( 9.721 1.928 -4.860) 11.038 2.258 ( 8.897 3.870 5.978) 11.396 2.453 ( 1.969 -7.470 -2.570) 8.141 2.546 ( -3.747 -3.014 4.215) 6.394 2.667 ( 3.928 -0.235 -0.923) 4.041 2.737 ( 2.734 -3.916 3.495) 5.918 2.785 ( 6.275 1.200 -2.433) 6.836 2.835 ( 6.456 1.249 0.946) 6.644 2.949 ( 3.340 6.463 -6.031) 9.450 3.035 ( 4.755 3.297 1.823) 6.067 3.051 ( 9.581 4.602 6.527) 12.473 3.165 ( 4.636 3.717 -0.567) 5.969 3.250 ( 3.496 3.284 2.657) 5.483 3.337 ( 0.307 5.245 3.405) 6.261 3.357 ( 4.177 -2.263 -3.764) 6.061 3.443 ( 2.288 -3.722 2.058) 4.830 3.529 ( -3.741 -4.877 5.438) 8.207 3.689 ( 4.983 6.949 8.899) 12.342 3.718 ( 13.709 -2.950 -6.276) 15.363 3.803 ( 4.635 -2.974 1.651) 5.749 4.054 ( 7.256 -3.498 -10.026) 12.861 4.127 ( -1.001 -3.231 13.286) 13.710 4.281 ( -1.625 0.182 5.559) 5.794 4.543 ( -6.961 -2.262 -1.339) 7.441 4.609 ( -5.107 1.662 8.587) 10.128 4.729 ( -8.755 0.277 0.488) 8.773 4.824 ( 1.230 -3.384 -0.542) 3.641 4.995 ( 1.526 -2.951 -4.518) 5.607 5.113 ( -6.863 0.824 -3.513) 7.753 5.278 ( -3.080 7.564 7.759) 11.265 5.422 ( 1.019 -9.307 -10.275) 13.901 5.440 ( -4.941 -3.627 -2.695) 6.696 5.572 ( -13.474 2.269 -9.001) 16.362 5.718 ( -8.202 6.370 -7.026) 12.539 5.820 ( 7.277 9.237 0.343) 11.764 6.059 ( 8.432 6.442 13.500) 17.171 6.123 ( -0.777 -1.096 5.203) 5.373 6.164 ( -4.352 6.427 -2.299) 8.096 6.250 ( 0.812 1.705 0.404) 1.931 6.403 ( 1.721 3.467 -1.554) 4.171 6.494 ( 2.055 0.521 -7.675) 7.962 6.582 ( 6.361 -0.896 8.834) 10.923 6.732 ( 10.756 -5.425 6.533) 13.704 6.817 ( 8.405 -2.869 3.969) 9.728 6.961 ( 6.198 1.784 1.011) 6.528 7.144 ( 3.715 -1.852 1.415) 4.386 7.207 ( -2.465 -4.810 -4.121) 6.797 7.331 ( -0.903 -0.064 -6.128) 6.195 7.519 ( 4.176 -0.599 4.413) 6.105 7.667 ( 1.374 -6.637 2.100) 7.095 7.882 ( -4.161 -19.486 2.371) 20.066 8.111 ( 4.343 -17.389 4.971) 18.600 8.407 ( -8.178 -1.443 -1.065) 8.373 8.558 ( -6.801 -3.766 -2.990) 8.329 8.613 ( -7.367 -2.895 2.198) 8.215 8.675 ( -1.332 4.809 -1.294) 5.155 9.038 ( -0.268 0.648 -11.408) 11.430 9.104 ( -2.566 -1.569 -2.758) 4.081 9.230 ( -3.492 1.304 6.651) 7.624 9.349 ( 3.200 6.157 -1.255) 7.051 9.605 ( -2.665 4.637 -5.018) 7.333 9.816 ( -10.229 4.892 -2.209) 11.552 9.885 ( -4.560 5.256 -0.318) 6.966 9.967 ( 6.427 8.644 0.336) 10.777 10.214 ( -9.708 5.232 -5.677) 12.404 10.572 ( -2.132 -8.126 4.827) 9.689 10.675 ( 1.197 4.703 4.542) 6.647 10.941 ( 4.675 3.527 -3.959) 7.069 11.121 ( -12.491 4.141 12.596) 18.216 11.392 ( -13.345 0.444 -1.234) 13.410 11.526 ( -2.772 -2.991 4.281) 5.912 11.548 ( 1.661 -0.494 -7.820) 8.010 11.664 ( 2.473 -1.814 2.730) 4.106 11.726 ( 3.995 0.129 1.586) 4.300 11.915 ( -0.491 -2.858 2.634) 3.917 12.001 ( 0.328 2.183 4.792) 5.277 12.092 ( -6.056 -1.399 0.294) 6.222 12.277 ( 6.744 0.462 0.050) 6.760 12.379 ( -5.472 -4.139 -4.707) 8.320 12.391 ( 4.992 1.332 -1.042) 5.270 12.506 ( -0.072 1.385 -6.012) 6.170 12.689 ( 15.458 1.783 2.396) 15.744 12.728 ( 2.883 4.889 -0.108) 5.676 12.970 ( 14.479 1.011 0.181) 14.515 13.034 ( 9.273 -0.782 -0.646) 9.328 13.076 ( 4.556 0.773 0.236) 4.627 13.756 ( 0.777 -7.275 -2.135) 7.622 14.083 ( 9.161 -10.480 1.409) 13.991 14.136 ( 4.926 -2.579 -5.661) 7.935 14.174 ( 7.064 -2.748 2.551) 7.998 14.448 ( -1.717 4.719 -2.015) 5.411 14.598 ( 0.785 0.183 7.247) 7.292 15.615 ( -7.900 2.533 -2.001) 8.534 15.904 ( 1.081 -6.352 5.547) 8.502 17.346 ( -18.736 7.984 -7.898) 21.844 17.798 ( 0.497 -6.107 -0.977) 6.204 18.213 ( -1.496 12.047 -5.425) 13.297 18.481 ( 0.643 7.135 4.898) 8.678 19.324 ( -3.430 -4.267 4.564) 7.128 19.526 ( -11.101 3.001 0.903) 11.535 19.737 ( -7.020 -3.404 9.852) 12.568 19.845 ( 7.388 -3.888 -10.474) 13.394 21.111 ( 5.958 3.635 -3.071) 7.625 21.369 ( 13.172 -1.546 4.936) 14.151 21.865 ( -2.856 2.712 -4.400) 5.905 21.914 ( -1.330 1.180 0.623) 1.884 22.243 ( 0.120 -3.092 -3.190) 4.444 22.265 ( -0.227 -3.114 -0.688) 3.197 22.551 ( -6.327 1.490 5.794) 8.708 22.659 ( -0.310 5.738 -3.674) 6.821 22.812 ( -1.326 -6.735 -1.768) 7.089 23.008 ( 3.711 -2.763 -0.278) 4.635 28.347 ( 3.243 -0.057 0.400) 3.268 28.357 ( 3.810 -0.184 0.947) 3.930 28.612 ( 6.512 1.199 -0.244) 6.626 28.751 ( 13.738 -2.814 5.153) 14.940 29.777 ( 0.421 0.417 -8.472) 8.493 29.837 ( -4.552 1.491 3.838) 6.138 30.320 ( -7.389 -1.397 -5.492) 9.312 30.543 ( -3.792 1.427 3.773) 5.536 30.637 ( 0.299 -0.449 0.421) 0.685 30.797 ( 1.862 -4.560 6.296) 7.994 30.908 ( -1.484 -2.359 6.840) 7.386 31.091 ( -5.766 -4.607 -2.834) 7.906 31.205 ( 5.671 2.228 -2.306) 6.515 31.302 ( 6.727 1.740 -0.364) 6.958 31.638 ( -4.806 2.787 -1.262) 5.697 31.835 ( 4.903 -1.364 -4.072) 6.518 32.034 ( -3.947 1.725 3.541) 5.577 32.053 ( -0.582 0.854 -1.998) 2.250 32.665 ( 1.587 6.208 -5.415) 8.390 32.710 ( -2.578 7.802 6.271) 10.337 32.834 ( -4.462 -1.368 5.927) 7.544 32.969 ( 1.740 -2.743 -2.784) 4.278 33.053 ( 6.186 -1.652 -3.492) 7.293 33.137 ( 2.769 0.555 3.437) 4.448 33.692 ( -12.122 -1.359 -1.434) 12.282 33.800 ( -3.927 -0.694 -4.028) 5.669 34.143 ( -2.825 -0.860 4.704) 5.554 34.189 ( 5.578 -0.258 -5.715) 7.990 ======================= Grid point 138 (71/78) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 15.612 1.449 -18.105) 23.950 1.738 ( 1.280 5.147 -9.636) 10.999 1.863 ( -5.296 2.291 -0.933) 5.846 2.090 ( 10.579 -0.039 -1.820) 10.734 2.214 ( 0.764 -5.150 -1.308) 5.368 2.358 ( 6.991 -0.327 -5.041) 8.625 2.475 ( 1.274 1.390 6.506) 6.774 2.593 ( -6.622 0.919 -3.179) 7.403 2.615 ( 2.342 -8.032 -2.959) 8.874 2.778 ( 0.845 -1.426 1.616) 2.315 2.948 ( -1.061 7.039 0.372) 7.128 2.957 ( 12.762 -1.378 5.389) 13.921 3.079 ( 6.014 0.662 3.642) 7.062 3.111 ( -0.060 2.676 -0.495) 2.722 3.166 ( 1.815 -4.556 -1.377) 5.094 3.242 ( -1.689 0.772 3.969) 4.382 3.318 ( 10.104 4.689 1.067) 11.190 3.367 ( 13.874 4.568 -3.570) 15.036 3.419 ( 0.109 -1.087 0.026) 1.092 3.519 ( 2.155 7.646 1.216) 8.036 3.595 ( 9.502 -4.672 1.100) 10.645 3.729 ( 6.613 -6.633 -2.100) 9.599 3.913 ( 5.572 -1.795 3.581) 6.862 4.137 ( 9.931 -0.666 1.838) 10.122 4.202 ( 5.559 -4.091 -0.379) 6.912 4.242 ( 13.150 -0.238 2.403) 13.370 4.394 ( 0.628 -1.346 3.867) 4.142 4.494 ( -11.784 1.182 -3.211) 12.271 4.521 ( -4.535 0.617 1.607) 4.851 4.568 ( 8.710 9.654 8.736) 15.665 4.833 ( -0.895 -2.802 2.865) 4.106 4.931 ( -4.286 -3.321 -0.883) 5.494 5.032 ( -1.631 -6.410 3.449) 7.459 5.130 ( -8.203 -4.063 -4.070) 10.019 5.221 ( -8.368 -3.536 -5.891) 10.827 5.353 ( -0.680 -6.367 -3.817) 7.455 5.428 ( 1.908 12.077 8.132) 14.684 5.757 ( 4.894 5.515 7.364) 10.421 5.940 ( -2.920 8.556 -4.749) 10.212 6.017 ( 4.705 3.366 -5.566) 8.028 6.197 ( 4.092 4.704 6.667) 9.128 6.304 ( 0.082 