----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:38:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.907159670002055 0.000000000000000 0.000000000000000 b 0.000000000000000 5.500980070000001 0.000000000000000 c -7.465329111644732 0.000000000000000 17.074411531503955 Atomic positions (fractional): *1 Cs 0.97536335276159 0.73079632408751 0.11431294794997 132.905 2 Cs 0.02463664723841 0.23079632408751 0.38568705205003 132.905 3 Cs 0.02463664723841 0.26920367591249 0.88568705205003 132.905 4 Cs 0.97536335276159 0.76920367591249 0.61431294794997 132.905 *5 La 0.50574566498728 0.31442290545989 0.63764674744966 138.905 6 La 0.49425433501272 0.81442290545989 0.86235325255034 138.905 7 La 0.50574566498728 0.18557709454011 0.13764674744966 138.905 8 La 0.49425433501272 0.68557709454011 0.36235325255034 138.905 *9 S 0.70488261325329 0.73391519005915 0.24689175953036 32.065 *10 S 0.64995387658782 0.24347519116542 0.47787346064407 32.065 11 S 0.35004612341218 0.74347519116542 0.02212653935593 32.065 12 S 0.29511738674671 0.23391519005915 0.25310824046964 32.065 13 S 0.29511738674671 0.26608480994085 0.75310824046964 32.065 14 S 0.64995387658782 0.25652480883458 0.97787346064407 32.065 15 S 0.70488261325329 0.76608480994085 0.74689175953036 32.065 16 S 0.35004612341218 0.75652480883458 0.52212653935593 32.065 *17 O 0.23821137701104 0.56180647177961 0.53770724998910 15.999 *18 O 0.78084378460488 0.70859956322325 0.33338046747973 15.999 *19 O 0.30247261415762 0.78107129795847 0.43703640650997 15.999 *20 O 0.26479434605908 0.49135117488840 0.78943330600143 15.999 21 O 0.21915621539512 0.20859956322325 0.16661953252027 15.999 *22 O 0.78814278865255 0.94635029643060 0.22392202488003 15.999 23 O 0.21915621539512 0.29140043677675 0.66661953252027 15.999 *24 O 0.54655133936685 0.68466912780815 0.56482714146615 15.999 *25 O 0.31324786148611 0.99341702412825 0.55185656957543 15.999 26 O 0.69752738584239 0.21892870204153 0.56296359349003 15.999 27 O 0.78084378460488 0.79140043677675 0.83338046747973 15.999 28 O 0.45344866063315 0.18466912780815 0.93517285853385 15.999 *29 O 0.50118187698478 0.78573282318190 0.22003609030552 15.999 30 O 0.69752738584239 0.28107129795847 0.06296359349003 15.999 31 O 0.21185721134745 0.44635029643060 0.27607797511997 15.999 32 O 0.49881812301522 0.21426717681810 0.77996390969448 15.999 33 O 0.68675213851389 0.00658297587175 0.44814343042457 15.999 34 O 0.23821137701104 0.93819352822039 0.03770724998910 15.999 35 O 0.21185721134745 0.05364970356940 0.77607797511997 15.999 36 O 0.45344866063315 0.31533087219185 0.43517285853385 15.999 37 O 0.73520565394092 0.99135117488840 0.71056669399857 15.999 38 O 0.49881812301522 0.28573282318191 0.27996390969448 15.999 39 O 0.54655133936685 0.81533087219185 0.06482714146615 15.999 40 O 0.76178862298896 0.43819352822039 0.46229275001090 15.999 41 O 0.50118187698478 0.71426717681810 0.72003609030552 15.999 42 O 0.73520565394092 0.50864882511160 0.21056669399857 15.999 43 O 0.68675213851389 0.49341702412825 0.94814343042457 15.999 44 O 0.76178862298896 0.06180647177961 0.96229275001090 15.999 45 O 0.31324786148611 0.50658297587175 0.05185656957543 15.999 46 O 0.26479434605908 0.00864882511160 0.28943330600143 15.999 47 O 0.78814278865255 0.55364970356940 0.72392202488003 15.999 48 O 0.30247261415762 0.71892870204153 0.93703640650997 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.907159670002055 0.000000000000000 0.000000000000000 b 0.000000000000000 5.500980070000001 0.000000000000000 c -7.465329111644732 0.000000000000000 17.074411531503955 Atomic positions (fractional): *1 Cs 0.97536335276159 0.73079632408751 0.11431294794997 132.905 > 1 2 Cs 0.02463664723841 0.23079632408751 0.38568705205003 132.905 > 2 3 Cs 0.02463664723841 0.26920367591249 0.88568705205003 132.905 > 3 4 Cs 0.97536335276159 0.76920367591249 0.61431294794997 132.905 > 4 *5 La 0.50574566498728 0.31442290545989 0.63764674744966 138.905 > 5 6 La 0.49425433501272 0.81442290545989 0.86235325255034 138.905 > 6 7 La 0.50574566498728 0.18557709454011 0.13764674744966 138.905 > 7 8 La 0.49425433501272 0.68557709454011 0.36235325255034 138.905 > 8 *9 S 0.70488261325329 0.73391519005915 0.24689175953036 32.065 > 9 *10 S 0.64995387658782 0.24347519116542 0.47787346064407 32.065 > 10 11 S 0.35004612341218 0.74347519116542 0.02212653935593 32.065 > 11 12 S 0.29511738674671 0.23391519005915 0.25310824046964 32.065 > 12 13 S 0.29511738674671 0.26608480994085 0.75310824046964 32.065 > 13 14 S 0.64995387658782 0.25652480883458 0.97787346064407 32.065 > 14 15 S 0.70488261325329 0.76608480994085 0.74689175953036 32.065 > 15 16 S 0.35004612341218 0.75652480883458 0.52212653935593 32.065 > 16 *17 O 0.23821137701104 0.56180647177961 0.53770724998910 15.999 > 17 *18 O 0.78084378460488 0.70859956322325 0.33338046747973 15.999 > 18 *19 O 0.30247261415762 0.78107129795847 0.43703640650997 15.999 > 19 *20 O 0.26479434605908 0.49135117488840 0.78943330600143 15.999 > 20 21 O 0.21915621539512 0.20859956322325 0.16661953252027 15.999 > 21 *22 O 0.78814278865255 0.94635029643060 0.22392202488003 15.999 > 22 23 O 0.21915621539512 0.29140043677675 0.66661953252027 15.999 > 23 *24 O 0.54655133936685 0.68466912780815 0.56482714146615 15.999 > 24 *25 O 0.31324786148611 0.99341702412825 0.55185656957543 15.999 > 25 26 O 0.69752738584239 0.21892870204153 0.56296359349003 15.999 > 26 27 O 0.78084378460488 0.79140043677675 0.83338046747973 15.999 > 27 28 O 0.45344866063315 0.18466912780815 0.93517285853385 15.999 > 28 *29 O 0.50118187698478 0.78573282318190 0.22003609030552 15.999 > 29 30 O 0.69752738584239 0.28107129795847 0.06296359349003 15.999 > 30 31 O 0.21185721134745 0.44635029643060 0.27607797511997 15.999 > 31 32 O 0.49881812301522 0.21426717681810 0.77996390969448 15.999 > 32 33 O 0.68675213851389 0.00658297587175 0.44814343042457 15.999 > 33 34 O 0.23821137701104 0.93819352822039 0.03770724998910 15.999 > 34 35 O 0.21185721134745 0.05364970356940 0.77607797511997 15.999 > 35 36 O 0.45344866063315 0.31533087219185 0.43517285853385 15.999 > 36 37 O 0.73520565394092 0.99135117488840 0.71056669399857 15.999 > 37 38 O 0.49881812301522 0.28573282318191 0.27996390969448 15.999 > 38 39 O 0.54655133936685 0.81533087219185 0.06482714146615 15.999 > 39 40 O 0.76178862298896 0.43819352822039 0.46229275001090 15.999 > 40 41 O 0.50118187698478 0.71426717681810 0.72003609030552 15.999 > 41 42 O 0.73520565394092 0.50864882511160 0.21056669399857 15.999 > 42 43 O 0.68675213851389 0.49341702412825 0.94814343042457 15.999 > 43 44 O 0.76178862298896 0.06180647177961 0.96229275001090 15.999 > 44 45 O 0.31324786148611 0.50658297587175 0.05185656957543 15.999 > 45 46 O 0.26479434605908 0.00864882511160 0.28943330600143 15.999 > 46 47 O 0.78814278865255 0.55364970356940 0.72392202488003 15.999 > 47 48 O 0.30247261415762 0.71892870204153 0.93703640650997 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.907159670002055 0.000000000000000 0.000000000000000 b 0.000000000000000 11.001960140000001 0.000000000000000 c -7.465329111644732 0.000000000000000 17.074411531503955 Atomic positions (fractional): *1 Cs 0.97536335276159 0.36539816204375 0.11431294794997 132.905 > 1 2 Cs 0.97536335276159 0.86539816204375 0.11431294794997 132.905 > 1 3 Cs 0.02463664723841 0.11539816204375 0.38568705205003 132.905 > 2 4 Cs 0.02463664723841 0.61539816204375 0.38568705205003 132.905 > 2 5 Cs 0.02463664723841 0.13460183795625 0.88568705205003 132.905 > 3 6 Cs 0.02463664723841 0.63460183795625 0.88568705205003 132.905 > 3 7 Cs 0.97536335276159 0.38460183795625 0.61431294794997 132.905 > 4 8 Cs 0.97536335276159 0.88460183795625 0.61431294794997 132.905 > 4 *9 La 0.50574566498728 0.15721145272994 0.63764674744966 138.905 > 5 10 La 0.50574566498728 0.65721145272994 0.63764674744966 138.905 > 5 11 La 0.49425433501272 0.40721145272995 0.86235325255034 138.905 > 6 12 La 0.49425433501272 0.90721145272995 0.86235325255034 138.905 > 6 13 La 0.50574566498728 0.09278854727006 0.13764674744966 138.905 > 7 14 La 0.50574566498728 0.59278854727006 0.13764674744966 138.905 > 7 15 La 0.49425433501272 0.34278854727005 0.36235325255034 138.905 > 8 16 La 0.49425433501272 0.84278854727005 0.36235325255034 138.905 > 8 *17 S 0.70488261325329 0.36695759502957 0.24689175953036 32.065 > 9 18 S 0.70488261325329 0.86695759502957 0.24689175953036 32.065 > 9 *19 S 0.64995387658782 0.12173759558271 0.47787346064407 32.065 > 10 20 S 0.64995387658782 0.62173759558271 0.47787346064407 32.065 > 10 21 S 0.35004612341218 0.37173759558271 0.02212653935593 32.065 > 11 22 S 0.35004612341218 0.87173759558271 0.02212653935593 32.065 > 11 23 S 0.29511738674671 0.11695759502957 0.25310824046964 32.065 > 12 24 S 0.29511738674671 0.61695759502957 0.25310824046964 32.065 > 12 25 S 0.29511738674671 0.13304240497043 0.75310824046964 32.065 > 13 26 S 0.29511738674671 0.63304240497043 0.75310824046964 32.065 > 13 27 S 0.64995387658782 0.12826240441729 0.97787346064407 32.065 > 14 28 S 0.64995387658782 0.62826240441729 0.97787346064407 32.065 > 14 29 S 0.70488261325329 0.38304240497043 0.74689175953036 32.065 > 15 30 S 0.70488261325329 0.88304240497043 0.74689175953036 32.065 > 15 31 S 0.35004612341218 0.37826240441729 0.52212653935593 32.065 > 16 32 S 0.35004612341218 0.87826240441729 0.52212653935593 32.065 > 16 *33 O 0.23821137701104 0.28090323588980 0.53770724998910 15.999 > 17 34 O 0.23821137701104 0.78090323588980 0.53770724998910 15.999 > 17 *35 O 0.78084378460488 0.35429978161163 0.33338046747973 15.999 > 18 36 O 0.78084378460488 0.85429978161163 0.33338046747973 15.999 > 18 *37 O 0.30247261415762 0.39053564897924 0.43703640650997 15.999 > 19 38 O 0.30247261415762 0.89053564897924 0.43703640650997 15.999 > 19 *39 O 0.26479434605908 0.24567558744420 0.78943330600143 15.999 > 20 40 O 0.26479434605908 0.74567558744420 0.78943330600143 15.999 > 20 41 O 0.21915621539512 0.10429978161163 0.16661953252027 15.999 > 21 42 O 0.21915621539512 0.60429978161163 0.16661953252027 15.999 > 21 *43 O 0.78814278865255 0.47317514821530 0.22392202488003 15.999 > 22 44 O 0.78814278865255 0.97317514821530 0.22392202488003 15.999 > 22 45 O 0.21915621539512 0.14570021838837 0.66661953252027 15.999 > 23 46 O 0.21915621539512 0.64570021838837 0.66661953252027 15.999 > 23 *47 O 0.54655133936685 0.34233456390407 0.56482714146615 15.999 > 24 48 O 0.54655133936685 0.84233456390407 0.56482714146615 15.999 > 24 *49 O 0.31324786148611 0.49670851206412 0.55185656957543 15.999 > 25 50 O 0.31324786148611 0.99670851206413 0.55185656957543 15.999 > 25 51 O 0.69752738584239 0.10946435102076 0.56296359349003 15.999 > 26 52 O 0.69752738584239 0.60946435102076 0.56296359349003 15.999 > 26 53 O 0.78084378460488 0.39570021838837 0.83338046747973 15.999 > 27 54 O 0.78084378460488 0.89570021838837 0.83338046747973 15.999 > 27 55 O 0.45344866063315 0.09233456390407 0.93517285853385 15.999 > 28 56 O 0.45344866063315 0.59233456390407 0.93517285853385 15.999 > 28 *57 O 0.50118187698478 0.39286641159095 0.22003609030552 15.999 > 29 58 O 0.50118187698478 0.89286641159095 0.22003609030552 15.999 > 29 59 O 0.69752738584239 0.14053564897924 0.06296359349003 15.999 > 30 60 O 0.69752738584239 0.64053564897924 0.06296359349003 15.999 > 30 61 O 0.21185721134745 0.22317514821530 0.27607797511997 15.999 > 31 62 O 0.21185721134745 0.72317514821530 0.27607797511997 15.999 > 31 63 O 0.49881812301522 0.10713358840905 0.77996390969448 15.999 > 32 64 O 0.49881812301522 0.60713358840905 0.77996390969448 15.999 > 32 65 O 0.68675213851389 0.00329148793587 0.44814343042457 15.999 > 33 66 O 0.68675213851389 0.50329148793587 0.44814343042457 15.999 > 33 67 O 0.23821137701104 0.46909676411020 0.03770724998910 15.999 > 34 68 O 0.23821137701104 0.96909676411020 0.03770724998910 15.999 > 34 69 O 0.21185721134745 0.02682485178470 0.77607797511997 15.999 > 35 70 O 0.21185721134745 0.52682485178470 0.77607797511997 15.999 > 35 71 O 0.45344866063315 0.15766543609593 0.43517285853385 15.999 > 36 72 O 0.45344866063315 0.65766543609593 0.43517285853385 15.999 > 36 73 O 0.73520565394092 0.49567558744420 0.71056669399857 15.999 > 37 74 O 0.73520565394092 0.99567558744420 0.71056669399857 15.999 > 37 75 O 0.49881812301522 0.14286641159095 0.27996390969448 15.999 > 38 76 O 0.49881812301522 0.64286641159095 0.27996390969448 15.999 > 38 77 O 0.54655133936685 0.40766543609593 0.06482714146615 15.999 > 39 78 O 0.54655133936685 0.90766543609593 0.06482714146615 15.999 > 39 79 O 0.76178862298896 0.21909676411020 0.46229275001090 15.999 > 40 80 O 0.76178862298896 0.71909676411020 0.46229275001090 15.999 > 40 81 O 0.50118187698478 0.35713358840905 0.72003609030552 15.999 > 41 82 O 0.50118187698478 0.85713358840905 0.72003609030552 15.999 > 41 83 O 0.73520565394092 0.25432441255580 0.21056669399857 15.999 > 42 84 O 0.73520565394092 0.75432441255580 0.21056669399857 15.999 > 42 85 O 0.68675213851389 0.24670851206413 0.94814343042457 15.999 > 43 86 O 0.68675213851389 0.74670851206413 0.94814343042457 15.999 > 43 87 O 0.76178862298896 0.03090323588980 0.96229275001090 15.999 > 44 88 O 0.76178862298896 0.53090323588980 0.96229275001090 15.999 > 44 89 O 0.31324786148611 0.25329148793588 0.05185656957543 15.999 > 45 90 O 0.31324786148611 0.75329148793587 0.05185656957543 15.999 > 45 91 O 0.26479434605908 0.00432441255580 0.28943330600143 15.999 > 46 92 O 0.26479434605908 0.50432441255580 0.28943330600143 15.999 > 46 93 O 0.78814278865255 0.27682485178470 0.72392202488003 15.999 > 47 94 O 0.78814278865255 0.77682485178470 0.72392202488003 15.999 > 47 95 O 0.30247261415762 0.35946435102076 0.93703640650997 15.999 > 48 96 O 0.30247261415762 0.85946435102076 0.93703640650997 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6302002 0.0000000 -0.1321877 0.0000000 2.9421936 0.0000000 -0.1322108 0.0000000 2.8701391 -------------------------- Born effective charges -------------------------- 1 Cs 1.6615421 0.0634087 0.1302069 0.0775669 1.2807780 -0.0413577 0.1386090 -0.0218620 1.3363527 2 Cs 1.6615421 -0.0634087 0.1302069 -0.0775669 1.2807780 0.0413577 0.1386090 0.0218620 1.3363527 3 Cs 1.6615421 0.0634087 0.1302069 0.0775669 1.2807780 -0.0413577 0.1386090 -0.0218620 1.3363527 4 Cs 1.6615421 -0.0634087 0.1302069 -0.0775669 1.2807780 0.0413577 0.1386090 0.0218620 1.3363527 5 La 3.1994408 -0.0000144 -0.6094351 0.1448196 4.6660092 0.0355183 -0.6835173 0.0331152 4.2996657 6 La 3.1994408 0.0000144 -0.6094351 -0.1448196 4.6660092 -0.0355183 -0.6835173 -0.0331152 4.2996657 7 La 3.1994408 0.0000144 -0.6094351 -0.1448196 4.6660092 -0.0355183 -0.6835173 -0.0331152 4.2996657 8 La 3.1994408 -0.0000144 -0.6094351 0.1448196 4.6660092 0.0355183 -0.6835173 0.0331152 4.2996657 9 S 2.7239638 0.0112091 -0.3995651 -0.2677808 3.7865640 -0.0735954 -0.5230868 -0.0186844 3.4771918 10 S 2.6077495 0.0413488 -0.5958571 -0.4068226 4.0680005 -0.0293649 -0.3027091 -0.1461649 3.8229717 11 S 2.6077495 -0.0413488 -0.5958571 0.4068226 4.0680005 0.0293649 -0.3027091 0.1461649 3.8229717 12 S 2.7239638 -0.0112091 -0.3995651 0.2677808 3.7865640 0.0735954 -0.5230868 0.0186844 3.4771918 13 S 2.7239638 0.0112091 -0.3995651 -0.2677808 3.7865640 -0.0735954 -0.5230868 -0.0186844 3.4771918 14 S 2.6077495 -0.0413488 -0.5958571 0.4068226 4.0680005 0.0293649 -0.3027091 0.1461649 3.8229717 15 S 2.7239638 -0.0112091 -0.3995651 0.2677808 3.7865640 0.0735954 -0.5230868 0.0186844 3.4771918 16 S 2.6077495 0.0413488 -0.5958571 -0.4068226 4.0680005 -0.0293649 -0.3027091 -0.1461649 3.8229717 17 O -1.3598407 -0.3689367 0.1184158 -0.3032259 -1.8288738 0.3715434 0.0658603 0.3645412 -1.3055742 18 O -1.3087824 -0.0377053 0.3061147 0.0065438 -1.0335378 0.1735898 0.4143291 0.1448340 -2.0936346 19 O -1.2891229 0.1055732 0.7333526 0.1777461 -1.1041989 -0.0001072 0.7527525 0.0596557 -2.5611356 20 O -1.0213261 0.1770410 0.1546579 0.1020103 -2.3513653 -0.7427398 0.1025927 -0.7032903 -1.3483988 21 O -1.3087824 0.0377053 0.3061147 -0.0065438 -1.0335378 -0.1735898 0.4143291 -0.1448340 -2.0936346 22 O -1.2707500 -0.3282887 0.0884740 -0.2118681 -1.9486691 0.4601861 0.1001635 0.4602245 -1.2982776 23 O -1.3087824 -0.0377053 0.3061147 0.0065438 -1.0335378 0.1735898 0.4143291 0.1448340 -2.0936346 24 O -1.3503207 0.1020349 -0.1716103 0.2477125 -1.4784122 0.4742729 -0.2502695 0.4383971 -1.4415467 25 O -0.9529581 0.2506133 0.1705890 0.1985939 -2.6781959 -0.8616381 0.0614945 -0.7117815 -1.4524165 26 O -1.2891229 0.1055732 0.7333526 0.1777461 -1.1041989 -0.0001072 0.7527525 0.0596557 -2.5611356 27 O -1.3087824 0.0377053 0.3061147 -0.0065438 -1.0335378 -0.1735898 0.4143291 -0.1448340 -2.0936346 28 O -1.3503207 -0.1020349 -0.1716103 -0.2477125 -1.4784122 -0.4742729 -0.2502695 -0.4383971 -1.4415467 29 O -1.6395954 0.0944510 0.0746568 0.2125096 -1.3780987 0.4188457 0.1237811 0.3430900 -1.4351979 30 O -1.2891229 -0.1055732 0.7333526 -0.1777461 -1.1041989 0.0001072 0.7527525 -0.0596557 -2.5611356 31 O -1.2707500 0.3282887 0.0884740 0.2118681 -1.9486691 -0.4601861 0.1001635 -0.4602245 -1.2982776 32 O -1.6395954 0.0944510 0.0746568 0.2125096 -1.3780987 0.4188457 0.1237811 0.3430900 -1.4351979 33 O -0.9529581 0.2506133 0.1705890 0.1985939 -2.6781959 -0.8616381 0.0614945 -0.7117815 -1.4524165 34 O -1.3598407 0.3689367 0.1184158 0.3032259 -1.8288738 -0.3715434 0.0658603 -0.3645412 -1.3055742 35 O -1.2707500 -0.3282887 0.0884740 -0.2118681 -1.9486691 0.4601861 0.1001635 0.4602245 -1.2982776 36 O -1.3503207 0.1020349 -0.1716103 0.2477125 -1.4784122 0.4742729 -0.2502695 0.4383971 -1.4415467 37 O -1.0213261 -0.1770410 0.1546579 -0.1020103 -2.3513653 0.7427398 0.1025927 0.7032903 -1.3483988 38 O -1.6395954 -0.0944510 0.0746568 -0.2125096 -1.3780987 -0.4188457 0.1237811 -0.3430900 -1.4351979 39 O -1.3503207 -0.1020349 -0.1716103 -0.2477125 -1.4784122 -0.4742729 -0.2502695 -0.4383971 -1.4415467 40 O -1.3598407 -0.3689367 0.1184158 -0.3032259 -1.8288738 0.3715434 0.0658603 0.3645412 -1.3055742 41 O -1.6395954 -0.0944510 0.0746568 -0.2125096 -1.3780987 -0.4188457 0.1237811 -0.3430900 -1.4351979 42 O -1.0213261 0.1770410 0.1546579 0.1020103 -2.3513653 -0.7427398 0.1025927 -0.7032903 -1.3483988 43 O -0.9529581 -0.2506133 0.1705890 -0.1985939 -2.6781959 0.8616381 0.0614945 0.7117815 -1.4524165 44 O -1.3598407 0.3689367 0.1184158 0.3032259 -1.8288738 -0.3715434 0.0658603 -0.3645412 -1.3055742 45 O -0.9529581 -0.2506133 0.1705890 -0.1985939 -2.6781959 0.8616381 0.0614945 0.7117815 -1.4524165 46 O -1.0213261 -0.1770410 0.1546579 -0.1020103 -2.3513653 0.7427398 0.1025927 0.7032903 -1.3483988 47 O -1.2707500 0.3282887 0.0884740 0.2118681 -1.9486691 -0.4601861 0.1001635 -0.4602245 -1.2982776 48 O -1.2891229 -0.1055732 0.7333526 -0.1777461 -1.1041989 0.0001072 0.7527525 -0.0596557 -2.5611356 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 134 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 134 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 134), data: True |-- (500, 476), data: False |-- (500, 21), data: (500, 45) @ (45, 21) |-- (250, 229), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 19), data: (500, 43) @ (43, 19) |-- (250, 231), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 134), data: True |-- (500, 476), data: False |-- (500, 21), data: (500, 45) @ (45, 21) |-- (250, 229), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 19), data: (500, 43) @ (43, 19) |-- (250, 231), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 1440 - Time: 1.931 Solver_block: 200 / 1440 - Time: 1.970 Solver_block: 300 / 1440 - Time: 1.748 Solver_block: 400 / 1440 - Time: 1.745 Solver_block: 500 / 1440 - Time: 1.858 Solver_block: 600 / 1440 - Time: 1.989 Solver_block: 700 / 1440 - Time: 2.123 Solver_block: 800 / 1440 - Time: 2.017 Solver_block: 900 / 1440 - Time: 1.924 Solver_block: 1000 / 1440 - Time: 1.757 Solver_block: 1100 / 1440 - Time: 2.081 Solver_block: 1200 / 1440 - Time: 1.766 Solver_block: 1300 / 1440 - Time: 2.309 Solver_block: 1400 / 1440 - Time: 1.877 Solver_block: 1440 / 1440 - Time: 0.913 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.871 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 134 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 134 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 134), data: True |-- (500, 476), data: False |-- (500, 21), data: (500, 45) @ (45, 21) |-- (250, 229), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 19), data: (500, 43) @ (43, 19) |-- (250, 231), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 134), data: True |-- (500, 476), data: False |-- (500, 21), data: (500, 45) @ (45, 21) |-- (250, 229), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 19), data: (500, 43) @ (43, 19) |-- (250, 231), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:40:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:40:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.907159670002055 0.000000000000000 0.000000000000000 b 0.000000000000000 5.500980070000001 0.000000000000000 c -7.465329111644732 0.000000000000000 17.074411531503955 Atomic positions (fractional): 1 Cs 0.97536335276159 0.73079632408751 0.11431294794997 132.905 2 Cs 0.02463664723841 0.23079632408751 0.38568705205003 132.905 3 Cs 0.02463664723841 0.26920367591249 0.88568705205003 132.905 4 Cs 0.97536335276159 0.76920367591249 0.61431294794997 132.905 5 La 0.50574566498728 0.31442290545989 0.63764674744966 138.905 6 La 0.49425433501272 0.81442290545989 0.86235325255034 138.905 7 La 0.50574566498728 0.18557709454011 0.13764674744966 138.905 8 La 0.49425433501272 0.68557709454011 0.36235325255034 138.905 9 S 0.70488261325329 0.73391519005915 0.24689175953036 32.065 10 S 0.64995387658782 0.24347519116542 0.47787346064407 32.065 11 S 0.35004612341218 0.74347519116542 0.02212653935593 32.065 12 S 0.29511738674671 0.23391519005915 0.25310824046964 32.065 13 S 0.29511738674671 0.26608480994085 0.75310824046964 32.065 14 S 0.64995387658782 0.25652480883458 0.97787346064407 32.065 15 S 0.70488261325329 0.76608480994085 0.74689175953036 32.065 16 S 0.35004612341218 0.75652480883458 0.52212653935593 32.065 17 O 0.23821137701104 0.56180647177961 0.53770724998910 15.999 18 O 0.78084378460488 0.70859956322325 0.33338046747973 15.999 19 O 0.30247261415762 0.78107129795847 0.43703640650997 15.999 20 O 0.26479434605908 0.49135117488840 0.78943330600143 15.999 21 O 0.21915621539512 0.20859956322325 0.16661953252027 15.999 22 O 0.78814278865255 0.94635029643060 0.22392202488003 15.999 23 O 0.21915621539512 0.29140043677675 0.66661953252027 15.999 24 O 0.54655133936685 0.68466912780815 0.56482714146615 15.999 25 O 0.31324786148611 0.99341702412825 0.55185656957543 15.999 26 O 0.69752738584239 0.21892870204153 0.56296359349003 15.999 27 O 0.78084378460488 0.79140043677675 0.83338046747973 15.999 28 O 0.45344866063315 0.18466912780815 0.93517285853385 15.999 29 O 0.50118187698478 0.78573282318190 0.22003609030552 15.999 30 O 0.69752738584239 0.28107129795847 0.06296359349003 15.999 31 O 0.21185721134745 0.44635029643060 0.27607797511997 15.999 32 O 0.49881812301522 0.21426717681810 0.77996390969448 15.999 33 O 0.68675213851389 0.00658297587175 0.44814343042457 15.999 34 O 0.23821137701104 0.93819352822039 0.03770724998910 15.999 35 O 0.21185721134745 0.05364970356940 0.77607797511997 15.999 36 O 0.45344866063315 0.31533087219185 0.43517285853385 15.999 37 O 0.73520565394092 0.99135117488840 0.71056669399857 15.999 38 O 0.49881812301522 0.28573282318191 0.27996390969448 15.999 39 O 0.54655133936685 0.81533087219185 0.06482714146615 15.999 40 O 0.76178862298896 0.43819352822039 0.46229275001090 15.999 41 O 0.50118187698478 0.71426717681810 0.72003609030552 15.999 42 O 0.73520565394092 0.50864882511160 0.21056669399857 15.999 43 O 0.68675213851389 0.49341702412825 0.94814343042457 15.999 44 O 0.76178862298896 0.06180647177961 0.96229275001090 15.999 45 O 0.31324786148611 0.50658297587175 0.05185656957543 15.999 46 O 0.26479434605908 0.00864882511160 0.28943330600143 15.999 47 O 0.78814278865255 0.55364970356940 0.72392202488003 15.999 48 O 0.30247261415762 0.71892870204153 0.93703640650997 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.907159670002055 0.000000000000000 0.000000000000000 b 0.000000000000000 11.001960140000001 0.000000000000000 c -7.465329111644732 0.000000000000000 17.074411531503955 Atomic positions (fractional): 1 Cs 0.97536335276159 0.36539816204375 0.11431294794997 132.905 > 1 2 Cs 0.97536335276159 0.86539816204375 0.11431294794997 132.905 > 1 3 Cs 0.02463664723841 0.11539816204375 0.38568705205003 132.905 > 3 4 Cs 0.02463664723841 0.61539816204375 0.38568705205003 132.905 > 3 5 Cs 0.02463664723841 0.13460183795625 0.88568705205003 132.905 > 5 6 Cs 0.02463664723841 0.63460183795625 0.88568705205003 132.905 > 5 7 Cs 0.97536335276159 0.38460183795625 0.61431294794997 132.905 > 7 8 Cs 0.97536335276159 0.88460183795625 0.61431294794997 132.905 > 7 9 La 0.50574566498728 0.15721145272994 0.63764674744966 138.905 > 9 10 La 0.50574566498728 0.65721145272994 0.63764674744966 138.905 > 9 11 La 0.49425433501272 0.40721145272995 0.86235325255034 138.905 > 11 12 La 0.49425433501272 0.90721145272995 0.86235325255034 138.905 > 11 13 La 0.50574566498728 0.09278854727006 0.13764674744966 138.905 > 13 14 La 0.50574566498728 0.59278854727006 0.13764674744966 138.905 > 13 15 La 0.49425433501272 0.34278854727005 0.36235325255034 