3.626 -0.670) 3.688 6.339 ( -0.295 3.691 -3.866) 5.354 6.414 ( 14.002 -3.428 10.674) 17.938 6.589 ( 4.094 -4.146 -4.104) 7.127 6.736 ( -6.435 -3.516 0.227) 7.336 6.810 ( 1.818 1.388 0.855) 2.442 6.881 ( -0.715 0.885 -1.696) 2.042 6.929 ( 5.793 -3.621 -1.195) 6.935 7.143 ( 0.056 0.843 -8.878) 8.918 7.220 ( 3.645 -4.169 -0.695) 5.582 7.383 ( 8.765 0.376 5.928) 10.588 7.627 ( -1.433 -1.874 2.208) 3.231 7.704 ( -3.444 -9.490 3.062) 10.550 7.974 ( 5.815 -4.331 8.882) 11.466 8.097 ( -9.513 -8.668 -2.038) 13.030 8.293 ( -15.804 -1.463 0.204) 15.873 8.364 ( -2.143 -9.510 5.754) 11.320 8.458 ( -9.542 -7.706 -1.737) 12.388 8.575 ( -6.424 3.857 -1.724) 7.689 8.910 ( -1.945 1.005 -7.634) 7.941 9.050 ( 0.738 -5.797 -5.925) 8.322 9.248 ( -2.323 -0.187 4.877) 5.405 9.334 ( -3.229 2.933 -2.535) 5.045 9.531 ( 1.462 3.778 -7.897) 8.876 9.632 ( -9.813 7.811 0.182) 12.544 9.688 ( -7.051 9.134 -4.249) 12.297 9.977 ( -8.629 6.959 -3.773) 11.710 10.209 ( 11.082 3.481 4.573) 12.484 10.536 ( -3.126 1.323 4.041) 5.277 10.802 ( 3.619 -1.474 3.194) 5.047 10.874 ( -3.925 2.530 0.036) 4.670 11.135 ( -4.594 2.547 8.304) 9.826 11.241 ( -0.204 2.792 -2.145) 3.527 11.373 ( -7.457 -4.914 -6.671) 11.147 11.524 ( -2.234 -0.173 2.359) 3.254 11.607 ( -5.847 0.495 5.427) 7.992 11.867 ( 5.376 -1.762 -2.315) 6.113 11.937 ( -10.351 -1.925 2.087) 10.734 11.961 ( -1.394 0.054 5.670) 5.840 12.021 ( -6.362 -1.472 1.311) 6.661 12.254 ( -2.356 -3.941 -5.510) 7.173 12.308 ( 0.860 3.900 -0.518) 4.027 12.435 ( -4.472 -2.522 3.709) 6.334 12.609 ( 16.667 4.725 -6.041) 18.346 12.860 ( 10.957 -0.635 1.804) 11.122 13.031 ( 10.812 -0.501 2.705) 11.157 13.107 ( 2.818 -0.556 -2.138) 3.581 13.247 ( 22.117 5.725 5.447) 23.486 13.330 ( 22.344 0.795 -3.397) 22.615 13.813 ( 5.369 -6.548 2.453) 8.816 14.035 ( -3.965 -2.436 -6.832) 8.266 14.196 ( 2.341 -1.083 -3.328) 4.211 14.402 ( 11.865 -4.580 1.704) 12.832 14.516 ( 7.736 3.026 6.394) 10.483 14.698 ( 1.504 -0.581 8.486) 8.638 15.488 ( -5.690 3.751 0.561) 6.838 15.900 ( -7.016 -8.258 2.372) 11.092 16.970 ( -13.537 11.233 -6.816) 18.865 17.684 ( -10.264 -7.724 -5.903) 14.137 18.155 ( 2.243 7.591 -6.078) 9.979 18.459 ( -5.046 1.459 2.360) 5.758 19.171 ( -8.807 3.275 -11.978) 15.224 19.431 ( -21.730 -1.860 14.677) 26.288 19.648 ( 1.106 1.317 14.617) 14.718 20.016 ( 17.101 -8.143 -10.277) 21.549 21.175 ( 0.957 6.925 1.533) 7.157 21.553 ( 2.020 -1.459 -4.593) 5.225 21.819 ( 5.064 0.443 1.041) 5.189 21.913 ( 1.625 -1.954 -1.094) 2.767 22.202 ( -2.376 -0.305 -0.438) 2.435 22.272 ( 4.536 -1.864 -5.235) 7.173 22.517 ( -5.866 1.564 7.150) 9.380 22.595 ( -0.552 4.981 -4.225) 6.555 22.795 ( 0.767 -4.988 -2.072) 5.455 23.025 ( 0.313 -3.681 -2.942) 4.722 28.436 ( 5.736 0.271 1.047) 5.837 28.465 ( 6.287 -0.224 2.061) 6.620 28.748 ( 8.314 1.959 0.382) 8.551 29.047 ( 8.746 -6.647 7.604) 13.360 29.682 ( -1.610 -0.284 -8.111) 8.274 29.793 ( -2.413 1.277 0.638) 2.803 30.197 ( -3.128 -1.138 1.700) 3.738 30.511 ( -4.138 3.745 4.728) 7.315 30.637 ( -0.652 -0.650 -0.140) 0.931 30.807 ( -2.168 1.662 4.672) 5.412 30.935 ( -5.301 -8.911 -0.993) 10.415 31.115 ( 5.856 -10.614 7.955) 14.499 31.172 ( -2.424 4.104 -5.707) 7.436 31.403 ( 1.804 -4.263 0.530) 4.659 31.637 ( 8.018 9.177 -1.693) 12.303 31.818 ( -1.717 2.134 -2.912) 3.997 31.993 ( -1.603 -1.785 -2.891) 3.757 32.054 ( 0.123 1.199 4.491) 4.650 32.610 ( -1.250 8.398 -6.468) 10.673 32.705 ( -6.037 7.756 6.825) 11.966 32.826 ( -3.889 3.285 2.796) 5.808 32.974 ( 1.266 -5.770 2.266) 6.327 33.117 ( 4.063 -2.378 -4.809) 6.730 33.253 ( 6.591 6.042 3.560) 9.624 33.456 ( -9.125 -3.816 -5.924) 11.530 33.711 ( -1.019 2.896 -2.707) 4.093 34.108 ( -7.557 -3.705 6.866) 10.862 34.212 ( 6.009 -2.980 -9.796) 11.873 ======================= Grid point 139 (72/78) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -1.196 2.953 0.125) 3.188 1.726 ( 12.386 3.319 -4.867) 13.715 1.860 ( 1.556 1.945 -1.364) 2.840 2.130 ( -3.417 -9.863 0.542) 10.452 2.230 ( 7.242 5.737 -2.099) 9.474 2.371 ( -1.332 7.906 -7.465) 10.955 2.458 ( -4.001 5.804 -6.188) 9.380 2.503 ( -1.613 4.968 3.651) 6.373 2.598 ( -0.595 -1.487 -5.447) 5.677 2.774 ( -8.445 9.917 -3.055) 13.379 2.829 ( -1.872 -1.754 2.031) 3.272 3.013 ( -5.388 -2.302 -3.402) 6.775 3.094 ( 2.484 -2.403 0.385) 3.477 3.198 ( 6.576 -1.315 3.206) 7.433 3.299 ( 0.639 -2.479 2.896) 3.865 3.340 ( 10.322 -7.120 1.300) 12.606 3.376 ( 0.357 0.240 -1.592) 1.649 3.501 ( -5.635 0.592 8.890) 10.542 3.582 ( 12.773 -3.292 1.610) 13.289 3.633 ( 9.530 8.973 -5.511) 14.202 3.794 ( 6.477 -10.055 -5.008) 12.967 3.853 ( 10.126 -3.712 10.025) 14.724 3.941 ( -7.678 -1.028 0.085) 7.747 4.039 ( -6.520 -7.279 -4.909) 10.935 4.184 ( -1.904 0.357 6.878) 7.145 4.377 ( 3.255 0.241 0.041) 3.264 4.430 ( -0.288 -4.820 1.716) 5.124 4.441 ( 8.322 -7.471 -4.472) 12.044 4.557 ( 11.759 -4.987 -3.756) 13.314 4.726 ( -0.814 3.128 -5.870) 6.701 4.907 ( -0.060 8.683 3.256) 9.274 4.925 ( 9.370 5.330 -2.172) 10.996 5.049 ( -8.040 -4.879 1.567) 9.535 5.093 ( -0.989 -0.784 5.073) 5.228 5.318 ( 9.150 2.250 11.868) 15.154 5.391 ( 8.936 -8.109 3.162) 12.474 5.563 ( 7.525 6.824 -1.716) 10.302 5.780 ( -0.396 7.387 1.502) 7.549 5.942 ( 2.841 6.148 3.169) 7.478 6.066 ( -5.117 2.813 -3.704) 6.915 6.188 ( -5.483 3.063 1.297) 6.413 6.285 ( -0.602 5.375 3.060) 6.215 6.358 ( -0.819 6.026 0.467) 6.099 6.467 ( 11.398 -7.771 -4.470) 14.501 6.680 ( 1.053 2.026 -5.090) 5.579 6.768 ( 0.681 4.014 1.649) 4.393 6.778 ( 11.830 -7.274 4.366) 14.558 6.946 ( -1.906 1.547 -0.376) 2.483 7.080 ( 8.790 -1.977 0.974) 9.063 7.144 ( -0.610 -3.495 2.174) 4.161 7.212 ( 8.911 4.797 -6.102) 11.818 7.432 ( -9.014 -3.786 -0.439) 9.787 7.481 ( -16.699 0.679 -2.027) 16.835 7.700 ( -1.164 -5.016 -1.179) 5.283 7.767 ( -13.054 -5.323 -5.149) 15.008 7.987 ( -20.728 -5.795 4.894) 22.072 8.066 ( -1.454 -7.460 -0.230) 7.604 8.270 ( -6.056 -6.725 -4.524) 10.118 8.513 ( 4.033 -8.515 10.701) 14.258 8.603 ( 5.338 1.005 11.420) 12.646 8.816 ( -1.029 -0.870 -7.418) 7.539 8.987 ( 0.045 -6.050 -8.643) 10.550 9.208 ( -6.009 0.422 0.935) 6.096 9.229 ( -4.015 -5.216 -1.690) 6.796 9.491 ( -5.969 10.774 3.233) 12.734 9.499 ( 1.632 5.760 -6.563) 8.884 9.635 ( 2.860 8.737 -0.921) 9.239 9.830 ( -4.850 8.059 -2.907) 9.845 10.412 ( 6.601 3.457 3.346) 8.168 10.534 ( -1.213 3.681 1.443) 4.135 10.839 ( 2.089 2.382 0.358) 3.188 10.891 ( 0.788 2.006 2.943) 3.647 11.151 ( -1.643 -3.354 4.276) 5.678 11.218 ( -3.413 -2.058 -0.503) 4.017 11.266 ( 4.577 0.117 -3.725) 5.902 11.488 ( -5.853 -2.196 0.524) 6.273 11.582 ( -1.547 -1.035 2.256) 2.925 11.820 ( -6.201 -2.758 -0.141) 6.788 11.882 ( -5.684 2.839 6.340) 8.975 11.903 ( -0.471 -0.660 0.908) 1.217 11.976 ( -1.861 1.796 3.805) 4.601 12.192 ( 1.201 -1.539 -7.260) 7.518 12.301 ( -0.295 3.640 -3.544) 5.089 12.353 ( -6.734 0.898 1.354) 6.928 12.821 ( 13.687 3.849 -5.667) 15.306 12.996 ( -0.523 -0.017 4.721) 4.750 13.120 ( 7.330 -2.715 -7.542) 10.862 13.152 ( 0.877 -3.275 2.613) 4.281 13.642 ( 18.599 1.647 -6.485) 19.766 13.723 ( 14.619 3.844 7.046) 16.678 13.907 ( -1.344 0.430 -3.161) 3.462 13.976 ( 3.579 -8.330 5.819) 10.773 14.219 ( 5.350 1.907 5.723) 8.063 14.578 ( 5.185 -8.067 1.028) 9.645 14.716 ( 6.989 1.320 4.048) 8.184 14.803 ( 0.737 0.668 6.143) 6.223 15.435 ( -1.729 3.730 2.069) 4.602 15.709 ( -12.003 -2.597 -4.827) 13.195 16.819 ( -0.051 6.594 1.775) 6.829 17.351 ( -16.344 -4.708 -10.657) 20.072 18.191 ( 8.043 2.430 -5.091) 9.824 18.388 ( -5.928 0.688 2.253) 6.378 18.945 ( -3.578 1.027 -8.449) 9.233 19.131 ( -20.552 -3.164 6.201) 21.699 19.906 ( 4.513 2.405 18.233) 18.937 20.155 ( 10.571 -3.999 -11.426) 16.071 21.197 ( -2.498 4.362 7.640) 9.145 21.421 ( -3.418 -1.349 -10.857) 11.462 21.934 ( 3.325 -1.509 -1.319) 3.883 21.988 ( 5.546 -0.910 2.752) 6.258 22.167 ( -1.307 3.886 1.800) 4.477 22.288 ( 3.350 -0.022 -6.832) 7.609 22.500 ( -2.489 0.802 4.914) 5.566 22.560 ( -0.366 2.610 -2.235) 3.456 22.808 ( 2.475 -4.101 -0.217) 4.795 22.968 ( -2.367 -4.234 -4.130) 6.371 28.548 ( 5.365 0.594 1.039) 5.497 28.583 ( 4.057 0.084 1.913) 4.486 28.891 ( 6.920 0.659 1.678) 7.150 29.131 ( -3.301 -6.291 1.249) 7.213 29.603 ( 2.992 2.734 -7.289) 8.340 29.735 ( -6.486 5.820 2.435) 9.048 30.255 ( 2.999 -8.272 6.495) 10.937 30.478 ( -3.552 -1.941 -0.850) 4.136 30.643 ( 1.054 2.217 4.075) 4.757 30.817 ( -2.392 -0.805 1.465) 2.918 30.870 ( -1.408 -2.618 2.645) 3.979 31.046 ( -3.197 4.814 -8.085) 9.938 31.245 ( 1.821 -12.040 5.269) 13.268 31.415 ( -0.150 -8.463 -2.370) 8.790 31.745 ( 0.280 3.138 5.000) 5.910 31.863 ( 11.230 5.075 -1.742) 12.446 31.938 ( -1.492 -0.167 -0.796) 1.699 32.113 ( 0.707 1.293 3.864) 4.135 32.500 ( -2.602 12.123 -7.294) 14.386 32.579 ( -11.694 14.675 -0.017) 18.764 32.831 ( 1.942 -3.297 4.258) 5.724 33.041 ( 1.875 -6.287 3.759) 7.562 33.084 ( -1.924 -1.229 -5.068) 5.558 33.244 ( -4.340 -1.629 -6.930) 8.337 33.451 ( 7.073 2.859 5.092) 9.172 33.693 ( 0.047 8.435 -3.058) 8.972 34.070 ( -5.058 -6.755 9.730) 12.880 34.194 ( 3.909 -4.772 -10.923) 12.544 ======================= Grid point 140 (73/78) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -4.169 1.818 -5.466) 7.111 1.700 ( 4.169 1.818 5.466) 7.111 2.026 ( -9.434 1.334 -7.211) 11.949 2.026 ( 9.434 1.334 7.211) 11.949 2.251 ( -2.203 5.961 0.012) 6.355 2.251 ( 2.203 5.961 -0.012) 6.355 2.458 ( -0.416 6.082 -1.417) 6.259 2.458 ( 0.416 6.082 1.417) 6.259 2.621 ( 1.447 4.553 -5.892) 7.586 2.621 ( -1.447 4.553 5.892) 7.586 2.879 ( -4.623 -3.447 -4.351) 7.224 2.879 ( 4.623 -3.447 4.351) 7.224 3.210 ( -6.560 -0.639 -4.407) 7.928 3.210 ( 6.560 -0.639 4.407) 7.928 3.319 ( -4.610 -0.489 -2.678) 5.354 3.319 ( 4.610 -0.489 2.678) 5.354 3.440 ( 6.742 0.541 -13.851) 15.414 3.440 ( -6.742 0.541 13.851) 15.414 3.745 ( -0.687 -8.307 -8.464) 11.879 3.745 ( 0.687 -8.307 8.464) 11.879 3.789 ( -3.751 -2.605 -10.060) 11.048 3.789 ( 3.751 -2.605 10.060) 11.048 3.991 ( 7.721 -0.248 -11.816) 14.117 3.991 ( -7.721 -0.248 11.816) 14.117 4.364 ( -7.414 -9.077 -1.824) 11.861 4.364 ( 7.414 -9.077 1.824) 11.861 4.492 ( -0.175 -14.371 -11.005) 18.102 4.492 ( 0.175 -14.371 11.005) 18.102 4.709 ( -10.960 3.474 -6.309) 13.114 4.709 ( 10.960 3.474 6.309) 13.114 4.839 ( -4.792 7.703 -9.615) 13.219 4.839 ( 4.792 7.703 9.615) 13.219 5.055 ( -9.042 2.024 -2.295) 9.546 5.055 ( 9.042 2.024 2.295) 9.546 5.490 ( -1.477 3.498 -9.382) 10.121 5.490 ( 1.477 3.498 9.382) 10.121 5.797 ( -10.116 6.811 -4.946) 13.160 5.797 ( 10.116 6.811 4.946) 13.160 5.907 ( 1.516 0.464 -9.166) 9.302 5.907 ( -1.516 0.464 9.166) 9.302 6.209 ( -1.571 2.120 -3.485) 4.371 6.209 ( 1.571 2.120 3.485) 4.371 6.494 ( -10.583 2.440 -5.158) 12.023 6.494 ( 10.583 2.440 5.158) 12.023 6.798 ( -10.139 -1.962 0.766) 10.356 6.798 ( 10.139 -1.962 -0.766) 10.356 6.927 ( -17.584 0.390 -3.336) 17.902 6.927 ( 17.584 0.390 3.336) 17.902 7.062 ( -11.463 6.540 -6.862) 14.875 7.062 ( 11.463 6.540 6.862) 14.875 7.289 ( -7.631 -1.139 -1.094) 7.793 7.289 ( 7.631 -1.139 1.094) 7.793 7.484 ( -14.838 -1.862 -3.303) 15.314 7.484 ( 14.838 -1.862 3.303) 15.314 7.709 ( 3.362 -10.673 -5.948) 12.672 7.709 ( -3.362 -10.673 5.948) 12.672 8.136 ( -4.160 -9.235 -4.733) 11.180 8.136 ( 4.160 -9.235 4.733) 11.180 8.686 ( -2.355 -0.236 -10.044) 10.319 8.686 ( 2.355 -0.236 10.044) 10.319 8.847 ( -3.871 -4.142 -13.025) 14.206 8.847 ( 3.871 -4.142 13.025) 14.206 9.163 ( -0.026 -4.767 -2.266) 5.279 9.163 ( 0.026 -4.767 2.266) 5.279 9.467 ( 4.867 8.000 -10.286) 13.910 9.467 ( -4.867 8.000 10.286) 13.910 9.724 ( -4.593 9.202 -2.771) 10.651 9.724 ( 4.593 9.202 2.771) 10.651 10.506 ( -2.098 4.566 -1.524) 5.251 10.506 ( 2.098 4.566 1.524) 5.251 10.893 ( 2.194 2.398 -2.602) 4.163 10.893 ( -2.194 2.398 2.602) 4.163 11.170 ( -1.622 -5.333 -1.715) 5.832 11.170 ( 1.622 -5.333 1.715) 5.832 11.363 ( -4.798 0.487 -3.636) 6.040 11.363 ( 4.798 0.487 3.636) 6.040 11.653 ( -6.186 -2.594 -4.001) 7.811 11.653 ( 6.186 -2.594 4.001) 7.811 11.906 ( 4.083 0.377 -5.997) 7.265 11.906 ( -4.083 0.377 5.997) 7.265 12.076 ( 1.637 1.334 -16.803) 16.935 12.076 ( -1.637 1.334 16.803) 16.935 12.280 ( 5.118 4.352 -7.759) 10.263 12.280 ( -5.118 4.352 7.759) 10.263 12.959 ( 8.466 2.155 -5.433) 10.288 12.959 ( -8.466 2.155 5.433) 10.288 13.163 ( 4.984 -3.512 -6.499) 8.911 13.163 ( -4.984 -3.512 6.499) 8.911 13.800 ( 7.870 1.631 -6.938) 10.617 13.800 ( -7.870 1.631 6.938) 10.617 13.960 ( -3.463 -1.440 -2.964) 4.781 13.960 ( 3.463 -1.440 2.964) 4.781 14.512 ( -8.158 -7.370 -10.325) 15.083 14.512 ( 8.158 -7.370 10.325) 15.083 14.817 ( -1.755 1.602 0.057) 2.377 14.817 ( 1.755 1.602 -0.057) 2.377 15.492 ( -5.324 3.170 -4.626) 7.732 15.492 ( 5.324 3.170 4.626) 7.732 16.988 ( -11.597 0.113 -9.675) 15.103 16.988 ( 11.597 0.113 9.675) 15.103 18.296 ( 5.399 0.672 -3.270) 6.347 18.296 ( -5.399 0.672 3.270) 6.347 18.919 ( 8.621 -1.681 -6.479) 10.914 18.919 ( -8.621 -1.681 6.479) 10.914 20.118 ( 1.261 0.755 -15.970) 16.037 20.118 ( -1.261 0.755 15.970) 16.037 21.272 ( 0.480 -0.751 -12.238) 12.270 21.272 ( -0.480 -0.751 12.238) 12.270 21.993 ( -1.132 1.456 -2.400) 3.027 21.993 ( 1.132 1.456 2.400) 3.027 22.234 ( -0.672 1.398 -7.508) 7.666 22.234 ( 0.672 1.398 7.508) 