138.905 > 15 16 La 0.49425433501272 0.84278854727005 0.36235325255034 138.905 > 15 17 S 0.70488261325329 0.36695759502957 0.24689175953036 32.065 > 17 18 S 0.70488261325329 0.86695759502957 0.24689175953036 32.065 > 17 19 S 0.64995387658782 0.12173759558271 0.47787346064407 32.065 > 19 20 S 0.64995387658782 0.62173759558271 0.47787346064407 32.065 > 19 21 S 0.35004612341218 0.37173759558271 0.02212653935593 32.065 > 21 22 S 0.35004612341218 0.87173759558271 0.02212653935593 32.065 > 21 23 S 0.29511738674671 0.11695759502957 0.25310824046964 32.065 > 23 24 S 0.29511738674671 0.61695759502957 0.25310824046964 32.065 > 23 25 S 0.29511738674671 0.13304240497043 0.75310824046964 32.065 > 25 26 S 0.29511738674671 0.63304240497043 0.75310824046964 32.065 > 25 27 S 0.64995387658782 0.12826240441729 0.97787346064407 32.065 > 27 28 S 0.64995387658782 0.62826240441729 0.97787346064407 32.065 > 27 29 S 0.70488261325329 0.38304240497043 0.74689175953036 32.065 > 29 30 S 0.70488261325329 0.88304240497043 0.74689175953036 32.065 > 29 31 S 0.35004612341218 0.37826240441729 0.52212653935593 32.065 > 31 32 S 0.35004612341218 0.87826240441729 0.52212653935593 32.065 > 31 33 O 0.23821137701104 0.28090323588980 0.53770724998910 15.999 > 33 34 O 0.23821137701104 0.78090323588980 0.53770724998910 15.999 > 33 35 O 0.78084378460488 0.35429978161163 0.33338046747973 15.999 > 35 36 O 0.78084378460488 0.85429978161163 0.33338046747973 15.999 > 35 37 O 0.30247261415762 0.39053564897924 0.43703640650997 15.999 > 37 38 O 0.30247261415762 0.89053564897924 0.43703640650997 15.999 > 37 39 O 0.26479434605908 0.24567558744420 0.78943330600143 15.999 > 39 40 O 0.26479434605908 0.74567558744420 0.78943330600143 15.999 > 39 41 O 0.21915621539512 0.10429978161163 0.16661953252027 15.999 > 41 42 O 0.21915621539512 0.60429978161163 0.16661953252027 15.999 > 41 43 O 0.78814278865255 0.47317514821530 0.22392202488003 15.999 > 43 44 O 0.78814278865255 0.97317514821530 0.22392202488003 15.999 > 43 45 O 0.21915621539512 0.14570021838837 0.66661953252027 15.999 > 45 46 O 0.21915621539512 0.64570021838837 0.66661953252027 15.999 > 45 47 O 0.54655133936685 0.34233456390407 0.56482714146615 15.999 > 47 48 O 0.54655133936685 0.84233456390407 0.56482714146615 15.999 > 47 49 O 0.31324786148611 0.49670851206412 0.55185656957543 15.999 > 49 50 O 0.31324786148611 0.99670851206413 0.55185656957543 15.999 > 49 51 O 0.69752738584239 0.10946435102076 0.56296359349003 15.999 > 51 52 O 0.69752738584239 0.60946435102076 0.56296359349003 15.999 > 51 53 O 0.78084378460488 0.39570021838837 0.83338046747973 15.999 > 53 54 O 0.78084378460488 0.89570021838837 0.83338046747973 15.999 > 53 55 O 0.45344866063315 0.09233456390407 0.93517285853385 15.999 > 55 56 O 0.45344866063315 0.59233456390407 0.93517285853385 15.999 > 55 57 O 0.50118187698478 0.39286641159095 0.22003609030552 15.999 > 57 58 O 0.50118187698478 0.89286641159095 0.22003609030552 15.999 > 57 59 O 0.69752738584239 0.14053564897924 0.06296359349003 15.999 > 59 60 O 0.69752738584239 0.64053564897924 0.06296359349003 15.999 > 59 61 O 0.21185721134745 0.22317514821530 0.27607797511997 15.999 > 61 62 O 0.21185721134745 0.72317514821530 0.27607797511997 15.999 > 61 63 O 0.49881812301522 0.10713358840905 0.77996390969448 15.999 > 63 64 O 0.49881812301522 0.60713358840905 0.77996390969448 15.999 > 63 65 O 0.68675213851389 0.00329148793587 0.44814343042457 15.999 > 65 66 O 0.68675213851389 0.50329148793587 0.44814343042457 15.999 > 65 67 O 0.23821137701104 0.46909676411020 0.03770724998910 15.999 > 67 68 O 0.23821137701104 0.96909676411020 0.03770724998910 15.999 > 67 69 O 0.21185721134745 0.02682485178470 0.77607797511997 15.999 > 69 70 O 0.21185721134745 0.52682485178470 0.77607797511997 15.999 > 69 71 O 0.45344866063315 0.15766543609593 0.43517285853385 15.999 > 71 72 O 0.45344866063315 0.65766543609593 0.43517285853385 15.999 > 71 73 O 0.73520565394092 0.49567558744420 0.71056669399857 15.999 > 73 74 O 0.73520565394092 0.99567558744420 0.71056669399857 15.999 > 73 75 O 0.49881812301522 0.14286641159095 0.27996390969448 15.999 > 75 76 O 0.49881812301522 0.64286641159095 0.27996390969448 15.999 > 75 77 O 0.54655133936685 0.40766543609593 0.06482714146615 15.999 > 77 78 O 0.54655133936685 0.90766543609593 0.06482714146615 15.999 > 77 79 O 0.76178862298896 0.21909676411020 0.46229275001090 15.999 > 79 80 O 0.76178862298896 0.71909676411020 0.46229275001090 15.999 > 79 81 O 0.50118187698478 0.35713358840905 0.72003609030552 15.999 > 81 82 O 0.50118187698478 0.85713358840905 0.72003609030552 15.999 > 81 83 O 0.73520565394092 0.25432441255580 0.21056669399857 15.999 > 83 84 O 0.73520565394092 0.75432441255580 0.21056669399857 15.999 > 83 85 O 0.68675213851389 0.24670851206413 0.94814343042457 15.999 > 85 86 O 0.68675213851389 0.74670851206413 0.94814343042457 15.999 > 85 87 O 0.76178862298896 0.03090323588980 0.96229275001090 15.999 > 87 88 O 0.76178862298896 0.53090323588980 0.96229275001090 15.999 > 87 89 O 0.31324786148611 0.25329148793588 0.05185656957543 15.999 > 89 90 O 0.31324786148611 0.75329148793587 0.05185656957543 15.999 > 89 91 O 0.26479434605908 0.00432441255580 0.28943330600143 15.999 > 91 92 O 0.26479434605908 0.50432441255580 0.28943330600143 15.999 > 91 93 O 0.78814278865255 0.27682485178470 0.72392202488003 15.999 > 93 94 O 0.78814278865255 0.77682485178470 0.72392202488003 15.999 > 93 95 O 0.30247261415762 0.35946435102076 0.93703640650997 15.999 > 95 96 O 0.30247261415762 0.85946435102076 0.93703640650997 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6302002 0.0000000 -0.1321877 0.0000000 2.9421936 0.0000000 -0.1322108 0.0000000 2.8701391 -------------------------- Born effective charges -------------------------- 1 Cs 1.6615421 0.0634087 0.1302069 0.0775669 1.2807780 -0.0413577 0.1386090 -0.0218620 1.3363527 2 Cs 1.6615421 -0.0634087 0.1302069 -0.0775669 1.2807780 0.0413577 0.1386090 0.0218620 1.3363527 3 Cs 1.6615421 0.0634087 0.1302069 0.0775669 1.2807780 -0.0413577 0.1386090 -0.0218620 1.3363527 4 Cs 1.6615421 -0.0634087 0.1302069 -0.0775669 1.2807780 0.0413577 0.1386090 0.0218620 1.3363527 5 La 3.1994408 -0.0000144 -0.6094351 0.1448196 4.6660092 0.0355183 -0.6835173 0.0331152 4.2996657 6 La 3.1994408 0.0000144 -0.6094351 -0.1448196 4.6660092 -0.0355183 -0.6835173 -0.0331152 4.2996657 7 La 3.1994408 0.0000144 -0.6094351 -0.1448196 4.6660092 -0.0355183 -0.6835173 -0.0331152 4.2996657 8 La 3.1994408 -0.0000144 -0.6094351 0.1448196 4.6660092 0.0355183 -0.6835173 0.0331152 4.2996657 9 S 2.7239638 0.0112091 -0.3995651 -0.2677808 3.7865640 -0.0735954 -0.5230868 -0.0186844 3.4771918 10 S 2.6077495 0.0413488 -0.5958571 -0.4068226 4.0680005 -0.0293649 -0.3027091 -0.1461649 3.8229717 11 S 2.6077495 -0.0413488 -0.5958571 0.4068226 4.0680005 0.0293649 -0.3027091 0.1461649 3.8229717 12 S 2.7239638 -0.0112091 -0.3995651 0.2677808 3.7865640 0.0735954 -0.5230868 0.0186844 3.4771918 13 S 2.7239638 0.0112091 -0.3995651 -0.2677808 3.7865640 -0.0735954 -0.5230868 -0.0186844 3.4771918 14 S 2.6077495 -0.0413488 -0.5958571 0.4068226 4.0680005 0.0293649 -0.3027091 0.1461649 3.8229717 15 S 2.7239638 -0.0112091 -0.3995651 0.2677808 3.7865640 0.0735954 -0.5230868 0.0186844 3.4771918 16 S 2.6077495 0.0413488 -0.5958571 -0.4068226 4.0680005 -0.0293649 -0.3027091 -0.1461649 3.8229717 17 O -1.3598407 -0.3689367 0.1184158 -0.3032259 -1.8288738 0.3715434 0.0658603 0.3645412 -1.3055742 18 O -1.3087824 -0.0377053 0.3061147 0.0065438 -1.0335378 0.1735898 0.4143291 0.1448340 -2.0936346 19 O -1.2891229 0.1055732 0.7333526 0.1777461 -1.1041989 -0.0001072 0.7527525 0.0596557 -2.5611356 20 O -1.0213261 0.1770410 0.1546579 0.1020103 -2.3513653 -0.7427398 0.1025927 -0.7032903 -1.3483988 21 O -1.3087824 0.0377053 0.3061147 -0.0065438 -1.0335378 -0.1735898 0.4143291 -0.1448340 -2.0936346 22 O -1.2707500 -0.3282887 0.0884740 -0.2118681 -1.9486691 0.4601861 0.1001635 0.4602245 -1.2982776 23 O -1.3087824 -0.0377053 0.3061147 0.0065438 -1.0335378 0.1735898 0.4143291 0.1448340 -2.0936346 24 O -1.3503207 0.1020349 -0.1716103 0.2477125 -1.4784122 0.4742729 -0.2502695 0.4383971 -1.4415467 25 O -0.9529581 0.2506133 0.1705890 0.1985939 -2.6781959 -0.8616381 0.0614945 -0.7117815 -1.4524165 26 O -1.2891229 0.1055732 0.7333526 0.1777461 -1.1041989 -0.0001072 0.7527525 0.0596557 -2.5611356 27 O -1.3087824 0.0377053 0.3061147 -0.0065438 -1.0335378 -0.1735898 0.4143291 -0.1448340 -2.0936346 28 O -1.3503207 -0.1020349 -0.1716103 -0.2477125 -1.4784122 -0.4742729 -0.2502695 -0.4383971 -1.4415467 29 O -1.6395954 0.0944510 0.0746568 0.2125096 -1.3780987 0.4188457 0.1237811 0.3430900 -1.4351979 30 O -1.2891229 -0.1055732 0.7333526 -0.1777461 -1.1041989 0.0001072 0.7527525 -0.0596557 -2.5611356 31 O -1.2707500 0.3282887 0.0884740 0.2118681 -1.9486691 -0.4601861 0.1001635 -0.4602245 -1.2982776 32 O -1.6395954 0.0944510 0.0746568 0.2125096 -1.3780987 0.4188457 0.1237811 0.3430900 -1.4351979 33 O -0.9529581 0.2506133 0.1705890 0.1985939 -2.6781959 -0.8616381 0.0614945 -0.7117815 -1.4524165 34 O -1.3598407 0.3689367 0.1184158 0.3032259 -1.8288738 -0.3715434 0.0658603 -0.3645412 -1.3055742 35 O -1.2707500 -0.3282887 0.0884740 -0.2118681 -1.9486691 0.4601861 0.1001635 0.4602245 -1.2982776 36 O -1.3503207 0.1020349 -0.1716103 0.2477125 -1.4784122 0.4742729 -0.2502695 0.4383971 -1.4415467 37 O -1.0213261 -0.1770410 0.1546579 -0.1020103 -2.3513653 0.7427398 0.1025927 0.7032903 -1.3483988 38 O -1.6395954 -0.0944510 0.0746568 -0.2125096 -1.3780987 -0.4188457 0.1237811 -0.3430900 -1.4351979 39 O -1.3503207 -0.1020349 -0.1716103 -0.2477125 -1.4784122 -0.4742729 -0.2502695 -0.4383971 -1.4415467 40 O -1.3598407 -0.3689367 0.1184158 -0.3032259 -1.8288738 0.3715434 0.0658603 0.3645412 -1.3055742 41 O -1.6395954 -0.0944510 0.0746568 -0.2125096 -1.3780987 -0.4188457 0.1237811 -0.3430900 -1.4351979 42 O -1.0213261 0.1770410 0.1546579 0.1020103 -2.3513653 -0.7427398 0.1025927 -0.7032903 -1.3483988 43 O -0.9529581 -0.2506133 0.1705890 -0.1985939 -2.6781959 0.8616381 0.0614945 0.7117815 -1.4524165 44 O -1.3598407 0.3689367 0.1184158 0.3032259 -1.8288738 -0.3715434 0.0658603 -0.3645412 -1.3055742 45 O -0.9529581 -0.2506133 0.1705890 -0.1985939 -2.6781959 0.8616381 0.0614945 0.7117815 -1.4524165 46 O -1.0213261 -0.1770410 0.1546579 -0.1020103 -2.3513653 0.7427398 0.1025927 0.7032903 -1.3483988 47 O -1.2707500 0.3282887 0.0884740 0.2118681 -1.9486691 -0.4601861 0.1001635 -0.4602245 -1.2982776 48 O -1.2891229 -0.1055732 0.7333526 -0.1777461 -1.1041989 0.0001072 0.7527525 -0.0596557 -2.5611356 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 37, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 39, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 47, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (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 15:41:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:41:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.907159670002055 0.000000000000000 0.000000000000000 b 0.000000000000000 5.500980070000001 0.000000000000000 c -7.465329111644732 0.000000000000000 17.074411531503955 Atomic positions (fractional): 1 Cs 0.97536335276159 0.73079632408751 0.11431294794997 132.905 2 Cs 0.02463664723841 0.23079632408751 0.38568705205003 132.905 3 Cs 0.02463664723841 0.26920367591249 0.88568705205003 132.905 4 Cs 0.97536335276159 0.76920367591249 0.61431294794997 132.905 5 La 0.50574566498728 0.31442290545989 0.63764674744966 138.905 6 La 0.49425433501272 0.81442290545989 0.86235325255034 138.905 7 La 0.50574566498728 0.18557709454011 0.13764674744966 138.905 8 La 0.49425433501272 0.68557709454011 0.36235325255034 138.905 9 S 0.70488261325329 0.73391519005915 0.24689175953036 32.065 10 S 0.64995387658782 0.24347519116542 0.47787346064407 32.065 11 S 0.35004612341218 0.74347519116542 0.02212653935593 32.065 12 S 0.29511738674671 0.23391519005915 0.25310824046964 32.065 13 S 0.29511738674671 0.26608480994085 0.75310824046964 32.065 14 S 0.64995387658782 0.25652480883458 0.97787346064407 32.065 15 S 0.70488261325329 0.76608480994085 0.74689175953036 32.065 16 S 0.35004612341218 0.75652480883458 0.52212653935593 32.065 17 O 0.23821137701104 0.56180647177961 0.53770724998910 15.999 18 O 0.78084378460488 0.70859956322325 0.33338046747973 15.999 19 O 0.30247261415762 0.78107129795847 0.43703640650997 15.999 20 O 0.26479434605908 0.49135117488840 0.78943330600143 15.999 21 O 0.21915621539512 0.20859956322325 0.16661953252027 15.999 22 O 0.78814278865255 0.94635029643060 0.22392202488003 15.999 23 O 0.21915621539512 0.29140043677675 0.66661953252027 15.999 24 O 0.54655133936685 0.68466912780815 0.56482714146615 15.999 25 O 0.31324786148611 0.99341702412825 0.55185656957543 15.999 26 O 0.69752738584239 0.21892870204153 0.56296359349003 15.999 27 O 0.78084378460488 0.79140043677675 0.83338046747973 15.999 28 O 0.45344866063315 0.18466912780815 0.93517285853385 15.999 29 O 0.50118187698478 0.78573282318190 0.22003609030552 15.999 30 O 0.69752738584239 0.28107129795847 0.06296359349003 15.999 31 O 0.21185721134745 0.44635029643060 0.27607797511997 15.999 32 O 0.49881812301522 0.21426717681810 0.77996390969448 15.999 33 O 0.68675213851389 0.00658297587175 0.44814343042457 15.999 34 O 0.23821137701104 0.93819352822039 0.03770724998910 15.999 35 O 0.21185721134745 0.05364970356940 0.77607797511997 15.999 36 O 0.45344866063315 0.31533087219185 0.43517285853385 15.999 37 O 0.73520565394092 0.99135117488840 0.71056669399857 15.999 38 O 0.49881812301522 0.28573282318191 0.27996390969448 15.999 39 O 0.54655133936685 0.81533087219185 0.06482714146615 15.999 40 O 0.76178862298896 0.43819352822039 0.46229275001090 15.999 41 O 0.50118187698478 0.71426717681810 0.72003609030552 15.999 42 O 0.73520565394092 0.50864882511160 0.21056669399857 15.999 43 O 0.68675213851389 0.49341702412825 0.94814343042457 15.999 44 O 0.76178862298896 0.06180647177961 0.96229275001090 15.999 45 O 0.31324786148611 0.50658297587175 0.05185656957543 15.999 46 O 0.26479434605908 0.00864882511160 0.28943330600143 15.999 47 O 0.78814278865255 0.55364970356940 0.72392202488003 15.999 48 O 0.30247261415762 0.71892870204153 0.93703640650997 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.907159670002055 0.000000000000000 0.000000000000000 b 0.000000000000000 11.001960140000001 0.000000000000000 c -7.465329111644732 0.000000000000000 17.074411531503955 Atomic positions (fractional): 1 Cs 0.97536335276159 0.36539816204375 0.11431294794997 132.905 > 1 2 Cs 0.97536335276159 0.86539816204375 0.11431294794997 132.905 > 1 3 Cs 0.02463664723841 0.11539816204375 0.38568705205003 132.905 > 3 4 Cs 0.02463664723841 0.61539816204375 0.38568705205003 132.905 > 3 5 Cs 0.02463664723841 0.13460183795625 0.88568705205003 132.905 > 5 6 Cs 0.02463664723841 0.63460183795625 0.88568705205003 132.905 > 5 7 Cs 0.97536335276159 0.38460183795625 0.61431294794997 132.905 > 7 8 Cs 0.97536335276159 0.88460183795625 0.61431294794997 132.905 > 7 9 La 0.50574566498728 0.15721145272994 0.63764674744966 138.905 > 9 10 La 0.50574566498728 0.65721145272994 0.63764674744966 138.905 > 9 11 La 0.49425433501272 0.40721145272995 0.86235325255034 138.905 > 11 12 La 0.49425433501272 0.90721145272995 0.86235325255034 138.905 > 11 13 La 0.50574566498728 0.09278854727006 0.13764674744966 138.905 > 13 14 La 0.50574566498728 0.59278854727006 0.13764674744966 138.905 > 13 15 La 0.49425433501272 0.34278854727005 0.36235325255034 138.905 > 15 16 La 0.49425433501272 0.84278854727005 0.36235325255034 138.905 > 15 17 S 0.70488261325329 0.36695759502957 0.24689175953036 32.065 > 17 18 S 0.70488261325329 0.86695759502957 0.24689175953036 32.065 > 17 19 S 0.64995387658782 0.12173759558271 0.47787346064407 32.065 > 19 20 S 0.64995387658782 0.62173759558271 0.47787346064407 32.065 > 19 21 S 0.35004612341218 0.37173759558271 0.02212653935593 32.065 > 21 22 S 0.35004612341218 0.87173759558271 0.02212653935593 32.065 > 21 23 S 0.29511738674671 0.11695759502957 0.25310824046964 32.065 > 23 24 S 0.29511738674671 0.61695759502957 0.25310824046964 32.065 > 23 25 S 0.29511738674671 0.13304240497043 0.75310824046964 32.065 > 25 26 S 0.29511738674671 0.63304240497043 0.75310824046964 32.065 > 25 27 S 0.64995387658782 0.12826240441729 0.97787346064407 32.065 > 27 28 S 0.64995387658782 0.62826240441729 0.97787346064407 32.065 > 27 29 S 0.70488261325329 0.38304240497043 0.74689175953036 32.065 > 29 30 S 0.70488261325329 0.88304240497043 0.74689175953036 32.065 > 29 31 S 0.35004612341218 0.37826240441729 0.52212653935593 32.065 > 31 32 S 0.35004612341218 0.87826240441729 0.52212653935593 32.065 > 31 33 O 0.23821137701104 0.28090323588980 0.53770724998910 15.999 > 33 34 O 0.23821137701104 0.78090323588980 0.53770724998910 15.999 > 33 35 O 0.78084378460488 0.35429978161163 0.33338046747973 15.999 > 35 36 O 0.78084378460488 0.85429978161163 0.33338046747973 15.999 > 35 37 O 0.30247261415762 0.39053564897924 0.43703640650997 15.999 > 37 38 O 0.30247261415762 0.89053564897924 0.43703640650997 15.999 > 37 39 O 0.26479434605908 0.24567558744420 0.78943330600143 15.999 > 39 40 O 0.26479434605908 0.74567558744420 0.78943330600143 15.999 > 39 41 O 0.21915621539512 0.10429978161163 0.16661953252027 15.999 > 41 42 O 0.21915621539512 0.60429978161163 0.16661953252027 15.999 > 41 43 O 0.78814278865255 0.47317514821530 0.22392202488003 15.999 > 43 44 O 0.78814278865255 0.97317514821530 0.22392202488003 15.999 > 43 45 O 0.21915621539512 0.14570021838837 0.66661953252027 15.999 > 45 46 O 0.21915621539512 0.64570021838837 0.66661953252027 15.999 > 45 47 O 0.54655133936685 0.34233456390407 0.56482714146615 15.999 > 47 48 O 0.54655133936685 0.84233456390407 0.56482714146615 15.999 > 47 49 O 0.31324786148611 0.49670851206412 0.55185656957543 15.999 > 49 50 O 0.31324786148611 0.99670851206413 0.55185656957543 15.999 > 49 51 O 0.69752738584239 0.10946435102076 0.56296359349003 15.999 > 51 52 O 0.69752738584239 0.60946435102076 0.56296359349003 15.999 > 51 53 O 0.78084378460488 0.39570021838837 0.83338046747973 15.999 > 53 54 O 0.78084378460488 0.89570021838837 0.83338046747973 15.999 > 53 55 O 0.45344866063315 0.09233456390407 0.93517285853385 15.999 > 55 56 O 0.45344866063315 0.59233456390407 0.93517285853385 15.999 > 55 57 O 0.50118187698478 0.39286641159095 0.22003609030552 15.999 > 57 58 O 0.50118187698478 0.89286641159095 0.22003609030552 15.999 > 57 59 O 0.69752738584239 0.14053564897924 0.06296359349003 15.999 > 59 60 O 0.69752738584239 0.64053564897924 0.06296359349003 15.999 > 59 61 O 0.21185721134745 0.22317514821530 0.27607797511997 15.999 > 61 62 O 0.21185721134745 0.72317514821530 0.27607797511997 15.999 > 61 63 O 0.49881812301522 0.10713358840905 0.77996390969448 15.999 > 63 64 O 0.49881812301522 0.60713358840905 0.77996390969448 15.999 > 63 65 O 0.68675213851389 0.00329148793587 0.44814343042457 15.999 > 65 66 O 0.68675213851389 0.50329148793587 0.44814343042457 15.999 > 65 67 O 0.23821137701104 0.46909676411020 0.03770724998910 15.999 > 67 68 O 0.23821137701104 0.96909676411020 0.03770724998910 15.999 > 67 69 O 0.21185721134745 0.02682485178470 0.77607797511997 15.999 > 69 70 O 0.21185721134745 0.52682485178470 0.77607797511997 15.999 > 69 71 O 0.45344866063315 0.15766543609593 0.43517285853385 15.999 > 71 72 O 0.45344866063315 0.65766543609593 0.43517285853385 15.999 > 71 73 O 0.73520565394092 0.49567558744420 0.71056669399857 15.999 > 73 74 O 0.73520565394092 0.99567558744420 0.71056669399857 15.999 > 73 75 O 0.49881812301522 0.14286641159095 0.27996390969448 15.999 > 75 76 O 0.49881812301522 0.64286641159095 0.27996390969448 15.999 > 75 77 O 0.54655133936685 0.40766543609593 0.06482714146615 15.999 > 77 78 O 0.54655133936685 0.90766543609593 0.06482714146615 15.999 > 77 79 O 0.76178862298896 0.21909676411020 0.46229275001090 15.999 > 79 80 O 0.76178862298896 0.71909676411020 0.46229275001090 15.999 > 79 81 O 0.50118187698478 0.35713358840905 0.72003609030552 15.999 > 81 82 O 0.50118187698478 0.85713358840905 0.72003609030552 15.999 > 81 83 O 0.73520565394092 0.25432441255580 0.21056669399857 15.999 > 83 84 O 0.73520565394092 0.75432441255580 0.21056669399857 15.999 > 83 85 O 0.68675213851389 0.24670851206413 0.94814343042457 15.999 > 85 86 O 0.68675213851389 0.74670851206413 0.94814343042457 15.999 > 85 87 O 0.76178862298896 0.03090323588980 0.96229275001090 15.999 > 87 88 O 0.76178862298896 0.53090323588980 0.96229275001090 15.999 > 87 89 O 0.31324786148611 0.25329148793588 0.05185656957543 15.999 > 89 90 O 0.31324786148611 0.75329148793587 0.05185656957543 15.999 > 89 91 O 0.26479434605908 0.00432441255580 0.28943330600143 15.999 > 91 92 O 0.26479434605908 0.50432441255580 0.28943330600143 15.999 > 91 93 O 0.78814278865255 0.27682485178470 0.72392202488003 15.999 > 93 94 O 0.78814278865255 0.77682485178470 0.72392202488003 15.999 > 93 95 O 0.30247261415762 0.35946435102076 0.93703640650997 15.999 > 95 96 O 0.30247261415762 0.85946435102076 0.93703640650997 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6302002 0.0000000 -0.1321877 0.0000000 2.9421936 0.0000000 -0.1322108 0.0000000 2.8701391 -------------------------- Born effective charges -------------------------- 1 Cs 1.6615421 0.0634087 0.1302069 0.0775669 1.2807780 -0.0413577 0.1386090 -0.0218620 1.3363527 2 Cs 1.6615421 -0.0634087 0.1302069 -0.0775669 1.2807780 0.0413577 0.1386090 0.0218620 1.3363527 3 Cs 1.6615421 0.0634087 0.1302069 0.0775669 1.2807780 -0.0413577 0.1386090 -0.0218620 1.3363527 4 Cs 1.6615421 -0.0634087 0.1302069 -0.0775669 1.2807780 0.0413577 0.1386090 0.0218620 1.3363527 5 La 3.1994408 -0.0000144 -0.6094351 0.1448196 4.6660092 0.0355183 -0.6835173 0.0331152 4.2996657 6 La 3.1994408 0.0000144 -0.6094351 -0.1448196 4.6660092 -0.0355183 -0.6835173 -0.0331152 4.2996657 7 La 3.1994408 0.0000144 -0.6094351 -0.1448196 4.6660092 -0.0355183 -0.6835173 -0.0331152 4.2996657 8 La 3.1994408 -0.0000144 -0.6094351 0.1448196 4.6660092 0.0355183 -0.6835173 0.0331152 4.2996657 9 S 2.7239638 0.0112091 -0.3995651 -0.2677808 3.7865640 -0.0735954 -0.5230868 -0.0186844 3.4771918 10 S 2.6077495 0.0413488 -0.5958571 -0.4068226 4.0680005 -0.0293649 -0.3027091 -0.1461649 3.8229717 11 S 2.6077495 -0.0413488 -0.5958571 0.4068226 4.0680005 0.0293649 -0.3027091 0.1461649 3.8229717 12 S 2.7239638 -0.0112091 -0.3995651 0.2677808 3.7865640 0.0735954 -0.5230868 0.0186844 3.4771918 13 S 2.7239638 0.0112091 -0.3995651 -0.2677808 3.7865640 -0.0735954 -0.5230868 -0.0186844 3.4771918 14 S 2.6077495 -0.0413488 -0.5958571 0.4068226 4.0680005 0.0293649 -0.3027091 0.1461649 3.8229717 15 S 2.7239638 -0.0112091 -0.3995651 0.2677808 3.7865640 0.0735954 -0.5230868 0.0186844 3.4771918 16 S 2.6077495 0.0413488 -0.5958571 -0.4068226 4.0680005 -0.0293649 -0.3027091 -0.1461649 3.8229717 17 O -1.3598407 -0.3689367 0.1184158 -0.3032259 -1.8288738 0.3715434 0.0658603 0.3645412 -1.3055742 18 O -1.3087824 -0.0377053 0.3061147 0.0065438 -1.0335378 0.1735898 0.4143291 0.1448340 -2.0936346 19 O -1.2891229 0.1055732 0.7333526 0.1777461 -1.1041989 -0.0001072 0.7527525 0.0596557 -2.5611356 20 O -1.0213261 0.1770410 0.1546579 0.1020103 -2.3513653 -0.7427398 0.1025927 -0.7032903 -1.3483988 21 O -1.3087824 0.0377053 0.3061147 -0.0065438 -1.0335378 -0.1735898 0.4143291 -0.1448340 -2.0936346 22 O -1.2707500 -0.3282887 0.0884740 -0.2118681 -1.9486691 0.4601861 0.1001635 0.4602245 -1.2982776 23 O -1.3087824 -0.0377053 0.3061147 0.0065438 -1.0335378 0.1735898 0.4143291 0.1448340 -2.0936346 24 O -1.3503207 0.1020349 -0.1716103 0.2477125 -1.4784122 0.4742729 -0.2502695 0.4383971 -1.4415467 25 O -0.9529581 0.2506133 0.1705890 0.1985939 -2.6781959 -0.8616381 0.0614945 -0.7117815 -1.4524165 26 O -1.2891229 0.1055732 0.7333526 0.1777461 -1.1041989 -0.0001072 0.7527525 0.0596557 -2.5611356 27 O -1.3087824 0.0377053 0.3061147 -0.0065438 -1.0335378 -0.1735898 0.4143291 -0.1448340 -2.0936346 28 O -1.3503207 -0.1020349 -0.1716103 -0.2477125 -1.4784122 -0.4742729 -0.2502695 -0.4383971 -1.4415467 29 O -1.6395954 0.0944510 0.0746568 0.2125096 -1.3780987 0.4188457 0.1237811 0.3430900 -1.4351979 30 O -1.2891229 -0.1055732 0.7333526 -0.1777461 -1.1041989 0.0001072 0.7527525 -0.0596557 -2.5611356 31 O -1.2707500 0.3282887 0.0884740 0.2118681 -1.9486691 -0.4601861 0.1001635 -0.4602245 -1.2982776 32 O -1.6395954 0.0944510 0.0746568 0.2125096 -1.3780987 0.4188457 0.1237811 0.3430900 -1.4351979 33 O -0.9529581 0.2506133 0.1705890 0.1985939 -2.6781959 -0.8616381 0.0614945 -0.7117815 -1.4524165 34 O -1.3598407 0.3689367 0.1184158 0.3032259 -1.8288738 -0.3715434 0.0658603 -0.3645412 -1.3055742 35 O -1.2707500 -0.3282887 0.0884740 -0.2118681 -1.9486691 0.4601861 0.1001635 0.4602245 -1.2982776 36 O -1.3503207 0.1020349 -0.1716103 0.2477125 -1.4784122 0.4742729 -0.2502695 0.4383971 -1.4415467 37 O -1.0213261 -0.1770410 0.1546579 -0.1020103 -2.3513653 0.7427398 0.1025927 0.7032903 -1.3483988 38 O -1.6395954 -0.0944510 0.0746568 -0.2125096 -1.3780987 -0.4188457 0.1237811 -0.3430900 -1.4351979 39 O -1.3503207 -0.1020349 -0.1716103 -0.2477125 -1.4784122 -0.4742729 -0.2502695 -0.4383971 -1.4415467 40 O -1.3598407 -0.3689367 0.1184158 -0.3032259 -1.8288738 0.3715434 0.0658603 0.3645412 -1.3055742 41 O -1.6395954 -0.0944510 0.0746568 -0.2125096 -1.3780987 -0.4188457 0.1237811 -0.3430900 -1.4351979 42 O -1.0213261 0.1770410 0.1546579 0.1020103 -2.3513653 -0.7427398 0.1025927 -0.7032903 -1.3483988 43 O -0.9529581 -0.2506133 0.1705890 -0.1985939 -2.6781959 0.8616381 0.0614945 0.7117815 -1.4524165 44 O -1.3598407 0.3689367 0.1184158 0.3032259 -1.8288738 -0.3715434 0.0658603 -0.3645412 -1.3055742 45 O -0.9529581 -0.2506133 0.1705890 -0.1985939 -2.6781959 0.8616381 0.0614945 0.7117815 -1.4524165 46 O -1.0213261 -0.1770410 0.1546579 -0.1020103 -2.3513653 0.7427398 0.1025927 0.7032903 -1.3483988 47 O -1.2707500 0.3282887 0.0884740 0.2118681 -1.9486691 -0.4601861 0.1001635 -0.4602245 -1.2982776 48 O -1.2891229 -0.1055732 0.7333526 -0.1777461 -1.1041989 0.0001072 0.7527525 -0.0596557 -2.5611356 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 309, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/55) ======================= 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 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 1.123 ( 0.000 0.000 0.000) 0.000 1.140 ( 0.000 0.000 0.000) 0.000 1.334 ( 0.000 0.000 0.000) 0.000 1.359 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.611 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 12.394 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.559 ( 0.000 0.000 0.000) 0.000 12.701 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.343 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.534 ( 0.000 0.000 0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.281 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.011 ( 0.000 0.000 0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 17.148 ( 0.000 0.000 0.000) 0.000 17.216 ( 0.000 0.000 0.000) 0.000 17.243 ( 0.000 0.000 0.000) 0.000 17.265 ( 0.000 0.000 0.000) 0.000 17.384 ( 0.000 0.000 0.000) 0.000 17.418 ( 0.000 0.000 0.000) 0.000 17.441 ( 0.000 0.000 0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 17.547 ( 0.000 0.000 0.000) 0.000 17.724 ( 0.000 0.000 0.000) 0.000 17.728 ( 0.000 0.000 0.000) 0.000 17.795 ( 0.000 0.000 0.000) 0.000 17.974 ( 0.000 0.000 0.000) 0.000 18.326 ( 0.000 0.000 0.000) 0.000 18.346 ( 0.000 0.000 0.000) 0.000 18.431 ( 0.000 0.000 0.000) 0.000 18.597 ( 0.000 0.000 0.000) 0.000 18.657 ( 0.000 0.000 0.000) 0.000 18.717 ( 0.000 0.000 0.000) 0.000 18.779 ( 0.000 0.000 0.000) 0.000 18.890 ( 0.000 0.000 0.000) 0.000 27.808 ( 0.000 0.000 0.000) 0.000 27.808 ( 0.000 0.000 0.000) 0.000 27.851 ( 0.000 0.000 0.000) 0.000 27.858 ( 0.000 0.000 0.000) 0.000 28.312 ( 0.000 0.000 0.000) 0.000 28.316 ( 0.000 0.000 0.000) 0.000 28.384 ( 0.000 0.000 0.000) 0.000 28.390 ( 0.000 0.000 0.000) 0.000 30.405 ( 0.000 0.000 0.000) 0.000 30.424 ( 0.000 0.000 0.000) 0.000 30.750 ( 0.000 0.000 0.000) 0.000 30.900 ( 0.000 0.000 0.000) 0.000 31.113 ( 0.000 0.000 0.000) 0.000 31.175 ( 0.000 0.000 0.000) 0.000 31.221 ( 0.000 0.000 0.000) 0.000 31.275 ( 0.000 0.000 0.000) 0.000 31.640 ( 0.000 0.000 0.000) 0.000 31.665 ( 0.000 0.000 0.000) 0.000 31.781 ( 0.000 0.000 0.000) 0.000 31.968 ( 0.000 0.000 0.000) 0.000 32.147 ( 0.000 0.000 0.000) 0.000 32.195 ( 0.000 0.000 0.000) 0.000 32.212 ( 0.000 0.000 0.000) 0.000 32.228 ( 0.000 0.000 0.000) 0.000 32.275 ( 0.000 0.000 0.000) 0.000 32.449 ( 0.000 0.000 0.000) 0.000 32.505 ( 0.000 0.000 0.000) 0.000 32.801 ( 0.000 0.000 0.000) 0.000 32.959 ( 0.000 0.000 0.000) 0.000 34.257 ( 0.000 0.000 0.000) 0.000 34.462 ( 0.000 0.000 0.000) 0.000 34.618 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/55) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 9.157 0.000 24.887) 26.518 0.405 ( 15.461 0.000 14.254) 21.029 0.453 ( 26.837 0.000 -8.891) 28.271 1.104 ( -9.174 0.000 14.488) 17.148 1.134 ( 6.938 0.000 -18.270) 19.542 1.199 ( 0.649 0.000 -14.711) 14.726 1.445 ( 0.428 0.000 0.678) 0.802 1.488 ( -1.694 0.000 -1.270) 2.117 1.518 ( 4.045 0.000 6.791) 7.904 1.533 ( -10.668 0.000 -6.353) 12.416 1.641 ( -1.226 0.000 5.814) 5.942 1.666 ( 5.729 0.000 -4.970) 7.585 1.717 ( 1.641 0.000 1.333) 2.114 1.724 ( -5.226 0.000 1.045) 5.329 1.833 ( -3.195 0.000 12.122) 12.536 1.864 ( -0.019 0.000 6.336) 6.336 1.876 ( 3.132 0.000 1.768) 3.597 2.008 ( -2.268 0.000 -7.459) 7.797 2.094 ( 3.420 0.000 -2.041) 3.982 2.283 ( 3.663 0.000 -9.321) 10.015 2.372 ( -0.113 0.000 -3.595) 3.597 2.523 ( 5.930 0.000 9.182) 10.931 2.608 ( -6.045 0.000 1.538) 6.237 2.728 ( 3.412 0.000 -4.312) 5.499 3.354 ( 1.018 0.000 1.686) 1.969 3.374 ( -0.389 0.000 -5.888) 5.901 3.513 ( 2.387 0.000 1.679) 2.918 3.605 ( 1.416 0.000 0.258) 1.440 3.687 ( 1.280 0.000 -2.871) 3.144 3.790 ( -1.680 0.000 1.528) 2.271 3.922 ( -1.501 0.000 -0.376) 1.547 3.960 ( -0.392 0.000 1.928) 1.967 4.127 ( 4.003 0.000 0.417) 4.025 4.142 ( -2.421 0.000 -2.937) 3.806 4.245 ( 3.714 0.000 0.330) 3.729 4.283 ( 0.630 0.000 -1.802) 1.909 4.286 ( -2.888 0.000 2.722) 3.968 4.452 ( -0.422 0.000 1.610) 1.665 4.458 ( 4.503 0.000 -0.310) 4.514 4.512 ( 2.069 0.000 2.438) 3.198 4.519 ( 0.839 0.000 -0.158) 0.854 4.611 ( 2.227 0.000 0.062) 2.228 4.619 ( -1.290 0.000 -2.579) 2.884 4.760 ( -1.150 0.000 0.754) 1.375 4.795 ( -1.876 0.000 -0.959) 2.107 4.800 ( -0.655 0.000 -0.211) 0.688 4.931 ( -2.837 0.000 0.102) 2.839 5.043 ( -1.003 0.000 1.420) 1.738 5.081 ( -1.861 0.000 -0.312) 1.887 5.133 ( -3.835 0.000 13.878) 14.398 5.160 ( 1.523 0.000 0.010) 1.523 5.202 ( -0.673 0.000 -0.305) 0.739 5.258 ( 1.921 0.000 -0.148) 1.926 5.338 ( -0.657 0.000 0.900) 1.115 5.361 ( -1.145 0.000 -1.067) 1.565 5.397 ( -0.545 0.000 -1.861) 1.939 5.547 ( 0.888 0.000 -0.195) 0.909 5.711 ( -6.064 0.000 1.682) 6.293 5.726 ( 0.055 0.000 -0.217) 0.224 5.733 ( 0.104 0.000 1.479) 1.483 5.878 ( -1.146 0.000 -2.362) 2.625 5.968 ( 1.825 0.000 1.482) 2.351 6.177 ( -4.114 0.000 -5.336) 6.738 6.236 ( -5.905 0.000 1.943) 6.216 6.277 ( 0.300 0.000 -1.225) 1.262 6.278 ( -7.773 0.000 9.188) 12.035 6.427 ( 8.179 0.000 -13.386) 15.687 6.573 ( 6.259 0.000 -3.317) 7.083 6.592 ( -3.408 0.000 4.948) 6.008 6.778 ( 8.978 0.000 -0.906) 9.023 6.831 ( -5.252 0.000 1.648) 5.505 7.108 ( -10.547 0.000 6.443) 12.360 12.351 ( -0.783 0.000 0.054) 0.785 12.383 ( -1.051 0.000 -0.104) 1.056 12.489 ( 0.972 0.000 0.476) 1.082 12.567 ( 0.605 0.000 -0.461) 0.761 12.709 ( 0.423 0.000 1.269) 1.338 12.718 ( -0.518 0.000 -0.605) 0.796 13.033 ( 0.648 0.000 0.550) 0.849 13.048 ( 0.143 0.000 -0.632) 0.648 13.343 ( 1.513 0.000 0.436) 1.575 13.352 ( 1.165 0.000 -0.415) 1.237 13.486 ( -0.898 0.000 -0.159) 0.912 13.515 ( -1.944 0.000 0.870) 2.129 13.660 ( 1.494 0.000 0.293) 1.522 13.901 ( 0.771 0.000 -0.381) 0.860 14.097 ( -0.472 0.000 2.003) 2.058 14.266 ( -1.267 0.000 -1.023) 1.628 16.991 ( -1.640 0.000 -0.821) 1.834 17.014 ( -2.257 0.000 3.464) 4.134 17.058 ( 0.729 0.000 0.340) 0.805 17.146 ( 0.118 0.000 -0.812) 0.820 17.209 ( 0.083 0.000 -2.693) 2.694 17.222 ( -2.203 0.000 1.028) 2.431 17.271 ( 0.611 0.000 0.078) 0.616 17.383 ( 0.144 0.000 -0.530) 0.550 17.431 ( -0.016 0.000 2.218) 2.218 17.462 ( 0.414 0.000 -2.761) 2.792 17.529 ( -0.736 0.000 -0.165) 0.755 17.559 ( 1.238 0.000 0.219) 1.257 17.729 ( 0.489 0.000 -0.048) 0.492 17.733 ( 0.466 0.000 0.081) 0.473 17.805 ( -2.147 0.000 3.931) 4.479 17.956 ( -3.338 0.000 1.095) 3.513 18.336 ( 0.295 0.000 -0.580) 0.651 18.420 ( -1.177 0.000 0.318) 1.219 18.523 ( 2.328 0.000 -3.442) 4.155 18.596 ( 1.165 0.000 -2.885) 3.112 18.732 ( 1.599 0.000 -1.020) 1.897 18.792 ( 1.042 0.000 0.631) 1.218 18.854 ( -1.705 0.000 -0.128) 1.709 18.955 ( 2.601 0.000 2.027) 3.297 27.802 ( -0.561 0.000 0.052) 0.564 27.805 ( -0.234 0.000 -0.147) 0.276 27.870 ( 1.110 0.000 -0.063) 1.112 27.891 ( 0.192 0.000 -0.202) 0.279 28.311 ( -0.117 0.000 -0.099) 0.153 28.315 ( -0.313 0.000 0.177) 0.359 28.386 ( 0.046 0.000 0.223) 0.228 28.390 ( 0.091 0.000 -0.266) 0.281 30.430 ( 3.125 0.000 -1.306) 3.387 30.733 ( -0.949 0.000 4.070) 4.179 30.762 ( 0.830 0.000 0.661) 1.061 30.871 ( -1.367 0.000 -2.857) 3.168 31.133 ( 0.569 0.000 2.902) 2.957 31.150 ( -3.767 0.000 2.996) 4.813 31.230 ( 1.401 0.000 -1.731) 2.226 31.283 ( 0.800 0.000 -0.050) 0.802 31.677 ( 2.541 0.000 2.686) 3.698 31.777 ( 2.622 0.000 -6.637) 7.136 31.918 ( 13.396 0.000 -25.891) 29.151 31.958 ( -0.472 0.000 -1.122) 1.218 32.165 ( 4.417 0.000 -6.072) 7.508 32.201 ( 0.605 0.000 0.423) 0.738 32.235 ( 1.827 0.000 -2.589) 3.169 32.296 ( 2.215 0.000 -0.320) 2.238 32.424 ( -1.466 0.000 0.066) 1.468 32.509 ( 0.598 0.000 0.116) 0.609 32.867 ( 5.892 0.000 2.455) 6.383 32.933 ( -15.346 0.000 35.124) 38.330 33.000 ( 3.643 0.000 2.232) 4.272 34.153 ( -12.759 0.000 6.240) 14.203 34.427 ( -7.605 0.000 2.343) 7.958 34.514 ( -13.087 0.000 0.364) 13.092 ======================= Grid point 2 (3/55) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 7.815 0.000 19.850) 21.333 0.760 ( 13.378 0.000 -9.044) 16.149 0.770 ( 12.178 0.000 13.415) 18.118 1.040 ( -6.992 0.000 5.866) 9.127 1.069 ( 1.766 0.000 -15.383) 15.484 1.200 ( 11.814 0.000 -12.106) 16.915 1.275 ( -10.744 0.000 -4.929) 11.821 1.408 ( -2.902 0.000 -1.305) 3.182 1.460 ( -1.033 0.000 -1.043) 1.468 1.607 ( -6.894 0.000 3.966) 7.953 1.667 ( 5.043 0.000 8.586) 9.957 1.672 ( -4.051 0.000 -3.136) 5.123 1.689 ( -2.346 0.000 -1.150) 2.613 1.722 ( 3.131 0.000 4.516) 5.495 1.882 ( -0.062 0.000 -0.358) 0.364 1.918 ( 0.928 0.000 12.621) 12.655 1.971 ( 2.561 0.000 6.554) 7.036 2.022 ( 9.001 0.000 -6.519) 11.114 2.137 ( 2.267 0.000 -1.546) 2.744 2.295 ( 8.885 0.000 -13.494) 16.157 2.324 ( -2.410 0.000 -3.403) 4.170 2.466 ( -9.811 0.000 -1.123) 9.875 2.649 ( -1.123 0.000 9.190) 9.258 2.765 ( 4.652 0.000 -5.226) 6.997 3.322 ( -0.665 0.000 -4.174) 4.227 3.381 ( 0.238 0.000 1.790) 1.806 3.575 ( 3.363 0.000 0.357) 3.382 3.654 ( 3.160 0.000 1.168) 3.369 3.685 ( -0.321 0.000 -0.173) 0.364 3.776 ( -1.081 0.000 1.445) 1.805 3.877 ( -2.616 0.000 -1.083) 2.831 3.970 ( -0.375 0.000 2.307) 2.337 4.051 ( -3.460 0.000 -4.392) 5.591 4.218 ( 4.630 0.000 1.264) 4.799 4.257 ( -2.887 0.000 2.817) 4.033 4.299 ( 2.281 0.000 -1.257) 2.605 4.315 ( 2.618 0.000 1.361) 2.950 4.483 ( 1.835 0.000 2.380) 3.006 4.513 ( 0.878 0.000 -0.102) 0.884 4.561 ( 1.867 0.000 1.198) 2.218 4.577 ( 2.266 0.000 2.553) 3.413 4.577 ( 0.325 0.000 -1.506) 1.541 4.653 ( 2.431 0.000 -0.134) 2.435 4.693 ( -2.089 0.000 -1.028) 2.328 4.783 ( -0.735 0.000 -0.885) 1.150 4.802 ( 1.980 0.000 -2.726) 3.370 4.866 ( -3.654 0.000 -0.556) 3.696 4.996 ( -2.265 0.000 0.480) 2.315 5.091 ( 0.595 0.000 1.562) 1.672 5.167 ( -0.235 0.000 -0.329) 0.404 5.176 ( -1.171 0.000 3.779) 3.956 5.194 ( -1.499 0.000 7.306) 7.458 5.250 ( -4.134 0.000 -2.460) 4.810 5.322 ( 0.400 0.000 -6.310) 6.323 5.403 ( 1.339 0.000 2.345) 2.700 5.405 ( 6.841 0.000 5.557) 8.814 5.550 ( 1.285 0.000 -4.764) 4.934 5.604 ( -7.984 0.000 5.875) 9.912 5.711 ( -0.187 0.000 -1.889) 1.898 5.760 ( 0.461 0.000 2.120) 2.170 5.835 ( -1.414 0.000 -2.500) 2.872 5.932 ( -5.273 0.000 -4.242) 6.768 6.093 ( -9.831 0.000 0.040) 9.831 6.125 ( 2.035 0.000 -2.503) 3.226 6.206 ( -6.494 0.000 7.402) 9.847 6.279 ( 0.275 0.000 0.241) 0.366 6.465 ( 3.813 0.000 -4.462) 5.869 6.577 ( -1.777 0.000 2.391) 2.980 6.661 ( 6.172 0.000 -5.108) 8.011 6.774 ( -3.472 0.000 4.285) 5.515 6.879 ( -17.060 0.000 2.672) 17.268 6.924 ( 6.927 0.000 0.051) 6.927 12.335 ( -0.942 0.000 -0.001) 0.942 12.363 ( -0.955 0.000 -0.054) 0.956 12.518 ( 1.483 0.000 1.099) 1.845 12.564 ( -0.231 0.000 -0.967) 0.994 12.698 ( -0.983 0.000 -1.117) 1.488 12.734 ( 0.798 0.000 1.727) 1.903 13.046 ( 0.179 0.000 -0.638) 0.663 13.053 ( 0.837 0.000 0.690) 1.085 13.374 ( 1.424 0.000 -0.286) 1.453 13.380 ( 1.970 0.000 0.395) 2.009 13.459 ( -1.580 0.000 -0.685) 1.722 13.492 ( -1.381 0.000 1.460) 2.010 13.684 ( 1.092 0.000 -0.562) 1.228 13.921 ( 1.527 0.000 -0.065) 1.528 14.103 ( -0.780 0.000 2.333) 2.460 14.228 ( -1.599 0.000 -1.464) 2.168 16.952 ( -1.630 0.000 -0.908) 1.866 17.000 ( -1.286 0.000 1.274) 1.810 17.077 ( 0.841 0.000 0.768) 1.139 17.138 ( -0.163 0.000 -1.102) 1.114 17.186 ( -0.657 0.000 -1.557) 1.690 17.194 ( -1.713 0.000 1.293) 2.146 17.285 ( 0.710 0.000 0.211) 0.740 17.385 ( 0.735 0.000 -0.696) 1.013 17.439 ( -1.243 0.000 2.569) 2.854 17.444 ( -0.497 0.000 -1.345) 1.434 17.523 ( 0.340 0.000 -0.258) 0.427 17.590 ( 1.822 0.000 0.039) 1.822 17.737 ( 0.430 0.000 -0.185) 0.469 17.744 ( 0.608 0.000 0.141) 0.624 17.792 ( -2.049 0.000 2.306) 3.085 17.868 ( -5.187 0.000 -1.421) 5.378 18.365 ( 1.593 0.000 2.358) 2.846 18.400 ( -1.133 0.000 0.282) 1.167 18.538 ( 1.365 0.000 -1.437) 1.982 18.593 ( 1.523 0.000 -3.951) 4.235 18.746 ( 0.334 0.000 0.021) 0.335 18.816 ( 1.402 0.000 -0.992) 1.717 18.831 ( -0.768 0.000 -0.087) 0.773 19.016 ( 2.362 0.000 1.501) 2.799 27.794 ( -0.270 0.000 0.069) 0.279 27.799 ( -0.294 0.000 -0.193) 0.352 27.891 ( 1.061 0.000 0.127) 1.069 27.894 ( 0.247 0.000 -0.289) 0.381 28.306 ( -0.281 0.000 -0.131) 0.310 28.311 ( -0.270 0.000 0.158) 0.313 28.389 ( 0.064 0.000 -0.355) 0.361 28.390 ( 0.223 0.000 0.234) 0.323 30.483 ( 3.423 0.000 -1.295) 3.659 30.753 ( 0.444 0.000 1.633) 1.692 30.785 ( 0.937 0.000 0.724) 1.184 30.825 ( -1.016 0.000 -2.495) 2.694 31.102 ( -3.161 0.000 1.324) 3.427 31.167 ( 0.504 0.000 2.871) 2.914 31.240 ( 1.050 0.000 -1.394) 1.745 31.300 ( 0.926 0.000 0.078) 0.929 31.754 ( 2.854 0.000 3.313) 4.372 31.775 ( 2.143 0.000 -4.834) 5.287 31.939 ( -0.738 0.000 -0.660) 0.990 31.961 ( 3.129 0.000 -1.516) 3.477 32.202 ( 5.683 0.000 -8.292) 10.052 32.224 ( 1.384 0.000 0.614) 1.514 32.247 ( 1.556 0.000 -2.418) 2.876 32.332 ( 1.532 0.000 -0.400) 1.584 32.389 ( -2.363 0.000 0.009) 2.363 32.545 ( 3.955 0.000 -0.156) 3.958 32.935 ( -6.202 0.000 14.612) 15.873 33.036 ( 8.995 0.000 4.982) 10.283 33.125 ( 7.654 0.000 2.874) 8.176 33.942 ( -16.309 0.000 7.829) 18.091 34.149 ( -21.361 0.000 -7.952) 22.793 34.263 ( -11.328 0.000 1.088) 11.381 ======================= Grid point 3 (4/55) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 2.139 0.000 -2.779) 3.506 0.915 ( -2.683 0.000 -2.973) 4.005 0.962 ( 5.522 0.000 7.794) 9.552 0.998 ( -1.363 0.000 5.584) 5.748 1.056 ( 3.201 0.000 -3.543) 4.775 1.132 ( 0.221 0.000 1.396) 1.413 1.309 ( 4.806 0.000 -5.975) 7.668 1.351 ( -2.213 0.000 -0.755) 2.338 1.445 ( 0.234 0.000 0.055) 0.240 1.533 ( -5.566 0.000 -4.613) 7.229 1.540 ( -2.218 0.000 2.478) 3.325 1.651 ( -1.383 0.000 0.373) 1.433 1.804 ( 2.839 0.000 4.841) 5.612 1.832 ( 1.470 0.000 1.169) 1.879 1.926 ( 11.049 0.000 -0.561) 11.063 2.027 ( 1.295 0.000 8.213) 8.314 2.045 ( 1.038 0.000 3.016) 3.190 2.084 ( 1.889 0.000 -5.067) 5.408 2.148 ( 0.240 0.000 -0.659) 0.702 2.185 ( -13.814 0.000 0.588) 13.827 2.300 ( -3.034 0.000 -3.496) 4.629 2.435 ( 17.232 0.000 -13.965) 22.180 2.613 ( -11.545 0.000 11.147) 16.048 2.801 ( 2.323 0.000 -2.569) 3.464 3.290 ( -0.283 0.000 -1.411) 1.440 3.391 ( -0.139 0.000 0.733) 0.746 3.632 ( 2.923 0.000 -0.610) 2.986 3.669 ( -1.698 0.000 0.612) 1.805 3.714 ( 1.740 0.000 1.018) 2.016 3.772 ( -0.239 0.000 0.214) 0.321 3.829 ( -1.375 0.000 -0.668) 1.528 3.979 ( -0.110 0.000 0.983) 0.990 3.981 ( -1.200 0.000 -1.721) 2.099 4.224 ( -2.089 0.000 1.460) 2.549 4.285 ( 1.667 0.000 0.035) 1.667 4.328 ( 1.895 0.000 -1.781) 2.601 4.348 ( -0.406 0.000 1.998) 2.039 4.519 ( 1.424 0.000 -0.233) 1.443 4.544 ( 2.433 0.000 1.757) 3.001 4.554 ( -1.940 0.000 0.870) 2.126 4.604 ( -0.389 0.000 0.005) 0.389 4.613 ( 1.461 0.000 -0.321) 1.496 4.694 ( 0.538 0.000 1.139) 1.259 4.697 ( 1.594 0.000 0.530) 1.680 4.764 ( -0.404 0.000 -0.736) 0.839 4.812 ( -1.538 0.000 -0.393) 1.588 4.826 ( 2.868 0.000 -2.538) 3.830 4.986 ( 0.605 0.000 -1.029) 1.194 5.110 ( -0.174 0.000 0.678) 0.700 5.126 ( -4.207 0.000 1.256) 4.390 5.164 ( -0.468 0.000 -0.299) 0.555 5.196 ( 1.714 0.000 -0.868) 1.921 5.240 ( -1.962 0.000 9.843) 10.037 5.281 ( 1.242 0.000 -7.850) 7.948 5.476 ( 3.750 0.000 1.276) 3.962 5.514 ( -1.107 0.000 -1.432) 1.810 5.551 ( -2.391 0.000 3.044) 3.871 5.573 ( 4.190 0.000 7.377) 8.484 5.680 ( -1.066 0.000 -5.584) 5.684 5.756 ( -0.189 0.000 -1.500) 1.512 5.785 ( -2.990 0.000 -0.004) 2.990 5.791 ( -4.907 0.000 -3.287) 5.906 5.965 ( -3.032 0.000 1.449) 3.361 6.115 ( -1.058 0.000 -0.663) 1.248 6.200 ( 0.007 0.000 2.570) 2.570 6.289 ( 0.343 0.000 0.731) 0.808 6.490 ( 1.220 0.000 -1.000) 1.578 6.564 ( -0.743 0.000 0.584) 0.945 6.580 ( -8.271 0.000 -3.748) 9.080 6.739 ( 1.006 0.000 -0.003) 1.006 6.768 ( -0.852 0.000 1.865) 2.050 7.013 ( 2.534 0.000 0.112) 2.537 12.322 ( -0.410 0.000 -0.017) 0.410 12.350 ( -0.353 0.000 -0.002) 0.353 12.552 ( 0.958 0.000 0.847) 1.278 12.552 ( -0.243 0.000 -0.472) 0.531 12.671 ( -0.748 0.000 -0.832) 1.118 12.755 ( 0.329 0.000 0.712) 0.785 13.045 ( 0.097 0.000 -0.270) 0.287 13.069 ( 0.384 0.000 0.312) 0.495 13.397 ( 1.170 0.000 0.084) 1.173 13.407 ( 0.676 0.000 -0.035) 0.677 13.425 ( -1.377 0.000 -0.587) 1.497 13.491 ( -0.089 0.000 1.072) 1.076 13.690 ( 0.187 0.000 -0.496) 0.530 13.945 ( 0.863 0.000 0.008) 0.863 14.105 ( -0.452 0.000 1.036) 1.130 14.196 ( -0.728 0.000 -0.683) 0.998 16.926 ( -0.584 0.000 -0.379) 0.696 16.990 ( -0.436 0.000 0.313) 0.537 17.096 ( 0.470 0.000 0.532) 0.710 17.127 ( -0.224 0.000 -0.456) 0.509 17.166 ( -0.407 0.000 -0.670) 0.784 17.182 ( -0.517 0.000 0.480) 0.705 17.297 ( 0.334 0.000 0.136) 0.361 17.399 ( 1.323 0.000 -0.682) 1.489 17.428 ( -0.343 0.000 -0.489) 0.597 17.428 ( -1.562 0.000 1.474) 2.147 17.532 ( 0.481 0.000 0.011) 0.481 17.618 ( 1.043 0.000 -0.101) 1.048 17.737 ( -0.253 0.000 -0.435) 0.504 17.755 ( 0.515 0.000 0.019) 0.515 17.772 ( -1.384 0.000 0.968) 1.689 17.789 ( -1.805 0.000 -0.853) 1.997 18.387 ( -0.432 0.000 0.100) 0.443 18.406 ( 0.564 0.000 1.842) 1.926 18.547 ( 0.448 0.000 -0.415) 0.611 18.590 ( 0.776 0.000 -2.040) 2.182 18.748 ( -0.096 0.000 0.199) 0.221 18.822 ( -0.192 0.000 -0.018) 0.193 18.825 ( 0.518 0.000 -0.803) 0.956 19.056 ( 0.950 0.000 0.586) 1.116 27.792 ( -0.043 0.000 0.052) 0.068 27.793 ( -0.131 0.000 -0.089) 0.159 27.895 ( 0.109 0.000 -0.133) 0.172 27.906 ( 0.411 0.000 0.098) 0.422 28.301 ( -0.151 0.000 -0.061) 0.163 28.308 ( -0.095 0.000 0.078) 0.123 28.387 ( 0.015 0.000 -0.167) 0.167 28.395 ( 0.136 0.000 0.094) 0.166 30.520 ( 1.278 0.000 -0.524) 1.381 30.770 ( 0.342 0.000 0.530) 0.631 30.801 ( -0.228 0.000 -0.862) 0.892 30.802 ( 0.398 0.000 0.254) 0.472 31.067 ( -1.266 0.000 0.385) 1.323 31.190 ( 0.208 0.000 1.125) 1.144 31.245 ( 0.385 0.000 -0.507) 0.636 31.313 ( 0.364 0.000 0.076) 0.372 31.776 ( 0.733 0.000 -1.587) 1.748 31.816 ( 1.485 0.000 1.398) 2.039 31.922 ( -0.719 0.000 0.016) 0.720 31.997 ( 0.659 0.000 1.362) 1.513 32.225 ( 2.757 0.000 -5.630) 6.269 32.253 ( 1.017 0.000 0.272) 1.053 32.262 ( 0.884 0.000 0.660) 1.103 32.340 ( -0.178 0.000 0.015) 0.179 32.347 ( -1.846 0.000 0.022) 1.846 32.637 ( 4.631 0.000 -0.217) 4.636 32.939 ( -1.778 0.000 4.369) 4.717 33.256 ( 8.996 0.000 8.782) 12.572 33.283 ( 5.754 0.000 1.631) 5.981 33.623 ( -16.039 0.000 -9.763) 18.777 33.832 ( -7.906 0.000 1.091) 7.981 34.081 ( -7.187 0.000 0.081) 7.187 ======================= Grid point 7 (5/55) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 0.000 17.782 0.000) 17.782 0.488 ( 0.000 24.135 0.000) 24.135 0.790 ( 0.000 35.052 0.000) 35.052 1.118 ( 0.000 1.018 0.000) 1.018 1.192 ( 0.000 5.141 0.000) 5.141 1.316 ( 0.000 -2.745 0.000) 2.745 1.362 ( 0.000 2.942 0.000) 2.942 1.479 ( 0.000 3.175 0.000) 3.175 1.563 ( 0.000 3.228 0.000) 3.228 1.591 ( 0.000 -0.805 0.000) 0.805 1.679 ( 0.000 1.262 0.000) 1.262 1.682 ( 0.000 0.079 0.000) 0.079 1.771 ( 0.000 0.365 0.000) 0.365 1.777 ( 0.000 2.042 0.000) 2.042 1.803 ( 0.000 0.791 0.000) 0.791 1.883 ( 0.000 4.178 0.000) 4.178 1.894 ( 0.000 6.361 0.000) 6.361 2.118 ( 0.000 4.219 0.000) 4.219 2.154 ( 0.000 0.337 0.000) 0.337 2.252 ( 0.000 11.553 0.000) 11.553 2.360 ( 0.000 0.564 0.000) 0.564 2.435 ( 0.000 11.741 0.000) 11.741 2.455 ( 0.000 3.674 0.000) 3.674 2.724 ( 0.000 1.135 0.000) 1.135 3.359 ( 0.000 -4.115 0.000) 4.115 3.423 ( 0.000 2.934 0.000) 2.934 3.519 ( 0.000 2.657 0.000) 2.657 3.637 ( 0.000 -0.351 0.000) 0.351 3.720 ( 0.000 2.754 0.000) 2.754 3.846 ( 0.000 3.621 0.000) 3.621 3.919 ( 0.000 -3.000 0.000) 3.000 3.942 ( 0.000 -1.231 0.000) 1.231 4.001 ( 0.000 -5.463 0.000) 5.463 4.165 ( 0.000 -1.143 0.000) 1.143 4.179 ( 0.000 -4.703 0.000) 4.703 4.211 ( 0.000 0.434 0.000) 0.434 4.270 ( 0.000 -2.629 0.000) 2.629 4.436 ( 0.000 -3.299 0.000) 3.299 4.481 ( 0.000 1.245 0.000) 1.245 4.517 ( 0.000 2.410 0.000) 2.410 4.551 ( 0.000 -1.008 0.000) 1.008 4.561 ( 0.000 3.795 0.000) 3.795 4.660 ( 0.000 1.824 0.000) 1.824 4.781 ( 0.000 4.489 0.000) 4.489 4.829 ( 0.000 -0.653 0.000) 0.653 4.878 ( 0.000 4.505 0.000) 4.505 4.953 ( 0.000 -0.523 0.000) 0.523 5.030 ( 0.000 -0.311 0.000) 0.311 5.150 ( 0.000 0.850 0.000) 0.850 5.206 ( 0.000 9.014 0.000) 9.014 5.247 ( 0.000 -0.646 0.000) 0.646 5.280 ( 0.000 0.202 0.000) 0.202 5.297 ( 0.000 4.648 0.000) 4.648 5.352 ( 0.000 -0.718 0.000) 0.718 5.436 ( 0.000 1.618 0.000) 1.618 5.515 ( 0.000 -3.849 0.000) 3.849 5.619 ( 0.000 -0.538 0.000) 0.538 5.654 ( 0.000 -4.957 0.000) 4.957 5.722 ( 0.000 3.401 0.000) 3.401 5.748 ( 0.000 -1.558 0.000) 1.558 5.851 ( 0.000 7.978 0.000) 7.978 5.978 ( 0.000 2.063 0.000) 2.063 6.183 ( 0.000 -8.521 0.000) 8.521 6.263 ( 0.000 0.116 0.000) 0.116 6.269 ( 0.000 0.246 0.000) 0.246 6.318 ( 0.000 -1.102 0.000) 1.102 6.518 ( 0.000 -0.242 0.000) 0.242 6.556 ( 0.000 -9.652 0.000) 9.652 6.634 ( 0.000 1.527 0.000) 1.527 6.837 ( 0.000 -3.583 0.000) 3.583 6.943 ( 0.000 -3.502 0.000) 3.502 7.700 ( 0.000 -8.631 0.000) 8.631 12.334 ( 0.000 -2.343 0.000) 2.343 12.351 ( 0.000 -3.191 0.000) 3.191 12.515 ( 0.000 2.520 0.000) 2.520 12.547 ( 0.000 -1.873 0.000) 1.873 12.753 ( 0.000 1.773 0.000) 1.773 12.828 ( 0.000 4.467 0.000) 4.467 13.024 ( 0.000 -0.131 0.000) 0.131 13.059 ( 0.000 0.910 0.000) 0.910 13.334 ( 0.000 0.687 0.000) 0.687 13.358 ( 0.000 0.765 0.000) 0.765 13.497 ( 0.000 0.163 0.000) 0.163 13.581 ( 0.000 4.253 0.000) 4.253 13.623 ( 0.000 -1.460 0.000) 1.460 13.893 ( 0.000 -0.157 0.000) 0.157 14.100 ( 0.000 -0.784 0.000) 0.784 14.263 ( 0.000 -1.685 0.000) 1.685 16.973 ( 0.000 -2.771 0.000) 2.771 17.009 ( 0.000 -0.319 0.000) 0.319 17.048 ( 0.000 0.123 0.000) 0.123 17.174 ( 0.000 -1.560 0.000) 1.560 17.259 ( 0.000 -0.460 0.000) 0.460 17.276 ( 0.000 1.071 0.000) 1.071 17.327 ( 0.000 -0.095 0.000) 0.095 17.388 ( 0.000 0.200 0.000) 0.200 17.419 ( 0.000 -1.071 0.000) 1.071 17.429 ( 0.000 -0.830 0.000) 0.830 17.585 ( 0.000 2.502 0.000) 2.502 17.678 ( 0.000 0.395 0.000) 0.395 17.701 ( 0.000 -1.635 0.000) 1.635 17.740 ( 0.000 1.142 0.000) 1.142 17.820 ( 0.000 1.742 0.000) 1.742 17.954 ( 0.000 -1.845 0.000) 1.845 18.324 ( 0.000 -0.115 0.000) 0.115 18.340 ( 0.000 -0.392 0.000) 0.392 18.432 ( 0.000 0.028 0.000) 0.028 18.587 ( 0.000 -1.391 0.000) 1.391 18.679 ( 0.000 1.545 0.000) 1.545 18.769 ( 0.000 -1.002 0.000) 1.002 18.841 ( 0.000 -2.078 0.000) 2.078 18.875 ( 0.000 -1.549 0.000) 1.549 27.809 ( 0.000 0.087 0.000) 0.087 27.812 ( 0.000 -0.049 0.000) 0.049 27.843 ( 0.000 -0.710 0.000) 0.710 27.847 ( 0.000 -0.946 0.000) 0.946 28.309 ( 0.000 -0.662 0.000) 0.662 28.311 ( 0.000 -0.430 0.000) 0.430 28.382 ( 0.000 -0.212 0.000) 0.212 28.388 ( 0.000 -0.193 0.000) 0.193 30.398 ( 0.000 -0.542 0.000) 0.542 30.412 ( 0.000 -0.948 0.000) 0.948 30.742 ( 0.000 -1.013 0.000) 1.013 30.897 ( 0.000 -2.893 0.000) 2.893 31.116 ( 0.000 0.585 0.000) 0.585 31.211 ( 0.000 -0.838 0.000) 0.838 31.289 ( 0.000 9.257 0.000) 9.257 31.602 ( 0.000 -2.791 0.000) 2.791 31.667 ( 0.000 0.307 0.000) 0.307 31.686 ( 0.000 1.067 0.000) 1.067 31.824 ( 0.000 3.509 0.000) 3.509 31.992 ( 0.000 1.908 0.000) 1.908 32.169 ( 0.000 -4.643 0.000) 4.643 32.171 ( 0.000 1.544 0.000) 1.544 32.279 ( 0.000 2.329 0.000) 2.329 32.288 ( 0.000 4.944 0.000) 4.944 32.535 ( 0.000 7.895 0.000) 7.895 32.634 ( 0.000 10.585 0.000) 10.585 32.819 ( 0.000 1.999 0.000) 1.999 32.929 ( 0.000 -2.647 0.000) 2.647 34.195 ( 0.000 -5.290 0.000) 5.290 34.407 ( 0.000 -5.041 0.000) 5.041 34.457 ( 0.000 -2.993 0.000) 2.993 34.665 ( 0.000 -2.808 0.000) 2.808 ======================= Grid point 8 (6/55) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 8.136 14.231 -0.188) 16.393 0.606 ( 13.558 15.877 -0.743) 20.891 0.929 ( 7.581 28.627 9.547) 31.115 1.087 ( -0.298 0.476 -4.377) 4.413 1.167 ( -2.027 4.707 -2.023) 5.510 1.289 ( 3.292 4.966 -8.609) 10.469 1.404 ( -2.329 -1.640 5.110) 5.850 1.510 ( -0.061 1.281 2.046) 2.415 1.557 ( 1.565 2.381 2.114) 3.548 1.574 ( -6.838 3.654 -4.424) 8.926 1.619 ( -0.655 -0.043 4.337) 4.386 1.688 ( 1.681 1.263 -1.349) 2.498 1.733 ( 1.403 1.604 0.708) 2.245 1.749 ( -5.375 1.537 2.410) 6.088 1.839 ( 1.627 -1.535 -3.658) 4.287 1.871 ( -0.898 4.746 1.773) 5.146 1.953 ( 0.409 3.651 8.610) 9.361 2.086 ( -2.704 3.450 1.555) 4.651 2.184 ( 2.969 6.206 -6.111) 9.202 2.287 ( 5.221 -0.445 -0.228) 5.245 2.391 ( 2.022 1.973 -4.021) 4.915 2.417 ( 3.343 9.507 -5.232) 11.355 2.567 ( 4.675 3.637 7.981) 9.938 2.741 ( 2.880 1.472 -2.253) 3.942 3.326 ( -2.620 -3.637 -0.573) 4.518 3.419 ( -0.615 2.410 0.635) 2.567 3.547 ( 1.864 1.202 1.590) 2.729 3.656 ( 1.114 1.250 1.902) 2.534 3.712 ( -0.083 3.472 -0.475) 3.505 3.835 ( -1.321 3.835 0.891) 4.153 3.893 ( -1.554 -3.744 -1.910) 4.480 3.948 ( -1.141 -1.040 3.698) 4.007 4.027 ( 3.212 -5.235 -2.338) 6.572 4.128 ( -1.680 -2.447 -4.737) 5.590 4.197 ( 0.458 -2.763 5.304) 5.998 4.233 ( 3.284 -0.026 -2.612) 4.197 4.298 ( -0.449 -1.950 5.862) 6.194 4.439 ( 0.078 -2.825 0.106) 2.828 4.498 ( 1.463 0.537 -0.155) 1.566 4.509 ( 1.135 1.211 -1.862) 2.495 4.541 ( -0.078 0.737 2.104) 2.231 4.587 ( 1.322 0.585 -1.547) 2.117 4.659 ( 0.043 2.716 -0.112) 2.718 4.775 ( -0.361 3.980 -0.859) 4.088 4.816 ( -2.214 1.812 0.451) 2.896 4.860 ( -1.487 4.048 -0.524) 4.344 4.934 ( -1.623 -0.780 -0.368) 1.838 5.051 ( 2.082 0.025 0.383) 2.117 5.110 ( -2.449 1.562 -2.883) 4.093 5.214 ( -0.818 4.532 3.060) 5.529 5.261 ( 0.708 3.436 -0.457) 3.538 5.261 ( -0.418 0.750 -0.435) 0.962 5.299 ( -0.304 3.687 2.194) 4.301 5.352 ( 0.795 1.959 -2.646) 3.387 5.427 ( -1.861 0.293 0.295) 1.907 5.458 ( -4.657 3.003 2.047) 5.907 5.607 ( 0.799 -1.649 0.149) 1.838 5.688 ( 0.279 -2.607 -2.820) 3.850 5.703 ( -2.473 -3.126 0.231) 3.993 5.722 ( -0.539 2.475 2.038) 3.251 5.877 ( 1.450 5.112 1.201) 5.448 5.983 ( -0.390 0.511 -0.211) 0.676 6.123 ( -5.727 -6.853 -0.387) 8.939 6.183 ( -3.032 -2.251 -5.223) 6.446 6.304 ( 0.120 1.404 -0.010) 1.409 6.340 ( -0.075 2.902 6.699) 7.301 6.475 ( -5.203 -9.430 2.207) 10.994 6.560 ( -0.313 0.381 -1.185) 1.283 6.683 ( 1.613 0.670 -2.821) 3.318 6.801 ( 0.600 0.027 0.299) 0.671 6.889 ( -6.667 4.171 -0.092) 7.865 7.244 ( -21.528 10.444 -9.528) 25.754 12.323 ( -0.954 -2.561 -0.143) 2.736 12.343 ( -0.872 -3.023 0.175) 3.151 12.523 ( 0.830 2.452 0.215) 2.598 12.547 ( 0.465 -1.247 -0.624) 1.470 12.738 ( -0.779 2.480 -0.702) 2.693 12.814 ( -1.091 5.762 0.763) 5.914 13.035 ( 0.704 0.040 0.863) 1.115 13.058 ( 0.028 0.777 -0.505) 0.928 13.344 ( 0.982 0.275 0.342) 1.076 13.361 ( 0.967 0.885 -0.597) 1.441 13.490 ( -1.061 0.302 0.433) 1.185 13.556 ( -2.550 3.482 1.824) 4.685 13.645 ( 1.904 -1.109 -1.021) 2.428 13.895 ( 0.634 -0.336 -0.797) 1.072 14.094 ( -1.010 -0.587 1.668) 2.036 14.249 ( -1.094 -1.543 -0.819) 2.061 16.970 ( -0.855 -3.005 1.221) 3.355 16.991 ( -1.606 -0.056 -0.927) 1.855 17.054 ( 0.650 -0.085 0.328) 0.733 17.155 ( -0.943 -1.321 -2.537) 3.012 17.218 ( -4.510 2.333 0.785) 5.138 17.264 ( -0.505 0.284 0.971) 1.131 17.286 ( -0.169 1.839 -2.173) 2.852 17.385 ( 0.025 0.088 -0.598) 0.605 17.424 ( 0.024 -0.464 1.585) 1.652 17.447 ( 0.702 -1.142 -0.778) 1.550 17.584 ( -2.460 3.688 -2.574) 5.126 17.593 ( 0.319 2.314 0.238) 2.348 17.703 ( -0.170 -1.618 0.581) 1.727 17.745 ( 0.396 1.093 0.381) 1.223 17.831 ( -0.603 1.784 2.289) 2.964 17.946 ( -2.172 -1.345 0.566) 2.616 18.334 ( 0.346 -0.117 -0.467) 0.592 18.396 ( 0.995 -2.393 -0.029) 2.592 18.479 ( 4.709 -2.437 0.343) 5.314 18.584 ( 0.881 -1.186 -2.829) 3.191 18.671 ( 0.027 -1.282 1.176) 1.740 18.773 ( -0.395 -1.252 1.644) 2.103 18.865 ( 0.045 -0.557 -1.318) 1.432 18.902 ( 4.017 -3.357 0.697) 5.281 27.798 ( -0.646 -0.199 -0.023) 0.677 27.803 ( -0.648 -0.205 0.007) 0.679 27.861 ( 1.252 -0.707 0.014) 1.438 27.866 ( 1.350 -1.290 -0.008) 1.867 28.302 ( -0.308 -0.589 -0.047) 0.667 28.317 ( 0.167 -0.149 0.006) 0.224 28.379 ( -0.299 -0.503 0.034) 0.586 28.387 ( -0.032 -0.163 -0.032) 0.169 30.421 ( 2.772 -0.765 -1.093) 3.077 30.515 ( 7.002 -6.409 2.405) 9.792 30.751 ( 0.157 -1.140 1.604) 1.974 30.871 ( -1.349 -2.280 -2.327) 3.526 31.125 ( -0.176 -0.084 2.092) 2.101 31.166 ( -3.940 -0.098 0.796) 4.021 31.314 ( 2.097 8.250 -0.875) 8.558 31.519 ( -6.584 6.060 1.632) 9.096 31.654 ( 2.573 -1.484 1.933) 3.544 31.802 ( 7.204 -0.593 -11.545) 13.621 31.828 ( 0.903 0.599 5.011) 5.127 31.981 ( 0.194 1.725 -2.736) 3.240 32.133 ( -0.899 -0.719 2.826) 3.052 32.228 ( 1.895 -2.414 -0.113) 3.071 32.277 ( 0.180 4.533 -0.268) 4.545 32.341 ( 5.725 3.169 -2.017) 6.848 32.522 ( -1.398 7.904 0.310) 8.033 32.647 ( 1.944 10.785 -0.628) 10.977 32.884 ( 5.595 2.017 2.877) 6.607 32.967 ( 4.844 -2.606 -1.517) 5.706 33.756 ( -42.520 36.942 -10.451) 57.288 34.103 ( -11.988 -3.994 5.623) 13.830 34.374 ( -8.878 -4.336 1.941) 10.069 34.469 ( -11.200 -3.761 1.070) 11.863 ======================= Grid point 9 (7/55) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 10.753 4.770 6.414) 13.398 0.846 ( 11.808 8.628 -2.818) 14.893 1.010 ( -0.670 6.202 -0.926) 6.306 1.109 ( -3.098 4.996 1.938) 6.190 1.177 ( 5.928 16.529 1.260) 17.605 1.277 ( -0.516 4.944 -5.436) 7.366 1.308 ( -2.476 2.651 -4.151) 5.513 1.424 ( -3.628 2.530 -2.048) 4.875 1.518 ( -0.247 4.563 -1.721) 4.883 1.638 ( -5.847 2.613 2.192) 6.769 1.652 ( -1.522 -1.892 5.771) 6.261 1.675 ( 3.090 0.282 4.920) 5.817 1.706 ( 0.041 0.190 -0.647) 0.676 1.720 ( -3.378 -0.455 3.229) 4.695 1.854 ( 0.433 2.022 2.589) 3.313 1.902 ( 6.417 -0.520 -4.420) 7.810 2.029 ( 3.534 2.892 2.049) 5.006 2.096 ( 1.044 2.793 2.904) 4.163 2.214 ( 2.736 5.352 -1.329) 6.156 2.310 ( -0.658 4.794 -0.792) 4.903 2.399 ( 0.564 1.254 -3.430) 3.696 2.431 ( 4.950 10.220 -8.109) 13.954 2.681 ( 0.596 2.947 6.270) 6.954 2.787 ( 3.992 2.153 -2.756) 5.307 3.277 ( -2.112 -3.101 -0.350) 3.768 3.415 ( -0.558 1.292 1.110) 1.792 3.595 ( 1.726 -0.460 1.410) 2.276 3.693 ( 1.097 2.789 0.817) 3.106 3.727 ( 1.723 3.587 1.163) 4.145 3.818 ( -0.929 2.073 -0.537) 2.334 3.844 ( -1.975 -1.964 -1.255) 3.056 3.957 ( -1.794 -1.556 5.030) 5.563 4.013 ( -1.487 -0.689 -4.889) 5.156 4.111 ( 2.356 -6.639 -0.682) 7.078 4.260 ( 1.849 -1.164 3.800) 4.384 4.278 ( 3.303 -1.475 -1.411) 3.883 4.323 ( -0.748 0.444 3.063) 3.184 4.426 ( -1.538 -2.857 0.260) 3.255 4.515 ( -0.034 -2.116 1.011) 2.345 4.539 ( 0.020 -2.532 0.867) 2.676 4.573 ( 4.163 -1.594 -2.223) 4.981 4.601 ( 1.565 2.710 0.542) 3.176 4.662 ( 0.856 1.150 0.088) 1.436 4.755 ( -0.695 3.980 -0.643) 4.091 4.775 ( -1.728 4.835 -1.156) 5.263 4.826 ( -1.200 3.201 -1.050) 3.576 4.901 ( -1.583 0.394 0.034) 1.632 5.047 ( -1.193 3.516 -2.879) 4.699 5.098 ( 1.421 0.512 1.831) 2.373 5.183 ( -2.440 0.662 -1.292) 2.839 5.244 ( -0.690 2.742 0.295) 2.843 5.303 ( 0.703 5.871 1.368) 6.069 5.320 ( -1.028 3.176 -1.089) 3.511 5.341 ( 0.168 2.497 1.956) 3.176 5.372 ( 0.189 2.680 0.152) 2.691 5.450 ( 0.474 1.160 2.341) 2.655 5.578 ( -6.513 -0.782 -0.478) 6.577 5.631 ( 2.266 -2.916 -3.236) 4.910 5.724 ( 1.432 -2.262 0.100) 2.679 5.735 ( -0.188 0.644 1.408) 1.560 5.879 ( -3.369 4.472 -0.497) 5.621 5.939 ( -1.770 0.523 -0.914) 2.060 6.004 ( -6.622 -5.980 0.277) 8.927 6.117 ( -0.286 0.717 -2.284) 2.411 6.262 ( -8.884 4.032 5.842) 11.371 6.340 ( -5.461 0.446 6.105) 8.203 6.417 ( 1.383 -0.908 -0.574) 1.751 6.510 ( 0.634 -1.450 -6.514) 6.704 6.695 ( 3.110 2.664 -4.015) 5.735 6.790 ( -2.475 1.342 0.650) 2.889 6.825 ( -4.772 -3.045 -1.353) 5.820 7.004 ( -3.549 4.568 3.262) 6.641 12.303 ( -1.048 -2.817 -0.205) 3.012 12.327 ( -0.891 -2.876 0.237) 3.020 12.545 ( 1.019 1.617 0.289) 1.933 12.553 ( 0.663 -0.112 -0.117) 0.682 12.719 ( -0.660 2.490 -1.110) 2.804 12.807 ( -0.627 5.178 1.194) 5.351 13.052 ( 0.053 0.380 -0.578) 0.694 13.059 ( 0.886 0.554 0.745) 1.283 13.366 ( 1.360 -0.297 -0.351) 1.435 13.388 ( 1.860 0.429 0.413) 1.953 13.463 ( -1.785 0.383 -0.511) 1.895 13.532 ( -1.813 3.723 2.461) 4.817 13.664 ( 1.109 -1.898 -1.475) 2.648 13.907 ( 1.264 -0.937 -0.649) 1.702 14.092 ( -0.956 -1.062 2.053) 2.501 14.216 ( -1.426 -1.072 -1.140) 2.117 16.948 ( -1.765 -0.234 -0.920) 2.004 16.965 ( -0.783 -2.757 1.193) 3.105 17.070 ( 0.709 -0.197 0.235) 0.772 17.115 ( -0.803 -0.749 -2.375) 2.617 17.180 ( -1.093 0.765 1.083) 1.718 17.249 ( -1.423 2.152 0.327) 2.601 17.287 ( 0.931 0.295 -0.500) 1.098 17.384 ( 0.645 -0.049 -0.793) 1.023 17.430 ( -0.510 -0.362 0.779) 0.999 17.443 ( -0.770 -0.443 0.337) 0.950 17.552 ( 0.014 2.551 -0.588) 2.618 17.615 ( 1.467 1.574 0.122) 2.155 17.700 ( -0.889 -1.720 0.815) 2.100 17.758 ( 0.359 0.998 0.836) 1.351 17.835 ( -0.564 2.443 1.204) 2.782 17.878 ( -4.072 0.674 -1.649) 4.444 18.359 ( 1.495 -0.548 1.778) 2.386 18.393 ( -0.627 -0.736 0.169) 0.982 18.529 ( 1.489 -0.998 -1.120) 2.114 18.579 ( 1.432 -1.368 -3.296) 3.845 18.697 ( 1.595 -3.316 0.263) 3.689 18.772 ( -1.173 -2.016 1.693) 2.882 18.859 ( 0.633 0.276 -1.599) 1.741 18.971 ( 2.678 -3.716 1.028) 4.695 27.790 ( -0.301 -0.430 0.009) 0.525 27.793 ( -0.399 -0.361 -0.058) 0.541 27.882 ( 0.688 -0.885 -0.191) 1.137 27.885 ( 1.065 -0.593 0.118) 1.224 28.298 ( -0.066 -0.472 -0.053) 0.480 28.315 ( -0.320 0.218 0.060) 0.391 28.376 ( 0.061 -0.890 -0.163) 0.907 28.387 ( -0.013 -0.352 0.114) 0.370 30.470 ( 3.181 -1.226 -1.120) 3.588 30.636 ( 4.827 -6.829 0.535) 8.380 30.765 ( -0.530 -1.595 2.237) 2.798 30.831 ( -0.761 -1.469 -1.953) 2.559 31.100 ( -3.212 -0.173 0.517) 3.257 31.140 ( -0.391 -1.566 1.709) 2.350 31.339 ( 1.292 8.117 -0.518) 8.235 31.450 ( -2.124 8.156 0.163) 8.429 31.727 ( 3.254 -2.057 2.086) 4.378 31.802 ( 2.209 2.646 -5.250) 6.280 31.877 ( -0.603 -3.801 2.038) 4.355 31.983 ( 1.168 1.913 1.320) 2.601 32.164 ( 2.825 -1.224 -1.169) 3.293 32.245 ( 0.514 -2.191 -0.512) 2.308 32.285 ( 0.473 3.098 0.681) 3.207 32.419 ( 5.854 7.763 -6.181) 11.521 32.495 ( -1.979 8.669 0.915) 8.939 32.700 ( 4.953 11.587 -1.655) 12.709 33.047 ( 8.819 0.283 3.177) 9.378 33.065 ( 5.213 1.734 -3.082) 6.299 33.205 ( -16.275 18.312 6.939) 25.463 33.905 ( -15.448 -3.149 8.488) 17.905 34.134 ( -17.894 -1.305 -5.523) 18.772 34.233 ( -12.149 -2.326 0.731) 12.391 ======================= Grid point 10 (8/55) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 4.941 2.883 1.629) 5.948 0.946 ( 1.244 3.864 2.398) 4.715 1.002 ( 1.495 7.462 -2.694) 8.073 1.096 ( 3.812 4.327 -5.414) 7.910 1.150 ( -6.047 7.905 7.587) 12.515 1.245 ( -0.569 8.830 -1.105) 8.917 1.328 ( 2.450 0.723 -3.290) 4.165 1.359 ( -2.491 1.615 -1.605) 3.374 1.505 ( -0.150 4.868 -0.210) 4.875 1.575 ( -3.136 3.655 -1.761) 5.128 1.591 ( -1.015 4.728 1.051) 4.949 1.660 ( -1.541 1.382 -0.272) 2.088 1.761 ( -0.463 -5.135 6.234) 8.090 1.786 ( 2.050 -2.151 1.874) 3.513 1.942 ( 9.437 2.158 -1.452) 9.789 1.962 ( 2.527 -5.343 -1.078) 6.009 2.094 ( 0.506 2.715 1.090) 2.969 2.118 ( -0.644 2.339 -0.953) 2.607 2.180 ( -6.519 4.726 3.800) 8.904 2.313 ( 1.710 12.519 -0.555) 12.647 2.357 ( -1.862 6.721 -1.551) 7.145 2.521 ( 12.697 6.728 -10.771) 17.958 2.668 ( -8.312 5.620 8.308) 13.027 2.826 ( 2.025 2.259 -1.702) 3.479 3.249 ( -0.761 -2.877 -0.073) 2.977 3.415 ( -0.230 0.986 0.597) 1.175 3.620 ( 0.342 -2.277 0.432) 2.342 3.709 ( 0.464 4.859 0.067) 4.881 3.770 ( 1.058 1.106 0.982) 1.818 3.792 ( -0.298 -2.514 -0.918) 2.693 3.820 ( -0.538 3.863 -0.243) 3.908 3.954 ( -1.802 -0.008 2.252) 2.884 3.972 ( 0.364 -0.626 -1.726) 1.871 4.142 ( 1.028 -8.259 -0.160) 8.325 4.290 ( -0.801 4.515 0.625) 4.628 4.317 ( 1.664 -2.315 -1.044) 3.036 4.328 ( -0.361 -1.078 1.982) 2.285 4.421 ( 1.160 -4.747 0.043) 4.887 4.488 ( -2.422 -4.785 0.438) 5.381 4.548 ( 0.764 -3.182 -0.280) 3.285 4.623 ( 1.859 -2.757 -0.165) 3.329 4.646 ( 1.518 3.172 2.135) 4.114 4.696 ( 1.480 -0.484 -0.135) 1.563 4.729 ( -1.305 5.160 -1.472) 5.523 4.750 ( 0.287 1.490 -0.708) 1.675 4.809 ( -0.295 3.036 -0.164) 3.054 4.881 ( -0.539 2.543 -0.070) 2.600 5.029 ( 0.832 3.808 -1.307) 4.111 5.129 ( -1.504 3.248 1.224) 3.782 5.132 ( 0.151 1.129 0.014) 1.139 5.208 ( -2.127 0.513 -2.656) 3.441 5.276 ( -0.707 5.743 0.869) 5.852 5.310 ( 0.285 4.245 -0.481) 4.282 5.394 ( 0.734 1.737 4.847) 5.201 5.418 ( 2.399 1.176 -1.604) 3.116 5.471 ( -2.907 -3.057 1.206) 4.387 5.509 ( 3.015 2.087 -0.270) 3.677 5.636 ( 0.605 -9.532 -2.741) 9.937 5.699 ( -4.132 -2.692 0.205) 4.936 5.725 ( -1.112 5.135 -0.983) 5.346 5.825 ( -0.266 4.321 1.248) 4.505 5.872 ( -3.076 3.786 -1.756) 5.185 5.979 ( 0.942 -0.316 1.524) 1.819 6.094 ( -1.403 4.067 -0.343) 4.316 6.172 ( -2.719 -2.094 2.508) 4.251 6.334 ( -0.661 -1.232 4.966) 5.159 6.399 ( -2.580 -3.785 -2.458) 5.199 6.499 ( 1.460 2.923 -2.310) 4.001 6.626 ( -4.226 0.175 -3.609) 5.560 6.764 ( -0.153 0.030 1.425) 1.434 6.776 ( -0.207 0.624 0.178) 0.681 7.035 ( 1.542 2.221 0.734) 2.802 12.287 ( -0.449 -2.953 -0.104) 2.989 12.317 ( -0.336 -2.800 0.118) 2.822 12.551 ( 0.115 0.061 -0.248) 0.280 12.574 ( 0.696 1.683 0.592) 1.915 12.699 ( -0.465 2.747 -0.805) 2.901 12.808 ( -0.178 4.327 0.592) 4.371 13.048 ( 0.013 0.186 -0.340) 0.387 13.077 ( 0.431 0.730 0.382) 0.930 13.391 ( 1.556 -0.318 0.090) 1.591 13.418 ( 0.645 0.132 0.230) 0.697 13.425 ( -1.599 0.308 -0.695) 1.770 13.529 ( -0.478 3.970 1.402) 4.237 13.664 ( 0.198 -2.576 -0.914) 2.740 13.924 ( 0.728 -1.562 -0.226) 1.739 14.090 ( -0.480 -1.325 0.907) 1.676 14.189 ( -0.644 -0.656 -0.531) 1.062 16.920 ( -0.655 -0.415 -0.393) 0.869 16.962 ( -0.290 -2.387 0.490) 2.454 17.082 ( 0.396 -0.637 0.139) 0.762 17.092 ( -0.344 -0.735 -0.818) 1.152 17.179 ( 0.032 0.154 0.402) 0.432 17.229 ( -0.818 2.867 0.050) 2.982 17.299 ( 0.442 0.193 -0.049) 0.485 17.397 ( 1.301 -0.291 -0.697) 1.505 17.424 ( -0.381 -0.088 0.064) 0.396 17.427 ( -1.388 -0.286 0.775) 1.615 17.558 ( 0.472 2.359 0.078) 2.407 17.644 ( 1.710 1.464 -0.356) 2.279 17.682 ( -1.570 -2.069 0.639) 2.675 17.770 ( -0.118 0.924 1.813) 2.038 17.796 ( -1.622 0.990 -2.714) 3.313 17.840 ( -0.237 3.686 0.428) 3.719 18.384 ( -0.293 -0.309 0.090) 0.435 18.396 ( 0.632 -0.877 1.539) 1.881 18.534 ( 0.266 -1.178 -0.865) 1.485 18.582 ( 0.731 -0.996 -1.365) 1.841 18.720 ( 0.854 -2.434 -0.184) 2.586 18.762 ( -0.819 -2.963 0.809) 3.179 18.859 ( 0.341 0.596 -0.821) 1.071 19.011 ( 0.969 -3.927 0.510) 4.076 27.786 ( -0.114 -0.578 -0.048) 0.591 27.789 ( -0.092 -0.326 0.030) 0.340 27.888 ( 0.204 -0.660 -0.117) 0.700 27.900 ( 0.419 -0.527 0.099) 0.680 28.298 ( 0.094 -0.165 -0.054) 0.197 28.309 ( -0.304 0.079 0.068) 0.321 28.377 ( 0.072 -0.844 -0.131) 0.857 28.388 ( 0.022 -0.615 0.091) 0.622 30.505 ( 1.242 -1.385 -0.456) 1.915 30.700 ( 2.286 -5.499 -0.474) 5.974 30.762 ( -1.077 -2.090 1.212) 2.645 30.818 ( 0.082 -1.088 -0.420) 1.169 31.061 ( -1.217 -0.400 0.068) 1.282 31.143 ( -0.197 -2.416 0.632) 2.505 31.353 ( 0.498 7.956 -0.168) 7.974 31.430 ( -0.434 8.223 0.003) 8.235 31.789 ( 2.188 -1.882 0.222) 2.894 31.804 ( 0.695 2.651 -1.241) 3.009 31.860 ( -1.571 -4.655 0.785) 4.975 32.020 ( 0.549 2.089 2.180) 3.069 32.196 ( 1.574 -3.602 -1.587) 4.239 32.248 ( 0.420 -1.492 -0.612) 1.666 32.295 ( -0.061 2.543 0.720) 2.644 32.453 ( 3.057 9.857 -5.125) 11.522 32.471 ( -1.670 14.306 1.778) 14.512 32.780 ( 3.863 10.992 -1.323) 11.726 32.977 ( -4.261 3.467 1.327) 5.651 33.220 ( 5.144 -4.119 2.406) 7.016 33.299 ( 9.592 2.697 6.144) 11.706 33.652 ( -15.840 2.597 -2.314) 16.217 33.821 ( -7.722 -0.050 -2.141) 8.014 34.055 ( -6.642 -2.138 0.182) 6.980 ======================= Grid point 14 (9/55) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 18.790 0.000) 18.790 0.964 ( 0.000 22.315 0.000) 22.315 1.157 ( 0.000 6.629 0.000) 6.629 1.287 ( 0.000 2.150 0.000) 2.150 1.338 ( 0.000 11.456 0.000) 11.456 1.351 ( 0.000 8.310 0.000) 8.310 1.478 ( 0.000 8.324 0.000) 8.324 1.574 ( 0.000 6.079 0.000) 6.079 1.588 ( 0.000 1.138 0.000) 1.138 1.617 ( 0.000 1.494 0.000) 1.494 1.693 ( 0.000 1.514 0.000) 1.514 1.701 ( 0.000 1.199 0.000) 1.199 1.806 ( 0.000 3.353 0.000) 3.353 1.834 ( 0.000 2.493 0.000) 2.493 1.866 ( 0.000 8.521 0.000) 8.521 1.958 ( 0.000 3.419 0.000) 3.419 2.011 ( 0.000 4.728 0.000) 4.728 2.161 ( 0.000 0.813 0.000) 0.813 2.173 ( 0.000 0.782 0.000) 0.782 2.427 ( 0.000 4.617 0.000) 4.617 2.479 ( 0.000 8.575 0.000) 8.575 2.527 ( 0.000 2.862 0.000) 2.862 2.656 ( 0.000 7.343 0.000) 7.343 2.769 ( 0.000 3.501 0.000) 3.501 3.278 ( 0.000 -3.733 0.000) 3.733 3.308 ( 0.000 -10.128 0.000) 10.128 3.583 ( 0.000 -6.578 0.000) 6.578 3.611 ( 0.000 1.689 0.000) 1.689 3.770 ( 0.000 -2.904 0.000) 2.904 3.844 ( 0.000 2.033 0.000) 2.033 3.905 ( 0.000 2.510 0.000) 2.510 3.922 ( 0.000 -4.096 0.000) 4.096 3.956 ( 0.000 3.296 0.000) 3.296 4.171 ( 0.000 4.241 0.000) 4.241 4.193 ( 0.000 4.541 0.000) 4.541 4.269 ( 0.000 3.130 0.000) 3.130 4.279 ( 0.000 4.249 0.000) 4.249 4.368 ( 0.000 0.657 0.000) 0.657 4.489 ( 0.000 0.404 0.000) 0.404 4.574 ( 0.000 1.235 0.000) 1.235 4.590 ( 0.000 4.438 0.000) 4.438 4.643 ( 0.000 3.737 0.000) 3.737 4.694 ( 0.000 0.515 0.000) 0.515 4.774 ( 0.000 -3.546 0.000) 3.546 4.891 ( 0.000 4.764 0.000) 4.764 4.948 ( 0.000 0.461 0.000) 0.461 4.962 ( 0.000 0.645 0.000) 0.645 5.025 ( 0.000 -0.296 0.000) 0.296 5.105 ( 0.000 -6.128 0.000) 6.128 5.141 ( 0.000 -0.784 0.000) 0.784 5.312 ( 0.000 0.802 0.000) 0.802 5.341 ( 0.000 -0.462 0.000) 0.462 5.376 ( 0.000 0.839 0.000) 0.839 5.388 ( 0.000 -0.488 0.000) 0.488 5.441 ( 0.000 -0.682 0.000) 0.682 5.513 ( 0.000 8.131 0.000) 8.131 5.525 ( 0.000 -2.618 0.000) 2.618 5.621 ( 0.000 0.963 0.000) 0.963 5.699 ( 0.000 -3.517 0.000) 3.517 5.791 ( 0.000 0.634 0.000) 0.634 5.965 ( 0.000 1.101 0.000) 1.101 5.987 ( 0.000 -8.079 0.000) 8.079 6.038 ( 0.000 4.850 0.000) 4.850 6.249 ( 0.000 -2.796 0.000) 2.796 6.267 ( 0.000 -0.202 0.000) 0.202 6.298 ( 0.000 -0.053 0.000) 0.053 6.368 ( 0.000 -5.294 0.000) 5.294 6.517 ( 0.000 0.317 0.000) 0.317 6.671 ( 0.000 1.351 0.000) 1.351 6.788 ( 0.000 -1.292 0.000) 1.292 6.877 ( 0.000 -3.252 0.000) 3.252 7.468 ( 0.000 -13.774 0.000) 13.774 12.275 ( 0.000 -3.087 0.000) 3.087 12.285 ( 0.000 -3.177 0.000) 3.177 12.528 ( 0.000 -0.083 0.000) 0.083 12.559 ( 0.000 1.727 0.000) 1.727 12.794 ( 0.000 2.227 0.000) 2.227 12.914 ( 0.000 3.622 0.000) 3.622 13.015 ( 0.000 -0.845 0.000) 0.845 13.073 ( 0.000 0.264 0.000) 0.264 13.352 ( 0.000 1.127 0.000) 1.127 13.389 ( 0.000 2.174 0.000) 2.174 13.494 ( 0.000 -0.604 0.000) 0.604 13.585 ( 0.000 -2.238 0.000) 2.238 13.687 ( 0.000 5.853 0.000) 5.853 13.900 ( 0.000 1.037 0.000) 1.037 14.083 ( 0.000 -0.770 0.000) 0.770 14.220 ( 0.000 -2.447 0.000) 2.447 16.930 ( 0.000 -0.834 0.000) 0.834 17.007 ( 0.000 0.239 0.000) 0.239 17.059 ( 0.000 1.058 0.000) 1.058 17.162 ( 0.000 0.062 0.000) 0.062 17.250 ( 0.000 -0.420 0.000) 0.420 17.277 ( 0.000 -0.870 0.000) 0.870 17.328 ( 0.000 0.193 0.000) 0.193 17.386 ( 0.000 -0.296 0.000) 0.296 17.407 ( 0.000 -0.164 0.000) 0.164 17.420 ( 0.000 0.015 0.000) 0.015 17.621 ( 0.000 1.062 0.000) 1.062 17.670 ( 0.000 -1.383 0.000) 1.383 17.690 ( 0.000 0.563 0.000) 0.563 17.773 ( 0.000 2.021 0.000) 2.021 17.851 ( 0.000 1.165 0.000) 1.165 17.904 ( 0.000 -3.072 0.000) 3.072 18.326 ( 0.000 0.463 0.000) 0.463 18.337 ( 0.000 0.166 0.000) 0.166 18.430 ( 0.000 -0.245 0.000) 0.245 18.547 ( 0.000 -2.432 0.000) 2.432 18.700 ( 0.000 0.442 0.000) 0.442 18.741 ( 0.000 -1.561 0.000) 1.561 18.791 ( 0.000 -2.703 0.000) 2.703 18.830 ( 0.000 -2.712 0.000) 2.712 27.810 ( 0.000 -0.092 0.000) 0.092 27.812 ( 0.000 -0.033 0.000) 0.033 27.826 ( 0.000 -0.899 0.000) 0.899 27.827 ( 0.000 -0.909 0.000) 0.909 28.300 ( 0.000 -0.140 0.000) 0.140 28.303 ( 0.000 -0.231 0.000) 0.231 28.375 ( 0.000 -0.501 0.000) 0.501 28.380 ( 0.000 -0.649 0.000) 0.649 30.391 ( 0.000 -0.007 0.000) 0.007 30.399 ( 0.000 0.035 0.000) 0.035 30.703 ( 0.000 -2.886 0.000) 2.886 30.815 ( 0.000 -5.002 0.000) 5.002 31.131 ( 0.000 0.712 0.000) 0.712 31.193 ( 0.000 -0.852 0.000) 0.852 31.469 ( 0.000 7.150 0.000) 7.150 31.552 ( 0.000 -1.937 0.000) 1.937 31.688 ( 0.000 1.954 0.000) 1.954 31.705 ( 0.000 0.842 0.000) 0.842 31.905 ( 0.000 3.891 0.000) 3.891 32.016 ( 0.000 -1.429 0.000) 1.429 32.074 ( 0.000 -2.327 0.000) 2.327 32.199 ( 0.000 1.152 0.000) 1.152 32.347 ( 0.000 3.510 0.000) 3.510 32.362 ( 0.000 1.496 0.000) 1.496 32.717 ( 0.000 8.317 0.000) 8.317 32.839 ( 0.000 -2.759 0.000) 2.759 32.869 ( 0.000 11.545 0.000) 11.545 32.914 ( 0.000 3.953 0.000) 3.953 34.099 ( 0.000 -2.769 0.000) 2.769 34.290 ( 0.000 -5.385 0.000) 5.385 34.380 ( 0.000 -3.774 0.000) 3.774 34.613 ( 0.000 -2.345 0.000) 2.345 ======================= Grid point 15 (10/55) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 6.285 17.987 -2.869) 19.268 0.983 ( 3.823 19.347 -2.432) 19.871 1.165 ( 1.348 6.796 -4.888) 8.479 1.285 ( -2.580 3.712 8.829) 9.919 1.313 ( -3.204 7.719 3.738) 9.155 1.377 ( 2.706 6.011 -3.649) 7.535 1.491 ( -0.935 8.380 3.294) 9.052 1.539 ( -3.626 1.002 0.021) 3.762 1.602 ( 1.854 2.843 1.165) 3.589 1.646 ( 0.750 2.244 0.130) 2.369 1.655 ( -1.575 3.876 -1.307) 4.383 1.723 ( 1.105 2.365 -0.336) 2.632 1.770 ( -7.426 3.104 3.074) 8.616 1.802 ( 3.661 4.088 -4.718) 7.237 1.854 ( -1.112 5.004 -3.967) 6.482 1.963 ( 0.561 3.511 1.342) 3.800 2.024 ( 0.924 3.786 0.883) 3.996 2.122 ( -1.187 2.017 3.041) 3.837 2.256 ( 2.948 4.236 4.557) 6.885 2.437 ( 1.721 4.977 -2.729) 5.931 2.490 ( 3.360 8.176 -3.658) 9.566 2.574 ( 5.723 3.750 -3.749) 7.802 2.683 ( 1.823 5.811 2.265) 6.498 2.791 ( 2.052 3.412 1.030) 4.113 3.256 ( -1.859 -3.779 0.753) 4.278 3.328 ( 0.605 -8.657 1.213) 8.763 3.532 ( -2.452 -4.444 0.304) 5.085 3.661 ( 2.427 -2.989 0.301) 3.862 3.765 ( 0.006 -3.697 -1.539) 4.004 3.823 ( -1.814 3.740 0.196) 4.162 3.909 ( -1.094 3.488 3.362) 4.967 3.932 ( 2.475 -4.348 -2.622) 5.648 3.974 ( 0.416 2.568 2.525) 3.625 4.157 ( -0.495 6.200 -2.166) 6.586 4.214 ( 2.098 4.732 -0.721) 5.226 4.265 ( -0.403 0.911 2.966) 3.129 4.311 ( 0.320 3.943 4.479) 5.976 4.362 ( 0.675 0.014 -3.020) 3.094 4.492 ( 0.392 -0.316 -0.360) 0.619 4.555 ( -2.214 2.188 0.936) 3.251 4.580 ( -0.626 2.990 -2.505) 3.951 4.627 ( 0.770 2.135 -0.572) 2.341 4.716 ( 0.866 2.508 -2.774) 3.838 4.793 ( 1.737 -3.647 2.910) 4.979 4.882 ( -0.833 4.433 0.174) 4.514 4.935 ( -0.415 1.563 -2.240) 2.762 4.943 ( -1.551 1.486 -0.447) 2.194 5.042 ( 0.291 -2.492 0.333) 2.530 5.080 ( 0.011 -0.851 -0.792) 1.163 5.175 ( 1.211 -3.188 1.694) 3.808 5.301 ( 0.570 0.730 -2.161) 2.351 5.356 ( -1.273 0.531 0.578) 1.496 5.373 ( 0.030 1.652 -2.703) 3.168 5.383 ( -0.207 -3.870 4.928) 6.270 5.447 ( -0.765 -1.550 3.776) 4.153 5.476 ( -2.803 4.218 -0.915) 5.146 5.508 ( -2.115 -0.389 0.295) 2.171 5.598 ( -1.202 1.726 -0.952) 2.309 5.658 ( -3.751 -3.070 -0.575) 4.882 5.787 ( 0.226 0.649 -3.310) 3.380 5.944 ( -2.226 -5.844 -1.679) 6.475 5.966 ( -1.324 -3.000 -0.590) 3.332 6.037 ( -0.401 6.240 0.103) 6.254 6.178 ( -1.504 1.521 -4.179) 4.695 6.273 ( -4.930 -5.129 7.372) 10.245 6.322 ( -0.229 -0.641 2.443) 2.536 6.398 ( 5.226 0.981 -0.851) 5.385 6.546 ( 1.072 -1.086 0.790) 1.718 6.690 ( 2.642 0.600 -2.199) 3.489 6.784 ( -0.919 -0.938 2.335) 2.679 6.899 ( -1.126 -1.897 4.972) 5.439 7.279 ( -12.851 -5.742 -9.831) 17.169 12.262 ( -1.089 -3.101 -0.241) 3.295 12.279 ( -0.807 -3.147 0.264) 3.260 12.534 ( 0.759 0.046 -0.251) 0.800 12.568 ( 0.852 1.726 -0.068) 1.926 12.791 ( -0.281 2.636 -0.146) 2.655 12.910 ( -0.489 3.745 0.322) 3.791 13.029 ( 0.959 -0.759 0.951) 1.549 13.070 ( -0.019 0.283 -0.565) 0.632 13.356 ( 0.297 0.868 0.225) 0.945 13.389 ( 0.452 1.815 -0.601) 1.965 13.492 ( -0.685 -0.222 0.541) 0.901 13.577 ( -1.385 -2.161 1.903) 3.196 13.683 ( 0.245 5.466 -1.603) 5.701 13.899 ( 0.334 0.949 -0.840) 1.310 14.077 ( -0.987 -0.821 1.062) 1.667 14.210 ( -0.773 -2.168 -0.395) 2.336 16.925 ( -0.682 -0.861 0.786) 1.351 16.992 ( -1.531 0.228 -0.759) 1.724 17.064 ( 0.489 1.098 0.459) 1.287 17.149 ( -0.628 0.370 -1.596) 1.755 17.234 ( -2.186 -0.133 0.096) 2.192 17.269 ( -0.603 0.030 0.827) 1.024 17.310 ( -0.316 0.676 -1.826) 1.973 17.381 ( -0.321 -0.500 0.012) 0.594 17.417 ( 0.275 -0.157 1.316) 1.354 17.432 ( 0.814 -0.166 -0.402) 0.923 17.622 ( -0.002 0.556 0.222) 0.599 17.647 ( -1.691 2.412 -3.127) 4.296 17.678 ( 0.102 -0.767 1.084) 1.332 17.772 ( -0.457 1.439 1.278) 1.978 17.863 ( 0.529 1.251 0.918) 1.639 17.902 ( -0.354 -2.745 -0.401) 2.797 18.335 ( 0.257 0.264 -0.378) 0.528 18.356 ( 1.757 -1.039 0.420) 2.084 18.451 ( 1.965 -0.863 1.029) 2.380 18.547 ( 0.764 -2.338 -1.961) 3.146 18.667 ( -2.226 0.087 0.595) 2.306 18.740 ( -0.781 -1.872 1.194) 2.354 18.830 ( 1.146 -2.864 -0.172) 3.089 18.839 ( 2.945 -2.622 -0.612) 3.991 27.795 ( -0.869 -0.117 -0.047) 0.878 27.799 ( -0.821 -0.213 0.047) 0.850 27.844 ( 1.244 -0.956 -0.079) 1.571 27.846 ( 1.344 -0.829 0.070) 1.581 28.293 ( -0.296 -0.210 0.012) 0.363 28.313 ( 0.617 -0.054 -0.019) 0.619 28.367 ( -0.656 -0.679 0.011) 0.944 28.381 ( -0.035 -0.455 -0.017) 0.457 30.409 ( 1.930 -0.182 -0.718) 2.067 30.441 ( 3.784 -1.741 1.139) 4.318 30.709 ( 0.041 -3.027 1.148) 3.237 30.800 ( -0.838 -4.580 -1.494) 4.890 31.127 ( -0.929 0.148 1.204) 1.528 31.159 ( -3.197 -0.422 -0.133) 3.227 31.480 ( 1.473 6.298 -0.842) 6.523 31.563 ( -0.531 0.551 0.858) 1.150 31.645 ( 0.554 0.868 -0.540) 1.163 31.773 ( 2.656 -0.694 0.739) 2.843 31.902 ( 0.164 3.817 -0.545) 3.859 32.024 ( 0.641 2.174 -2.249) 3.193 32.054 ( -0.997 -5.230 2.895) 6.061 32.239 ( 3.107 1.589 -0.913) 3.607 32.341 ( -0.448 1.267 -0.636) 1.487 32.402 ( 3.659 2.808 2.252) 5.133 32.701 ( -1.327 7.899 0.521) 8.027 32.857 ( 1.253 8.646 -1.857) 8.931 32.881 ( 5.172 -3.482 -2.675) 6.785 32.995 ( 5.955 6.974 3.285) 9.741 34.008 ( -11.365 -1.389 3.468) 11.963 34.137 ( -14.436 3.093 -6.992) 16.336 34.324 ( -13.558 0.763 1.062) 13.621 34.401 ( -10.246 -1.863 0.105) 10.414 ======================= Grid point 16 (11/55) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 6.812 15.627 -1.008) 17.077 1.053 ( 4.009 10.210 -1.529) 11.075 1.141 ( 0.508 8.480 -3.086) 9.038 1.235 ( -2.778 7.245 -0.463) 7.773 1.355 ( -2.413 2.167 2.002) 3.811 1.375 ( -0.351 4.392 0.209) 4.411 1.455 ( -3.448 4.464 5.149) 7.638 1.472 ( -3.323 3.158 -1.765) 4.912 1.602 ( -5.002 -1.893 -1.069) 5.454 1.633 ( -0.429 2.936 -0.677) 3.044 1.675 ( -2.642 4.995 5.883) 8.158 1.686 ( 2.701 0.869 1.847) 3.385 1.726 ( -0.413 6.276 1.778) 6.536 1.806 ( -1.872 6.898 -0.472) 7.163 1.847 ( 4.225 -1.129 -6.576) 7.898 1.961 ( 0.037 3.146 -4.318) 5.343 2.068 ( 7.665 3.314 -3.500) 9.055 2.199 ( 2.154 7.821 8.126) 11.482 2.318 ( -0.828 6.675 5.455) 8.660 2.441 ( 1.791 5.119 -2.471) 5.959 2.549 ( 4.919 9.128 -2.328) 10.627 2.624 ( 3.041 6.278 -3.977) 8.030 2.749 ( 4.444 2.996 -1.145) 5.480 2.849 ( 1.935 3.360 2.552) 4.642 3.233 ( -1.603 -1.534 1.446) 2.648 3.340 ( -0.056 -8.141 1.036) 8.207 3.518 ( 0.033 -6.674 0.883) 6.732 3.682 ( -1.026 -5.970 -0.277) 6.064 3.737 ( -0.298 -4.209 -1.550) 4.495 3.818 ( 0.977 6.099 0.504) 6.197 3.915 ( -0.738 4.172 2.088) 4.723 3.960 ( 1.354 -1.537 -0.257) 2.064 3.999 ( 0.441 -1.196 1.622) 2.063 4.124 ( -0.481 9.655 -2.680) 10.032 4.251 ( 0.914 2.092 1.891) 2.964 4.300 ( -0.010 -2.369 5.488) 5.978 4.340 ( 1.292 4.458 -3.363) 5.732 4.354 ( 0.878 0.149 