7.666 22.527 ( 4.298 0.937 -8.921) 9.946 22.527 ( -4.298 0.937 8.921) 9.946 22.877 ( -3.350 -4.148 -3.123) 6.179 22.877 ( 3.350 -4.148 3.123) 6.179 28.617 ( -1.495 0.645 0.224) 1.644 28.617 ( 1.495 0.645 -0.224) 1.644 29.026 ( -6.146 -3.081 -2.559) 7.336 29.026 ( 6.146 -3.081 2.559) 7.336 29.642 ( 5.632 5.838 -6.466) 10.374 29.642 ( -5.632 5.838 6.466) 10.374 30.376 ( -1.235 -6.977 -7.807) 10.543 30.376 ( 1.235 -6.977 7.807) 10.543 30.742 ( -3.449 -0.437 -4.470) 5.663 30.742 ( 3.449 -0.437 4.470) 5.663 30.926 ( -0.904 3.003 -7.359) 7.999 30.926 ( 0.904 3.003 7.359) 7.999 31.336 ( -3.004 -9.808 -4.904) 11.369 31.336 ( 3.004 -9.808 4.904) 11.369 31.838 ( -1.447 -2.280 -7.300) 7.783 31.838 ( 1.447 -2.280 7.300) 7.783 32.085 ( -4.242 4.261 -3.910) 7.172 32.085 ( 4.242 4.261 3.910) 7.172 32.432 ( 3.511 15.158 -3.393) 15.925 32.432 ( -3.511 15.158 3.393) 15.925 32.951 ( -4.392 -2.172 -6.900) 8.463 32.951 ( 4.392 -2.172 6.900) 8.463 33.128 ( -2.005 -5.842 -5.750) 8.439 33.128 ( 2.005 -5.842 5.750) 8.439 33.610 ( -4.712 7.763 -4.684) 10.218 33.610 ( 4.712 7.763 4.684) 10.218 34.128 ( 2.275 -6.140 -11.712) 13.418 34.128 ( -2.275 -6.140 11.712) 13.418 ======================= Grid point 145 (74/78) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -3.206 1.901 -4.940) 6.188 1.820 ( 3.206 1.901 4.940) 6.188 1.911 ( 9.072 -1.456 -4.311) 10.149 1.911 ( -9.072 -1.456 4.311) 10.149 2.168 ( -9.682 13.319 -18.197) 24.541 2.168 ( 9.682 13.319 18.197) 24.541 2.417 ( -6.907 -9.283 -15.689) 19.494 2.417 ( 6.907 -9.283 15.689) 19.494 2.662 ( -3.607 0.059 -2.316) 4.287 2.662 ( 3.607 0.059 2.316) 4.287 2.676 ( -1.021 -1.878 -1.333) 2.519 2.676 ( 1.021 -1.878 1.333) 2.519 3.008 ( -1.338 2.563 -4.019) 4.951 3.008 ( 1.338 2.563 4.019) 4.951 3.054 ( 1.117 -1.150 -6.051) 6.260 3.054 ( -1.117 -1.150 6.051) 6.260 3.220 ( -1.637 -3.010 -1.124) 3.605 3.220 ( 1.637 -3.010 1.124) 3.605 3.442 ( 4.619 1.408 -7.262) 8.721 3.442 ( -4.619 1.408 7.262) 8.721 3.499 ( 6.299 -0.179 -6.153) 8.807 3.499 ( -6.299 -0.179 6.153) 8.807 3.753 ( 3.261 3.081 -4.294) 6.210 3.753 ( -3.261 3.081 4.294) 6.210 3.953 ( 3.308 -4.942 -5.908) 8.383 3.953 ( -3.308 -4.942 5.908) 8.383 4.473 ( -6.946 2.346 -3.285) 8.034 4.473 ( 6.946 2.346 3.285) 8.034 4.693 ( -7.697 -2.218 -0.039) 8.010 4.693 ( 7.697 -2.218 0.039) 8.010 4.938 ( -3.095 1.493 -3.376) 4.817 4.938 ( 3.095 1.493 3.376) 4.817 5.286 ( 0.445 1.320 -3.669) 3.924 5.286 ( -0.445 1.320 3.669) 3.924 5.434 ( -1.150 1.778 -1.049) 2.363 5.434 ( 1.150 1.778 1.049) 2.363 5.847 ( -1.614 -0.409 -1.368) 2.155 5.847 ( 1.614 -0.409 1.368) 2.155 5.964 ( 3.372 3.139 -7.866) 9.116 5.964 ( -3.372 3.139 7.866) 9.116 6.208 ( -8.182 -2.539 -5.882) 10.392 6.208 ( 8.182 -2.539 5.882) 10.392 6.362 ( -0.819 1.842 -2.395) 3.131 6.362 ( 0.819 1.842 2.395) 3.131 6.440 ( -4.117 8.582 -4.303) 10.446 6.440 ( 4.117 8.582 4.303) 10.446 6.706 ( -7.901 -4.911 -2.573) 9.652 6.706 ( 7.901 -4.911 2.573) 9.652 6.968 ( -2.644 3.452 -3.596) 5.642 6.968 ( 2.644 3.452 3.596) 5.642 7.122 ( -2.788 -10.337 -0.801) 10.736 7.122 ( 2.788 -10.337 0.801) 10.736 7.547 ( -3.819 1.533 -3.165) 5.191 7.547 ( 3.819 1.533 3.165) 5.191 7.664 ( -7.079 -11.025 -2.884) 13.416 7.664 ( 7.079 -11.025 2.884) 13.416 8.528 ( 0.059 -0.709 -0.983) 1.213 8.528 ( -0.059 -0.709 0.983) 1.213 8.678 ( 3.353 -0.153 -2.006) 3.910 8.678 ( -3.353 -0.153 2.006) 3.910 9.156 ( 1.667 2.594 -9.470) 9.959 9.156 ( -1.667 2.594 9.470) 9.959 9.240 ( 1.628 -5.070 -8.957) 10.420 9.240 ( -1.628 -5.070 8.957) 10.420 9.902 ( -6.508 9.111 -2.166) 11.404 9.902 ( 6.508 9.111 2.166) 11.404 10.064 ( -7.231 -1.180 -0.010) 7.326 10.064 ( 7.231 -1.180 0.010) 7.326 10.426 ( 1.922 3.136 -2.844) 4.650 10.426 ( -1.922 3.136 2.844) 4.650 10.865 ( -4.908 1.630 0.503) 5.196 10.865 ( 4.908 1.630 -0.503) 5.196 11.334 ( -0.232 -0.339 -3.196) 3.223 11.334 ( 0.232 -0.339 3.196) 3.223 11.504 ( 2.795 -1.861 -4.040) 5.253 11.504 ( -2.795 -1.861 4.040) 5.253 11.698 ( 1.544 2.219 -3.671) 4.559 11.698 ( -1.544 2.219 3.671) 4.559 11.955 ( -1.622 -1.190 -5.472) 5.830 11.955 ( 1.622 -1.190 5.472) 5.830 12.201 ( -8.108 1.037 -1.928) 8.398 12.201 ( 8.108 1.037 1.928) 8.398 12.348 ( -8.027 -1.081 -0.053) 8.100 12.348 ( 8.027 -1.081 0.053) 8.100 12.590 ( -1.092 1.174 -1.513) 2.205 12.590 ( 1.092 1.174 1.513) 2.205 12.733 ( -1.770 -2.069 -1.975) 3.363 12.733 ( 1.770 -2.069 1.975) 3.363 13.048 ( -1.025 2.763 -2.241) 3.702 13.048 ( 1.025 2.763 2.241) 3.702 13.688 ( -3.697 -6.227 -3.447) 8.020 13.688 ( 3.697 -6.227 3.447) 8.020 14.068 ( 1.044 -1.454 -1.675) 2.451 14.068 ( -1.044 -1.454 1.675) 2.451 14.548 ( -0.165 0.812 -2.063) 2.224 14.548 ( 0.165 0.812 2.063) 2.224 15.759 ( -2.123 -0.589 -1.736) 2.805 15.759 ( 2.123 -0.589 1.736) 2.805 17.679 ( -3.336 -0.331 -1.524) 3.682 17.679 ( 3.336 -0.331 1.524) 3.682 18.586 ( -1.551 9.923 -4.792) 11.128 18.586 ( 1.551 9.923 4.792) 11.128 19.276 ( 0.338 -7.163 -5.339) 8.940 19.276 ( -0.338 -7.163 5.339) 8.940 19.886 ( -2.239 1.484 -1.333) 2.999 19.886 ( 2.239 1.484 1.333) 2.999 21.133 ( -1.920 -0.001 -2.738) 3.344 21.133 ( 1.920 -0.001 2.738) 3.344 21.987 ( 0.283 3.045 -1.181) 3.278 21.987 ( -0.283 3.045 1.181) 3.278 22.197 ( 0.980 -3.174 -2.230) 4.001 22.197 ( -0.980 -3.174 2.230) 4.001 22.665 ( -2.910 1.750 -0.537) 3.438 22.665 ( 2.910 1.750 0.537) 3.438 22.841 ( -4.752 -2.697 -1.630) 5.702 22.841 ( 4.752 -2.697 1.630) 5.702 28.317 ( -0.004 -0.106 -0.089) 0.138 28.317 ( 0.004 -0.106 0.089) 0.138 28.573 ( -0.952 0.051 -0.338) 1.012 28.573 ( 0.952 0.051 0.338) 1.012 29.875 ( 1.107 1.382 -4.356) 4.702 29.875 ( -1.107 1.382 4.356) 4.702 30.437 ( -2.628 -2.775 -4.704) 6.061 30.437 ( 2.628 -2.775 4.704) 6.061 30.621 ( -0.081 -0.420 -0.090) 0.437 30.621 ( 0.081 -0.420 0.090) 0.437 31.093 ( -7.903 3.002 -0.394) 8.463 31.093 ( 7.903 3.002 0.394) 8.463 31.183 ( -6.242 -2.199 -1.479) 6.781 31.183 ( 6.242 -2.199 1.479) 6.781 31.737 ( -1.478 -0.426 0.208) 1.552 31.737 ( 1.478 -0.426 -0.208) 1.552 32.099 ( 1.244 1.379 -2.226) 2.899 32.099 ( -1.244 1.379 2.226) 2.899 32.794 ( 1.965 2.249 -7.327) 7.912 32.794 ( -1.965 2.249 7.327) 7.912 32.856 ( -1.219 0.494 -2.611) 2.924 32.856 ( 1.219 0.494 2.611) 2.924 33.037 ( -1.433 -1.579 -2.233) 3.087 33.037 ( 1.433 -1.579 2.233) 3.087 33.810 ( 0.637 -1.206 -1.457) 1.995 33.810 ( -0.637 -1.206 1.457) 1.995 34.167 ( 1.836 0.665 -3.104) 3.667 34.167 ( -1.836 0.665 3.104) 3.667 ======================= Grid point 147 (75/78) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 5.493 11.291 -14.212) 18.964 1.785 ( 7.279 6.503 -14.875) 17.792 