0.969) 1.316 4.487 ( -0.770 -0.753 -0.656) 1.262 4.515 ( -2.928 1.072 -0.704) 3.197 4.547 ( 0.831 0.469 -3.188) 3.328 4.654 ( 0.969 2.008 1.835) 2.887 4.708 ( 1.875 2.593 -3.605) 4.820 4.849 ( 0.675 -1.772 3.682) 4.142 4.866 ( -1.099 3.965 0.166) 4.118 4.899 ( -1.867 3.511 -1.384) 4.211 4.913 ( -0.565 4.231 -1.859) 4.656 5.025 ( -0.094 -4.711 -1.541) 4.957 5.114 ( 2.094 0.673 1.061) 2.442 5.190 ( -0.873 -1.823 1.043) 2.274 5.292 ( -0.964 2.032 -0.315) 2.271 5.334 ( -0.741 -4.163 -1.247) 4.409 5.350 ( -0.400 -3.863 -3.279) 5.083 5.383 ( -1.762 -0.990 3.118) 3.716 5.433 ( -1.805 1.514 1.651) 2.877 5.444 ( -1.392 2.859 0.076) 3.181 5.524 ( 0.178 -3.416 6.360) 7.222 5.570 ( -3.749 0.812 0.880) 3.935 5.580 ( -0.389 -1.962 -3.653) 4.165 5.749 ( -0.185 -0.036 -4.401) 4.405 5.873 ( -3.692 -6.230 -0.348) 7.250 5.920 ( -2.146 -2.515 -3.574) 4.869 6.035 ( 1.403 8.119 -1.456) 8.367 6.153 ( -0.647 1.982 0.809) 2.237 6.237 ( -5.144 -0.532 8.418) 9.880 6.339 ( 0.114 1.289 2.494) 2.809 6.480 ( 3.852 -1.901 -8.311) 9.356 6.543 ( -2.943 5.042 8.676) 10.458 6.716 ( 1.614 -1.271 -1.924) 2.815 6.774 ( -4.259 -0.778 3.984) 5.883 6.834 ( -3.972 0.711 -10.554) 11.299 7.063 ( -3.099 0.747 1.561) 3.549 12.239 ( -1.103 -3.112 -0.309) 3.316 12.264 ( -0.946 -3.159 0.362) 3.318 12.548 ( 0.846 0.304 -0.255) 0.934 12.586 ( 1.089 1.526 0.189) 1.884 12.781 ( -0.432 3.270 -0.675) 3.367 12.904 ( -0.660 4.097 0.780) 4.222 13.051 ( 0.418 -0.624 -0.293) 0.806 13.070 ( 0.670 0.379 0.483) 0.909 13.366 ( 0.900 0.353 -0.302) 1.013 13.401 ( 0.983 0.900 0.259) 1.358 13.469 ( -1.732 0.165 -0.606) 1.842 13.575 ( -1.220 -2.394 3.593) 4.487 13.670 ( 0.199 5.351 -2.654) 5.976 13.901 ( 0.548 0.470 -0.845) 1.111 14.068 ( -1.028 -1.098 1.279) 1.975 14.190 ( -0.970 -1.484 -0.522) 1.848 16.922 ( -0.547 -0.979 1.147) 1.604 16.950 ( -1.959 0.371 -0.912) 2.192 17.077 ( 0.452 0.936 0.268) 1.073 17.121 ( -0.580 0.979 -2.130) 2.415 17.198 ( -1.470 0.936 0.682) 1.871 17.272 ( -0.455 0.281 1.244) 1.354 17.294 ( 0.301 0.151 -1.779) 1.811 17.380 ( 0.375 -0.535 -0.465) 0.802 17.428 ( -0.313 0.081 1.302) 1.341 17.434 ( -0.240 -0.013 -0.121) 0.269 17.612 ( -0.140 3.013 -1.231) 3.258 17.625 ( 0.421 -0.273 -0.377) 0.628 17.688 ( -0.114 0.120 1.068) 1.081 17.776 ( -0.802 0.670 2.420) 2.636 17.866 ( -1.026 0.139 -1.897) 2.161 17.888 ( 0.090 0.649 0.297) 0.720 18.349 ( 1.119 -0.298 0.652) 1.329 18.375 ( 0.300 -0.820 0.136) 0.884 18.497 ( 1.710 -1.977 0.085) 2.616 18.543 ( 0.783 -2.122 -2.274) 3.208 18.653 ( 0.110 -1.138 0.657) 1.319 18.728 ( -1.608 -2.332 1.263) 3.101 18.841 ( 1.090 -1.806 -1.059) 2.360 18.891 ( 2.243 -3.852 0.413) 4.476 27.782 ( -0.457 -0.166 -0.079) 0.492 27.787 ( -0.436 -0.168 0.072) 0.473 27.862 ( 0.820 -1.055 -0.177) 1.348 27.870 ( 1.081 -0.951 0.171) 1.450 28.291 ( 0.114 -0.171 -0.015) 0.206 28.319 ( -0.126 0.183 0.029) 0.224 28.359 ( -0.129 -0.822 -0.066) 0.835 28.379 ( -0.219 -0.440 0.054) 0.494 30.444 ( 2.391 -0.995 -0.821) 2.716 30.526 ( 4.191 -3.822 0.776) 5.724 30.716 ( -0.578 -3.303 1.252) 3.579 30.773 ( -0.580 -3.990 -1.195) 4.205 31.096 ( -3.022 -0.260 -0.139) 3.037 31.118 ( -1.160 -0.527 1.131) 1.704 31.502 ( 1.479 6.325 -0.837) 6.549 31.546 ( -0.973 2.914 0.452) 3.105 31.691 ( 3.381 -1.272 -0.072) 3.614 31.796 ( -0.167 -2.003 0.167) 2.017 31.895 ( -0.337 3.179 -1.260) 3.437 32.031 ( -1.073 2.203 6.457) 6.906 32.077 ( 2.856 -4.808 -3.969) 6.858 32.268 ( 1.241 2.154 -1.574) 2.943 32.334 ( 0.728 1.182 -1.468) 2.020 32.503 ( 3.673 1.866 3.023) 5.110 32.705 ( 1.924 9.324 2.101) 9.749 32.893 ( 3.935 6.825 -1.448) 8.010 32.973 ( 7.764 -4.986 -4.507) 10.269 33.162 ( 9.213 6.321 3.392) 11.676 33.628 ( -23.733 18.708 -8.325) 31.346 33.859 ( -13.545 0.211 7.639) 15.552 34.103 ( -10.765 -1.163 -1.168) 10.891 34.216 ( -12.945 1.175 1.149) 13.049 ======================= Grid point 17 (12/55) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 3.786 8.615 2.161) 9.655 1.065 ( 0.618 9.210 -0.889) 9.274 1.157 ( 2.546 6.715 -2.466) 7.593 1.198 ( -1.079 5.975 -1.491) 6.252 1.312 ( -2.713 4.634 3.009) 6.155 1.334 ( -2.520 3.242 0.143) 4.109 1.388 ( -3.503 4.089 -3.905) 6.651 1.411 ( -1.688 4.367 -0.939) 4.775 1.586 ( 0.517 -1.078 3.449) 3.650 1.627 ( -0.096 1.043 2.669) 2.867 1.690 ( -0.325 4.604 4.096) 6.171 1.735 ( -0.337 4.287 1.348) 4.507 1.736 ( 1.011 2.279 -0.730) 2.598 1.755 ( -2.379 5.156 -2.483) 6.198 1.838 ( 0.876 -4.283 -4.596) 6.343 1.991 ( 4.249 2.934 -0.946) 5.250 2.173 ( 5.362 5.248 -3.018) 8.087 2.258 ( -1.022 10.565 2.369) 10.876 2.318 ( -2.577 7.461 4.633) 9.153 2.464 ( 1.559 6.466 -0.814) 6.701 2.606 ( 0.622 9.976 1.569) 10.118 2.650 ( 4.636 5.353 -5.116) 8.736 2.798 ( 0.976 5.103 -0.289) 5.203 2.880 ( -0.153 2.637 1.589) 3.083 3.222 ( -0.555 0.339 0.734) 0.980 3.346 ( -0.009 -8.321 0.471) 8.334 3.529 ( 0.279 -7.316 0.351) 7.329 3.638 ( -1.752 -8.030 -0.277) 8.223 3.746 ( 0.950 -2.767 -0.529) 2.973 3.847 ( 1.324 6.605 0.285) 6.742 3.913 ( -0.708 2.828 0.635) 2.983 3.966 ( -0.555 3.374 0.547) 3.462 4.016 ( 0.670 -5.941 -0.099) 5.980 4.110 ( 0.244 11.446 -0.685) 11.469 4.269 ( -0.374 -1.133 1.842) 2.195 4.312 ( -0.124 -4.040 -0.588) 4.084 4.350 ( 0.527 0.965 0.487) 1.203 4.390 ( 1.492 3.961 0.824) 4.312 4.441 ( -1.905 3.844 -1.543) 4.559 4.489 ( 0.163 -1.728 -0.422) 1.786 4.546 ( 0.326 -2.180 -0.724) 2.320 4.687 ( 0.316 1.295 3.634) 3.871 4.713 ( 1.281 1.435 -4.095) 4.524 4.846 ( -0.621 3.442 -0.229) 3.505 4.857 ( -1.361 3.417 0.301) 3.690 4.878 ( -0.313 1.872 2.296) 2.979 4.895 ( 0.210 4.436 -2.066) 4.898 5.025 ( 0.970 -4.711 -1.449) 5.023 5.145 ( -0.538 -1.954 2.229) 3.012 5.172 ( -0.086 -0.138 -1.415) 1.425 5.258 ( -1.620 6.304 0.205) 6.512 5.321 ( -0.541 -1.168 1.084) 1.683 5.330 ( 0.744 -12.674 -2.128) 12.873 5.392 ( -0.457 0.297 0.986) 1.126 5.417 ( 0.233 -0.657 -0.573) 0.902 5.446 ( 0.358 1.809 1.734) 2.531 5.504 ( -2.140 -1.318 0.025) 2.513 5.540 ( -0.876 3.409 1.215) 3.724 5.559 ( -1.489 -5.430 -1.298) 5.778 5.742 ( 1.449 -0.682 -1.432) 2.148 5.833 ( -1.046 -6.254 0.587) 6.368 5.859 ( -1.368 -0.438 -1.248) 1.903 6.064 ( 2.990 8.641 -2.461) 9.469 6.135 ( -2.586 0.746 2.313) 3.549 6.232 ( -1.545 4.741 4.582) 6.772 6.369 ( 0.288 3.852 3.329) 5.099 6.399 ( -1.908 0.823 -5.232) 5.629 6.585 ( -1.358 2.518 1.203) 3.103 6.645 ( -2.470 2.432 -1.888) 3.948 6.733 ( 0.626 -1.493 -1.417) 2.151 6.780 ( -0.252 -0.682 -0.551) 0.913 7.075 ( 0.529 0.857 1.403) 1.727 12.222 ( -0.458 -3.096 -0.145) 3.133 12.254 ( -0.372 -3.215 0.177) 3.241 12.557 ( 0.318 0.586 -0.110) 0.676 12.604 ( 0.545 1.136 0.207) 1.277 12.768 ( -0.257 3.736 -0.491) 3.777 12.900 ( -0.296 4.382 0.455) 4.416 13.046 ( -0.079 -0.540 -0.519) 0.753 13.091 ( 0.562 0.454 0.553) 0.910 13.386 ( 1.454 -0.127 -0.215) 1.475 13.417 ( -0.405 0.158 0.839) 0.945 13.433 ( -0.860 0.384 -1.006) 1.378 13.584 ( -0.563 -3.949 2.238) 4.574 13.653 ( 0.092 6.783 -1.819) 7.023 13.904 ( 0.288 -0.173 -0.323) 0.466 14.061 ( -0.442 -1.284 0.553) 1.466 14.173 ( -0.427 -0.896 -0.238) 1.021 16.918 ( -0.768 0.367 -0.365) 0.926 16.923 ( -0.214 -1.083 0.520) 1.220 17.083 ( 0.046 0.637 0.084) 0.644 17.102 ( -0.126 1.291 -0.913) 1.586 17.190 ( -0.164 1.105 0.379) 1.179 17.264 ( -0.611 0.612 0.161) 0.880 17.299 ( 0.616 -0.418 -0.234) 0.781 17.384 ( 0.391 -1.000 -0.452) 1.165 17.426 ( -0.660 0.513 0.607) 1.033 17.428 ( -0.150 0.486 0.066) 0.513 17.613 ( 0.436 2.797 -0.075) 2.832 17.629 ( 0.341 -1.170 -0.477) 1.308 17.691 ( -0.175 0.942 0.574) 1.117 17.778 ( -1.122 -0.110 2.286) 2.549 17.826 ( -0.329 1.623 -2.597) 3.081 17.897 ( 0.220 1.727 0.298) 1.767 18.375 ( 0.658 -0.845 0.712) 1.286 18.377 ( 0.016 -0.498 0.162) 0.524 18.504 ( 0.055 -1.726 -0.873) 1.935 18.547 ( 0.598 -2.286 -0.557) 2.428 18.671 ( 1.042 -2.104 0.090) 2.350 18.707 ( -1.372 -2.506 0.701) 2.941 18.850 ( 0.500 -1.352 -0.604) 1.563 18.922 ( 0.754 -4.463 0.333) 4.539 27.776 ( -0.149 -0.211 -0.052) 0.263 27.783 ( -0.112 -0.138 0.048) 0.184 27.871 ( 0.276 -1.039 -0.089) 1.079 27.885 ( 0.407 -1.042 0.088) 1.122 28.296 ( 0.399 -0.039 -0.031) 0.402 28.311 ( -0.577 0.062 0.041) 0.582 28.361 ( 0.243 -0.613 -0.063) 0.663 28.375 ( -0.201 -0.604 0.056) 0.639 30.472 ( 1.042 -1.538 -0.340) 1.889 30.589 ( 1.975 -4.775 0.090) 5.168 30.708 ( -0.667 -3.332 0.417) 3.423 30.763 ( -0.090 -3.907 -0.149) 3.911 31.056 ( -1.155 -0.104 -0.103) 1.164 31.108 ( -0.523 -1.051 0.441) 1.254 31.515 ( 0.493 7.072 -0.354) 7.098 31.542 ( -0.047 2.897 0.239) 2.907 31.745 ( 2.897 -2.161 -1.002) 3.751 31.780 ( -1.982 -2.382 1.151) 3.306 31.882 ( -0.097 3.185 -0.656) 3.253 32.064 ( -0.919 -3.531 4.844) 6.064 32.087 ( 1.665 0.778 -3.204) 3.694 32.270 ( 0.527 1.424 -1.442) 2.094 32.339 ( 0.478 1.570 -0.504) 1.717 32.544 ( 0.062 1.905 0.572) 1.990 32.842 ( 8.859 12.320 6.120) 16.362 32.953 ( 2.702 5.162 -0.671) 5.865 33.044 ( 1.753 -2.546 -8.022) 8.597 33.225 ( -12.901 13.842 -1.630) 18.992 33.353 ( 8.108 0.744 0.944) 8.197 33.723 ( -7.838 5.826 8.769) 13.125 33.888 ( -8.261 6.368 -5.237) 11.671 34.029 ( -6.086 0.670 0.222) 6.127 ======================= Grid point 21 (13/55) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 16.474 0.000) 16.474 1.309 ( 0.000 7.532 0.000) 7.532 1.341 ( 0.000 13.715 0.000) 13.715 1.363 ( 0.000 4.847 0.000) 4.847 1.460 ( 0.000 3.725 0.000) 3.725 1.522 ( 0.000 6.808 0.000) 6.808 1.559 ( 0.000 0.814 0.000) 0.814 1.592 ( 0.000 0.098 0.000) 0.098 1.648 ( 0.000 3.420 0.000) 3.420 1.697 ( 0.000 3.475 0.000) 3.475 1.729 ( 0.000 1.543 0.000) 1.543 1.731 ( 0.000 1.804 0.000) 1.804 1.870 ( 0.000 1.638 0.000) 1.638 1.927 ( 0.000 5.853 0.000) 5.853 2.044 ( 0.000 1.122 0.000) 1.122 2.066 ( 0.000 8.518 0.000) 8.518 2.137 ( 0.000 10.322 0.000) 10.322 2.181 ( 0.000 2.011 0.000) 2.011 2.209 ( 0.000 5.181 0.000) 5.181 2.448 ( 0.000 -3.583 0.000) 3.583 2.584 ( 0.000 2.977 0.000) 2.977 2.592 ( 0.000 4.412 0.000) 4.412 2.712 ( 0.000 -0.359 0.000) 0.359 2.839 ( 0.000 2.594 0.000) 2.594 3.128 ( 0.000 -6.933 0.000) 6.933 3.180 ( 0.000 -6.702 0.000) 6.702 3.407 ( 0.000 -8.213 0.000) 8.213 3.561 ( 0.000 -5.444 0.000) 5.444 3.690 ( 0.000 -2.547 0.000) 2.547 3.771 ( 0.000 -8.645 0.000) 8.645 3.875 ( 0.000 -7.260 0.000) 7.260 3.988 ( 0.000 7.849 0.000) 7.849 4.057 ( 0.000 5.089 0.000) 5.089 4.184 ( 0.000 -0.078 0.000) 0.078 4.314 ( 0.000 -1.630 0.000) 1.630 4.334 ( 0.000 4.803 0.000) 4.803 4.435 ( 0.000 7.437 0.000) 7.437 4.464 ( 0.000 -1.789 0.000) 1.789 4.487 ( 0.000 9.234 0.000) 9.234 4.590 ( 0.000 2.748 0.000) 2.748 4.662 ( 0.000 -1.717 0.000) 1.717 4.671 ( 0.000 2.044 0.000) 2.044 4.704 ( 0.000 2.202 0.000) 2.202 4.777 ( 0.000 2.066 0.000) 2.066 4.842 ( 0.000 -4.084 0.000) 4.084 4.943 ( 0.000 -1.686 0.000) 1.686 4.953 ( 0.000 1.654 0.000) 1.654 5.013 ( 0.000 -1.050 0.000) 1.050 5.133 ( 0.000 3.050 0.000) 3.050 5.141 ( 0.000 0.011 0.000) 0.011 5.227 ( 0.000 -5.497 0.000) 5.497 5.293 ( 0.000 -1.593 0.000) 1.593 5.311 ( 0.000 -0.487 0.000) 0.487 5.352 ( 0.000 -2.331 0.000) 2.331 5.508 ( 0.000 3.123 0.000) 3.123 5.592 ( 0.000 -3.803 0.000) 3.803 5.607 ( 0.000 4.643 0.000) 4.643 5.649 ( 0.000 1.088 0.000) 1.088 5.729 ( 0.000 10.036 0.000) 10.036 5.764 ( 0.000 0.360 0.000) 0.360 5.923 ( 0.000 1.114 0.000) 1.114 5.963 ( 0.000 2.000 0.000) 2.000 6.142 ( 0.000 4.326 0.000) 4.326 6.226 ( 0.000 0.087 0.000) 0.087 6.252 ( 0.000 -0.994 0.000) 0.994 6.284 ( 0.000 -1.254 0.000) 1.254 6.338 ( 0.000 0.636 0.000) 0.636 6.526 ( 0.000 0.120 0.000) 0.120 6.659 ( 0.000 -3.016 0.000) 3.016 6.772 ( 0.000 -0.084 0.000) 0.084 6.785 ( 0.000 -6.601 0.000) 6.601 7.173 ( 0.000 -14.303 0.000) 14.303 12.220 ( 0.000 -2.237 0.000) 2.237 12.228 ( 0.000 -2.376 0.000) 2.376 12.538 ( 0.000 0.944 0.000) 0.944 12.582 ( 0.000 0.471 0.000) 0.471 12.842 ( 0.000 2.520 0.000) 2.520 12.973 ( 0.000 2.352 0.000) 2.352 12.989 ( 0.000 -1.711 0.000) 1.711 13.067 ( 0.000 -0.830 0.000) 0.830 13.378 ( 0.000 1.342 0.000) 1.342 13.434 ( 0.000 2.048 0.000) 2.048 13.471 ( 0.000 -1.535 0.000) 1.535 13.538 ( 0.000 -2.215 0.000) 2.215 13.808 ( 0.000 5.891 0.000) 5.891 13.933 ( 0.000 1.881 0.000) 1.881 14.074 ( 0.000 -0.037 0.000) 0.037 14.167 ( 0.000 -2.682 0.000) 2.682 16.944 ( 0.000 1.962 0.000) 1.962 17.017 ( 0.000 0.579 0.000) 0.579 17.089 ( 0.000 1.736 0.000) 1.736 17.165 ( 0.000 -0.010 0.000) 0.010 17.240 ( 0.000 -0.601 0.000) 0.601 17.251 ( 0.000 -1.404 0.000) 1.404 17.335 ( 0.000 0.502 0.000) 0.502 17.377 ( 0.000 -0.621 0.000) 0.621 17.412 ( 0.000 0.615 0.000) 0.615 17.427 ( 0.000 0.532 0.000) 0.532 17.632 ( 0.000 0.116 0.000) 0.116 17.645 ( 0.000 -0.991 0.000) 0.991 17.701 ( 0.000 0.697 0.000) 0.697 17.814 ( 0.000 1.925 0.000) 1.925 17.832 ( 0.000 -3.430 0.000) 3.430 17.869 ( 0.000 0.275 0.000) 0.275 18.343 ( 0.000 1.206 0.000) 1.206 18.349 ( 0.000 1.062 0.000) 1.062 18.421 ( 0.000 -0.709 0.000) 0.709 18.492 ( 0.000 -2.962 0.000) 2.962 18.697 ( 0.000 -0.647 0.000) 0.647 18.714 ( 0.000 -0.887 0.000) 0.887 18.739 ( 0.000 -2.312 0.000) 2.312 18.772 ( 0.000 -2.803 0.000) 2.803 27.807 ( 0.000 -0.139 0.000) 0.139 27.809 ( 0.000 -0.172 0.000) 0.172 27.811 ( 0.000 -0.550 0.000) 0.550 27.812 ( 0.000 -0.524 0.000) 0.524 28.304 ( 0.000 0.355 0.000) 0.355 28.305 ( 0.000 0.616 0.000) 0.616 28.362 ( 0.000 -0.780 0.000) 0.780 28.363 ( 0.000 -1.041 0.000) 1.041 30.405 ( 0.000 1.571 0.000) 1.571 30.421 ( 0.000 2.140 0.000) 2.140 30.629 ( 0.000 -4.313 0.000) 4.313 30.703 ( 0.000 -5.904 0.000) 5.904 31.142 ( 0.000 0.415 0.000) 0.415 31.176 ( 0.000 -0.839 0.000) 0.839 31.528 ( 0.000 -0.306 0.000) 0.306 31.561 ( 0.000 2.186 0.000) 2.186 31.726 ( 0.000 1.416 0.000) 1.416 31.738 ( 0.000 2.605 0.000) 2.605 31.929 ( 0.000 -4.595 0.000) 4.595 31.950 ( 0.000 0.034 0.000) 0.034 32.100 ( 0.000 2.641 0.000) 2.641 32.217 ( 0.000 0.695 0.000) 0.695 32.357 ( 0.000 -1.295 0.000) 1.295 32.396 ( 0.000 0.965 0.000) 0.965 32.780 ( 0.000 -2.117 0.000) 2.117 32.815 ( 0.000 1.154 0.000) 1.154 33.013 ( 0.000 4.823 0.000) 4.823 33.057 ( 0.000 6.321 0.000) 6.321 34.118 ( 0.000 4.613 0.000) 4.613 34.231 ( 0.000 0.072 0.000) 0.072 34.325 ( 0.000 -1.768 0.000) 1.768 34.554 ( 0.000 -3.859 0.000) 3.859 ======================= Grid point 22 (14/55) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 4.397 15.056 -2.583) 15.897 1.288 ( -5.755 7.827 1.999) 9.919 1.320 ( 0.794 6.887 -0.392) 6.943 1.362 ( -0.595 7.046 3.722) 7.990 1.447 ( -3.870 4.543 2.091) 6.323 1.490 ( -2.084 5.287 -1.943) 6.006 1.551 ( -2.672 0.983 -0.219) 2.856 1.575 ( -0.493 1.216 1.083) 1.702 1.625 ( -0.516 1.004 -1.223) 1.665 1.683 ( -1.956 1.927 -1.307) 3.041 1.718 ( -0.230 2.368 0.906) 2.546 1.765 ( 1.121 2.497 -0.131) 2.740 1.840 ( -1.403 0.259 -3.883) 4.137 1.933 ( -0.464 7.979 2.930) 8.512 2.051 ( 4.547 11.064 -7.091) 13.906 2.055 ( -2.916 1.696 1.636) 3.749 2.085 ( 2.420 8.855 -5.207) 10.554 2.228 ( 2.286 8.134 8.236) 11.799 2.326 ( 4.940 1.987 5.368) 7.561 2.492 ( 5.505 -1.747 -2.564) 6.319 2.589 ( 0.755 4.928 -1.021) 5.089 2.619 ( 3.502 0.604 -1.315) 3.790 2.743 ( 2.725 0.604 1.079) 2.992 2.848 ( 0.908 1.931 0.285) 2.153 3.126 ( 0.315 -6.924 -0.754) 6.972 3.196 ( 0.683 -6.406 1.822) 6.695 3.380 ( -2.915 -7.708 1.268) 8.338 3.564 ( 0.063 -6.568 -0.975) 6.641 3.687 ( 0.307 -2.173 -0.650) 2.288 3.769 ( 0.562 -8.908 -1.402) 9.035 3.858 ( -3.630 -5.908 5.069) 8.589 4.005 ( 3.224 5.844 -3.908) 7.734 4.066 ( -0.544 5.019 2.736) 5.742 4.186 ( 2.038 -0.471 -3.894) 4.420 4.317 ( -1.095 -2.960 1.105) 3.344 4.336 ( 0.118 6.346 1.498) 6.522 4.430 ( -0.942 6.341 1.338) 6.549 4.464 ( 0.517 -1.001 -1.099) 1.574 4.487 ( 0.417 8.568 -0.798) 8.615 4.573 ( -1.634 2.113 -0.273) 2.685 4.641 ( -0.508 1.026 -1.829) 2.158 4.681 ( -0.032 3.487 0.152) 3.491 4.732 ( 1.459 -1.768 2.812) 3.628 4.762 ( 1.102 1.817 -5.403) 5.806 4.835 ( -1.731 -4.618 2.233) 5.413 4.924 ( -0.677 -0.198 -0.161) 0.724 4.968 ( -0.003 1.120 0.994) 1.497 5.021 ( -0.367 -1.818 1.438) 2.347 5.124 ( -0.882 0.553 0.075) 1.044 5.138 ( 0.409 -0.244 -1.223) 1.313 5.198 ( -2.822 -3.816 -0.277) 4.755 5.302 ( -0.785 -0.748 -0.230) 1.108 5.310 ( 1.182 -0.836 1.211) 1.888 5.354 ( -0.241 -3.219 0.676) 3.298 5.491 ( -2.406 3.966 1.727) 4.949 5.550 ( -2.516 -1.526 -2.504) 3.864 5.606 ( -0.405 5.771 0.168) 5.787 5.624 ( -1.944 1.479 -0.797) 2.569 5.728 ( -0.079 9.848 -0.114) 9.849 5.765 ( -0.856 -0.601 0.948) 1.412 5.902 ( -1.592 1.976 -1.432) 2.913 5.917 ( -3.128 0.632 -1.854) 3.691 6.156 ( 0.725 4.732 0.380) 4.802 6.218 ( -1.175 1.647 -1.171) 2.338 6.238 ( -0.858 0.149 3.830) 3.928 6.295 ( 0.620 -2.035 1.284) 2.485 6.391 ( 5.096 -1.172 -2.775) 5.920 6.538 ( 0.535 -0.221 1.805) 1.895 6.671 ( 0.718 -3.319 0.853) 3.501 6.770 ( 0.375 0.071 -0.891) 0.969 6.811 ( -0.059 -7.159 3.361) 7.909 7.101 ( -4.600 -10.021 -4.486) 11.904 12.208 ( -1.042 -2.142 -0.180) 2.389 12.221 ( -0.795 -2.423 0.205) 2.558 12.545 ( 0.775 0.949 -0.092) 1.229 12.590 ( 0.837 0.447 -0.157) 0.962 12.845 ( 0.152 2.727 0.158) 2.736 12.970 ( -0.471 2.271 0.736) 2.434 13.003 ( 1.358 -1.669 -0.008) 2.152 13.065 ( 0.127 -0.753 -0.531) 0.930 13.378 ( -0.085 1.237 0.238) 1.263 13.426 ( -0.182 1.612 -0.814) 1.815 13.478 ( -0.189 -1.180 1.135) 1.648 13.527 ( -1.021 -2.315 -0.252) 2.542 13.806 ( -0.213 6.085 0.025) 6.089 13.929 ( -0.158 1.703 -0.536) 1.792 14.067 ( -0.727 -0.026 0.187) 0.752 14.164 ( -0.342 -2.410 0.043) 2.435 16.937 ( -0.916 1.710 0.609) 2.033 17.000 ( -1.568 0.474 -0.502) 1.713 17.096 ( 0.597 1.957 0.352) 2.076 17.159 ( -0.273 0.385 -1.029) 1.132 17.227 ( -1.237 -0.425 0.367) 1.359 17.257 ( 0.434 -1.196 0.016) 1.272 17.323 ( -0.680 0.689 -1.062) 1.437 17.367 ( -1.024 -0.771 0.611) 1.420 17.421 ( 0.572 0.531 0.628) 1.001 17.437 ( 0.752 0.437 -0.251) 0.905 17.623 ( -0.330 -0.088 -0.326) 0.472 17.662 ( 1.072 -0.858 0.322) 1.410 17.689 ( -0.606 1.670 -1.218) 2.154 17.795 ( -2.070 0.131 2.191) 3.017 17.848 ( 1.540 -1.624 -1.640) 2.775 17.880 ( 0.813 0.257 0.457) 0.968 18.347 ( 0.161 1.002 -0.271) 1.050 18.353 ( 0.621 0.664 0.358) 0.977 18.433 ( 0.966 -1.096 0.576) 1.571 18.493 ( 0.504 -2.925 -0.926) 3.109 18.666 ( -2.143 -0.139 0.218) 2.158 18.703 ( -1.088 -1.675 0.548) 2.071 18.772 ( 1.742 -2.530 0.051) 3.072 18.787 ( 1.963 -2.449 -0.419) 3.166 27.794 ( -0.647 0.102 -0.019) 0.655 27.797 ( -0.638 0.063 0.021) 0.642 27.826 ( 0.927 -0.791 -0.059) 1.220 27.829 ( 1.036 -0.830 0.060) 1.328 28.295 ( -0.367 0.413 0.018) 0.553 28.317 ( 0.692 0.460 -0.006) 0.831 28.351 ( -0.678 -0.906 -0.005) 1.132 28.369 ( 0.184 -0.720 0.004) 0.743 30.419 ( 1.232 1.310 -0.191) 1.808 30.437 ( 1.805 1.330 0.357) 2.270 30.633 ( 0.035 -4.349 0.736) 4.411 30.695 ( -0.436 -5.589 -0.841) 5.669 31.130 ( -1.600 0.098 0.661) 1.734 31.150 ( -2.354 -0.467 -0.283) 2.416 31.534 ( 0.996 0.723 -0.158) 1.241 31.591 ( 2.364 1.248 0.101) 2.676 31.683 ( -1.382 2.444 -0.824) 2.926 31.773 ( 0.685 0.529 0.645) 1.080 31.920 ( -0.270 -2.820 -0.197) 2.839 31.970 ( 1.425 -1.874 -0.845) 2.502 32.081 ( -1.183 3.148 1.563) 3.708 32.260 ( 4.048 0.237 -1.440) 4.303 32.339 ( -0.752 -0.602 -0.565) 1.117 32.439 ( 1.983 0.584 4.068) 4.563 32.782 ( 0.078 0.007 1.391) 1.393 32.827 ( 3.609 -1.257 -4.888) 6.205 32.997 ( -0.051 5.584 -0.882) 5.653 33.123 ( 4.825 3.948 1.835) 6.498 34.046 ( -7.788 5.336 2.115) 9.674 34.161 ( -5.442 2.405 -2.288) 6.375 34.325 ( -5.347 -1.004 4.875) 7.305 34.400 ( -12.005 -0.105 -5.005) 13.007 ======================= Grid point 23 (15/55) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -0.816 9.841 -1.219) 9.949 1.209 ( -2.229 6.174 0.481) 6.581 1.325 ( -0.603 4.394 -0.130) 4.438 1.363 ( -4.578 3.749 -1.763) 6.175 1.387 ( -1.427 0.877 5.044) 5.315 1.444 ( -1.359 5.448 1.695) 5.865 1.500 ( -1.893 3.506 -1.478) 4.250 1.545 ( -3.608 2.045 2.183) 4.687 1.586 ( -3.968 3.654 -1.756) 5.673 1.652 ( 0.548 -1.215 0.476) 1.416 1.716 ( -0.318 2.584 -0.498) 2.651 1.750 ( -2.471 -0.474 -1.897) 3.151 1.811 ( 3.466 2.854 -5.460) 7.069 1.953 ( -0.048 11.215 3.753) 11.826 1.982 ( -4.324 7.327 0.889) 8.554 2.076 ( 3.309 10.335 -3.727) 11.474 2.200 ( 11.791 9.608 -7.157) 16.810 2.351 ( 2.625 6.713 9.205) 11.691 2.432 ( 1.643 3.143 5.203) 6.297 2.561 ( 3.584 5.287 -2.538) 6.873 2.633 ( 5.034 0.873 -0.748) 5.164 2.663 ( 1.831 -1.449 -0.345) 2.360 2.809 ( 3.981 2.872 -1.442) 5.116 2.880 ( 1.745 -0.354 1.575) 2.377 3.133 ( 1.184 -7.442 -0.882) 7.587 3.219 ( -0.257 -4.495 2.430) 5.117 3.345 ( -1.777 -8.449 1.440) 8.753 3.531 ( -2.066 -8.006 -2.399) 8.610 3.699 ( 0.852 -0.308 0.626) 1.101 3.769 ( 0.350 -10.633 -0.429) 10.647 3.849 ( -0.819 -6.312 3.147) 7.101 4.028 ( 2.271 5.073 -3.765) 6.713 4.071 ( -1.368 4.073 2.803) 5.130 4.193 ( 2.220 -0.379 -4.348) 4.896 4.297 ( -1.959 0.406 1.252) 2.360 4.352 ( 0.492 2.674 1.312) 3.019 4.429 ( 0.007 4.566 0.884) 4.651 4.459 ( -0.452 4.925 -0.886) 5.025 4.494 ( 0.763 2.765 -0.328) 2.887 4.534 ( -2.207 2.161 -0.042) 3.089 4.612 ( -1.054 4.162 -1.296) 4.484 4.688 ( 0.205 1.662 0.967) 1.933 4.740 ( 1.218 -0.013 -4.190) 4.363 4.779 ( 0.534 -3.833 2.339) 4.522 4.820 ( -0.523 -5.113 0.316) 5.149 4.925 ( 0.954 0.464 -0.450) 1.152 4.961 ( -2.147 1.049 1.579) 2.864 5.000 ( -2.729 -2.756 1.185) 4.055 5.120 ( -0.306 -4.084 -1.335) 4.308 5.132 ( 0.506 -2.233 -1.896) 2.973 5.142 ( -2.680 1.652 2.257) 3.873 5.278 ( -1.655 -0.973 0.693) 2.041 5.336 ( -1.433 -2.617 -0.298) 2.998 5.352 ( 1.450 -2.117 -0.009) 2.566 5.463 ( -2.094 3.855 1.937) 4.795 5.489 ( -1.731 2.650 -1.629) 3.560 5.583 ( -1.667 3.873 -1.032) 4.341 5.602 ( -0.710 6.268 2.139) 6.661 5.720 ( -1.787 8.455 2.020) 8.874 5.746 ( 0.209 0.465 -2.987) 3.031 5.832 ( -1.712 3.634 -5.276) 6.631 5.877 ( -2.334 -0.983 2.307) 3.426 6.164 ( 0.971 4.716 -1.281) 4.983 6.209 ( 0.172 3.538 0.373) 3.562 6.258 ( -0.947 0.677 5.297) 5.424 6.321 ( 1.320 -3.220 0.534) 3.520 6.431 ( 2.021 -2.409 -4.726) 5.676 6.585 ( 1.931 -0.823 4.196) 4.692 6.676 ( -3.286 -3.242 3.617) 5.865 6.757 ( -4.027 -2.320 3.512) 5.825 6.785 ( 1.750 -3.366 -10.605) 11.263 7.030 ( -0.314 -3.720 0.758) 3.810 12.186 ( -1.070 -2.028 -0.223) 2.304 12.206 ( -0.965 -2.472 0.266) 2.667 12.561 ( 0.957 0.955 -0.104) 1.356 12.605 ( 0.894 0.338 -0.081) 0.959 12.846 ( -0.016 3.169 -0.271) 3.181 12.971 ( -0.193 2.655 1.028) 2.854 13.024 ( 0.825 -1.971 -0.836) 2.294 13.069 ( 0.690 -0.485 0.422) 0.944 13.379 ( 0.353 0.929 -0.276) 1.031 13.422 ( -0.037 1.064 0.456) 1.158 13.469 ( -1.188 -0.276 -0.476) 1.310 13.509 ( -0.850 -3.175 0.501) 3.325 13.802 ( -0.228 6.501 0.070) 6.505 13.920 ( -0.302 1.194 -0.610) 1.374 14.055 ( -0.758 -0.042 0.197) 0.784 14.157 ( -0.399 -1.768 0.065) 1.814 16.926 ( -0.834 1.176 0.837) 1.667 16.963 ( -1.798 0.747 -0.576) 2.030 17.106 ( 0.049 1.729 0.106) 1.733 17.142 ( -0.368 0.939 -1.216) 1.580 17.214 ( -0.413 0.522 0.823) 1.058 17.265 ( 0.302 -0.921 0.311) 1.018 17.297 ( -0.867 0.383 -1.746) 1.987 17.360 ( -0.390 -1.246 0.771) 1.516 17.436 ( 0.262 0.644 0.872) 1.115 17.442 ( 0.230 0.575 -0.420) 0.748 17.618 ( 0.157 -0.002 -0.572) 0.593 17.671 ( -0.191 2.600 -0.881) 2.752 17.681 ( 0.644 -0.876 0.454) 1.178 17.779 ( -1.687 -0.568 2.257) 2.875 17.857 ( 0.885 -0.172 -1.749) 1.968 17.899 ( 0.752 0.100 0.434) 0.874 18.352 ( 0.489 0.642 0.108) 0.815 18.367 ( 0.566 0.233 0.155) 0.631 18.456 ( 0.891 -2.123 0.258) 2.317 18.494 ( 0.502 -2.651 -1.020) 2.885 18.642 ( -0.698 -0.097 0.312) 0.770 18.684 ( -1.382 -1.847 0.508) 2.362 18.797 ( 1.348 -2.283 -0.358) 2.675 18.821 ( 1.530 -2.994 0.079) 3.363 27.785 ( -0.376 0.388 -0.086) 0.547 27.789 ( -0.296 0.325 0.086) 0.448 27.840 ( 0.651 -1.100 -0.121) 1.283 27.847 ( 0.843 -1.213 0.125) 1.482 28.292 ( 0.047 0.264 0.002) 0.268 28.322 ( -0.401 -0.000 0.015) 0.401 28.345 ( 0.265 -0.364 -0.009) 0.451 28.370 ( -0.105 -0.465 0.011) 0.477 30.440 ( 1.363 0.754 -0.578) 1.661 30.484 ( 2.546 -0.353 0.607) 2.641 30.636 ( -0.380 -4.365 0.629) 4.427 30.680 ( -0.346 -4.973 -0.613) 5.023 31.092 ( -2.518 -0.052 -0.088) 2.520 31.112 ( -1.630 -0.270 0.494) 1.724 31.557 ( 1.338 1.259 -0.026) 1.837 31.618 ( 0.237 2.276 0.412) 2.325 31.684 ( 2.297 0.787 -1.380) 2.792 31.773 ( -0.887 -0.534 0.365) 1.098 31.908 ( -0.962 -1.784 0.247) 2.042 31.973 ( 0.291 -3.401 -2.450) 4.202 32.108 ( 1.354 3.493 4.088) 5.545 32.307 ( 2.187 1.450 -3.019) 4.000 32.334 ( 1.261 -0.672 -0.694) 1.588 32.504 ( 0.472 -1.440 4.694) 4.932 32.824 ( 3.049 2.508 3.175) 5.066 32.873 ( 5.936 -4.237 -5.036) 8.863 33.009 ( 2.252 4.999 -1.178) 5.608 33.229 ( 4.952 -0.283 1.024) 5.065 33.918 ( -9.521 10.641 1.624) 14.370 33.954 ( -13.411 8.185 -4.124) 16.244 34.118 ( -8.806 2.546 -1.226) 9.248 34.255 ( -8.940 1.751 3.176) 9.648 ======================= Grid point 24 (16/55) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -2.142 4.812 1.862) 5.587 1.185 ( -0.557 2.555 -2.599) 3.687 1.283 ( -1.755 2.737 -0.732) 3.333 1.305 ( -1.552 -0.980 0.690) 1.961 1.404 ( 1.464 5.172 0.413) 5.391 1.440 ( -2.041 6.544 0.660) 6.886 1.473 ( -0.247 5.377 -0.016) 5.382 1.502 ( -2.611 2.299 0.567) 3.525 1.539 ( -0.367 3.459 3.307) 4.799 1.649 ( -0.739 -3.034 -2.838) 4.219 1.698 ( -0.226 -1.453 -1.614) 2.183 1.703 ( -0.240 2.854 -0.809) 2.976 1.849 ( 3.627 5.422 -2.263) 6.904 1.914 ( -4.019 8.104 1.680) 9.200 1.980 ( 0.098 12.917 1.496) 13.004 2.125 ( 3.311 10.601 -1.439) 11.199 2.320 ( 5.409 9.272 -3.900) 11.421 2.432 ( 0.360 5.862 3.347) 6.760 2.464 ( -1.236 5.157 3.530) 6.371 2.602 ( 2.179 7.478 -0.898) 7.840 2.684 ( 0.503 -1.161 0.595) 1.398 2.710 ( 3.105 0.695 -0.800) 3.281 2.861 ( 3.542 1.935 -2.823) 4.925 2.906 ( -1.279 -0.415 2.697) 3.013 3.150 ( 0.891 -8.606 -0.390) 8.661 3.224 ( -0.535 -1.984 1.186) 2.373 3.338 ( -0.171 -9.980 0.631) 10.002 3.477 ( -1.467 -7.823 -1.243) 8.055 3.716 ( 0.290 0.299 0.731) 0.841 