1.873 ( 2.832 -1.931 -2.984) 4.545 2.009 ( -0.057 -2.106 0.440) 2.153 2.113 ( 8.103 -2.693 -0.201) 8.541 2.187 ( 4.673 -12.239 -7.671) 15.182 2.407 ( 1.462 7.635 0.881) 7.823 2.502 ( -3.718 -2.120 3.034) 5.247 2.676 ( 4.279 0.213 0.763) 4.352 2.684 ( 3.075 -1.192 5.127) 6.096 2.806 ( 8.153 0.874 -2.083) 8.460 2.841 ( 6.479 -0.964 0.827) 6.602 3.010 ( 0.168 2.951 -2.364) 3.785 3.111 ( 1.208 -1.446 4.310) 4.704 3.131 ( 4.684 1.456 5.985) 7.738 3.176 ( 2.190 -1.396 -0.524) 2.649 3.190 ( 8.511 -1.876 -1.062) 8.780 3.275 ( 4.899 -5.002 3.700) 7.919 3.416 ( -4.080 1.129 5.658) 7.067 3.444 ( -3.875 -0.301 6.399) 7.487 3.559 ( 11.050 8.871 2.603) 14.407 3.655 ( 10.693 -2.454 4.263) 11.770 3.788 ( 1.842 5.470 -2.669) 6.360 3.843 ( 11.987 2.974 6.805) 14.101 3.978 ( 5.762 -3.970 -5.185) 8.709 4.020 ( 3.526 -6.797 9.172) 11.948 4.325 ( -3.384 4.613 6.611) 8.743 4.447 ( -5.058 -7.295 4.132) 9.792 4.687 ( -4.769 4.781 4.251) 7.980 4.743 ( -5.442 0.717 -5.199) 7.561 4.793 ( -0.840 2.944 -10.209) 10.658 4.919 ( 1.530 -6.327 -8.887) 11.016 5.153 ( -6.757 4.617 -9.726) 12.711 5.268 ( 0.337 -6.420 -9.153) 11.185 5.375 ( -10.365 -0.534 -2.930) 10.785 5.384 ( -7.955 -2.095 -4.145) 9.212 5.702 ( -5.478 10.464 3.905) 12.440 5.799 ( 5.250 0.899 1.702) 5.592 6.026 ( 2.435 5.617 1.618) 6.333 6.082 ( -2.931 -3.236 5.474) 7.002 6.114 ( 0.531 11.652 2.359) 11.900 6.238 ( -4.321 3.779 -3.043) 6.497 6.368 ( -2.094 -9.132 -2.464) 9.688 6.432 ( 6.865 4.191 3.961) 8.966 6.461 ( -6.230 -9.113 5.842) 12.489 6.549 ( 10.276 1.230 1.767) 10.499 6.619 ( 7.254 5.401 8.616) 12.491 6.836 ( 7.364 -2.809 0.937) 7.937 6.961 ( -1.827 0.112 -2.247) 2.899 7.069 ( 2.125 -6.070 -1.214) 6.545 7.147 ( 7.241 3.333 1.929) 8.201 7.286 ( 4.544 -6.196 0.025) 7.684 7.486 ( 4.313 -1.747 3.949) 6.103 7.557 ( -3.034 -10.790 1.329) 11.287 7.648 ( 4.317 5.564 2.903) 7.617 7.825 ( 6.602 -12.340 4.282) 14.635 8.419 ( -8.631 1.857 -0.042) 8.829 8.475 ( -8.144 -4.201 -1.397) 9.270 8.608 ( -6.527 2.973 -1.223) 7.276 8.686 ( -2.174 -3.329 -1.600) 4.286 9.045 ( -0.739 0.579 -10.516) 10.557 9.073 ( -5.699 -2.324 -5.554) 8.290 9.231 ( 0.901 3.058 2.367) 3.971 9.333 ( 4.054 -5.901 -1.144) 7.250 9.757 ( -6.727 9.375 -2.335) 11.773 9.875 ( -8.942 -1.633 -2.015) 9.311 10.041 ( -0.019 9.230 0.858) 9.270 10.120 ( 1.729 2.880 -3.112) 4.579 10.305 ( -8.694 5.119 -1.891) 10.265 10.410 ( -1.543 -6.769 4.375) 8.206 10.822 ( -2.585 8.352 4.688) 9.921 10.944 ( 1.878 -3.576 0.202) 4.044 11.232 ( -9.855 7.909 10.928) 16.706 11.395 ( -5.700 -6.574 2.204) 8.976 11.427 ( -6.926 0.512 -0.079) 6.946 11.501 ( 0.966 -4.813 -8.049) 9.428 11.667 ( 0.923 2.225 -0.250) 2.422 11.715 ( 4.789 -1.954 -1.912) 5.514 11.917 ( -0.997 3.583 3.902) 5.391 12.014 ( -2.959 -5.616 2.884) 6.972 12.089 ( -2.776 6.761 1.474) 7.456 12.236 ( -2.153 -8.250 -2.589) 8.910 12.329 ( 2.418 3.501 -1.004) 4.371 12.391 ( -0.247 -2.500 -0.133) 2.515 12.582 ( 5.258 6.122 -4.337) 9.161 12.683 ( 10.239 -3.186 -3.319) 11.225 12.838 ( 13.431 5.822 1.299) 14.696 12.936 ( 16.912 -4.234 1.115) 17.470 13.051 ( 4.270 2.502 -0.264) 4.956 13.089 ( 2.922 -0.514 0.182) 2.973 13.693 ( 4.958 2.672 -0.229) 5.637 13.850 ( 7.209 -12.361 4.182) 14.908 14.110 ( 6.595 -0.193 -2.929) 7.218 14.127 ( 7.560 -1.922 -0.307) 7.806 14.528 ( -1.723 3.650 2.634) 4.820 14.582 ( -0.323 -1.976 5.130) 5.507 15.680 ( -5.210 4.373 -0.603) 6.828 15.780 ( -2.228 -6.190 2.250) 6.953 17.510 ( -12.018 8.694 -4.286) 15.440 17.665 ( -4.636 -7.780 -2.192) 9.319 18.446 ( -6.400 10.917 -3.221) 13.058 18.566 ( -6.929 -0.546 -0.161) 6.952 19.322 ( 7.805 5.106 4.605) 10.402 19.476 ( 6.756 -8.394 4.280) 11.594 19.712 ( -11.467 1.925 1.158) 11.685 19.771 ( -11.271 -3.698 -3.480) 12.362 21.207 ( 10.338 6.035 -1.439) 12.056 21.312 ( 12.800 -4.562 2.212) 13.767 21.921 ( -4.716 2.637 -3.283) 6.323 21.939 ( -4.418 0.863 -1.100) 4.634 22.190 ( 0.688 -1.895 -1.344) 2.423 22.199 ( 0.516 -2.886 -0.261) 2.943 22.596 ( -4.159 3.397 2.254) 5.824 22.684 ( -2.277 -6.063 -0.837) 6.530 22.789 ( 1.746 7.482 -2.659) 8.131 22.921 ( 3.277 -6.182 -1.246) 7.107 28.348 ( 3.492 0.125 0.574) 3.541 28.352 ( 3.756 -0.275 0.778) 3.846 28.644 ( 7.794 2.188 0.702) 8.126 28.694 ( 10.354 -3.005 2.513) 11.071 29.798 ( -1.329 1.768 -8.073) 8.370 29.834 ( -2.838 -1.613 -4.385) 5.466 30.375 ( -4.602 6.970 3.105) 8.910 30.522 ( -1.682 -5.624 5.994) 8.390 30.629 ( 0.322 0.032 0.928) 0.983 30.662 ( 2.704 -4.907 4.831) 7.398 30.936 ( -7.967 3.228 1.338) 8.700 31.007 ( -7.157 -4.211 -1.274) 8.401 31.254 ( 4.883 2.651 -1.101) 5.664 31.297 ( 4.915 -1.699 -0.505) 5.225 31.712 ( 2.212 4.447 -2.644) 5.627 31.788 ( 5.377 -3.434 -3.881) 7.468 32.066 ( -2.687 1.495 -1.153) 3.284 32.076 ( -3.284 0.712 1.657) 3.746 32.745 ( -1.078 0.881 -1.527) 2.067 32.762 ( -4.373 -0.445 1.989) 4.825 32.885 ( 2.205 5.278 4.383) 7.207 32.985 ( 7.787 -2.931 -1.750) 8.502 33.011 ( -0.175 4.721 0.588) 4.760 33.114 ( 3.715 -3.543 4.674) 6.943 33.696 ( -9.620 2.044 -1.356) 9.928 33.756 ( -5.204 -3.567 -1.547) 6.495 34.146 ( -2.333 1.082 0.137) 2.575 34.173 ( 1.190 -1.411 -3.363) 3.836 ======================= Grid point 148 (76/78) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 11.449 15.646 -9.616) 21.641 1.853 ( 3.965 5.391 -6.598) 9.398 1.931 ( -8.380 5.246 -0.868) 9.924 2.027 ( 11.006 -4.955 1.935) 12.224 2.095 ( -5.734 -7.150 -5.637) 10.760 2.222 ( 9.533 -20.163 1.290) 22.340 2.445 ( 8.429 8.500 -6.835) 13.785 2.540 ( 4.127 -0.550 1.987) 4.613 2.744 ( 3.011 7.275 -0.594) 7.896 2.844 ( -0.791 5.393 -1.284) 5.600 2.861 ( 7.773 -4.751 5.175) 10.478 2.954 ( 2.417 -3.651 0.335) 4.391 3.022 ( 4.685 -2.608 -2.136) 5.772 3.097 ( -2.453 -4.590 -1.305) 5.365 3.237 ( -2.238 0.616 1.143) 2.587 3.259 ( 8.128 -4.222 -1.768) 9.329 3.283 ( 5.130 5.753 5.115) 9.251 3.379 ( 5.086 -2.755 5.451) 7.948 3.437 ( 6.345 2.886 0.051) 6.971 3.541 ( 3.453 -6.977 6.511) 10.149 3.685 ( 2.394 7.379 -2.581) 8.175 3.697 ( -1.040 6.220 -0.165) 6.309 3.894 ( 2.916 0.663 8.016) 8.556 4.000 ( 1.967 -9.165 -4.806) 10.534 4.199 ( 6.903 0.794 -0.354) 6.958 4.229 ( 12.143 -1.801 0.625) 12.292 4.434 ( -4.095 5.901 0.067) 7.183 4.509 ( -3.439 -0.530 -4.993) 6.086 4.575 ( 1.691 6.242 -0.334) 6.475 4.702 ( 8.946 -0.666 13.290) 16.034 4.815 ( 7.041 -0.214 10.525) 12.665 4.857 ( 4.308 -3.393 -7.090) 8.963 4.922 ( -7.609 0.075 -2.437) 7.990 5.039 ( -2.828 -7.607 -4.354) 9.209 5.183 ( -4.879 0.681 -8.001) 9.396 5.234 ( -1.549 -4.615 -7.591) 9.018 5.686 ( -3.862 14.597 6.435) 16.413 5.864 ( -1.979 -0.431 2.060) 2.889 6.093 ( 7.067 6.777 -0.318) 9.797 6.124 ( 2.758 8.403 -1.551) 8.979 6.178 ( 5.490 -3.276 3.474) 7.276 6.238 ( -3.687 -8.856 -3.693) 10.279 6.320 ( 5.515 -0.152 4.427) 7.074 6.451 ( -3.428 -2.398 5.231) 6.698 6.600 ( 7.037 3.783 4.582) 9.210 6.650 ( -2.950 -2.950 -2.995) 5.136 6.811 ( -2.134 1.032 -4.160) 4.788 6.864 ( 5.730 -1.924 7.664) 9.761 6.972 ( 5.458 4.711 -0.285) 7.215 7.071 ( -0.301 -5.936 -2.874) 6.602 7.213 ( 3.042 3.775 -2.399) 5.409 7.353 ( 6.623 -8.144 3.370) 11.024 7.540 ( -1.786 3.117 4.532) 5.784 7.681 ( -1.817 -1.599 3.814) 4.517 7.791 ( 7.666 -3.846 5.838) 10.375 7.952 ( 1.087 -10.739 3.969) 11.501 8.242 ( -16.347 -0.376 -1.675) 16.437 8.283 ( -8.041 -3.170 3.386) 9.283 8.404 ( -9.496 4.361 -5.454) 11.787 8.538 ( -8.662 -7.086 -4.445) 12.041 8.932 ( -2.082 1.264 -6.191) 6.653 8.965 ( -1.042 -2.735 -5.476) 6.209 9.249 ( 0.135 3.438 -1.803) 3.885 9.335 ( -1.724 -3.862 -3.590) 5.548 9.645 ( -2.535 6.712 -3.054) 7.798 9.718 ( -6.292 0.216 -0.775) 6.343 9.904 ( -7.952 10.173 -3.460) 13.368 10.023 ( -7.599 -2.083 -3.528) 8.633 10.328 ( 6.662 8.290 5.174) 11.827 10.477 ( 2.765 -6.690 4.595) 8.574 10.860 ( -0.048 6.044 6.158) 8.628 10.925 ( -3.193 0.623 1.064) 3.423 11.176 ( -8.395 1.503 7.347) 11.257 11.233 ( -8.310 -4.377 -2.367) 9.685 11.347 ( -0.360 5.094 -2.484) 5.678 11.474 ( 0.464 -5.952 0.025) 5.970 11.643 ( -4.359 4.111 1.345) 6.141 11.755 ( 0.096 -7.306 -4.009) 8.334 11.972 ( 0.880 3.246 -2.490) 4.184 11.980 ( 0.814 2.297 2.001) 3.153 12.025 ( -6.790 1.382 4.009) 8.006 12.133 ( -3.759 -7.763 -1.851) 8.821 12.374 ( -0.802 2.364 3.468) 4.273 12.402 ( -4.026 -1.166 5.727) 7.097 12.710 ( 15.857 6.145 -6.978) 18.382 12.820 ( 12.714 -4.445 -5.802) 14.665 13.049 ( 3.914 2.233 1.299) 4.690 13.089 ( 1.576 -1.553 -0.524) 2.274 13.318 ( 23.852 1.796 2.199) 24.021 13.337 ( 23.436 -0.400 2.665) 23.590 13.791 ( 4.339 5.003 1.986) 6.914 13.936 ( -0.296 -8.101 1.610) 8.265 14.205 ( 7.314 2.953 -5.082) 9.383 14.296 ( 10.222 -6.031 -1.132) 11.922 14.584 ( 3.208 4.025 7.692) 9.255 14.658 ( 1.742 -3.471 8.218) 9.089 15.585 ( -5.389 6.457 0.716) 8.441 15.730 ( -5.696 -8.855 1.687) 10.663 17.223 ( -13.604 14.476 -5.548) 20.626 17.484 ( -11.239 -12.818 -5.403) 17.883 18.322 ( -2.769 8.685 -4.944) 10.370 18.443 ( -5.058 -3.699 -1.350) 6.410 19.263 ( -13.737 6.078 -6.729) 16.459 19.371 ( -20.273 -4.705 4.040) 21.200 19.703 ( 7.371 4.986 11.783) 14.766 19.840 ( 13.769 -9.235 1.038) 16.612 21.336 ( 3.532 9.209 -1.699) 10.008 21.485 ( 3.200 -5.991 -3.229) 7.521 21.837 ( 1.583 1.527 -0.588) 2.277 21.873 ( 0.194 -2.148 -1.005) 2.379 22.202 ( 1.695 0.497 -0.205) 1.778 22.227 ( 3.734 -2.227 -1.548) 4.615 22.564 ( -3.471 3.225 3.666) 5.990 22.635 ( -1.306 -3.387 -1.745) 4.028 22.781 ( 0.422 6.283 -3.394) 7.153 22.921 ( 0.085 -7.082 -3.984) 8.126 28.444 ( 6.103 0.622 1.304) 6.272 28.457 ( 6.355 -0.611 1.698) 6.606 28.807 ( 8.146 4.362 1.755) 9.405 28.913 ( 8.414 -6.798 4.324) 11.650 29.700 ( 0.071 2.102 -7.619) 7.903 29.757 ( 1.477 -3.587 -5.429) 6.672 30.297 ( -7.877 10.055 3.067) 13.136 30.486 ( -6.359 -7.414 1.349) 9.860 30.658 ( 0.513 3.372 3.514) 4.897 30.755 ( -0.156 -7.480 5.422) 9.240 30.862 ( -3.103 3.519 3.509) 5.859 30.955 ( -0.293 -6.479 4.347) 7.807 31.249 ( -0.803 4.040 -5.144) 6.590 31.324 ( 0.600 -4.044 -3.222) 5.206 31.769 ( 6.315 4.703 -3.437) 8.591 31.825 ( 3.688 -1.487 -4.637) 6.109 32.008 ( -2.392 3.130 0.602) 3.985 32.060 ( -0.329 -1.314 3.383) 3.644 32.719 ( -3.400 1.111 3.276) 4.850 32.737 ( 1.902 0.686 -2.546) 3.251 32.920 ( -0.772 2.504 -0.243) 2.632 32.994 ( -3.238 1.711 1.871) 4.113 33.079 ( 1.734 4.541 0.012) 4.860 33.234 ( 1.542 -7.060 3.798) 8.164 33.523 ( -5.561 9.460 0.145) 10.974 33.690 ( -0.246 -6.113 2.138) 6.480 34.074 ( -5.255 1.323 -1.224) 5.556 34.138 ( 1.313 -4.421 -7.315) 8.648 ======================= Grid point 149 (77/78) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -3.952 8.262 -0.149) 9.159 1.861 ( 3.226 4.263 -2.873) 6.069 1.889 ( -1.607 -0.530 2.538) 3.050 1.943 ( 1.226 -4.863 -2.920) 5.803 2.288 ( 10.700 2.853 4.774) 12.059 2.441 ( 6.774 -9.357 6.875) 13.443 2.542 ( 11.484 10.602 -7.525) 17.347 2.617 ( 1.686 4.159 -1.437) 4.712 2.723 ( -4.597 10.397 -1.124) 11.424 2.805 ( -2.018 6.952 -3.389) 7.993 2.895 ( -4.829 -4.826 -4.557) 8.209 2.976 ( -5.051 -3.911 -2.794) 6.973 2.998 ( 3.844 -7.709 1.192) 8.697 3.087 ( 5.080 -9.758 -2.063) 11.193 3.215 ( 1.285 5.920 2.605) 6.594 3.299 ( -0.961 0.786 1.944) 2.307 3.359 ( -0.185 -2.044 -2.257) 3.051 3.523 ( -0.608 -7.891 -0.971) 7.974 3.563 ( -6.061 -1.655 -2.177) 6.649 3.597 ( 2.375 1.247 -0.709) 2.775 3.722 ( 8.530 1.557 3.505) 9.353 3.808 ( 8.565 -2.974 13.091) 15.924 3.943 ( 4.102 0.570 -3.107) 5.177 3.980 ( -1.326 0.437 1.340) 1.935 4.165 ( -5.009 0.433 -1.649) 5.291 4.267 ( 2.208 -8.455 -8.518) 12.203 4.351 ( -6.634 -0.528 1.187) 6.760 4.363 ( -6.804 -1.935 1.237) 7.181 4.605 ( 13.332 6.442 -9.865) 17.792 4.723 ( 3.545 -4.247 -7.662) 9.451 4.988 ( 4.225 2.170 7.620) 8.979 5.019 ( 9.357 2.382 0.252) 9.659 5.043 ( -0.876 1.162 0.663) 1.599 5.068 ( -0.053 0.094 -2.001) 2.004 5.255 ( 9.457 -2.794 6.327) 11.716 5.303 ( 7.930 -4.445 11.312) 14.512 5.791 ( 12.613 14.804 2.204) 19.573 5.904 ( 2.541 5.416 -0.044) 5.983 6.047 ( -10.590 -3.342 -3.252) 11.571 6.085 ( 2.014 -0.368 2.172) 2.984 6.227 ( 1.230 6.568 -2.593) 7.167 6.311 ( 6.029 -2.708 -3.888) 7.668 6.372 ( -6.104 -1.480 0.211) 6.284 6.443 ( -1.415 -4.295 6.126) 7.615 6.664 ( 7.409 2.782 5.238) 9.491 6.729 ( 10.612 1.951 -1.414) 10.882 6.831 ( 5.703 2.829 3.768) 7.397 6.950 ( -2.382 -4.929 2.026) 5.837 7.049 ( 4.033 -0.099 0.800) 4.113 7.080 ( 4.476 -2.339 0.739) 5.104 7.290 ( 6.155 5.429 -0.333) 8.214 7.410 ( -12.680 -2.019 1.390) 12.915 7.526 ( -6.361 3.654 1.428) 7.473 7.572 ( 1.048 -3.356 0.582) 3.564 7.774 ( -16.823 0.974 -11.712) 20.522 7.824 ( -9.072 -8.815 -0.761) 12.672 7.911 ( -15.905 -1.983 -0.580) 16.039 8.062 ( -10.124 -13.414 -8.753) 18.948 8.459 ( 5.736 1.985 13.231) 14.557 8.539 ( 4.578 -5.649 11.168) 13.327 8.850 ( 0.018 2.513 -7.026) 7.462 8.895 ( 0.262 -3.023 -7.228) 7.839 9.186 ( -3.822 1.048 -3.308) 5.162 9.216 ( -6.390 -1.065 -3.657) 7.439 9.602 ( 0.473 4.813 -3.177) 5.786 9.636 ( -5.043 2.315 2.188) 5.965 9.812 ( 0.745 8.720 -1.055) 8.815 9.907 ( -2.704 -0.469 -1.919) 3.348 10.495 ( 6.046 4.857 3.479) 8.500 10.564 ( 2.464 -1.493 2.022) 3.520 10.902 ( 0.469 4.110 1.667) 4.460 10.944 ( 2.319 2.167 5.106) 6.012 11.073 ( -6.474 -2.872 -0.332) 7.090 11.122 ( -5.114 -5.370 2.851) 7.945 11.360 ( 2.203 6.400 -2.109) 7.090 11.444 ( -4.935 -2.666 -0.527) 5.634 11.576 ( -1.249 2.019 -0.706) 2.477 11.691 ( -0.074 -8.651 -3.865) 9.475 11.915 ( -7.217 2.669 3.097) 8.295 11.956 ( -6.222 -0.417 2.732) 6.808 12.025 ( 3.081 5.568 3.872) 7.449 12.133 ( 4.554 -4.822 -4.037) 7.764 12.362 ( -3.458 2.505 2.783) 5.097 12.380 ( -1.646 0.894 0.097) 1.875 12.902 ( 12.595 4.365 -6.268) 14.730 12.975 ( 8.776 -2.781 -2.849) 9.637 13.075 ( 0.385 -0.882 -1.623) 1.887 13.095 ( -0.968 -2.376 1.573) 3.010 13.688 ( 17.057 3.311 -2.300) 17.527 13.760 ( 15.790 -2.762 4.151) 16.559 13.865 ( 0.070 1.409 3.933) 4.178 13.920 ( -2.982 -1.984 3.367) 4.915 14.274 ( 6.549 5.109 -0.811) 8.345 14.413 ( 4.859 -8.844 -1.441) 10.193 14.746 ( 5.515 1.937 5.300) 7.890 14.785 ( 2.687 -1.956 6.420) 7.229 15.525 ( -2.610 5.431 1.655) 6.249 15.629 ( -6.120 -5.392 -0.339) 8.164 16.995 ( -6.382 11.322 -2.351) 13.208 17.207 ( -12.065 -10.246 -6.910) 17.271 18.272 ( 2.966 5.551 -4.909) 7.981 18.365 ( -2.629 -3.440 -1.619) 4.622 18.983 ( -10.206 3.152 -3.757) 11.323 19.057 ( -16.790 -4.332 1.907) 17.444 19.971 ( 7.384 4.415 11.286) 14.191 20.065 ( 9.702 -5.228 0.575) 11.036 21.291 ( -4.571 5.111 -0.947) 6.922 21.375 ( -5.296 -3.594 -7.117) 9.572 21.930 ( 5.714 1.089 1.073) 5.915 21.962 ( 6.324 -1.812 2.576) 7.065 22.231 ( 1.464 2.781 -0.199) 3.149 22.273 ( 3.112 -1.635 -2.961) 4.596 22.546 ( -3.242 3.474 4.936) 6.852 22.600 ( -0.111 -0.371 -3.297) 3.319 22.757 ( 0.416 1.505 -1.193) 1.965 22.859 ( -1.584 -6.859 -4.925) 8.591 28.563 ( 5.410 0.962 1.320) 5.651 28.579 ( 4.938 -0.581 1.685) 5.250 28.923 ( 3.308 3.098 1.390) 4.740 29.010 ( -0.408 -5.926 1.376) 6.098 29.683 ( 5.165 5.404 -4.193) 8.571 29.776 ( 2.673 -2.788 -1.131) 4.024 30.206 ( -4.390 4.490 2.473) 6.749 30.359 ( -7.120 -9.198 -1.798) 11.770 30.704 ( 0.562 3.433 3.120) 4.672 30.764 ( -1.457 -3.190 0.946) 3.632 30.902 ( 0.238 4.738 7.897) 9.213 31.035 ( 1.384 -9.286 7.787) 12.198 31.147 ( -2.550 5.736 -8.236) 10.356 31.267 ( -1.345 -7.086 -6.679) 9.830 31.794 ( 0.432 2.290 -0.046) 2.331 31.839 ( 1.620 -2.581 -3.639) 4.746 32.052 ( 5.217 6.497 2.902) 8.823 32.126 ( 2.727 -1.055 3.113) 4.271 32.682 ( -1.608 6.537 -1.470) 6.890 32.765 ( 1.064 -3.134 -1.736) 3.737 32.849 ( -4.872 10.862 0.829) 11.934 32.959 ( -2.778 -2.223 4.765) 5.946 33.053 ( -1.535 -0.669 -3.682) 4.045 33.137 ( -7.614 -7.371 -5.033) 11.732 33.608 ( 5.867 11.291 8.034) 15.049 33.790 ( 5.158 -3.355 4.623) 7.696 33.958 ( -5.770 0.617 -1.098) 5.906 34.073 ( 0.682 -7.523 -9.070) 11.803 ======================= Grid point 150 (78/78) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -3.813 6.550 -6.422) 9.934 1.779 ( 3.813 6.550 6.422) 9.934 1.933 ( -0.521 -8.269 -6.738) 10.680 1.933 ( 0.521 -8.269 6.738) 10.680 2.477 ( -6.054 12.617 -6.824) 15.570 2.477 ( 6.054 12.617 6.824) 15.570 2.624 ( -4.697 8.246 -6.847) 11.702 2.624 ( 4.697 8.246 6.847) 11.702 2.695 ( 4.848 1.322 -5.716) 7.610 2.695 ( -4.848 1.322 5.716) 7.610 2.826 ( -3.444 2.186 0.060) 4.080 2.826 ( 3.444 2.186 -0.060) 4.080 3.126 ( -2.211 -11.446 -3.736) 12.241 3.126 ( 2.211 -11.446 3.736) 12.241 3.279 ( -4.473 -4.770 -1.278) 6.663 3.279 ( 4.473 -4.770 1.278) 6.663 3.399 ( -1.541 -9.401 -4.783) 10.660 3.399 ( 1.541 -9.401 4.783) 10.660 3.503 ( -1.301 3.688 -3.165) 5.031 3.503 ( 1.301 3.688 3.165) 5.031 3.920 ( 3.394 7.306 -9.445) 12.414 3.920 ( -3.394 7.306 9.445) 12.414 3.993 ( 4.536 0.411 -8.959) 10.051 3.993 ( -4.536 0.411 8.959) 10.051 4.165 ( -4.789 -12.966 -5.732) 14.964 4.165 ( 4.789 -12.966 5.732) 14.964 4.303 ( 1.271 -3.033 -3.434) 4.755 4.303 ( -1.271 -3.033 3.434) 4.755 4.810 ( -7.926 6.009 -5.544) 11.387 4.810 ( 7.926 6.009 5.544) 11.387 4.922 ( -7.118 0.377 -9.114) 11.571 4.922 ( 7.118 0.377 9.114) 11.571 5.056 ( 2.103 -1.094 -1.643) 2.885 5.056 ( -2.103 -1.094 1.643) 2.885 5.493 ( 0.492 -0.555 -0.920) 1.182 5.493 ( -0.492 -0.555 0.920) 1.182 5.904 ( 0.997 1.564 -5.122) 5.448 5.904 ( -0.997 1.564 5.122) 5.448 6.035 ( -4.268 9.793 -3.871) 11.362 6.035 ( 4.268 9.793 3.871) 11.362 6.219 ( 4.381 1.525 -3.855) 6.032 6.219 ( -4.381 1.525 3.855) 6.032 6.435 ( 7.058 -8.813 -5.394) 12.513 6.435 ( -7.058 -8.813 5.394) 12.513 6.815 ( -1.652 2.485 -1.954) 3.567 6.815 ( 1.652 2.485 1.954) 3.567 6.967 ( -11.879 4.500 -4.147) 13.363 6.967 ( 11.879 4.500 4.147) 13.363 7.199 ( -13.565 5.212 -6.204) 15.801 7.199 ( 13.565 5.212 6.204) 15.801 7.262 ( -10.511 -1.408 -5.448) 11.923 7.262 ( 10.511 -1.408 5.448) 11.923 7.437 ( -8.559 -3.073 -8.282) 12.300 7.437 ( 8.559 -3.073 8.282) 12.300 7.580 ( 7.751 -1.598 -7.765) 11.087 7.580 ( -7.751 -1.598 7.765) 11.087 7.876 ( -4.956 -12.879 -3.399) 14.212 7.876 ( 4.956 -12.879 3.399) 14.212 8.659 ( -1.582 -2.207 -5.500) 6.134 8.659 ( 1.582 -2.207 5.500) 6.134 8.822 ( -0.385 0.798 -5.842) 5.909 8.822 ( 0.385 0.798 5.842) 5.909 9.115 ( 1.126 -0.821 -1.086) 1.767 9.115 ( -1.126 -0.821 1.086) 1.767 9.593 ( 2.586 3.959 -3.274) 5.751 9.593 ( -2.586 3.959 3.274) 5.751 9.855 ( -2.364 4.009 -1.207) 4.808 9.855 ( 2.364 4.009 1.207) 4.808 10.581 ( -1.305 2.415 -0.814) 2.863 10.581 ( 1.305 2.415 0.814) 2.863 10.959 ( -0.930 4.249 -2.235) 4.890 10.959 ( 0.930 4.249 2.235) 4.890 11.060 ( -4.034 -5.535 -0.609) 6.876 11.060 ( 4.034 -5.535 0.609) 6.876 11.360 ( -1.508 -0.585 -0.621) 1.732 11.360 ( 1.508 -0.585 0.621) 1.732 11.631 ( -4.864 0.145 -1.144) 4.999 11.631 ( 4.864 0.145 1.144) 4.999 11.884 ( -0.247 -1.676 -0.585) 1.793 11.884 ( 0.247 -1.676 0.585) 1.793 12.122 ( 2.468 2.268 -9.377) 9.958 12.122 ( -2.468 2.268 9.377) 9.958 12.350 ( 2.742 2.310 -5.852) 6.863 12.350 ( -2.742 2.310 5.852) 6.863 13.007 ( 6.223 2.781 -5.088) 8.506 13.007 ( -6.223 2.781 5.088) 8.506 13.083 ( 4.914 -4.170 -5.595) 8.535 13.083 ( -4.914 -4.170 5.595) 8.535 13.846 ( 6.761 3.171 -5.998) 9.578 13.846 ( -6.761 3.171 5.998) 9.578 13.913 ( 4.375 -3.389 -4.432) 7.090 13.913 ( -4.375 -3.389 4.432) 7.090 14.407 ( -2.462 -2.955 -4.515) 5.931 14.407 ( 2.462 -2.955 4.515) 5.931 14.834 ( 0.549 0.343 -0.438) 0.782 14.834 ( -0.549 0.343 0.438) 0.782 15.539 ( -2.345 1.391 -1.792) 3.263 15.539 ( 2.345 1.391 1.792) 3.263 16.991 ( -4.828 0.122 -4.013) 6.279 16.991 ( 4.828 0.122 4.013) 6.279 18.308 ( 1.970 0.449 -1.275) 2.389 18.308 ( -1.970 0.449 1.275) 2.389 18.889 ( 3.513 -1.078 -3.063) 4.784 18.889 ( -3.513 -1.078 3.063) 4.784 20.132 ( 0.496 0.566 -6.149) 6.195 20.132 ( -0.496 0.566 6.149) 6.195 21.256 ( 0.213 -0.702 -4.614) 4.672 21.256 ( -0.213 -0.702 4.614) 4.672 22.020 ( -0.791 0.938 -1.473) 1.917 22.020 ( 0.791 0.938 1.473) 1.917 22.259 ( 0.422 0.863 -3.801) 3.920 22.259 ( -0.422 0.863 3.801) 