3.779 ( 0.704 -12.827 -0.042) 12.846 3.861 ( 0.031 -7.241 0.824) 7.287 4.026 ( 0.568 5.552 -2.056) 5.948 4.067 ( -0.574 3.335 1.010) 3.532 4.199 ( 0.958 0.930 -1.452) 1.973 4.273 ( -0.956 0.664 0.189) 1.179 4.378 ( 1.009 1.775 1.622) 2.607 4.417 ( -1.230 6.963 -1.572) 7.243 4.461 ( 0.934 1.542 0.457) 1.859 4.486 ( -1.486 1.016 0.552) 1.883 4.514 ( -0.020 3.352 -0.222) 3.359 4.592 ( -0.371 5.527 -0.519) 5.564 4.704 ( 0.121 0.300 2.391) 2.413 4.729 ( 0.393 -0.176 -3.037) 3.067 4.784 ( -0.195 -5.971 0.021) 5.974 4.830 ( 0.454 -4.810 -0.135) 4.833 4.923 ( -2.021 -4.212 1.619) 4.944 4.947 ( 1.786 0.753 -0.945) 2.157 4.971 ( -1.542 0.930 0.923) 2.023 5.090 ( -1.495 -1.060 1.540) 2.394 5.102 ( -0.656 -2.525 -2.616) 3.694 5.166 ( 1.241 -2.143 1.061) 2.694 5.263 ( -0.662 -1.161 0.963) 1.647 5.290 ( -1.820 -3.090 -1.537) 3.902 5.365 ( -0.113 -1.456 0.087) 1.463 5.441 ( -0.717 4.277 -0.270) 4.345 5.475 ( -0.139 4.958 0.578) 4.993 5.552 ( -0.649 5.300 -0.756) 5.393 5.617 ( 0.030 6.522 2.071) 6.843 5.708 ( -0.810 8.753 1.670) 8.947 5.728 ( 0.233 0.037 -2.615) 2.626 5.779 ( -0.442 3.661 -2.685) 4.562 5.861 ( -1.006 -0.739 1.323) 1.819 6.180 ( 1.435 4.817 -0.563) 5.058 6.209 ( -0.551 3.893 0.076) 3.933 6.283 ( -0.358 0.311 3.146) 3.181 6.344 ( 1.325 -4.944 -2.106) 5.535 6.425 ( 0.525 1.055 1.297) 1.752 6.566 ( -4.298 -3.885 -3.127) 6.583 6.670 ( 0.443 -1.046 5.367) 5.486 6.724 ( -0.988 -4.918 0.895) 5.095 6.756 ( 1.188 3.187 -5.519) 6.483 7.052 ( 0.645 -3.198 1.048) 3.427 12.170 ( -0.435 -1.947 -0.102) 1.997 12.195 ( -0.398 -2.530 0.125) 2.564 12.574 ( 0.407 0.996 -0.050) 1.078 12.617 ( 0.384 0.155 0.019) 0.414 12.842 ( -0.069 3.502 -0.260) 3.512 12.977 ( -0.042 3.170 0.607) 3.228 13.022 ( 0.049 -1.864 -0.793) 2.026 13.090 ( 0.613 -0.590 0.590) 1.036 13.388 ( 0.760 0.365 -0.405) 0.935 13.426 ( -0.696 0.607 1.357) 1.642 13.441 ( -0.440 0.436 -1.219) 1.367 13.501 ( -0.375 -3.664 0.268) 3.693 13.800 ( -0.082 6.802 0.047) 6.803 13.912 ( -0.176 0.688 -0.254) 0.754 14.046 ( -0.294 -0.058 0.074) 0.308 14.152 ( -0.166 -1.235 0.033) 1.247 16.921 ( -0.317 0.757 0.387) 0.907 16.935 ( -0.747 1.067 -0.255) 1.327 17.103 ( -0.192 1.250 -0.040) 1.266 17.131 ( -0.110 1.318 -0.451) 1.397 17.223 ( 0.460 1.754 0.605) 1.912 17.260 ( -0.878 -0.521 -0.362) 1.083 17.282 ( 0.336 -1.094 -0.401) 1.213 17.360 ( -0.148 -1.339 0.244) 1.369 17.440 ( 0.010 0.654 -0.085) 0.660 17.445 ( -0.003 0.989 0.318) 1.039 17.618 ( 0.141 0.101 -0.291) 0.339 17.668 ( 0.176 2.551 -0.292) 2.574 17.692 ( 0.178 -0.875 0.229) 0.922 17.769 ( -0.840 -0.753 1.031) 1.528 17.855 ( 0.238 1.266 -0.894) 1.568 17.912 ( 0.331 -0.084 0.181) 0.387 18.362 ( 0.316 -0.133 0.216) 0.406 18.376 ( 0.271 0.402 0.098) 0.494 18.463 ( 0.108 -2.393 -0.348) 2.421 18.497 ( 0.274 -2.564 -0.218) 2.588 18.642 ( 0.364 -0.636 0.125) 0.744 18.664 ( -0.974 -1.556 0.248) 1.852 18.813 ( 0.627 -2.034 -0.309) 2.150 18.840 ( 0.429 -3.493 0.192) 3.524 27.779 ( -0.125 0.518 -0.047) 0.535 27.786 ( -0.071 0.463 0.048) 0.471 27.847 ( 0.229 -1.248 -0.060) 1.270 27.859 ( 0.325 -1.433 0.062) 1.470 28.296 ( 0.408 0.074 -0.014) 0.415 28.310 ( -0.701 -0.180 0.018) 0.724 28.354 ( 0.484 -0.044 -0.006) 0.486 28.366 ( -0.274 -0.290 0.011) 0.399 30.456 ( 0.631 0.129 -0.262) 0.695 30.525 ( 1.252 -1.439 0.188) 1.917 30.630 ( -0.399 -4.233 0.108) 4.253 30.674 ( -0.094 -4.610 -0.017) 4.611 31.057 ( -1.025 0.256 -0.106) 1.062 31.094 ( -0.639 -0.547 0.261) 0.881 31.576 ( 0.573 1.377 0.123) 1.496 31.620 ( -0.037 2.878 0.182) 2.884 31.718 ( 2.185 -0.320 -1.567) 2.708 31.755 ( -1.480 -0.520 0.981) 1.851 31.901 ( -0.110 -1.005 0.508) 1.132 31.951 ( -0.429 -4.725 -1.597) 5.006 32.167 ( 1.037 4.026 3.261) 5.284 32.296 ( 0.166 1.428 -2.932) 3.265 32.364 ( 1.417 0.760 -0.073) 1.609 32.517 ( -1.011 -4.074 1.323) 4.401 32.916 ( 2.743 -2.778 1.494) 4.180 32.956 ( 4.537 -1.478 -0.163) 4.775 33.052 ( 2.769 3.736 -0.260) 4.658 33.296 ( 1.703 -4.574 0.004) 4.880 33.619 ( -10.396 18.478 -5.486) 21.900 33.888 ( -1.642 8.017 4.279) 9.234 34.016 ( -1.923 6.266 -0.159) 6.556 34.106 ( -7.350 5.717 -0.001) 9.312 ======================= Grid point 28 (17/55) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 9.153 0.000) 9.153 1.414 ( 0.000 1.999 0.000) 1.999 1.444 ( 0.000 3.332 0.000) 3.332 1.507 ( 0.000 -0.236 0.000) 0.236 1.514 ( 0.000 3.996 0.000) 3.996 1.557 ( 0.000 -1.442 0.000) 1.442 1.571 ( 0.000 -0.225 0.000) 0.225 1.581 ( 0.000 0.378 0.000) 0.378 1.743 ( 0.000 1.310 0.000) 1.310 1.750 ( 0.000 0.544 0.000) 0.544 1.777 ( 0.000 2.863 0.000) 2.863 1.789 ( 0.000 7.371 0.000) 7.371 1.861 ( 0.000 -1.481 0.000) 1.481 1.969 ( 0.000 -6.876 0.000) 6.876 2.065 ( 0.000 8.647 0.000) 8.647 2.181 ( 0.000 2.832 0.000) 2.832 2.193 ( 0.000 0.346 0.000) 0.346 2.259 ( 0.000 -6.406 0.000) 6.406 2.414 ( 0.000 6.187 0.000) 6.187 2.443 ( 0.000 11.962 0.000) 11.962 2.605 ( 0.000 0.089 0.000) 0.089 2.685 ( 0.000 2.686 0.000) 2.686 2.744 ( 0.000 5.256 0.000) 5.256 2.822 ( 0.000 -4.344 0.000) 4.344 3.019 ( 0.000 -5.018 0.000) 5.018 3.019 ( 0.000 -7.235 0.000) 7.235 3.327 ( 0.000 0.691 0.000) 0.691 3.414 ( 0.000 -7.130 0.000) 7.130 3.562 ( 0.000 -3.333 0.000) 3.333 3.666 ( 0.000 -10.962 0.000) 10.962 3.810 ( 0.000 8.714 0.000) 8.714 4.048 ( 0.000 -12.567 0.000) 12.567 4.068 ( 0.000 2.406 0.000) 2.406 4.118 ( 0.000 -2.857 0.000) 2.857 4.302 ( 0.000 8.955 0.000) 8.955 4.428 ( 0.000 -1.782 0.000) 1.782 4.488 ( 0.000 3.504 0.000) 3.504 4.511 ( 0.000 1.358 0.000) 1.358 4.620 ( 0.000 0.143 0.000) 0.143 4.632 ( 0.000 1.857 0.000) 1.857 4.669 ( 0.000 1.215 0.000) 1.215 4.672 ( 0.000 -0.278 0.000) 0.278 4.715 ( 0.000 0.646 0.000) 0.646 4.755 ( 0.000 -3.043 0.000) 3.043 4.866 ( 0.000 4.440 0.000) 4.440 4.956 ( 0.000 -2.276 0.000) 2.276 4.982 ( 0.000 1.799 0.000) 1.799 4.999 ( 0.000 2.147 0.000) 2.147 5.108 ( 0.000 -1.270 0.000) 1.270 5.117 ( 0.000 -2.612 0.000) 2.612 5.243 ( 0.000 3.153 0.000) 3.153 5.300 ( 0.000 -2.149 0.000) 2.149 5.308 ( 0.000 1.194 0.000) 1.194 5.318 ( 0.000 0.476 0.000) 0.476 5.524 ( 0.000 -0.072 0.000) 0.072 5.539 ( 0.000 -1.495 0.000) 1.495 5.648 ( 0.000 1.015 0.000) 1.015 5.661 ( 0.000 -0.100 0.000) 0.100 5.880 ( 0.000 5.633 0.000) 5.633 5.887 ( 0.000 4.231 0.000) 4.231 5.985 ( 0.000 5.196 0.000) 5.196 6.034 ( 0.000 2.309 0.000) 2.309 6.202 ( 0.000 1.785 0.000) 1.785 6.226 ( 0.000 -0.664 0.000) 0.664 6.244 ( 0.000 0.947 0.000) 0.947 6.278 ( 0.000 0.122 0.000) 0.122 6.370 ( 0.000 3.803 0.000) 3.803 6.496 ( 0.000 -4.409 0.000) 4.409 6.557 ( 0.000 -4.348 0.000) 4.348 6.610 ( 0.000 -8.666 0.000) 8.666 6.809 ( 0.000 4.018 0.000) 4.018 6.936 ( 0.000 -8.763 0.000) 8.763 12.190 ( 0.000 -0.691 0.000) 0.691 12.193 ( 0.000 -0.991 0.000) 0.991 12.561 ( 0.000 1.154 0.000) 1.154 12.580 ( 0.000 -0.617 0.000) 0.617 12.895 ( 0.000 2.662 0.000) 2.662 12.947 ( 0.000 -2.410 0.000) 2.410 13.013 ( 0.000 1.691 0.000) 1.691 13.044 ( 0.000 -1.350 0.000) 1.350 13.406 ( 0.000 1.472 0.000) 1.472 13.438 ( 0.000 -1.664 0.000) 1.664 13.469 ( 0.000 1.483 0.000) 1.483 13.499 ( 0.000 -1.645 0.000) 1.645 13.912 ( 0.000 4.020 0.000) 4.020 13.956 ( 0.000 -0.200 0.000) 0.200 14.082 ( 0.000 0.910 0.000) 0.910 14.115 ( 0.000 -2.305 0.000) 2.305 16.991 ( 0.000 2.238 0.000) 2.238 17.021 ( 0.000 -0.505 0.000) 0.505 17.124 ( 0.000 1.663 0.000) 1.663 17.153 ( 0.000 -1.132 0.000) 1.132 17.229 ( 0.000 -0.331 0.000) 0.331 17.231 ( 0.000 -0.491 0.000) 0.491 17.348 ( 0.000 0.694 0.000) 0.694 17.363 ( 0.000 -0.766 0.000) 0.766 17.427 ( 0.000 0.679 0.000) 0.679 17.434 ( 0.000 0.021 0.000) 0.021 17.630 ( 0.000 -0.154 0.000) 0.154 17.631 ( 0.000 -0.370 0.000) 0.370 17.723 ( 0.000 1.582 0.000) 1.582 17.767 ( 0.000 -2.791 0.000) 2.791 17.848 ( 0.000 1.341 0.000) 1.341 17.867 ( 0.000 -0.543 0.000) 0.543 18.375 ( 0.000 1.501 0.000) 1.501 18.378 ( 0.000 2.141 0.000) 2.141 18.401 ( 0.000 -1.165 0.000) 1.165 18.431 ( 0.000 -2.928 0.000) 2.928 18.687 ( 0.000 -0.051 0.000) 0.051 18.700 ( 0.000 -1.386 0.000) 1.386 18.708 ( 0.000 0.239 0.000) 0.239 18.726 ( 0.000 -1.620 0.000) 1.620 27.804 ( 0.000 -0.108 0.000) 0.108 27.805 ( 0.000 -0.093 0.000) 0.093 27.806 ( 0.000 -0.145 0.000) 0.145 27.806 ( 0.000 -0.145 0.000) 0.145 28.317 ( 0.000 0.849 0.000) 0.849 28.321 ( 0.000 0.857 0.000) 0.857 28.341 ( 0.000 -1.013 0.000) 1.013 28.345 ( 0.000 -0.940 0.000) 0.940 30.456 ( 0.000 3.408 0.000) 3.408 30.485 ( 0.000 4.160 0.000) 4.160 30.537 ( 0.000 -4.492 0.000) 4.492 30.585 ( 0.000 -5.559 0.000) 5.559 31.149 ( 0.000 0.393 0.000) 0.393 31.160 ( 0.000 -0.689 0.000) 0.689 31.540 ( 0.000 1.343 0.000) 1.343 31.569 ( 0.000 -1.017 0.000) 1.017 31.762 ( 0.000 1.916 0.000) 1.916 31.781 ( 0.000 0.980 0.000) 0.980 31.868 ( 0.000 -0.586 0.000) 0.586 31.910 ( 0.000 -3.249 0.000) 3.249 32.160 ( 0.000 3.146 0.000) 3.146 32.214 ( 0.000 -1.643 0.000) 1.643 32.346 ( 0.000 0.973 0.000) 0.973 32.384 ( 0.000 -1.889 0.000) 1.889 32.765 ( 0.000 0.609 0.000) 0.609 32.795 ( 0.000 -1.983 0.000) 1.983 33.093 ( 0.000 2.897 0.000) 2.897 33.121 ( 0.000 0.444 0.000) 0.444 34.230 ( 0.000 4.429 0.000) 4.429 34.291 ( 0.000 -2.021 0.000) 2.021 34.301 ( 0.000 6.806 0.000) 6.806 34.448 ( 0.000 -6.662 0.000) 6.662 ======================= Grid point 29 (18/55) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.601 6.569 -1.317) 6.727 1.388 ( -5.907 4.044 2.049) 7.446 1.398 ( -2.681 0.478 0.589) 2.787 1.449 ( -3.642 0.068 -0.579) 3.688 1.521 ( -3.734 0.872 -0.418) 3.857 1.534 ( -1.089 2.358 0.038) 2.598 1.564 ( 0.033 -0.388 0.826) 0.914 1.580 ( -1.057 -0.019 0.052) 1.058 1.683 ( -3.340 2.835 -1.681) 4.692 1.721 ( -2.671 0.387 -1.351) 3.018 1.767 ( 0.222 1.859 0.116) 1.876 1.794 ( -1.630 -1.480 -2.033) 2.997 1.868 ( 2.683 6.554 0.753) 7.122 2.009 ( 1.259 -5.468 4.814) 7.393 2.094 ( 2.351 9.392 2.294) 9.950 2.234 ( 8.343 5.808 -3.418) 10.725 2.287 ( 4.314 -3.741 -1.662) 5.947 2.299 ( 5.970 1.564 -0.248) 6.177 2.404 ( 2.896 6.715 -2.400) 7.697 2.479 ( 0.799 4.100 3.936) 5.739 2.612 ( 2.082 1.943 -2.341) 3.686 2.704 ( 0.835 3.187 2.290) 4.013 2.765 ( 2.223 3.504 0.460) 4.175 2.829 ( 0.788 -4.166 -0.331) 4.252 3.020 ( 0.496 -4.303 -0.732) 4.393 3.035 ( 1.087 -7.505 1.208) 7.679 3.311 ( -1.685 1.230 0.358) 2.116 3.410 ( -0.653 -7.530 -0.505) 7.575 3.550 ( -0.667 -3.328 -0.503) 3.431 3.657 ( -1.013 -10.943 0.267) 10.993 3.814 ( -0.144 8.744 0.904) 8.792 4.043 ( -0.227 -6.771 0.641) 6.805 4.082 ( 1.617 -4.450 -1.832) 5.076 4.117 ( -0.015 -2.429 -0.420) 2.466 4.299 ( -0.422 8.514 0.445) 8.536 4.417 ( -1.034 -1.536 -0.153) 1.858 4.491 ( -0.505 2.900 1.677) 3.387 4.503 ( -1.149 1.513 0.522) 1.970 4.598 ( 0.017 1.219 -2.396) 2.688 4.623 ( -0.098 0.704 -3.545) 3.615 4.662 ( -0.044 0.934 -1.787) 2.017 4.681 ( 0.000 -1.892 0.886) 2.089 4.720 ( -1.094 0.714 2.934) 3.212 4.747 ( -1.622 -1.930 2.442) 3.510 4.850 ( -1.660 4.692 -0.009) 4.977 4.950 ( -1.036 -4.177 -0.355) 4.318 4.973 ( -0.760 3.475 0.483) 3.589 5.006 ( 0.402 1.685 0.316) 1.761 5.096 ( -0.369 -0.975 -1.409) 1.753 5.102 ( -1.277 -2.426 0.068) 2.743 5.233 ( -1.724 3.218 1.664) 4.013 5.288 ( -2.048 -2.255 2.259) 3.792 5.317 ( 0.687 0.918 -2.282) 2.554 5.326 ( 1.652 0.690 -0.101) 1.793 5.531 ( 0.766 0.817 0.029) 1.121 5.545 ( 0.968 0.156 -0.971) 1.380 5.635 ( -1.401 0.421 -0.122) 1.468 5.650 ( -0.209 -0.151 -1.355) 1.379 5.853 ( -4.257 4.444 4.775) 7.789 5.873 ( -0.760 2.180 -2.567) 3.453 5.962 ( -2.122 7.501 0.702) 7.826 6.024 ( 0.509 4.477 -3.807) 5.899 6.214 ( 0.468 0.783 1.593) 1.836 6.232 ( -0.215 -0.629 1.102) 1.287 6.247 ( 0.507 0.635 -0.261) 0.853 6.278 ( 0.732 0.938 -1.476) 1.896 6.374 ( 0.278 1.174 -0.117) 1.212 6.495 ( -0.290 -5.874 0.646) 5.916 6.574 ( 0.811 -2.883 1.911) 3.552 6.632 ( 1.295 -8.072 0.471) 8.189 6.812 ( 0.723 4.007 -0.785) 4.147 6.925 ( -0.185 -7.111 -1.107) 7.199 12.180 ( -0.930 -0.580 -0.060) 1.097 12.185 ( -0.834 -1.079 0.080) 1.366 12.568 ( 0.748 1.157 -0.070) 1.379 12.587 ( 0.772 -0.640 -0.116) 1.009 12.901 ( 0.455 2.827 0.305) 2.880 12.956 ( 0.560 -2.547 0.835) 2.738 13.013 ( 0.348 1.695 -0.613) 1.835 13.044 ( 0.241 -1.326 -0.387) 1.402 13.405 ( -0.163 1.468 0.159) 1.485 13.435 ( -0.008 -1.221 -0.494) 1.317 13.466 ( -0.716 0.784 0.869) 1.372 13.490 ( -0.855 -1.420 -0.326) 1.690 13.911 ( -0.222 3.862 0.128) 3.871 13.950 ( -0.429 -0.113 -0.354) 0.567 14.078 ( -0.344 1.136 -0.140) 1.195 14.115 ( -0.097 -2.349 0.218) 2.361 16.978 ( -1.333 1.937 0.242) 2.364 17.003 ( -1.595 -0.425 -0.147) 1.658 17.135 ( 0.843 1.674 -0.035) 1.875 17.158 ( 0.391 -0.553 -0.633) 0.927 17.221 ( -0.689 -0.021 0.308) 0.755 17.231 ( 0.189 -1.069 -0.033) 1.086 17.338 ( -1.008 0.738 -0.065) 1.252 17.352 ( -1.212 -0.713 0.479) 1.485 17.434 ( 0.741 0.627 0.009) 0.971 17.442 ( 0.736 -0.045 -0.241) 0.775 17.626 ( 0.019 0.457 -0.171) 0.489 17.642 ( 0.642 -1.017 0.146) 1.212 17.722 ( 0.027 1.731 -0.400) 1.777 17.763 ( -0.651 -2.263 0.504) 2.408 17.854 ( 0.766 1.191 -0.282) 1.443 17.875 ( 0.697 -0.747 0.132) 1.030 18.374 ( -0.055 1.499 -0.011) 1.500 18.381 ( 0.261 2.014 0.077) 2.032 18.406 ( 0.361 -1.427 0.136) 1.478 18.433 ( 0.303 -2.875 -0.197) 2.898 18.666 ( -1.473 0.236 0.035) 1.492 18.677 ( -1.238 -0.871 0.046) 1.514 18.737 ( 1.584 -0.700 0.067) 1.733 18.746 ( 1.689 -1.449 -0.075) 2.227 27.800 ( -0.142 0.475 -0.021) 0.496 27.801 ( -0.160 0.395 0.021) 0.426 27.812 ( 0.400 -0.633 -0.034) 0.749 27.813 ( 0.489 -0.749 0.035) 0.895 28.308 ( -0.514 0.845 0.013) 0.989 28.325 ( -0.335 -0.402 -0.005) 0.524 28.338 ( 0.351 0.218 0.004) 0.413 28.353 ( 0.467 -0.871 0.002) 0.988 30.464 ( 0.687 3.143 0.207) 3.224 30.490 ( 0.669 3.765 -0.183) 3.828 30.542 ( 0.235 -4.374 0.472) 4.406 30.583 ( 0.013 -5.255 -0.424) 5.272 31.133 ( -1.818 0.238 0.249) 1.850 31.140 ( -1.923 -0.477 -0.063) 1.983 31.556 ( 1.541 1.575 0.104) 2.206 31.589 ( 1.940 -1.273 -0.106) 2.323 31.734 ( -1.375 2.578 -0.792) 3.028 31.776 ( -0.778 -0.990 -0.535) 1.368 31.880 ( 0.629 0.178 0.315) 0.726 31.921 ( 0.597 -2.987 -0.197) 3.053 32.151 ( -0.379 3.736 1.012) 3.889 32.226 ( 1.326 -3.356 -0.289) 3.620 32.360 ( 1.499 2.675 0.056) 3.067 32.419 ( 1.964 -2.462 2.193) 3.838 32.774 ( 1.700 0.317 -0.914) 1.956 32.798 ( 1.064 -1.714 -1.170) 2.332 33.091 ( 0.288 3.777 -0.332) 3.802 33.145 ( 2.026 -1.291 0.165) 2.408 34.182 ( -5.189 6.704 1.746) 8.655 34.251 ( -4.319 5.588 -1.810) 7.291 34.285 ( -3.625 -3.147 3.915) 6.194 34.358 ( -7.264 -4.055 -3.604) 9.066 ======================= Grid point 30 (19/55) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -7.033 3.753 2.498) 8.354 1.310 ( -2.258 2.701 -0.979) 3.653 1.337 ( -4.417 -0.769 0.503) 4.512 1.367 ( -5.166 -1.721 -1.997) 5.800 1.424 ( -4.002 3.631 1.247) 5.546 1.504 ( -2.991 -2.734 -1.323) 4.263 1.549 ( -0.775 2.495 0.421) 2.647 1.570 ( -1.287 0.540 1.778) 2.261 1.635 ( -1.218 0.218 -2.118) 2.453 1.652 ( -1.008 -0.678 -3.449) 3.657 1.759 ( -1.201 2.346 0.679) 2.722 1.768 ( -0.379 1.545 -0.956) 1.856 1.937 ( 3.502 8.451 1.504) 9.271 2.057 ( -0.090 -1.093 3.450) 3.620 2.177 ( 3.872 11.398 2.672) 12.331 2.313 ( 4.255 9.465 -6.485) 12.236 2.374 ( 7.078 0.164 -0.372) 7.090 2.406 ( 6.071 0.986 -3.076) 6.877 2.490 ( 3.148 1.692 4.766) 5.957 2.529 ( 2.323 -3.838 1.742) 4.812 2.650 ( 3.814 5.500 -1.827) 6.938 2.749 ( 2.699 4.807 1.477) 5.708 2.831 ( 4.112 0.387 1.009) 4.251 2.843 ( 1.151 -3.394 -0.727) 3.657 3.025 ( 0.569 -3.161 -0.797) 3.309 3.068 ( 1.134 -8.151 1.424) 8.351 3.278 ( -2.287 1.495 0.892) 2.874 3.374 ( -2.165 -7.167 -1.484) 7.632 3.543 ( 0.411 -4.186 -0.755) 4.274 3.643 ( -0.574 -11.021 0.500) 11.047 3.816 ( -0.404 8.895 0.836) 8.943 4.055 ( 0.301 -5.402 1.840) 5.714 4.090 ( 0.590 -8.105 -1.089) 8.199 4.110 ( 0.357 -0.936 -1.839) 2.094 4.298 ( -0.154 7.630 0.547) 7.651 4.397 ( -0.602 -0.686 -0.597) 1.091 4.479 ( -1.601 1.291 0.815) 2.212 4.491 ( -1.464 0.153 2.124) 2.585 4.586 ( -0.004 1.956 -2.229) 2.965 4.591 ( -0.271 1.904 -2.968) 3.537 4.640 ( -0.270 -0.157 -1.501) 1.534 4.675 ( -0.433 -3.761 -0.584) 3.831 4.715 ( -1.775 0.314 2.324) 2.941 4.736 ( -2.123 -1.234 2.698) 3.648 4.815 ( -1.856 4.276 -0.003) 4.662 4.905 ( -2.810 -4.045 -1.253) 5.082 4.971 ( -0.319 3.420 1.098) 3.606 5.015 ( 0.231 1.431 0.495) 1.532 5.076 ( -1.063 -1.487 0.020) 1.828 5.090 ( 0.187 -1.162 -0.730) 1.385 5.211 ( -1.954 3.332 1.676) 4.211 5.265 ( -2.208 -2.302 1.608) 3.572 5.304 ( -0.136 2.302 -1.939) 3.013 5.347 ( 0.570 -1.197 -0.992) 1.655 5.546 ( 1.190 3.614 -0.885) 3.907 5.559 ( 0.522 3.419 1.279) 3.688 5.619 ( 0.361 -0.289 -0.733) 0.867 5.636 ( 0.050 -1.424 -1.310) 1.935 5.812 ( -3.458 3.301 3.266) 5.789 5.833 ( -1.874 0.645 -0.752) 2.120 5.929 ( -1.402 8.785 -0.665) 8.921 6.000 ( -0.021 7.141 -2.845) 7.687 6.226 ( -0.242 -1.976 -0.430) 2.037 6.236 ( -0.201 -1.674 1.040) 1.981 6.258 ( 0.733 2.009 1.177) 2.441 6.287 ( 1.067 2.988 -0.742) 3.258 6.377 ( -0.147 -2.027 1.237) 2.379 6.490 ( -1.089 -8.784 0.333) 8.858 6.605 ( 0.461 -1.594 2.332) 2.862 6.635 ( -0.174 -5.009 -2.201) 5.474 6.826 ( 1.610 4.431 -1.094) 4.839 6.931 ( 1.229 -5.554 0.361) 5.700 12.161 ( -1.007 -0.441 -0.074) 1.102 12.168 ( -0.970 -1.180 0.098) 1.531 12.583 ( 0.890 1.101 -0.068) 1.418 12.602 ( 0.826 -0.639 -0.097) 1.049 12.910 ( 0.300 3.135 -0.163) 3.154 12.971 ( 0.325 -2.831 0.273) 2.863 13.019 ( 0.702 1.840 -0.204) 1.980 13.051 ( 0.721 -1.275 0.333) 1.502 13.403 ( 0.016 1.424 -0.236) 1.443 13.432 ( 0.030 -0.835 -0.108) 0.842 13.457 ( -1.085 -0.222 0.942) 1.454 13.467 ( -1.180 -0.859 -0.398) 1.513 13.906 ( -0.348 3.346 -0.001) 3.364 13.936 ( -0.681 0.017 -0.531) 0.864 14.071 ( -0.292 1.702 -0.087) 1.729 14.116 ( -0.045 -2.353 0.347) 2.379 16.956 ( -1.235 1.388 0.327) 1.887 16.972 ( -1.544 -0.073 -0.131) 1.551 17.139 ( -0.327 1.332 -0.263) 1.396 17.153 ( -0.269 0.008 -0.538) 0.601 17.221 ( 0.489 0.409 0.255) 0.687 17.240 ( 0.698 -1.348 -0.188) 1.529 17.313 ( -1.436 1.105 -0.211) 1.824 17.336 ( -1.072 -1.130 1.025) 1.865 17.448 ( 0.634 0.421 -0.054) 0.763 17.451 ( 0.536 0.164 -0.433) 0.708 17.628 ( 0.260 0.953 -0.098) 0.993 17.654 ( 0.513 -1.523 0.273) 1.630 17.718 ( -0.029 2.001 -0.477) 2.057 17.755 ( -0.611 -1.621 0.410) 1.780 17.868 ( 0.901 1.051 -0.204) 1.399 17.890 ( 0.701 -0.907 0.157) 1.157 18.373 ( -0.001 1.476 -0.029) 1.476 18.389 ( 0.382 1.730 0.312) 1.799 18.412 ( 0.264 -1.972 -0.196) 1.999 18.439 ( 0.392 -2.729 -0.143) 2.760 18.647 ( -0.681 0.475 0.077) 0.834 18.658 ( -0.868 -0.763 0.032) 1.156 18.763 ( 1.228 -0.769 -0.020) 1.449 18.773 ( 1.148 -1.657 0.019) 2.016 27.798 ( -0.073 0.874 -0.080) 0.880 27.801 ( 0.028 0.858 0.081) 0.863 27.818 ( 0.308 -1.074 -0.087) 1.121 27.822 ( 0.457 -1.215 0.087) 1.301 28.301 ( -0.261 0.594 0.005) 0.649 28.314 ( -0.628 -0.655 0.004) 0.907 28.348 ( 0.595 0.491 0.007) 0.771 28.359 ( 0.251 -0.564 0.004) 0.617 30.476 ( 0.557 2.771 -0.280) 2.840 30.508 ( 1.236 2.576 0.174) 2.863 30.548 ( -0.044 -4.126 0.276) 4.135 30.582 ( 0.226 -4.462 -0.107) 4.469 31.095 ( -2.123 0.344 -0.004) 2.151 31.104 ( -1.835 -0.490 0.206) 1.910 31.587 ( 1.455 1.797 0.249) 2.326 31.622 ( 1.391 -1.297 0.066) 1.903 31.718 ( 0.518 2.143 -1.167) 2.494 31.757 ( -0.562 -1.408 -0.521) 1.603 31.880 ( -0.619 0.156 -0.009) 0.639 31.914 ( -0.751 -2.637 -1.127) 2.965 32.181 ( 1.636 3.880 3.318) 5.360 32.264 ( 2.530 -4.057 1.334) 4.963 32.377 ( 0.673 3.651 -2.188) 4.309 32.454 ( -0.134 -3.488 0.731) 3.567 32.821 ( 4.216 -0.632 -1.944) 4.685 32.832 ( 3.300 -0.896 1.784) 3.857 33.103 ( 1.264 4.310 -0.346) 4.505 33.183 ( 1.750 -3.515 0.067) 3.927 34.078 ( -7.336 5.084 -0.472) 8.938 34.104 ( -10.100 3.937 -3.909) 11.524 34.178 ( -4.883 3.802 0.643) 6.223 34.255 ( -5.164 -2.167 3.255) 6.478 ======================= Grid point 31 (20/55) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -2.620 3.830 1.484) 4.871 1.240 ( -3.313 3.091 -1.821) 4.883 1.266 ( -2.350 -2.591 0.927) 3.619 1.293 ( -1.665 -1.421 -0.727) 2.307 1.399 ( -0.913 0.073 1.644) 1.882 1.442 ( -1.741 -4.028 -1.106) 4.526 1.546 ( -0.122 2.915 0.230) 2.926 1.559 ( -0.711 1.815 0.689) 2.067 1.598 ( -0.243 1.566 -2.330) 2.818 1.637 ( 0.144 -2.198 -0.706) 2.313 1.749 ( -0.546 2.550 0.897) 2.758 1.754 ( -0.303 1.983 -0.781) 2.153 2.002 ( 2.130 8.949 0.863) 9.239 2.059 ( -1.139 4.192 0.978) 4.453 2.244 ( 1.456 12.567 1.039) 12.693 2.357 ( 4.487 10.256 -4.100) 11.922 2.431 ( -1.006 -4.093 2.819) 5.070 2.482 ( 4.834 3.294 -4.357) 7.294 2.542 ( -1.305 -0.054 4.636) 4.817 2.581 ( 1.778 -7.541 0.354) 7.756 2.699 ( 1.895 7.022 -0.488) 7.290 2.819 ( 3.205 4.523 -0.139) 5.545 2.859 ( 1.471 -0.781 -1.015) 1.950 2.896 ( 1.055 1.031 1.229) 1.920 3.027 ( 0.250 -3.183 -0.424) 3.221 3.092 ( 0.479 -8.826 0.608) 8.860 3.249 ( -1.268 0.608 0.538) 1.506 3.329 ( -1.212 -6.762 -0.903) 6.929 3.547 ( 0.387 -4.704 -0.453) 4.741 3.644 ( 0.062 -11.328 0.395) 11.335 3.813 ( -0.284 8.975 0.303) 8.985 4.074 ( -0.042 -7.299 2.180) 7.618 4.087 ( 0.034 -5.919 -1.028) 6.008 4.105 ( 0.477 -0.886 -1.372) 1.702 4.301 ( 0.082 6.913 0.134) 6.914 4.390 ( 0.129 -0.279 -0.312) 0.438 4.462 ( -0.727 0.263 0.463) 0.901 4.478 ( -1.037 -1.511 1.025) 2.100 4.556 ( -0.756 3.043 -0.956) 3.278 4.575 ( -0.181 1.067 -1.013) 1.482 4.638 ( 0.836 0.022 -0.836) 1.182 4.663 ( -0.624 -3.282 -0.198) 3.347 4.701 ( -0.278 -0.781 -0.155) 0.844 4.713 ( -2.009 -1.549 1.615) 3.007 4.794 ( -0.477 2.524 0.272) 2.583 4.851 ( -1.721 -2.601 -0.461) 3.152 4.975 ( -0.014 2.741 0.568) 2.799 5.020 ( -0.040 0.760 0.262) 0.804 5.065 ( -0.259 -0.023 0.011) 0.260 5.091 ( 0.261 -0.620 -0.365) 0.765 5.195 ( -0.850 2.945 0.734) 3.152 5.240 ( -0.988 -1.919 0.143) 2.163 5.289 ( -0.232 2.587 -0.489) 2.643 5.337 ( -0.385 -1.682 -0.593) 1.824 5.563 ( 0.721 5.636 -0.202) 5.686 5.571 ( 0.077 4.317 0.491) 4.345 5.622 ( 0.248 0.653 -0.450) 0.831 5.642 ( 0.812 -2.431 -0.141) 2.567 5.787 ( -1.446 2.298 1.856) 3.289 5.801 ( -0.708 0.618 -1.153) 1.487 5.906 ( -0.656 8.707 -0.232) 8.735 5.983 ( -0.109 8.398 -1.034) 8.462 6.211 ( -0.361 -3.522 -0.704) 3.610 6.240 ( 0.039 -2.678 0.344) 2.701 6.282 ( 0.594 2.751 0.576) 2.873 6.298 ( 0.378 4.253 0.076) 4.270 6.399 ( 1.192 -3.986 2.348) 4.777 6.453 ( -2.543 -7.486 -1.027) 7.973 6.614 ( 0.125 -3.071 -1.811) 3.568 6.622 ( -0.020 -2.541 0.938) 2.709 6.844 ( 0.850 5.210 -0.379) 5.292 6.958 ( 0.803 -5.627 0.483) 5.705 12.147 ( -0.413 -0.360 -0.034) 0.549 12.156 ( -0.404 -1.243 0.044) 1.307 12.595 ( 0.384 1.027 -0.024) 1.097 12.612 ( 0.338 -0.617 -0.019) 0.704 12.910 ( 0.045 3.245 -0.244) 3.255 12.972 ( 0.001 -2.854 -0.237) 2.864 13.031 ( 0.383 2.227 0.188) 2.268 13.069 ( 0.513 -1.496 0.437) 1.641 13.403 ( 0.195 1.193 -0.337) 1.255 13.433 ( -0.069 -0.902 0.199) 0.926 13.445 ( -0.509 -0.571 0.189) 0.788 13.447 ( -0.639 -0.303 0.000) 0.708 13.900 ( -0.170 2.786 -0.065) 2.792 13.922 ( -0.355 0.082 -0.258) 0.446 14.067 ( -0.088 2.197 -0.006) 2.198 14.118 ( -0.000 -2.285 0.173) 2.292 16.942 ( -0.476 1.001 0.148) 1.118 16.950 ( -0.609 0.256 -0.052) 0.663 17.129 ( -0.324 1.231 -0.167) 1.284 17.145 ( -0.210 -0.107 -0.148) 0.278 17.236 ( 0.763 0.047 -0.049) 0.766 17.247 ( 0.140 -1.026 0.043) 1.037 17.290 ( -0.801 1.986 -0.119) 2.144 17.329 ( -0.378 -1.739 0.503) 1.850 17.452 ( 0.143 0.499 -0.212) 0.560 17.457 ( 0.229 0.154 -0.053) 0.281 17.632 ( 0.156 1.211 -0.003) 1.221 17.663 ( 0.190 -1.699 0.184) 1.719 17.715 ( -0.000 2.013 -0.234) 2.027 17.748 ( -0.277 -1.287 0.107) 1.321 17.879 ( 0.368 1.117 -0.066) 1.178 17.900 ( 0.288 -0.913 0.077) 0.960 18.373 ( 0.023 1.280 -0.013) 1.280 18.397 ( 0.187 1.651 0.347) 1.697 18.413 ( 0.058 -2.307 -0.353) 2.335 18.444 ( 0.180 -2.639 -0.022) 2.645 18.641 ( -0.050 0.293 0.044) 0.301 18.647 ( -0.385 -0.332 0.008) 0.508 18.779 ( 0.557 -0.959 -0.078) 1.112 18.786 ( 0.288 -1.674 0.076) 1.700 27.796 ( -0.024 1.095 -0.041) 1.096 27.802 ( 0.040 1.101 0.043) 1.103 27.821 ( 0.111 -1.306 -0.044) 1.312 27.829 ( 0.188 -1.483 0.043) 1.495 28.299 ( 0.065 0.207 -0.003) 0.217 28.305 ( -0.405 -0.303 0.006) 0.506 28.357 ( 0.340 0.229 0.005) 0.410 28.361 ( -0.021 -0.208 0.001) 0.209 30.481 ( 0.223 2.335 -0.199) 2.354 30.529 ( 0.732 1.652 -0.018) 1.807 30.546 ( -0.236 -3.822 0.125) 3.831 30.587 ( 0.152 -3.813 0.112) 3.818 31.066 ( -0.860 0.661 -0.031) 1.085 31.081 ( -0.727 -0.748 0.110) 1.049 31.607 ( 0.476 1.740 0.243) 1.820 31.637 ( 0.270 -0.834 0.181) 0.895 31.728 ( 1.322 1.050 -1.318) 2.142 31.747 ( -0.583 -0.586 0.230) 0.858 31.872 ( 0.015 -0.764 0.143) 0.777 31.887 ( -1.116 -1.972 -0.720) 2.378 32.246 ( 1.774 4.174 3.799) 5.916 32.322 ( 1.305 -1.116 -0.345) 1.751 32.358 ( 0.804 0.593 -0.688) 1.213 32.421 ( -2.439 -4.401 -1.981) 5.407 32.880 ( 2.508 0.476 -0.139) 2.556 32.919 ( 3.060 -2.490 1.428) 4.195 33.124 ( 1.010 3.580 -0.068) 3.721 33.203 ( 0.386 -4.283 0.036) 4.300 33.896 ( -5.909 8.624 -3.048) 10.889 33.975 ( -3.601 0.406 -0.625) 3.677 34.145 ( -0.285 5.185 1.679) 5.458 34.187 ( -3.886 1.313 1.109) 4.249 ======================= Grid point 63 (21/55) ======================= 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -9.660 0.000 18.779) 21.118 0.525 ( 1.304 0.000 25.963) 25.996 0.713 ( -7.298 0.000 34.579) 35.341 0.738 ( 9.105 0.000 -20.279) 22.229 1.003 ( -2.281 0.000 -21.570) 21.690 1.322 ( 6.918 0.000 -25.018) 25.957 1.410 ( -3.034 0.000 6.577) 7.243 1.450 ( 0.586 0.000 0.872) 1.050 1.498 ( 5.028 0.000 4.400) 6.681 1.556 ( -7.272 0.000 1.995) 7.540 1.627 ( -6.048 0.000 -3.228) 6.855 1.637 ( 4.624 0.000 -0.667) 4.672 1.705 ( 0.997 0.000 2.506) 2.697 1.771 ( 1.035 0.000 -2.874) 3.054 1.874 ( 4.776 0.000 2.423) 5.355 1.874 ( 0.047 0.000 0.918) 0.920 1.947 ( 2.490 0.000 9.326) 9.652 2.051 ( -4.695 0.000 0.344) 4.707 2.117 ( -1.389 0.000 -0.616) 1.519 2.159 ( 5.957 0.000 -3.528) 6.924 2.187 ( -2.044 