3.920 22.563 ( 1.789 2.371 -6.133) 6.814 22.563 ( -1.789 2.371 6.133) 6.814 22.786 ( -1.474 -4.219 -3.299) 5.555 22.786 ( 1.474 -4.219 3.299) 5.555 28.629 ( -0.727 0.465 0.075) 0.866 28.629 ( 0.727 0.465 -0.075) 0.866 28.976 ( -2.156 -1.691 -0.913) 2.888 28.976 ( 2.156 -1.691 0.913) 2.888 29.758 ( 1.118 4.916 -3.357) 6.057 29.758 ( -1.118 4.916 3.357) 6.057 30.232 ( -1.853 -6.066 -4.552) 7.807 30.232 ( 1.853 -6.066 4.552) 7.807 30.740 ( -1.000 0.018 -1.219) 1.577 30.740 ( 1.000 0.018 1.219) 1.577 31.011 ( -1.879 6.048 -9.474) 11.396 31.011 ( 1.879 6.048 9.474) 11.396 31.154 ( -2.243 -8.804 -8.477) 12.425 31.154 ( 2.243 -8.804 8.477) 12.425 31.816 ( -0.120 -0.457 -2.421) 2.467 31.816 ( 0.120 -0.457 2.421) 2.467 32.156 ( -0.210 2.497 -2.003) 3.208 32.156 ( 0.210 2.497 2.003) 3.208 32.677 ( -1.794 8.248 -1.408) 8.558 32.677 ( 1.794 8.248 1.408) 8.558 32.922 ( -2.761 0.932 -6.650) 7.261 32.922 ( 2.761 0.932 6.650) 7.261 33.010 ( 1.672 -6.432 -8.243) 10.588 33.010 ( -1.672 -6.432 8.243) 10.588 33.780 ( -3.589 9.918 -7.898) 13.176 33.780 ( 3.589 9.918 7.898) 13.176 33.974 ( -0.413 -9.626 -10.354) 14.144 33.974 ( 0.413 -9.626 10.354) 14.144 =================== 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 3/34560 10.0 229.590 167.406 175.818 0.000 9.109 0.000 3/34560 20.0 26.920 23.481 26.192 0.000 -2.502 0.000 3/34560 30.0 10.511 9.345 10.618 0.000 -1.150 0.000 3/34560 40.0 6.084 5.344 6.138 0.000 -0.654 0.000 3/34560 50.0 4.243 3.654 4.223 0.000 -0.426 0.000 3/34560 60.0 3.278 2.769 3.209 0.000 -0.300 0.000 3/34560 70.0 2.697 2.240 2.595 0.000 -0.222 0.000 3/34560 80.0 2.313 1.893 2.189 0.000 -0.172 0.000 3/34560 90.0 2.042 1.650 1.902 0.000 -0.138 0.000 3/34560 100.0 1.841 1.471 1.689 0.000 -0.114 0.000 3/34560 110.0 1.688 1.333 1.526 0.000 -0.097 0.000 3/34560 120.0 1.566 1.224 1.397 0.000 -0.085 0.000 3/34560 130.0 1.467 1.135 1.292 0.000 -0.075 0.000 3/34560 140.0 1.384 1.062 1.205 0.000 -0.068 0.000 3/34560 150.0 1.314 0.999 1.132 0.000 -0.062 0.000 3/34560 160.0 1.253 0.946 1.069 0.000 -0.058 0.000 3/34560 170.0 1.200 0.899 1.014 0.000 -0.054 0.000 3/34560 180.0 1.152 0.858 0.967 0.000 -0.051 0.000 3/34560 190.0 1.109 0.821 0.924 0.000 -0.048 0.000 3/34560 200.0 1.070 0.789 0.886 0.000 -0.046 0.000 3/34560 210.0 1.034 0.759 0.852 0.000 -0.044 0.000 3/34560 220.0 1.001 0.732 0.821 0.000 -0.042 0.000 3/34560 230.0 0.970 0.707 0.792 0.000 -0.041 0.000 3/34560 240.0 0.942 0.685 0.766 0.000 -0.039 0.000 3/34560 250.0 0.915 0.664 0.742 0.000 -0.038 0.000 3/34560 260.0 0.890 0.644 0.720 0.000 -0.037 0.000 3/34560 270.0 0.866 0.626 0.699 0.000 -0.036 0.000 3/34560 280.0 0.844 0.609 0.679 0.000 -0.035 0.000 3/34560 290.0 0.822 0.593 0.661 0.000 -0.034 0.000 3/34560 300.0 0.802 0.578 0.644 0.000 -0.033 0.000 3/34560 310.0 0.783 0.564 0.628 0.000 -0.032 0.000 3/34560 320.0 0.765 0.550 0.612 0.000 -0.031 0.000 3/34560 330.0 0.747 0.537 0.598 0.000 -0.031 0.000 3/34560 340.0 0.731 0.525 0.584 0.000 -0.030 0.000 3/34560 350.0 0.715 0.514 0.571 0.000 -0.029 0.000 3/34560 360.0 0.700 0.503 0.558 0.000 -0.029 0.000 3/34560 370.0 0.685 0.492 0.546 0.000 -0.028 0.000 3/34560 380.0 0.671 0.482 0.535 0.000 -0.027 0.000 3/34560 390.0 0.657 0.472 0.524 0.000 -0.027 0.000 3/34560 400.0 0.645 0.463 0.513 0.000 -0.026 0.000 3/34560 410.0 0.632 0.454 0.503 0.000 -0.026 0.000 3/34560 420.0 0.620 0.446 0.494 0.000 -0.025 0.000 3/34560 430.0 0.608 0.437 0.484 0.000 -0.025 0.000 3/34560 440.0 0.597 0.430 0.475 0.000 -0.024 0.000 3/34560 450.0 0.586 0.422 0.467 0.000 -0.024 0.000 3/34560 460.0 0.576 0.415 0.458 0.000 -0.023 0.000 3/34560 470.0 0.566 0.407 0.450 0.000 -0.023 0.000 3/34560 480.0 0.556 0.401 0.443 0.000 -0.023 0.000 3/34560 490.0 0.547 0.394 0.435 0.000 -0.022 0.000 3/34560 500.0 0.538 0.387 0.428 0.000 -0.022 0.000 3/34560 510.0 0.529 0.381 0.421 0.000 -0.021 0.000 3/34560 520.0 0.520 0.375 0.414 0.000 -0.021 0.000 3/34560 530.0 0.512 0.369 0.407 0.000 -0.021 0.000 3/34560 540.0 0.504 0.364 0.401 0.000 -0.020 0.000 3/34560 550.0 0.496 0.358 0.395 0.000 -0.020 0.000 3/34560 560.0 0.489 0.353 0.389 0.000 -0.020 0.000 3/34560 570.0 0.481 0.347 0.383 0.000 -0.020 0.000 3/34560 580.0 0.474 0.342 0.377 0.000 -0.019 0.000 3/34560 590.0 0.467 0.338 0.372 0.000 -0.019 0.000 3/34560 600.0 0.460 0.333 0.366 0.000 -0.019 0.000 3/34560 610.0 0.454 0.328 0.361 0.000 -0.018 0.000 3/34560 620.0 0.447 0.324 0.356 0.000 -0.018 0.000 3/34560 630.0 0.441 0.319 0.351 0.000 -0.018 0.000 3/34560 640.0 0.435 0.315 0.346 0.000 -0.018 0.000 3/34560 650.0 0.429 0.311 0.342 0.000 -0.017 0.000 3/34560 660.0 0.423 0.307 0.337 0.000 -0.017 0.000 3/34560 670.0 0.418 0.303 0.333 0.000 -0.017 0.000 3/34560 680.0 0.412 0.299 0.328 0.000 -0.017 0.000 3/34560 690.0 0.407 0.295 0.324 0.000 -0.016 0.000 3/34560 700.0 0.402 0.291 0.320 0.000 -0.016 0.000 3/34560 710.0 0.397 0.288 0.316 0.000 -0.016 0.000 3/34560 720.0 0.392 0.284 0.312 0.000 -0.016 0.000 3/34560 730.0 0.387 0.281 0.308 0.000 -0.016 0.000 3/34560 740.0 0.382 0.277 0.304 0.000 -0.015 0.000 3/34560 750.0 0.378 0.274 0.301 0.000 -0.015 0.000 3/34560 760.0 0.373 0.271 0.297 0.000 -0.015 0.000 3/34560 770.0 0.369 0.268 0.294 0.000 -0.015 0.000 3/34560 780.0 0.364 0.265 0.290 0.000 -0.015 0.000 3/34560 790.0 0.360 0.262 0.287 0.000 -0.015 0.000 3/34560 800.0 0.356 0.259 0.284 0.000 -0.014 0.000 3/34560 810.0 0.352 0.256 0.281 0.000 -0.014 0.000 3/34560 820.0 0.348 0.253 0.277 0.000 -0.014 0.000 3/34560 830.0 0.344 0.250 0.274 0.000 -0.014 0.000 3/34560 840.0 0.340 0.247 0.271 0.000 -0.014 0.000 3/34560 850.0 0.337 0.245 0.268 0.000 -0.014 0.000 3/34560 860.0 0.333 0.242 0.266 0.000 -0.013 0.000 3/34560 870.0 0.330 0.240 0.263 0.000 -0.013 0.000 3/34560 880.0 0.326 0.237 0.260 0.000 -0.013 0.000 3/34560 890.0 0.323 0.235 0.257 0.000 -0.013 0.000 3/34560 900.0 0.319 0.232 0.255 0.000 -0.013 0.000 3/34560 910.0 0.316 0.230 0.252 0.000 -0.013 0.000 3/34560 920.0 0.313 0.228 0.250 0.000 -0.013 0.000 3/34560 930.0 0.310 0.225 0.247 0.000 -0.013 0.000 3/34560 940.0 0.307 0.223 0.245 0.000 -0.012 0.000 3/34560 950.0 0.304 0.221 0.242 0.000 -0.012 0.000 3/34560 960.0 0.301 0.219 0.240 0.000 -0.012 0.000 3/34560 970.0 0.298 0.217 0.238 0.000 -0.012 0.000 3/34560 980.0 0.295 0.215 0.235 0.000 -0.012 0.000 3/34560 990.0 0.292 0.213 0.233 0.000 -0.012 0.000 3/34560 1000.0 0.289 0.211 0.231 0.000 -0.012 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m856.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:05:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|