0.000 -1.291) 2.418 2.292 ( 1.584 0.000 -8.183) 8.335 2.560 ( 0.899 0.000 8.587) 8.634 2.671 ( -1.261 0.000 -3.597) 3.812 3.352 ( 1.057 0.000 2.099) 2.350 3.417 ( -0.944 0.000 -4.093) 4.200 3.585 ( 0.356 0.000 0.885) 0.954 3.594 ( -0.167 0.000 -0.091) 0.191 3.743 ( -6.044 0.000 7.349) 9.515 3.828 ( 2.360 0.000 0.229) 2.372 3.937 ( 0.759 0.000 -0.053) 0.761 3.957 ( 0.039 0.000 0.675) 0.676 4.117 ( -0.678 0.000 2.784) 2.865 4.178 ( -1.823 0.000 -1.127) 2.144 4.200 ( -2.981 0.000 -3.869) 4.885 4.265 ( 7.162 0.000 -5.563) 9.069 4.393 ( -2.790 0.000 0.334) 2.810 4.408 ( 1.602 0.000 -0.745) 1.767 4.484 ( -1.489 0.000 0.470) 1.562 4.499 ( 0.803 0.000 -1.276) 1.508 4.578 ( 0.182 0.000 2.057) 2.065 4.617 ( -1.903 0.000 -2.253) 2.949 4.636 ( -1.775 0.000 6.284) 6.530 4.721 ( 2.479 0.000 -1.659) 2.983 4.803 ( 0.931 0.000 -0.262) 0.967 4.818 ( -0.837 0.000 -1.754) 1.944 4.980 ( -0.965 0.000 0.819) 1.266 5.025 ( 2.044 0.000 -4.143) 4.620 5.117 ( -1.647 0.000 6.314) 6.525 5.197 ( 0.173 0.000 -1.705) 1.714 5.236 ( 0.224 0.000 4.863) 4.869 5.274 ( -2.609 0.000 2.332) 3.499 5.330 ( 1.636 0.000 -4.299) 4.600 5.352 ( -1.156 0.000 -5.128) 5.257 5.374 ( -1.276 0.000 4.018) 4.215 5.468 ( 1.770 0.000 -4.785) 5.102 5.658 ( -7.842 0.000 1.339) 7.956 5.691 ( 2.271 0.000 -1.746) 2.865 5.758 ( -0.796 0.000 1.286) 1.512 5.763 ( 3.913 0.000 0.780) 3.990 5.834 ( 4.901 0.000 3.674) 6.125 5.886 ( -2.259 0.000 -1.643) 2.793 6.141 ( -2.500 0.000 1.139) 2.747 6.198 ( 3.324 0.000 -4.206) 5.361 6.332 ( -0.187 0.000 1.481) 1.492 6.340 ( -0.834 0.000 0.542) 0.995 6.536 ( -4.843 0.000 1.439) 5.052 6.572 ( 6.979 0.000 -2.115) 7.293 6.723 ( -5.830 0.000 5.125) 7.762 6.829 ( 3.148 0.000 -5.092) 5.986 7.204 ( 10.180 0.000 2.998) 10.612 7.257 ( -31.132 0.000 -2.120) 31.204 12.367 ( -0.232 0.000 0.773) 0.807 12.385 ( 0.256 0.000 -0.886) 0.922 12.541 ( -1.871 0.000 0.610) 1.968 12.554 ( 0.302 0.000 -0.545) 0.623 12.707 ( 0.771 0.000 0.567) 0.958 12.719 ( -0.645 0.000 -0.585) 0.871 13.031 ( 0.313 0.000 0.564) 0.645 13.042 ( -0.376 0.000 -0.504) 0.629 13.330 ( 0.272 0.000 0.348) 0.441 13.338 ( -0.306 0.000 -0.405) 0.508 13.503 ( -0.417 0.000 0.826) 0.926 13.522 ( 0.700 0.000 -0.997) 1.219 13.746 ( -3.415 0.000 3.451) 4.855 13.831 ( 2.342 0.000 -4.858) 5.393 14.160 ( -0.713 0.000 5.083) 5.132 14.248 ( 0.415 0.000 -3.447) 3.471 17.015 ( -1.226 0.000 0.447) 1.305 17.029 ( 2.210 0.000 -0.951) 2.406 17.092 ( -0.279 0.000 2.005) 2.024 17.130 ( 0.150 0.000 -1.696) 1.702 17.250 ( 0.409 0.000 0.625) 0.747 17.261 ( -0.313 0.000 -0.402) 0.509 17.360 ( -4.072 0.000 0.475) 4.100 17.373 ( 0.872 0.000 -0.807) 1.188 17.430 ( 1.767 0.000 0.893) 1.980 17.445 ( -3.985 0.000 -0.628) 4.034 17.542 ( -0.120 0.000 0.168) 0.206 17.545 ( 0.086 0.000 -0.144) 0.167 17.725 ( -0.075 0.000 0.094) 0.120 17.727 ( 0.077 0.000 -0.088) 0.117 17.980 ( 2.977 0.000 0.555) 3.029 17.993 ( -8.708 0.000 -0.653) 8.733 18.344 ( 7.365 0.000 0.034) 7.365 18.345 ( -2.496 0.000 -0.054) 2.497 18.465 ( 0.506 0.000 3.254) 3.293 18.543 ( -0.354 0.000 -4.242) 4.257 18.717 ( -2.576 0.000 0.036) 2.576 18.718 ( 7.675 0.000 -0.047) 7.675 18.820 ( -0.398 0.000 3.050) 3.076 18.871 ( 0.330 0.000 -1.925) 1.954 27.808 ( -0.120 0.000 0.005) 0.120 27.808 ( 0.120 0.000 -0.005) 0.120 27.856 ( 1.008 0.000 0.058) 1.009 27.858 ( -0.280 0.000 -0.056) 0.286 28.313 ( -0.162 0.000 0.130) 0.208 28.316 ( 0.222 0.000 -0.131) 0.258 28.386 ( 0.195 0.000 0.127) 0.233 28.389 ( -0.193 0.000 -0.124) 0.229 30.416 ( -2.511 0.000 1.062) 2.727 30.440 ( 6.838 0.000 -1.216) 6.945 30.782 ( 0.716 0.000 2.992) 3.077 30.853 ( -1.029 0.000 -3.801) 3.938 31.149 ( 1.321 0.000 2.856) 3.147 31.200 ( -0.983 0.000 -2.005) 2.233 31.271 ( 0.880 0.000 0.283) 0.925 31.275 ( -0.152 0.000 -0.093) 0.178 31.654 ( 2.866 0.000 1.570) 3.268 31.704 ( -7.462 0.000 -3.544) 8.261 31.893 ( -3.461 0.000 4.603) 5.759 31.955 ( -0.747 0.000 -1.630) 1.793 32.160 ( -1.418 0.000 1.309) 1.929 32.187 ( 0.863 0.000 -0.923) 1.264 32.227 ( -0.975 0.000 0.135) 0.985 32.248 ( 1.304 0.000 -2.022) 2.406 32.452 ( -0.596 0.000 1.004) 1.167 32.480 ( 0.974 0.000 -1.761) 2.013 32.853 ( 0.113 0.000 4.183) 4.184 32.928 ( -0.278 0.000 -3.006) 3.019 34.258 ( 8.283 0.000 0.108) 8.284 34.261 ( -24.880 0.000 -0.102) 24.881 34.621 ( 3.937 0.000 0.283) 3.947 34.627 ( -11.028 0.000 -0.287) 11.032 ======================= Grid point 64 (22/55) ======================= q-point: ( 0.14 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 7.749 0.000 8.694) 11.647 0.740 ( 7.308 0.000 -17.137) 18.630 0.813 ( 6.701 0.000 20.011) 21.103 0.859 ( 7.255 0.000 -16.440) 17.970 0.921 ( -1.011 0.000 25.667) 25.687 1.256 ( 2.983 0.000 -16.466) 16.734 1.358 ( -5.990 0.000 2.696) 6.569 1.433 ( -1.755 0.000 -1.200) 2.126 1.496 ( -2.601 0.000 -2.799) 3.821 1.516 ( 2.937 0.000 -2.455) 3.828 1.649 ( 5.813 0.000 5.871) 8.262 1.700 ( 2.474 0.000 0.764) 2.589 1.712 ( -2.458 0.000 0.046) 2.458 1.746 ( -2.187 0.000 -0.710) 2.300 1.841 ( -1.342 0.000 -3.440) 3.692 1.853 ( -3.174 0.000 -4.116) 5.198 2.017 ( 2.211 0.000 -4.822) 5.305 2.047 ( 0.495 0.000 7.738) 7.754 2.125 ( -1.935 0.000 9.786) 9.975 2.178 ( 0.437 0.000 0.542) 0.696 2.196 ( 3.860 0.000 -11.100) 11.752 2.348 ( 8.916 0.000 -7.907) 11.917 2.645 ( 1.737 0.000 -4.388) 4.719 2.679 ( 5.056 0.000 5.786) 7.683 3.365 ( -1.909 0.000 -2.275) 2.970 3.394 ( 0.890 0.000 2.715) 2.857 3.587 ( -0.845 0.000 2.264) 2.417 3.603 ( 1.966 0.000 -0.661) 2.075 3.716 ( -2.259 0.000 4.754) 5.263 3.856 ( -1.080 0.000 3.416) 3.583 3.949 ( 1.724 0.000 -2.690) 3.195 3.950 ( -1.625 0.000 0.821) 1.821 4.079 ( -5.993 0.000 -0.434) 6.008 4.163 ( 3.028 0.000 3.238) 4.433 4.191 ( 3.173 0.000 -3.397) 4.649 4.329 ( -0.319 0.000 1.254) 1.294 4.380 ( 5.844 0.000 -6.463) 8.714 4.434 ( -0.176 0.000 3.665) 3.670 4.479 ( 0.450 0.000 0.942) 1.043 4.510 ( 0.638 0.000 -0.650) 0.910 4.585 ( -0.108 0.000 -0.328) 0.345 4.612 ( -1.401 0.000 5.778) 5.946 4.635 ( 0.307 0.000 2.682) 2.700 4.711 ( -1.940 0.000 -6.558) 6.839 4.765 ( -1.594 0.000 0.720) 1.749 4.793 ( -1.576 0.000 -0.489) 1.650 4.946 ( -3.507 0.000 1.410) 3.780 5.009 ( -0.346 0.000 -3.575) 3.591 5.142 ( -1.319 0.000 5.501) 5.657 5.182 ( -0.085 0.000 -1.996) 1.997 5.215 ( -4.114 0.000 2.251) 4.690 5.267 ( -1.235 0.000 -4.697) 4.856 5.302 ( 0.680 0.000 6.000) 6.039 5.333 ( 0.594 0.000 -1.114) 1.263 5.395 ( 0.324 0.000 4.004) 4.017 5.467 ( 1.710 0.000 -4.530) 4.842 5.538 ( -9.308 0.000 10.017) 13.674 5.694 ( -1.536 0.000 -2.874) 3.259 5.760 ( 1.302 0.000 -0.709) 1.482 5.766 ( -2.546 0.000 1.427) 2.919 5.840 ( -0.672 0.000 -0.525) 0.853 5.953 ( 3.583 0.000 -1.282) 3.806 6.088 ( -2.913 0.000 0.443) 2.946 6.191 ( -1.547 0.000 -3.710) 4.019 6.301 ( -3.506 0.000 1.172) 3.696 6.335 ( 1.670 0.000 -0.988) 1.941 6.528 ( 2.996 0.000 -1.139) 3.205 6.588 ( -17.410 0.000 10.852) 20.515 6.693 ( 0.792 0.000 1.674) 1.852 6.810 ( -6.638 0.000 7.412) 9.950 6.830 ( 0.695 0.000 -1.270) 1.448 7.216 ( -14.350 0.000 3.553) 14.783 12.360 ( -1.147 0.000 0.742) 1.366 12.373 ( -0.638 0.000 -0.789) 1.015 12.530 ( -0.267 0.000 2.382) 2.397 12.555 ( -0.014 0.000 -0.685) 0.685 12.703 ( -0.712 0.000 -0.938) 1.178 12.731 ( 1.123 0.000 0.788) 1.372 13.036 ( 0.102 0.000 -0.581) 0.590 13.046 ( 0.717 0.000 0.633) 0.957 13.345 ( 1.267 0.000 -0.294) 1.301 13.353 ( 1.609 0.000 0.439) 1.668 13.487 ( -1.782 0.000 0.305) 1.808 13.513 ( -0.547 0.000 -0.835) 0.998 13.725 ( -2.243 0.000 5.041) 5.518 13.842 ( 2.750 0.000 -4.278) 5.086 14.180 ( -1.567 0.000 4.842) 5.089 14.217 ( -0.495 0.000 -3.815) 3.847 16.982 ( -2.273 0.000 -0.098) 2.275 17.034 ( -0.819 0.000 -0.936) 1.243 17.098 ( -0.647 0.000 2.736) 2.812 17.120 ( 0.273 0.000 -1.770) 1.791 17.206 ( -3.783 0.000 0.448) 3.810 17.240 ( -1.689 0.000 0.687) 1.824 17.306 ( -1.287 0.000 2.973) 3.240 17.370 ( -0.180 0.000 -0.776) 0.797 17.428 ( 0.251 0.000 -1.228) 1.254 17.471 ( 0.702 0.000 1.985) 2.106 17.535 ( -0.835 0.000 0.626) 1.044 17.555 ( 1.169 0.000 -0.594) 1.311 17.729 ( 0.374 0.000 0.071) 0.380 17.733 ( 0.576 0.000 -0.077) 0.581 17.882 ( -4.260 0.000 3.037) 5.231 17.955 ( -6.563 0.000 -1.941) 6.844 18.353 ( 3.610 0.000 2.963) 4.670 18.401 ( 0.497 0.000 -2.232) 2.286 18.518 ( 1.605 0.000 2.884) 3.301 18.518 ( 1.484 0.000 -3.813) 4.092 18.700 ( 1.216 0.000 -1.917) 2.270 18.812 ( 1.800 0.000 -2.901) 3.414 18.837 ( -0.484 0.000 2.713) 2.755 18.903 ( 6.423 0.000 -3.782) 7.454 27.802 ( -0.371 0.000 -0.128) 0.393 27.802 ( -0.523 0.000 0.005) 0.523 27.868 ( 1.330 0.000 -0.053) 1.331 27.877 ( 1.061 0.000 -0.559) 1.199 28.310 ( -0.262 0.000 0.052) 0.267 28.316 ( -0.126 0.000 -0.059) 0.139 28.384 ( -0.074 0.000 -0.220) 0.232 28.389 ( 0.102 0.000 0.145) 0.177 30.422 ( 2.517 0.000 0.585) 2.584 30.574 ( 9.001 0.000 -7.304) 11.591 30.806 ( -0.713 0.000 -3.205) 3.283 30.824 ( 0.587 0.000 3.759) 3.805 31.156 ( -1.661 0.000 -2.978) 3.410 31.188 ( 0.407 0.000 2.122) 2.161 31.270 ( -1.388 0.000 1.657) 2.162 31.280 ( 1.004 0.000 -0.301) 1.048 31.631 ( 1.651 0.000 -0.946) 1.902 31.740 ( 3.117 0.000 3.539) 4.716 31.939 ( 1.951 0.000 5.059) 5.422 31.945 ( 0.543 0.000 0.500) 0.738 32.149 ( -0.763 0.000 1.454) 1.642 32.200 ( 1.268 0.000 -0.592) 1.400 32.227 ( 0.626 0.000 0.664) 0.913 32.282 ( 3.630 0.000 -0.510) 3.665 32.438 ( -1.872 0.000 1.187) 2.217 32.481 ( 1.062 0.000 -2.243) 2.482 32.939 ( 4.103 0.000 -3.519) 5.405 32.941 ( 5.814 0.000 3.974) 7.043 33.669 ( -35.410 0.000 25.224) 43.475 34.248 ( -9.892 0.000 3.010) 10.340 34.465 ( -9.140 0.000 1.614) 9.281 34.475 ( -21.495 0.000 -6.028) 22.324 ======================= Grid point 65 (23/55) ======================= q-point: ( 0.29 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 8.719 0.000 -3.009) 9.224 0.687 ( 6.109 0.000 -18.813) 19.780 0.964 ( 12.843 0.000 -7.011) 14.632 1.092 ( 0.139 0.000 14.280) 14.281 1.100 ( 2.949 0.000 15.098) 15.383 1.132 ( -4.443 0.000 0.755) 4.507 1.286 ( -5.326 0.000 7.353) 9.079 1.387 ( -2.064 0.000 -0.881) 2.244 1.454 ( -1.306 0.000 0.814) 1.539 1.604 ( -6.437 0.000 -3.058) 7.126 1.623 ( 6.244 0.000 -6.552) 9.051 1.648 ( -5.539 0.000 -2.276) 5.989 1.739 ( 4.072 0.000 -2.147) 4.604 1.788 ( 3.553 0.000 1.657) 3.920 1.815 ( 1.615 0.000 -3.175) 3.562 1.856 ( 11.619 0.000 -7.444) 13.799 1.996 ( 1.925 0.000 -7.695) 7.932 2.090 ( -0.604 0.000 3.736) 3.784 2.184 ( -1.689 0.000 10.848) 10.979 2.189 ( 4.237 0.000 -7.836) 8.908 2.195 ( 0.109 0.000 1.514) 1.518 2.378 ( -2.750 0.000 -0.604) 2.815 2.671 ( 5.067 0.000 -4.173) 6.564 2.791 ( 1.559 0.000 4.725) 4.976 3.323 ( -1.646 0.000 0.712) 1.793 3.411 ( -0.952 0.000 1.648) 1.904 3.607 ( 1.163 0.000 1.763) 2.112 3.655 ( 3.958 0.000 -1.195) 4.134 3.720 ( -1.296 0.000 3.981) 4.187 3.848 ( -3.054 0.000 4.685) 5.593 3.913 ( -2.358 0.000 -0.296) 2.377 3.948 ( 1.465 0.000 -4.995) 5.205 3.992 ( -4.238 0.000 3.412) 5.440 4.233 ( 3.640 0.000 -2.239) 4.273 4.245 ( 2.242 0.000 1.184) 2.535 4.305 ( -3.303 0.000 1.793) 3.758 4.453 ( 8.471 0.000 -9.712) 12.887 4.456 ( -2.319 0.000 5.693) 6.148 4.500 ( 0.289 0.000 -0.884) 0.930 4.507 ( 2.477 0.000 -0.031) 2.478 4.599 ( -0.878 0.000 0.648) 1.091 4.603 ( -1.170 0.000 0.196) 1.186 4.649 ( 2.858 0.000 -2.536) 3.821 4.701 ( 2.355 0.000 3.828) 4.494 4.751 ( -1.261 0.000 0.724) 1.454 4.756 ( -1.074 0.000 -1.739) 2.043 4.893 ( -3.890 0.000 3.480) 5.219 4.969 ( -0.819 0.000 -2.807) 2.924 5.159 ( -1.100 0.000 4.022) 4.170 5.163 ( -0.242 0.000 -1.990) 2.005 5.177 ( -1.232 0.000 1.166) 1.697 5.213 ( -1.250 0.000 -3.135) 3.375 5.279 ( -6.683 0.000 4.609) 8.118 5.373 ( 3.542 0.000 -3.745) 5.155 5.415 ( -2.831 0.000 0.876) 2.963 5.491 ( 5.934 0.000 0.621) 5.966 5.513 ( -2.891 0.000 8.166) 8.663 5.607 ( -0.760 0.000 -9.056) 9.088 5.704 ( -4.922 0.000 1.958) 5.297 5.776 ( -0.621 0.000 -1.348) 1.484 5.851 ( 0.111 0.000 4.799) 4.800 5.906 ( -6.859 0.000 1.830) 7.099 6.078 ( -6.923 0.000 -1.267) 7.038 6.094 ( 1.973 0.000 -0.704) 2.094 6.273 ( -0.031 0.000 -1.121) 1.122 6.356 ( -2.329 0.000 -2.701) 3.567 6.403 ( -5.663 0.000 8.516) 10.227 6.568 ( 2.018 0.000 -3.462) 4.007 6.655 ( -5.355 0.000 5.134) 7.419 6.844 ( -9.278 0.000 -1.647) 9.423 6.852 ( -8.561 0.000 -2.036) 8.800 6.897 ( 7.323 0.000 -2.870) 7.865 12.342 ( -1.274 0.000 0.670) 1.440 12.355 ( -0.592 0.000 -0.634) 0.867 12.545 ( -0.029 0.000 -0.989) 0.990 12.556 ( 0.641 0.000 2.171) 2.264 12.680 ( -0.939 0.000 -0.490) 1.059 12.749 ( 0.527 0.000 -0.344) 0.629 13.037 ( 0.407 0.000 -0.175) 0.443 13.062 ( 0.605 0.000 0.172) 0.629 13.372 ( 1.698 0.000 0.042) 1.699 13.385 ( 1.558 0.000 0.045) 1.559 13.451 ( -2.033 0.000 -0.035) 2.034 13.497 ( -0.472 0.000 -0.806) 0.934 13.732 ( -1.608 0.000 4.987) 5.240 13.860 ( 3.186 0.000 -5.129) 6.038 14.179 ( -2.418 0.000 3.935) 4.618 14.181 ( -0.088 0.000 -3.087) 3.088 16.946 ( -1.555 0.000 0.405) 1.607 17.003 ( -1.378 0.000 -0.889) 1.640 17.112 ( -0.327 0.000 2.456) 2.478 17.113 ( 0.439 0.000 -1.498) 1.561 17.166 ( -0.998 0.000 -0.556) 1.142 17.211 ( -1.815 0.000 0.435) 1.866 17.315 ( -0.487 0.000 2.553) 2.599 17.365 ( 0.767 0.000 -1.557) 1.736 17.420 ( 0.069 0.000 -1.122) 1.124 17.474 ( -1.654 0.000 0.995) 1.930 17.534 ( 0.181 0.000 1.174) 1.188 17.575 ( 1.816 0.000 -1.383) 2.283 17.736 ( 0.177 0.000 0.037) 0.181 17.744 ( 0.688 0.000 -0.089) 0.694 17.818 ( -3.965 0.000 -3.251) 5.127 17.839 ( -3.318 0.000 2.223) 3.994 18.382 ( -0.271 0.000 -1.897) 1.916 18.412 ( 0.020 0.000 0.385) 0.385 18.559 ( 0.408 0.000 3.170) 3.196 18.562 ( 3.094 0.000 2.834) 4.196 18.714 ( 1.457 0.000 -1.401) 2.021 18.804 ( 0.445 0.000 -2.399) 2.440 18.848 ( -0.337 0.000 2.827) 2.847 18.980 ( 4.914 0.000 -4.152) 6.433 27.795 ( -0.232 0.000 -0.155) 0.279 27.796 ( -0.238 0.000 0.133) 0.273 27.888 ( 0.548 0.000 -0.156) 0.570 27.893 ( 1.096 0.000 0.080) 1.099 28.305 ( -0.321 0.000 0.044) 0.324 28.312 ( -0.251 0.000 -0.044) 0.255 28.383 ( 0.159 0.000 -0.099) 0.187 28.393 ( 0.181 0.000 0.064) 0.192 30.492 ( 2.960 0.000 2.470) 3.855 30.645 ( 5.414 0.000 -6.671) 8.591 30.784 ( 0.375 0.000 -1.444) 1.492 30.852 ( -0.552 0.000 2.982) 3.033 31.099 ( -2.064 0.000 -1.650) 2.642 31.194 ( -0.317 0.000 -0.360) 0.480 31.268 ( -0.691 0.000 2.452) 2.548 31.300 ( 1.103 0.000 -0.244) 1.129 31.685 ( 4.358 0.000 -1.771) 4.704 31.796 ( 1.435 0.000 0.536) 1.532 31.963 ( -1.208 0.000 3.083) 3.311 31.993 ( 0.924 0.000 0.326) 0.980 32.173 ( 1.731 0.000 2.536) 3.070 32.223 ( 1.632 0.000 -0.409) 1.682 32.267 ( 2.061 0.000 4.042) 4.537 32.356 ( 1.559 0.000 3.120) 3.488 32.408 ( -2.706 0.000 1.982) 3.354 32.514 ( 6.348 0.000 -2.011) 6.658 32.990 ( 2.440 0.000 -2.327) 3.372 33.115 ( 10.461 0.000 2.492) 10.754 33.414 ( -13.763 0.000 18.503) 23.061 33.753 ( -26.400 0.000 -28.975) 39.199 34.133 ( -13.784 0.000 5.499) 14.840 34.270 ( -12.611 0.000 -0.344) 12.616 ======================= Grid point 66 (24/55) ======================= q-point: ( 0.43 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 11.969 0.000 -7.707) 14.235 0.765 ( 7.057 0.000 -1.556) 7.227 0.955 ( -7.616 0.000 -1.826) 7.832 1.033 ( -8.454 0.000 -0.516) 8.469 1.178 ( 11.889 0.000 -6.449) 13.525 1.255 ( -7.010 0.000 10.369) 12.516 1.287 ( -3.274 0.000 10.463) 10.963 1.352 ( -0.964 0.000 0.703) 1.193 1.454 ( -0.589 0.000 0.525) 0.789 1.513 ( 2.342 0.000 4.653) 5.209 1.576 ( -1.942 0.000 0.209) 1.953 1.626 ( -0.036 0.000 -2.290) 2.290 1.740 ( 0.536 0.000 -9.646) 9.661 1.798 ( -1.038 0.000 -5.150) 5.254 1.898 ( 9.327 0.000 -2.115) 9.564 1.974 ( 0.225 0.000 -4.262) 4.268 2.089 ( -1.616 0.000 2.902) 3.321 2.090 ( 13.332 0.000 -4.643) 14.117 2.188 ( 1.005 0.000 -1.443) 1.759 2.226 ( -5.885 0.000 1.934) 6.194 2.238 ( 2.201 0.000 2.346) 3.217 2.249 ( -3.046 0.000 1.082) 3.233 2.755 ( 6.390 0.000 -2.198) 6.758 2.787 ( -6.601 0.000 5.781) 8.775 3.324 ( 0.299 0.000 2.632) 2.648 3.393 ( -1.445 0.000 -0.191) 1.457 3.645 ( 1.449 0.000 1.306) 1.951 3.697 ( 1.430 0.000 -1.910) 2.386 3.730 ( -2.397 0.000 6.420) 6.853 3.828 ( -2.828 0.000 4.169) 5.037 3.879 ( -1.024 0.000 0.300) 1.067 3.927 ( 1.433 0.000 -6.650) 6.803 3.986 ( -0.893 0.000 6.086) 6.151 4.195 ( -2.296 0.000 -5.079) 5.573 4.279 ( 2.708 0.000 -0.919) 2.860 4.306 ( -0.138 0.000 1.695) 1.701 4.439 ( -3.181 0.000 4.199) 5.267 4.509 ( 1.329 0.000 -3.056) 3.333 4.523 ( 5.097 0.000 -4.527) 6.817 4.550 ( 0.851 0.000 -0.679) 1.089 4.575 ( -1.573 0.000 0.497) 1.650 4.580 ( 0.182 0.000 -1.696) 1.706 4.729 ( -1.443 0.000 0.471) 1.518 4.730 ( -0.096 0.000 -0.220) 0.240 4.736 ( 5.774 0.000 -1.087) 5.876 4.757 ( 0.417 0.000 1.006) 1.089 4.872 ( -2.879 0.000 6.085) 6.732 4.953 ( 1.803 0.000 -2.741) 3.281 5.134 ( -2.132 0.000 1.252) 2.472 5.144 ( 0.269 0.000 -3.039) 3.051 5.177 ( -0.964 0.000 -0.078) 0.967 5.188 ( -5.200 0.000 3.210) 6.111 5.220 ( 0.695 0.000 3.398) 3.469 5.319 ( -0.581 0.000 -5.287) 5.319 5.453 ( 1.436 0.000 -3.745) 4.011 5.464 ( 0.455 0.000 -12.372) 12.380 5.520 ( -3.441 0.000 8.947) 9.586 5.643 ( 6.661 0.000 -3.769) 7.653 5.657 ( -2.945 0.000 4.464) 5.348 5.728 ( -1.427 0.000 -1.901) 2.377 5.818 ( -3.222 0.000 4.399) 5.452 5.891 ( -3.358 0.000 9.706) 10.270 5.975 ( -3.277 0.000 -0.700) 3.351 6.099 ( -0.018 0.000 -2.138) 2.138 6.261 ( 0.581 0.000 -2.799) 2.859 6.267 ( -4.918 0.000 2.351) 5.451 6.437 ( 2.474 0.000 -0.640) 2.555 6.511 ( -1.559 0.000 -2.997) 3.378 6.604 ( -3.326 0.000 2.743) 4.311 6.656 ( 0.004 0.000 -4.827) 4.827 6.875 ( -1.668 0.000 5.682) 5.922 6.974 ( 3.934 0.000 -4.030) 5.631 12.329 ( -0.681 0.000 0.686) 0.967 12.344 ( -0.085 0.000 -0.630) 0.636 12.546 ( 0.652 0.000 -0.202) 0.683 12.567 ( -0.811 0.000 0.377) 0.894 12.675 ( 0.251 0.000 1.465) 1.486 12.744 ( -0.100 0.000 -1.725) 1.728 13.046 ( 0.397 0.000 0.382) 0.551 13.067 ( 0.056 0.000 -0.446) 0.450 13.405 ( 1.720 0.000 0.587) 1.817 13.405 ( 0.759 0.000 -0.170) 0.777 13.420 ( -1.441 0.000 0.317) 1.475 13.478 ( -0.726 0.000 -1.817) 1.956 13.745 ( -1.585 0.000 5.363) 5.592 13.872 ( 2.851 0.000 -5.930) 6.580 14.157 ( -2.788 0.000 2.864) 3.997 14.172 ( 1.210 0.000 -1.757) 2.134 16.935 ( -0.472 0.000 1.244) 1.331 16.978 ( -0.346 0.000 -1.380) 1.423 17.114 ( 0.807 0.000 -0.821) 1.151 17.114 ( -1.111 0.000 1.121) 1.578 17.160 ( 0.544 0.000 0.100) 0.553 17.186 ( -1.121 0.000 -0.067) 1.123 17.322 ( -0.879 0.000 2.308) 2.470 17.372 ( 1.487 0.000 -2.268) 2.712 17.419 ( 0.618 0.000 -0.432) 0.754 17.441 ( -2.009 0.000 0.021) 2.009 17.550 ( -0.142 0.000 1.783) 1.788 17.594 ( 1.631 0.000 -2.049) 2.619 17.738 ( 0.244 0.000 0.585) 0.634 17.753 ( 0.391 0.000 -0.175) 0.429 17.774 ( 0.050 0.000 -0.676) 0.678 17.794 ( -2.915 0.000 0.979) 3.075 18.369 ( 0.357 0.000 -1.253) 1.302 18.393 ( -0.755 0.000 -1.937) 2.079 18.583 ( -0.621 0.000 3.335) 3.393 18.623 ( 1.089 0.000 2.100) 2.366 18.726 ( 0.246 0.000 0.715) 0.756 18.796 ( 0.857 0.000 -2.601) 2.739 18.874 ( -0.187 0.000 4.548) 4.552 19.009 ( 2.220 0.000 -4.818) 5.305 27.792 ( 0.023 0.000 -0.050) 0.055 27.794 ( -0.163 0.000 0.065) 0.176 27.896 ( 0.275 0.000 0.204) 0.342 27.905 ( 0.288 0.000 -0.172) 0.335 28.301 ( -0.112 0.000 0.127) 0.170 28.307 ( -0.150 0.000 -0.164) 0.222 28.387 ( 0.202 0.000 0.167) 0.262 28.395 ( 0.018 0.000 -0.089) 0.091 30.550 ( 0.553 0.000 3.647) 3.689 30.671 ( 3.077 0.000 -6.142) 6.869 30.794 ( 1.104 0.000 0.291) 1.142 30.847 ( -1.523 0.000 0.420) 1.580 31.073 ( -0.615 0.000 1.643) 1.755 31.174 ( -0.518 0.000 -2.713) 2.762 31.277 ( -0.491 0.000 2.356) 2.406 31.310 ( 0.413 0.000 -0.553) 0.690 31.745 ( 3.149 0.000 -0.486) 3.186 31.808 ( 0.053 0.000 -1.441) 1.442 31.947 ( -1.868 0.000 1.722) 2.541 31.986 ( -0.316 0.000 -1.961) 1.987 32.227 ( 2.280 0.000 0.578) 2.352 32.246 ( 0.879 0.000 -0.389) 0.961 32.348 ( 0.738 0.000 2.507) 2.613 32.362 ( -1.409 0.000 1.256) 1.888 32.404 ( -0.344 0.000 12.159) 12.164 32.660 ( 5.083 0.000 3.475) 6.158 32.946 ( -5.590 0.000 -1.164) 5.710 33.182 ( -8.350 0.000 -29.166) 30.338 33.348 ( 13.810 0.000 -0.272) 13.813 33.396 ( -3.443 0.000 8.344) 9.027 33.955 ( -10.223 0.000 6.790) 12.273 34.057 ( -6.994 0.000 -2.712) 7.501 ======================= Grid point 67 (25/55) ======================= q-point: (-0.43 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -11.996 0.000 -7.196) 13.989 0.800 ( -4.818 0.000 -5.664) 7.436 0.915 ( 3.046 0.000 2.276) 3.803 0.993 ( 14.670 0.000 2.309) 14.850 1.085 ( -12.689 0.000 2.666) 12.966 1.326 ( -0.984 0.000 7.426) 7.491 1.360 ( 9.504 0.000 -0.679) 9.528 1.372 ( 3.312 0.000 0.337) 3.329 1.488 ( 0.627 0.000 7.354) 7.381 1.527 ( -3.864 0.000 -1.164) 4.036 1.617 ( 0.845 0.000 -1.133) 1.414 1.641 ( -2.568 0.000 -7.837) 8.247 1.660 ( 4.779 0.000 7.435) 8.838 1.694 ( -3.788 0.000 -11.042) 11.674 1.901 ( -5.415 0.000 -3.149) 6.264 1.934 ( -7.393 0.000 0.183) 7.395 2.012 ( -8.079 0.000 0.752) 8.113 2.133 ( 0.125 0.000 -0.534) 0.548 2.164 ( 7.532 0.000 -0.567) 7.553 2.194 ( -4.166 0.000 3.226) 5.269 2.318 ( 4.703 0.000 -2.039) 5.126 2.389 ( 13.772 0.000 -10.539) 17.342 2.667 ( -11.440 0.000 8.173) 14.060 2.834 ( 2.287 0.000 0.328) 2.310 3.363 ( -0.827 0.000 -1.741) 1.928 3.370 ( 1.938 0.000 3.319) 3.844 3.664 ( -1.397 0.000 1.264) 1.884 3.677 ( -1.460 0.000 -1.987) 2.466 3.737 ( -3.007 0.000 9.498) 9.962 3.809 ( -2.509 0.000 2.652) 3.651 3.885 ( 1.071 0.000 0.687) 1.273 3.901 ( 1.623 0.000 -6.438) 6.639 4.048 ( 1.983 0.000 7.073) 7.345 4.148 ( 2.100 0.000 -6.810) 7.127 4.284 ( -2.870 0.000 -0.528) 2.918 4.313 ( 0.978 0.000 0.804) 1.266 4.418 ( -2.865 0.000 3.750) 4.719 4.507 ( 2.002 0.000 -2.682) 3.347 4.508 ( -2.938 0.000 -0.777) 3.039 4.545 ( -1.922 0.000 0.958) 2.148 4.567 ( 2.087 0.000 -2.622) 3.352 4.592 ( 0.561 0.000 -0.690) 0.889 4.706 ( -1.315 0.000 1.558) 2.039 4.712 ( -3.254 0.000 0.697) 3.327 4.762 ( 1.412 0.000 -0.926) 1.689 4.793 ( 1.727 0.000 -2.737) 3.236 4.874 ( -1.379 0.000 4.928) 5.117 4.969 ( 1.117 0.000 -3.094) 3.289 5.112 ( -1.278 0.000 0.810) 1.513 5.127 ( -0.104 0.000 -0.330) 0.346 5.163 ( 0.352 0.000 3.176) 3.196 5.187 ( 0.121 0.000 3.049) 3.052 5.243 ( 0.843 0.000 2.438) 2.579 5.309 ( 4.286 0.000 -6.729) 7.978 5.392 ( -1.800 0.000 -4.310) 4.671 5.418 ( -0.021 0.000 -4.433) 4.433 5.520 ( -3.994 0.000 6.815) 7.899 5.652 ( -1.452 0.000 5.656) 5.839 5.695 ( 3.025 0.000 -6.652) 7.307 5.719 ( 1.192 0.000 -1.595) 1.991 5.872 ( -0.696 0.000 1.132) 1.329 5.895 ( 5.415 0.000 5.474) 7.699 5.983 ( 1.315 0.000 6.942) 7.065 6.078 ( 0.897 0.000 -5.848) 5.916 6.208 ( -3.307 0.000 2.820) 4.346 6.266 ( 1.051 0.000 -0.427) 1.134 6.471 ( 2.171 0.000 -0.392) 2.206 6.549 ( 7.969 0.000 -7.802) 11.152 6.588 ( -0.747 0.000 2.260) 2.381 6.656 ( 4.035 0.000 -2.606) 4.804 6.865 ( -5.007 0.000 6.586) 8.273 6.972 ( -0.598 0.000 -3.848) 3.894 12.329 ( 0.112 0.000 0.692) 0.701 12.343 ( 0.650 0.000 -0.654) 0.922 12.543 ( -1.535 0.000 -0.033) 1.536 12.563 ( 0.946 0.000 0.586) 1.113 12.702 ( 0.636 0.000 2.161) 2.253 12.720 ( -0.546 0.000 -2.545) 2.603 13.055 ( 0.076 0.000 0.692) 0.697 13.058 ( -0.551 0.000 -0.715) 0.903 13.400 ( -1.094 0.000 0.324) 1.142 13.408 ( -0.904 0.000 0.061) 0.906 13.444 ( 1.495 0.000 1.385) 2.038 13.450 ( 0.251 0.000 -2.345) 2.358 13.755 ( -2.188 0.000 5.358) 5.787 13.866 ( 1.931 0.000 -6.330) 6.618 14.130 ( -2.241 0.000 2.343) 3.242 14.195 ( 2.322 0.000 -0.938) 2.505 16.946 ( 0.514 0.000 1.579) 1.661 16.967 ( 0.471 0.000 -1.780) 1.841 17.098 ( -1.246 0.000 0.673) 1.416 17.130 ( 1.380 0.000 -0.296) 1.412 17.169 ( -0.457 0.000 -0.715) 0.849 17.179 ( 1.207 0.000 0.555) 1.329 17.320 ( -1.327 0.000 2.383) 2.727 17.378 ( 1.425 0.000 -2.983) 3.307 17.411 ( -1.277 0.000 0.311) 1.315 17.437 ( 1.332 0.000 0.366) 1.381 17.552 ( -1.163 0.000 1.896) 2.224 17.594 ( 0.156 0.000 -2.259) 2.264 17.747 ( -0.185 0.000 0.472) 0.508 17.751 ( -0.604 0.000 -0.479) 0.771 17.764 ( -0.395 0.000 0.182) 0.435 17.802 ( 3.218 0.000 0.235) 3.227 18.365 ( -0.834 0.000 -1.146) 1.418 18.375 ( 0.928 0.000 -0.294) 0.973 18.591 ( -1.286 0.000 3.186) 3.436 18.638 ( 0.166 0.000 -0.584) 0.607 18.736 ( -0.231 0.000 1.973) 1.987 18.792 ( 1.232 0.000 -3.199) 3.428 18.899 ( -1.859 0.000 5.537) 5.841 18.985 ( -0.086 0.000 -5.932) 5.932 27.792 ( -0.034 0.000 -0.020) 0.040 27.794 ( 0.250 0.000 -0.002) 0.250 27.900 ( -0.102 0.000 0.298) 0.315 27.902 ( -0.400 0.000 -0.301) 0.501 28.303 ( 0.177 0.000 0.199) 0.266 28.305 ( 0.086 0.000 -0.218) 0.235 28.392 ( -0.230 0.000 -0.237) 0.330 28.392 ( 0.084 0.000 0.242) 0.256 30.567 ( -2.140 0.000 4.136) 4.657 30.658 ( 1.119 0.000 -6.892) 6.982 30.812 ( -1.730 0.000 -1.136) 2.070 30.826 ( 1.493 0.000 1.603) 2.191 31.099 ( 0.640 0.000 4.082) 4.132 31.137 ( -0.484 0.000 -3.825) 3.855 31.284 ( -0.815 0.000 2.174) 2.322 31.307 ( -0.171 0.000 -0.717) 0.737 31.768 ( -2.483 0.000 -2.506) 3.527 31.787 ( 1.342 0.000 0.397) 1.399 31.946 ( 0.108 0.000 1.931) 1.934 31.973 ( 0.807 0.000 -1.018) 1.299 32.238 ( -1.180 0.000 -0.784) 1.417 32.248 ( -0.128 0.000 -0.546) 0.561 32.355 ( -0.244 0.000 0.732) 0.772 32.361 ( 1.073 0.000 1.193) 1.604 32.573 ( 0.031 0.000 27.106) 27.106 32.618 ( -6.822 0.000 -4.601) 8.228 32.793 ( -6.384 0.000 -7.929) 10.180 33.026 ( 3.710 0.000 -11.276) 11.871 33.313 ( -10.276 0.000 2.907) 10.679 33.560 ( 12.085 0.000 -7.970) 14.477 33.964 ( 7.268 0.000 7.215) 10.241 34.052 ( 8.237 0.000 -3.105) 8.802 ======================= Grid point 68 (26/55) ======================= q-point: (-0.29 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -13.205 0.000 -0.277) 13.208 0.624 ( -11.303 0.000 -1.796) 11.445 0.907 ( -5.718 0.000 -3.251) 6.577 0.966 ( -6.861 0.000 10.930) 12.904 1.288 ( 13.042 0.000 0.638) 13.058 1.368 ( 2.533 0.000 1.180) 2.794 1.405 ( -4.057 0.000 2.717) 4.883 1.428 ( -2.559 0.000 -0.420) 2.593 1.481 ( -1.846 0.000 -7.208) 7.440 1.512 ( -0.667 0.000 -8.033) 8.060 1.548 ( -2.025 0.000 8.174) 8.421 1.599 ( 6.230 0.000 -1.734) 6.467 1.630 ( 1.058 0.000 0.525) 1.181 1.755 ( -1.796 0.000 2.607) 3.165 1.788 ( -1.341 0.000 0.522) 1.439 1.798 ( -2.516 0.000 -3.184) 4.058 1.934 ( -3.318 0.000 -0.079) 3.319 2.105 ( -6.329 0.000 1.834) 6.589 2.140 ( 0.664 0.000 -0.576) 0.879 2.258 ( 5.119 0.000 -6.922) 8.609 2.360 ( 3.041 0.000 -6.292) 6.989 2.455 ( 0.083 0.000 -6.584) 6.585 2.558 ( -6.825 0.000 8.111) 10.601 2.830 ( -3.095 0.000 0.691) 3.171 3.340 ( -0.100 0.000 -1.732) 1.735 3.434 ( 2.663 0.000 1.026) 2.854 3.616 ( -4.773 0.000 2.795) 5.531 3.631 ( -1.921 0.000 -0.987) 2.160 3.772 ( -2.249 0.000 9.677) 9.935 3.784 ( -1.087 0.000 0.389) 1.154 3.893 ( 2.047 0.000 -3.416) 3.982 3.916 ( 1.706 0.000 0.209) 1.719 4.145 ( 3.428 0.000 -7.375) 8.133 4.159 ( 3.154 0.000 7.883) 8.490 4.218 ( -3.048 0.000 -0.523) 3.092 4.313 ( -2.037 0.000 -0.424) 2.081 4.392 ( -0.981 0.000 0.586) 1.143 4.462 ( -2.341 0.000 2.654) 3.539 4.503 ( -2.472 0.000 -0.373) 2.500 4.522 ( 0.373 0.000 -2.280) 2.311 4.573 ( -2.638 0.000 1.742) 3.161 4.600 ( 3.257 0.000 0.701) 3.332 4.654 ( -2.700 0.000 -0.847) 2.829 4.720 ( 1.381 0.000 1.693) 2.185 4.768 ( -1.081 0.000 -3.532) 3.694 4.780 ( 1.235 0.000 -1.320) 1.808 4.911 ( 1.782 0.000 3.095) 3.572 4.966 ( 2.219 0.000 -2.811) 3.581 5.114 ( -0.690 0.000 2.602) 2.692 5.155 ( 1.489 0.000 4.541) 4.779 5.187 ( 0.565 0.000 1.052) 1.194 5.214 ( -0.755 0.000 5.029) 5.085 5.309 ( 1.867 0.000 0.950) 2.095 5.321 ( 2.722 0.000 -0.456) 2.760 5.359 ( -4.062 0.000 3.439) 5.322 5.406 ( 4.898 0.000 -3.015) 5.751 5.493 ( -3.030 0.000 2.452) 3.898 5.681 ( 1.529 0.000 -5.997) 6.189 5.695 ( 0.579 0.000 6.198) 6.225 5.722 ( 1.522 0.000 -0.753) 1.698 5.910 ( 0.894 0.000 3.147) 3.272 5.982 ( -2.466 0.000 -3.951) 4.658 6.061 ( 5.925 0.000 -1.769) 6.183 6.085 ( 5.495 0.000 -0.127) 5.496 6.226 ( 1.770 0.000 3.997) 4.372 6.285 ( 0.649 0.000 1.697) 1.817 6.524 ( 1.929 0.000 1.448) 2.413 6.612 ( 8.157 0.000 -9.297) 12.368 6.641 ( 5.010 0.000 10.523) 11.654 6.756 ( 2.593 0.000 -3.196) 4.115 6.826 ( 1.967 0.000 2.331) 3.050 6.900 ( -4.328 0.000 -2.150) 4.833 12.342 ( 0.595 0.000 0.627) 0.865 12.356 ( 1.288 0.000 -0.647) 1.442 12.523 ( -1.018 0.000 1.181) 1.559 12.578 ( 0.025 0.000 0.145) 0.147 12.693 ( -0.106 0.000 -1.905) 1.908 12.725 ( 0.199 0.000 1.675) 1.687 13.040 ( -0.728 0.000 -0.467) 0.865 13.058 ( -0.252 0.000 0.516) 0.574 13.374 ( -2.092 0.000 -0.196) 2.101 13.382 ( -1.368 0.000 0.393) 1.423 13.461 ( 2.089 0.000 -1.155) 2.387 13.476 ( 0.928 0.000 1.073) 1.418 13.748 ( -3.045 0.000 5.416) 6.214 13.848 ( 1.691 0.000 -6.065) 6.297 14.119 ( -1.213 0.000 2.885) 3.130 14.231 ( 2.389 0.000 -1.268) 2.705 16.967 ( 1.079 0.000 -1.641) 1.964 16.977 ( 1.392 0.000 1.510) 2.054 17.084 ( -1.094 0.000 1.219) 1.638 17.154 ( -0.234 0.000 0.014) 0.234 17.161 ( 2.307 0.000 -1.570) 2.791 17.211 ( 1.731 0.000 0.574) 1.824 17.317 ( -1.218 0.000 3.017) 3.254 17.375 ( 0.943 0.000 -3.182) 3.319 17.402 ( -0.203 0.000 0.599) 0.633 17.471 ( 1.744 0.000 1.181) 2.106 17.543 ( -1.115 0.000 1.578) 1.932 17.568 ( -0.893 0.000 -1.997) 2.188 17.739 ( -0.339 0.000 -0.276) 0.438 17.741 ( -0.645 0.000 0.193) 0.673 17.772 ( 0.911 0.000 0.769) 1.193 17.871 ( 4.189 0.000 -0.925) 4.290 18.351 ( -0.390 0.000 0.771) 0.864 18.396 ( 1.229 0.000 0.509) 1.330 18.587 ( -1.649 0.000 2.290) 2.822 18.623 ( -0.563 0.000 -2.088) 2.163 18.750 ( -0.192 0.000 2.334) 2.342 18.781 ( 0.810 0.000 -6.107) 6.160 18.885 ( -4.345 0.000 4.914) 6.559 18.922 ( -1.387 0.000 -5.566) 5.736 27.793 ( 0.264 0.000 -0.008) 0.265 27.799 ( 0.314 0.000 -0.138) 0.344 27.888 ( -0.835 0.000 -0.112) 0.842 27.895 ( -0.613 0.000 -0.126) 0.626 28.307 ( 0.310 0.000 -0.168) 0.352 28.309 ( 0.252 0.000 0.194) 0.318 28.385 ( -0.228 0.000 -0.223) 0.319 28.393 ( -0.095 0.000 0.068) 0.117 30.538 ( -4.600 0.000 4.217) 6.240 30.598 ( -1.229 0.000 -8.649) 8.736 30.775 ( -1.348 0.000 -0.583) 1.468 30.869 ( 1.595 0.000 1.368) 2.101 31.105 ( 0.036 0.000 -2.557) 2.557 31.151 ( 1.317 0.000 3.975) 4.188 31.281 ( -1.287 0.000 1.801) 2.214 31.295 ( -0.517 0.000 -0.577) 0.774 31.695 ( -3.075 0.000 -2.218) 3.792 31.795 ( -0.423 0.000 -0.015) 0.423 31.968 ( 0.325 0.000 1.900) 1.928 32.010 ( 3.359 0.000 -0.294) 3.372 32.206 ( -1.172 0.000 -1.128) 1.627 32.227 ( -1.309 0.000 -0.730) 1.499 32.338 ( -2.547 0.000 -0.924) 2.709 32.402 ( 2.145 0.000 0.547) 2.214 32.491 ( -1.124 0.000 -5.543) 5.655 32.538 ( -12.116 0.000 -3.438) 12.594 32.944 ( 10.084 0.000 39.803) 41.060 32.967 ( -5.009 0.000 -1.019) 5.111 33.144 ( -8.502 0.000 2.790) 8.948 33.727 ( 17.685 0.000 -13.511) 22.256 34.222 ( 11.532 0.000 -3.289) 11.992 34.246 ( 15.789 0.000 2.475) 15.982 ======================= Grid point 69 (27/55) ======================= q-point: (-0.14 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 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -6.703 0.000 19.385) 20.511 0.439 ( -11.143 0.000 14.292) 18.123 0.787 ( -24.068 0.000 23.602) 33.709 0.794 ( 0.791 0.000 -14.710) 14.732 1.247 ( -5.289 0.000 -20.173) 20.854 1.380 ( 3.037 0.000 -6.344) 7.034 1.402 ( 2.180 0.000 -8.176) 8.462 1.405 ( 0.727 0.000 5.840) 5.885 1.419 ( 1.643 0.000 -1.850) 2.474 1.556 ( 5.568 0.000 -2.412) 6.068 1.610 ( -0.670 0.000 9.791) 9.814 1.673 ( 0.383 0.000 2.294) 2.326 1.731 ( 5.930 0.000 -1.902) 6.228 1.741 ( 0.979 0.000 4.881) 4.978 1.755 ( -3.381 0.000 -2.062) 3.961 1.805 ( 3.586 0.000 2.297) 4.258 1.886 ( -2.851 0.000 4.280) 5.142 2.056 ( -0.549 0.000 2.620) 2.677 2.147 ( 0.608 0.000 -1.541) 1.656 2.213 ( -3.280 0.000 -8.125) 8.762 2.327 ( -8.123 0.000 -4.147) 9.120 2.337 ( 1.141 0.000 -7.327) 7.415 2.525 ( -4.186 0.000 8.514) 9.488 2.749 ( -4.588 0.000 -1.614) 4.863 3.333 ( 0.081 0.000 0.172) 0.190 3.458 ( 0.365 0.000 -3.209) 3.229 3.571 ( -1.751 0.000 3.053) 3.519 3.602 ( -0.801 0.000 -0.051) 0.803 3.785 ( -4.305 0.000 7.702) 8.823 3.788 ( 1.788 0.000 -0.869) 1.988 3.916 ( 1.640 0.000 -0.224) 1.655 3.944 ( 1.036 0.000 0.206) 1.056 4.134 ( -1.994 0.000 0.575) 2.075 4.200 ( 4.638 0.000 -6.257) 7.788 4.231 ( -3.637 0.000 2.780) 4.578 4.249 ( 0.212 0.000 -2.547) 2.556 4.399 ( 1.712 0.000 -3.499) 3.895 4.448 ( -3.253 0.000 -0.106) 3.255 4.494 ( 1.614 0.000 2.528) 2.999 4.505 ( -0.164 0.000 -1.416) 1.425 4.556 ( -1.355 0.000 6.628) 6.765 4.603 ( -1.406 0.000 -0.115) 1.411 4.660 ( 0.922 0.000 0.832) 1.242 4.699 ( -0.486 0.000 -3.917) 3.947 4.788 ( 1.024 0.000 -1.392) 1.728 4.792 ( 3.744 0.000 -0.259) 3.753 4.965 ( 1.677 0.000 1.201) 2.062 5.002 ( 3.956 0.000 -3.931) 5.576 5.113 ( -2.254 0.000 4.337) 4.887 5.200 ( 0.734 0.000 -0.641) 0.974 5.207 ( 0.119 0.000 2.260) 2.263 5.265 ( 5.327 0.000 -1.306) 5.485 5.281 ( -2.126 0.000 2.651) 3.398 5.375 ( -1.174 0.000 3.992) 4.161 5.426 ( -1.061 0.000 -1.136) 1.554 5.458 ( 3.036 0.000 -3.533) 4.658 5.516 ( 7.244 0.000 16.574) 18.088 5.671 ( 2.113 0.000 -4.124) 4.634 5.733 ( -1.024 0.000 1.672) 1.961 5.755 ( 0.614 0.000 1.506) 1.626 5.873 ( -3.990 0.000 -4.388) 5.931 5.921 ( -1.772 0.000 2.004) 2.675 6.143 ( 2.023 0.000 0.527) 2.091 6.156 ( 4.999 0.000 -4.897) 6.998 6.300 ( 3.734 0.000 1.210) 3.925 6.312 ( 0.685 0.000 1.497) 1.646 6.530 ( 0.170 0.000 -1.468) 1.478 6.642 ( -7.021 0.000 3.154) 7.697 6.758 ( 8.888 0.000 -5.588) 10.499 6.800 ( -5.819 0.000 1.502) 6.010 6.975 ( 13.912 0.000 -7.467) 15.789 7.094 ( 27.435 0.000 25.149) 37.218 12.358 ( 0.515 0.000 0.637) 0.820 12.376 ( 1.297 0.000 -0.737) 1.492 12.533 ( 0.783 0.000 2.131) 2.270 12.565 ( -0.727 0.000 -0.941) 1.189 12.692 ( 0.643 0.000 -0.136) 0.658 12.733 ( -0.396 0.000 0.610) 0.727 13.028 ( -0.339 0.000 0.092) 0.352 13.054 ( -0.427 0.000 -0.120) 0.444 13.341 ( -1.424 0.000 0.097) 1.428 13.357 ( -1.406 0.000 0.019) 1.406 13.495 ( 0.404 0.000 0.801) 0.897 13.497 ( 2.457 0.000 -0.683) 2.551 13.745 ( -1.755 0.000 6.022) 6.272 13.835 ( 1.966 0.000 -5.642) 5.975 14.132 ( -0.505 0.000 4.222) 4.252 14.253 ( 1.506 0.000 -2.326) 2.771 16.986 ( 2.195 0.000 -0.411) 2.233 17.011 ( 0.866 0.000 1.212) 1.489 17.080 ( -0.687 0.000 2.156) 2.262 17.142 ( -0.093 0.000 -1.448) 1.451 17.209 ( 3.236 0.000 -0.168) 3.240 17.247 ( 1.731 0.000 0.010) 1.731 17.337 ( 1.004 0.000 3.513) 3.654 17.366 ( 0.948 0.000 -2.754) 2.913 17.409 ( 0.338 0.000 0.571) 0.664 17.510 ( 1.013 0.000 -0.917) 1.366 17.540 ( -0.294 0.000 0.798) 0.850 17.545 ( 0.096 0.000 -0.449) 0.459 17.731 ( -0.581 0.000 0.115) 0.592 17.731 ( -0.354 0.000 -0.104) 0.369 17.849 ( 6.648 0.000 8.274) 10.614 17.927 ( 3.312 0.000 -1.814) 3.776 18.360 ( -0.140 0.000 1.738) 1.744 18.421 ( 0.661 0.000 -0.190) 0.688 18.535 ( -6.050 0.000 -6.941) 9.208 18.587 ( -0.971 0.000 -3.239) 3.381 18.688 ( -3.808 0.000 -5.038) 6.315 18.759 ( -1.492 0.000 2.311) 2.751 18.830 ( -4.434 0.000 3.499) 5.648 18.880 ( 0.079 0.000 -1.703) 1.705 27.801 ( 0.526 0.000 -0.026) 0.527 27.803 ( 0.318 0.000 -0.163) 0.358 27.871 ( -1.009 0.000 0.146) 1.019 27.872 ( -1.561 0.000 -0.725) 1.721 28.312 ( 0.303 0.000 -0.111) 0.323 28.314 ( 0.027 0.000 0.171) 0.173 28.382 ( 0.083 0.000 -0.064) 0.105 28.391 ( -0.104 0.000 -0.017) 0.106 30.474 ( -4.910 0.000 -6.673) 8.285 30.475 ( -5.329 0.000 3.438) 6.342 30.761 ( -0.346 0.000 1.157) 1.207 30.887 ( 0.218 0.000 -1.776) 1.789 31.109 ( 1.051 0.000 1.058) 1.491 31.200 ( 1.521 0.000 1.244) 1.965 31.266 ( -1.489 0.000 1.314) 1.986 31.282 ( -0.526 0.000 -0.153) 0.548 31.638 ( -1.111 0.000 -1.261) 1.681 31.784 ( -0.609 0.000 -0.478) 0.774 31.976 ( -0.631 0.000 0.393) 0.743 32.028 ( -1.214 0.000 -8.031) 8.122 32.186 ( 0.122 0.000 -1.294) 1.300 32.191 ( -2.329 0.000 -0.659) 2.420 32.271 ( -1.761 0.000 -2.959) 3.444 32.294 ( -8.273 0.000 -2.774) 8.725 32.442 ( 0.722 0.000 1.338) 1.520 32.474 ( 1.430 0.000 -2.483) 2.865 32.872 ( -5.019 0.000 2.642) 5.671 32.995 ( -5.071 0.000 -1.337) 5.244 33.883 ( 45.834 0.000 62.450) 77.464 33.994 ( 21.743 0.000 -10.814) 24.284 34.378 ( 8.051 0.000 -1.853) 8.261 34.494 ( 10.526 0.000 -1.367) 10.615 ======================= Grid point 70 (28/55) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -8.012 13.425 12.732) 20.163 0.550 ( -2.426 12.194 14.740) 19.283 0.809 ( 7.570 6.862 -17.662) 20.405 0.936 ( 3.824 0.982 -19.317) 19.717 1.122 ( -3.061 23.365 19.880) 30.831 1.421 ( -1.210 1.664 3.017) 3.652 1.467 ( -0.344 2.050 1.817) 2.760 1.496 ( 2.330 7.350 -5.257) 9.332 1.525 ( 2.657 4.302 -0.588) 5.091 1.582 ( -5.787 1.783 -0.156) 6.057 1.638 ( -4.102 0.932 -2.038) 4.675 1.648 ( 3.893 1.220 -1.301) 4.282 1.744 ( 0.957 3.240 1.949) 3.900 1.800 ( -0.412 1.146 -1.504) 1.935 1.854 ( 0.581 0.401 1.894) 2.021 1.863 ( 4.677 1.897 1.126) 5.171 2.022 ( 1.083 3.720 6.884) 7.900 2.099 ( -2.392 3.669 -2.211) 4.907 2.177 ( -3.965 5.010 -1.130) 6.488 2.190 ( 2.430 3.718 3.477) 5.641 2.276 ( 1.544 8.138 -6.846) 10.746 2.320 ( -0.016 4.028 -5.809) 7.069 2.608 ( -0.323 4.509 6.115) 7.604 2.688 ( -0.104 1.935 -2.832) 3.432 3.398 ( -1.018 -0.480 2.142) 2.420 3.429 ( -0.226 -0.795 -0.544) 0.989 3.572 ( -0.902 2.257 3.834) 4.540 3.642 ( 1.975 3.249 -3.376) 5.084 3.734 ( -2.655 -0.145 5.960) 6.526 3.835 ( 2.850 -0.168 -2.980) 4.127 3.914 ( -2.005 -2.008 2.491) 3.776 3.975 ( 0.551 1.527 0.574) 1.721 4.039 ( -1.014 -5.939 0.980) 6.104 4.095 ( -2.582 -3.805 2.151) 5.076 4.131 ( 2.889 -2.958 -4.843) 6.368 4.213 ( 3.200 -4.377 -5.664) 7.841 4.394 ( -1.473 -1.679 4.216) 4.771 4.418 ( -2.105 -0.106 1.379) 2.518 4.472 ( 1.131 -1.350 1.314) 2.197 4.511 ( 1.683 1.728 -0.598) 2.485 4.550 ( -1.324 1.849 1.123) 2.537 4.586 ( -0.659 -0.907 0.334) 1.170 4.689 ( -0.714 4.168 3.018) 5.195 4.758 ( 0.275 5.785 -2.395) 6.267 4.819 ( 1.247 0.490 -0.102) 1.344 4.848 ( 0.212 3.330 -2.005) 3.893 4.998 ( -2.026 -1.189 3.521) 4.232 5.074 ( 1.317 0.480 -3.855) 4.102 5.124 ( -2.909 -0.652 3.929) 4.932 5.200 ( 1.955 -2.088 -3.504) 4.523 5.233 ( 0.920 4.188 2.988) 5.227 5.277 ( -1.692 0.947 -0.832) 2.110 5.321 ( -0.166 3.844 1.377) 4.087 5.353 ( -0.133 2.711 -1.160) 2.952 5.447 ( 0.151 2.385 2.894) 3.754 5.522 ( 1.550 2.896 -2.091) 3.894 5.628 ( -0.688 -3.362 -0.872) 3.541 5.651 ( 0.139 -1.768 -1.880) 2.584 5.694 ( -0.863 -5.249 5.104) 7.372 5.774 ( 0.214 -2.073 -1.552) 2.598 5.889 ( -0.438 6.437 3.880) 7.529 5.975 ( 1.204 3.621 -2.307) 4.459 6.109 ( -1.461 -3.237 -3.689) 5.121 6.140 ( 3.045 -5.502 -4.092) 7.502 6.316 ( -1.011 -0.139 2.770) 2.952 6.354 ( 0.542 0.111 -0.539) 0.773 6.514 ( -3.456 -1.503 0.367) 3.786 6.533 ( 5.712 -4.104 -1.299) 7.152 6.706 ( -4.936 -1.397 4.690) 6.951 6.789 ( 2.858 -2.937 -3.633) 5.477 7.095 ( 3.846 -3.622 12.606) 13.669 7.404 ( -10.779 1.269 -19.293) 22.137 12.338 ( -0.323 -2.560 0.428) 2.615 12.347 ( 0.322 -3.039 -0.390) 3.081 12.526 ( -0.166 0.565 0.729) 0.937 12.539 ( -0.363 -0.997 -0.633) 1.235 12.761 ( -1.289 3.112 0.949) 3.499 12.791 ( 1.783 4.849 -2.125) 5.587 13.041 ( 0.213 0.468 0.926) 1.060 13.054 ( -0.261 0.894 -0.476) 1.046 13.335 ( 0.542 0.676 0.255) 0.903 13.344 ( -0.465 0.725 -0.676) 1.095 13.529 ( -0.978 1.432 1.741) 2.457 13.560 ( 1.554 2.765 -1.537) 3.525 13.699 ( -2.818 -2.118 5.878) 6.854 13.818 ( 2.302 -0.772 -5.947) 6.424 14.156 ( -0.767 -0.724 4.361) 4.486 14.233 ( 0.437 -1.421 -2.988) 3.338 16.988 ( 0.785 -2.770 1.086) 3.077 17.005 ( -0.819 -1.149 -0.539) 1.510 17.059 ( -0.138 -0.540 1.342) 1.453 17.108 ( 0.582 -0.952 -3.785) 3.946 17.262 ( -0.446 -0.136 0.147) 0.489 17.266 ( 0.917 0.677 -0.400) 1.208 17.347 ( -2.660 -0.465 1.210) 2.959 17.371 ( 1.086 -0.161 -1.201) 1.627 17.424 ( 1.269 -0.537 0.308) 1.412 17.428 ( -1.132 -0.833 -0.157) 1.414 17.587 ( 1.254 2.643 0.300) 2.941 17.604 ( -2.039 2.903 -1.854) 4.003 17.731 ( -1.352 0.457 0.476) 1.504 17.737 ( 0.574 1.009 -0.260) 1.189 17.913 ( -2.770 -3.845 3.820) 6.087 17.950 ( 1.979 -2.472 -0.647) 3.232 18.331 ( 2.791 -0.488 0.486) 2.875 18.338 ( -1.661 -0.450 -0.217) 1.735 18.463 ( 0.339 -0.206 3.030) 3.056 18.536 ( -0.403 -0.814 -3.980) 4.083 18.714 ( -0.501 1.124 2.934) 3.182 18.782 ( 1.876 0.953 -3.903) 4.435 18.806 ( -0.253 -1.303 2.712) 3.020 18.855 ( 0.092 -1.543 -1.886) 2.439 27.809 ( -0.199 0.092 0.023) 0.221 27.811 ( 0.172 0.081 -0.096) 0.213 27.845 ( 0.300 -0.873 0.111) 0.930 27.847 ( -0.128 -0.931 -0.061) 0.942 28.308 ( -0.204 -0.480 0.005) 0.521 28.310 ( 0.228 -0.478 -0.102) 0.539 28.384 ( 0.180 -0.214 0.131) 0.309 28.387 ( -0.185 -0.203 -0.144) 0.310 30.405 ( -1.693 -0.801 0.660) 1.986 30.416 ( 2.822 -1.366 -0.174) 3.140 30.773 ( 0.428 -1.142 3.020) 3.257 30.847 ( -0.507 -1.708 -3.997) 4.377 31.147 ( 0.691 -0.047 2.358) 2.457 31.188 ( 0.443 -0.317 -1.735) 1.818 31.353 ( -2.920 8.586 5.197) 10.452 31.483 ( 5.645 8.870 -8.516) 13.530 31.631 ( 2.494 -0.914 1.042) 2.854 31.667 ( -5.089 -1.729 -2.325) 5.856 31.895 ( -0.989 0.448 4.883) 5.002 31.978 ( -1.532 1.179 -2.924) 3.505 32.158 ( 3.345 -1.317 0.848) 3.694 32.180 ( -2.069 -0.458 -0.877) 2.294 32.301 ( 0.121 4.669 1.099) 4.799 32.303 ( -1.260 5.228 0.787) 5.435 32.547 ( -0.573 8.105 1.489) 8.261 32.594 ( 1.192 9.428 -2.997) 9.964 32.859 ( 0.987 1.041 3.034) 3.357 32.911 ( -0.935 -1.394 -1.942) 2.567 34.208 ( 6.067 -4.138 1.596) 7.516 34.273 ( -10.616 -0.858 -5.725) 12.092 34.539 ( 3.551 -5.084 3.563) 7.152 34.605 ( -7.137 -2.911 -3.623) 8.517 ======================= Grid point 71 (29/55) ======================= q-point: ( 0.14 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 5.008 8.854 9.393) 13.846 0.708 ( 4.534 4.225 14.726) 15.977 0.784 ( 5.821 5.846 -15.723) 17.756 0.950 ( 11.120 7.759 -16.207) 21.131 1.264 ( 0.705 18.572 17.551) 25.563 1.378 ( -8.106 6.488 0.116) 10.384 1.400 ( -3.332 5.345 0.502) 6.319 1.466 ( -2.918 2.553 -2.288) 4.502 1.533 ( 5.409 2.044 -5.762) 8.163 1.543 ( -1.237 4.458 -2.551) 5.283 1.647 ( 4.772 0.014 4.240) 6.384 1.691 ( 0.821 0.011 0.087) 0.825 1.752 ( -1.625 2.039 -1.348) 2.935 1.759 ( -5.797 -1.532 -2.894) 6.658 1.809 ( 1.742 0.946 0.240) 1.996 1.910 ( -1.411 5.255 -3.282) 6.354 2.028 ( 1.401 0.214 0.622) 1.547 2.102 ( -1.133 4.229 6.144) 7.544 2.184 ( 0.551 6.069 5.591) 8.270 2.243 ( 1.483 3.997 -5.898) 7.277 2.276 ( 4.864 8.193 -6.881) 11.752 2.333 ( 4.440 3.254 0.806) 5.564 2.660 ( 1.539 1.983 0.535) 2.566 2.712 ( 4.581 2.942 0.593) 5.476 3.368 ( -3.354 -1.406 2.225) 4.264 3.434 ( -0.063 0.614 0.668) 0.910 3.595 ( 0.827 2.164 2.257) 3.234 3.654 ( 2.556 2.289 -3.560) 4.944 3.737 ( -1.389 2.443 4.443) 5.257 3.852 ( 1.390 -3.031 -3.802) 5.057 3.886 ( -3.501 -1.916 3.965) 5.625 3.969 ( -1.027 1.152 -0.854) 1.764 4.032 ( -0.406 -4.427 -2.099) 4.916 4.076 ( -0.839 -3.262 4.308) 5.468 4.167 ( 4.291 -0.929 -3.098) 5.374 4.260 ( 5.772 -7.547 -4.554) 10.536 4.382 ( -2.547 1.872 1.822) 3.648 4.413 ( 0.320 -0.839 3.378) 3.495 4.488 ( 0.619 0.036 -0.740) 0.965 4.516 ( -1.196 -1.894 -3.637) 4.271 4.559 ( 1.523 0.369 2.696) 3.118 4.588 ( 0.098 0.073 1.366) 1.371 4.686 ( -1.447 2.742 1.971) 3.674 4.754 ( 0.655 5.265 -0.732) 5.356 4.801 ( -2.030 2.695 -1.586) 3.728 4.825 ( -1.247 4.157 -1.018) 4.458 4.983 ( -2.827 0.254 4.237) 5.100 5.044 ( -1.077 0.172 -3.166) 3.349 5.123 ( -0.523 -1.150 4.045) 4.238 5.195 ( -0.335 -0.479 -2.641) 2.705 5.237 ( -1.224 3.517 -1.064) 3.873 5.266 ( -0.171 2.451 1.705) 2.991 5.331 ( 0.891 3.014 0.951) 3.284 5.358 ( 1.290 2.141 -0.773) 2.616 5.442 ( -2.207 4.521 2.686) 5.703 5.525 ( -0.118 2.425 -1.319) 2.763 5.568 ( -4.858 2.687 -0.944) 5.631 5.642 ( 0.248 -5.809 0.333) 5.823 5.727 ( 0.387 -5.171 2.783) 5.885 5.749 ( -1.371 -3.836 -1.937) 4.511 5.918 ( 0.493 5.495 2.589) 6.094 5.982 ( -1.835 0.696 -0.041) 1.963 6.040 ( -0.293 -1.976 -4.048) 4.514 6.128 ( -2.383 -5.205 -2.197) 6.131 6.297 ( -1.387 0.087 -0.079) 1.392 6.344 ( 0.096 0.769 -1.843) 2.000 6.501 ( 1.704 -3.084 -0.560) 3.568 6.632 ( 1.170 -3.698 2.726) 4.741 6.665 ( -3.542 2.136 1.574) 4.425 6.810 ( 0.663 -0.614 0.875) 1.258 6.862 ( -18.006 5.609 -1.436) 18.914 7.231 ( -9.382 0.163 7.305) 11.891 12.326 ( -1.235 -2.920 0.333) 3.188 12.341 ( -0.598 -2.677 -0.319) 2.761 12.535 ( 0.454 0.365 0.134) 0.598 12.541 ( 0.817 -0.226 0.654) 1.071 12.735 ( -1.691 3.326 0.324) 3.745 12.806 ( 0.973 4.618 -1.073) 4.840 13.046 ( -0.142 0.702 -0.674) 0.984 13.054 ( 0.561 0.620 0.800) 1.157 13.341 ( 0.807 0.096 -0.381) 0.898 13.361 ( 1.660 0.710 0.394) 1.848 13.505 ( -2.529 1.172 0.804) 2.902 13.555 ( -0.347 3.434 -1.713) 3.853 13.702 ( -1.999 -1.830 5.860) 6.456 13.821 ( 2.956 -1.178 -5.366) 6.238 14.168 ( -1.770 -1.165 4.388) 4.873 14.207 ( -0.396 -0.973 -3.356) 3.517 16.972 ( -1.863 -0.765 -0.876) 2.196 16.997 ( -0.806 -2.916 1.097) 3.218 17.069 ( 0.101 -0.951 0.991) 1.378 17.090 ( 0.256 -0.858 -1.982) 2.174 17.231 ( -2.815 1.039 0.173) 3.005 17.263 ( -0.714 1.193 -0.456) 1.463 17.307 ( -1.593 0.037 2.695) 3.131 17.369 ( -0.088 -0.052 -0.929) 0.935 17.423 ( 0.220 -0.302 -0.767) 0.853 17.454 ( 1.087 -1.014 0.653) 1.624 17.561 ( -1.188 2.608 0.056) 2.866 17.606 ( 0.148 2.477 0.749) 2.592 17.721 ( -0.449 -0.604 0.847) 1.133 17.751 ( 0.849 1.669 0.149) 1.879 17.881 ( -2.321 -0.019 2.210) 3.205 17.933 ( -3.778 -2.120 -2.211) 4.864 18.341 ( 2.606 -0.827 1.410) 3.076 18.380 ( 1.349 -1.490 -1.338) 2.415 18.506 ( 0.946 -0.788 -0.930) 1.542 18.517 ( 1.933 -0.570 0.469) 2.069 18.684 ( -1.096 -0.356 -0.173) 1.166 18.814 ( -1.050 -1.483 0.685) 1.942 18.828 ( 1.480 -0.194 -0.722) 1.658 18.882 ( 5.327 -1.956 -1.713) 5.927 27.798 ( -0.662 -0.207 0.065) 0.697 27.802 ( -0.665 -0.110 -0.100) 0.681 27.862 ( 1.411 -0.630 -0.001) 1.545 27.863 ( 1.191 -1.032 -0.164) 1.584 28.301 ( -0.312 -0.578 0.004) 0.657 28.316 ( 0.261 -0.149 -0.041) 0.303 28.378 ( -0.402 -0.448 -0.088) 0.608 28.388 ( 0.038 -0.199 0.082) 0.218 30.413 ( 2.240 -0.752 0.379) 2.393 30.504 ( 6.499 -4.028 -2.387) 8.010 30.804 ( -0.472 -1.647 -1.607) 2.349 30.810 ( 0.241 -1.239 1.740) 2.150 31.152 ( -1.968 -0.341 -2.102) 2.900 31.165 ( -0.629 -1.234 1.103) 1.771 31.353 ( -1.181 8.318 4.032) 9.319 31.469 ( -0.454 9.043 -5.776) 10.739 31.629 ( 3.336 0.288 -2.304) 4.065 31.712 ( 3.596 -1.231 2.426) 4.509 31.928 ( -0.691 -1.440 2.461) 2.934 31.966 ( 2.148 1.908 1.540) 3.260 32.139 ( -0.857 -1.003 -1.334) 1.876 32.208 ( 1.631 -0.525 -0.720) 1.859 32.298 ( 0.510 3.450 1.692) 3.876 32.335 ( 1.897 7.373 0.705) 7.645 32.542 ( -1.272 8.669 2.019) 8.992 32.601 ( 2.574 9.684 -3.193) 10.517 32.915 ( 3.820 -2.134 -2.441) 5.010 32.954 ( 6.295 1.672 2.348) 6.924 33.802 ( -32.055 10.290 8.743) 34.783 34.204 ( -8.481 -3.857 4.572) 10.378 34.383 ( -12.638 -5.147 -1.457) 13.723 34.481 ( -14.501 -1.092 -0.599) 14.554 ======================= Grid point 72 (30/55) ======================= q-point: ( 0.29 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 7.720 9.322 -2.054) 12.277 0.801 ( 7.046 8.410 -8.374) 13.802 0.919 ( 5.989 -2.828 12.160) 13.847 1.036 ( 9.733 7.024 -9.668) 15.413 1.210 ( -8.312 6.391 -0.896) 10.523 1.331 ( -3.690 5.419 6.057) 8.926 1.377 ( -5.843 9.274 9.277) 14.361 1.409 ( -2.218 3.218 0.088) 3.910 1.506 ( -1.053 4.044 0.196) 4.184 1.604 ( -1.201 0.816 -2.713) 3.077 1.636 ( 2.149 0.031 -5.560) 5.960 1.664 ( -2.565 2.113 -1.357) 3.590 1.711 ( 0.181 -1.355 -4.728) 4.922 1.758 ( 4.377 -1.593 0.434) 4.678 1.840 ( 1.119 2.958 -1.321) 3.427 1.919 ( 7.826 2.352 -1.957) 8.402 2.066 ( 1.993 4.625 0.585) 5.070 2.136 ( -0.494 4.435 6.262) 7.690 2.230 ( 2.799 5.811 -2.637) 6.968 2.252 ( 2.438 5.514 0.081) 6.029 2.296 ( 2.790 9.916 -5.104) 11.496 2.386 ( -2.852 3.285 4.697) 6.402 2.695 ( 3.817 2.364 -1.903) 4.876 2.806 ( 2.904 1.673 2.005) 3.906 3.329 ( -3.104 -0.663 3.280) 4.564 3.429 ( -0.877 -0.069 0.104) 0.886 3.634 ( 1.409 1.395 1.852) 2.713 3.682 ( 2.911 0.908 -2.154) 3.734 3.750 ( -0.295 3.034 1.855) 3.568 3.823 ( -0.571 -6.427 -3.074) 7.147 3.862 ( -2.823 0.579 3.800) 4.769 3.931 ( -1.691 1.952 -1.477) 2.975 4.005 ( -0.905 -0.752 -0.485) 1.272 4.116 ( 1.429 -7.068 1.628) 7.393 4.223 ( 3.696 -1.477 -2.069) 4.486 4.331 ( 4.358 -5.202 -4.360) 8.066 4.355 ( -1.873 1.024 2.197) 3.063 4.407 ( -2.018 -2.828 -1.487) 3.779 4.477 ( 1.969 -2.422 -1.593) 3.504 4.521 ( 2.625 -1.368 -1.047) 3.140 4.560 ( -1.905 -0.874 1.067) 2.352 4.628 ( 2.328 2.380 0.884) 3.445 4.700 ( 0.297 1.847 1.005) 2.123 4.745 ( -0.699 4.541 0.531) 4.625 4.761 ( -1.629 2.535 0.466) 3.049 4.800 ( -0.693 5.225 0.078) 5.271 4.968 ( -2.770 2.811 5.238) 6.558 5.008 ( -0.175 1.315 -2.249) 2.611 5.129 ( -0.799 -0.816 -0.774) 1.380 5.176 ( -1.062 3.051 2.040) 3.821 5.217 ( -0.226 3.026 -0.581) 3.090 5.260 ( -1.325 3.241 0.402) 3.524 5.359 ( -0.356 0.014 0.408) 0.542 5.362 ( 0.627 -0.605 -2.905) 3.033 5.446 ( 0.522 6.223 2.809) 6.847 5.477 ( -3.800 0.104 1.094) 3.956 5.510 ( 1.140 1.730 -1.978) 2.865 5.638 ( -1.533 -2.100 0.398) 2.630 5.711 ( -0.012 -3.619 -2.875) 4.621 5.749 ( -0.669 -1.405 2.939) 3.326 5.886 ( -6.791 -0.219 3.488) 7.637 5.955 ( -1.071 3.442 0.949) 3.727 6.004 ( -2.718 -5.151 -1.158) 5.938 6.063 ( -0.021 0.242 -4.487) 4.493 6.264 ( -2.483 -1.934 -1.639) 3.548 6.329 ( 0.068 0.279 -3.755) 3.766 6.498 ( -7.896 5.337 4.144) 10.393 6.533 ( 0.934 -3.571 -0.997) 3.823 6.610 ( -5.876 1.655 5.494) 8.212 6.784 ( 1.087 -4.178 -2.118) 4.809 6.846 ( -0.314 -0.129 1.948) 1.977 7.046 ( -8.554 8.124 0.178) 11.799 12.305 ( -1.213 -3.075 0.419) 3.333 12.325 ( -0.729 -2.609 -0.415) 2.741 12.544 ( 0.462 0.279 -0.098) 0.548 12.566 ( 0.985 0.510 0.647) 1.284 12.712 ( -1.091 3.320 0.632) 3.551 12.806 ( 0.043 4.223 -1.194) 4.388 13.042 ( 0.229 0.326 -0.274) 0.484 13.070 ( 0.621 0.720 0.215) 0.975 13.363 ( 1.672 -0.408 0.106) 1.724 13.396 ( 1.681 0.539 0.143) 1.771 13.461 ( -2.553 0.810 0.335) 2.699 13.529 ( -0.666 2.900 -2.240) 3.725 13.715 ( -1.780 -1.527 5.814) 6.269 13.838 ( 3.361 -1.325 -5.159) 6.298 14.161 ( -2.423 -1.503 3.640) 4.624 14.175 ( -0.116 -0.611 -2.792) 2.860 16.936 ( -1.388 -0.788 -0.188) 1.607 16.980 ( -1.312 -1.940 0.073) 2.344 17.075 ( 0.517 -1.252 -0.534) 1.456 17.091 ( -0.036 -0.885 1.117) 1.425 17.195 ( -1.175 1.338 0.203) 1.792 17.240 ( -1.293 1.713 -0.661) 2.245 17.315 ( -0.307 -0.061 2.557) 2.576 17.364 ( 0.710 -0.072 -1.371) 1.546 17.418 ( 0.044 -0.061 -0.785) 0.788 17.462 ( -0.828 -0.768 0.476) 1.226 17.560 ( 0.249 2.279 1.157) 2.568 17.611 ( 0.598 2.021 -0.525) 2.173 17.717 ( -0.930 -0.975 0.840) 1.588 17.764 ( 0.514 1.715 -0.898) 2.003 17.821 ( -3.385 0.143 -2.324) 4.108 17.869 ( -1.726 1.990 1.283) 2.931 18.375 ( 0.079 -0.611 -1.629) 1.742 18.397 ( 0.696 -1.371 0.753) 1.712 18.523 ( 1.998 -1.870 0.862) 2.869 18.569 ( 1.336 -0.715 2.956) 3.321 18.681 ( 1.193 -1.908 -1.416) 2.659 18.790 ( -1.151 -1.821 -0.984) 2.369 18.849 ( 0.770 -0.198 1.417) 1.625 18.953 ( 3.789 -2.457 -2.218) 5.031 27.789 ( -0.362 -0.437 -0.022) 0.568 27.793 ( -0.314 -0.278 0.020) 0.420 27.879 ( 0.728 -0.778 -0.027) 1.065 27.887 ( 1.123 -0.577 0.016) 1.263 28.298 ( -0.084 -0.465 0.019) 0.473 28.316 ( -0.279 0.194 -0.034) 0.341 28.374 ( 0.043 -0.759 0.004) 0.761 28.388 ( -0.005 -0.408 -0.003) 0.408 30.476 ( 2.935 -1.458 1.940) 3.808 30.587 ( 5.278 -4.159 -3.918) 7.778 30.782 ( 0.342 -1.274 -1.887) 2.302 30.830 ( -0.742 -2.114 2.634) 3.458 31.095 ( -2.275 -0.301 -1.032) 2.517 31.153 ( -0.838 -2.193 -0.552) 2.412 31.365 ( -0.404 8.147 2.454) 8.518 31.430 ( -0.300 8.155 -1.846) 8.367 31.690 ( 4.777 0.552 -2.592) 5.463 31.775 ( 1.742 -1.202 0.894) 2.298 31.924 ( -1.810 -2.850 2.383) 4.132 32.013 ( 0.940 0.933 -0.555) 1.436 32.140 ( 2.056 -2.320 -0.785) 3.198 32.226 ( 1.352 -0.092 0.300) 1.388 32.338 ( 0.694 1.616 3.486) 3.905 32.373 ( 1.852 8.476 -0.033) 8.676 32.546 ( -0.646 11.357 4.693) 12.306 32.654 ( 6.349 10.037 -2.367) 12.110 32.974 ( 3.500 -1.540 -3.160) 4.961 33.121 ( 10.209 1.005 1.363) 10.348 33.440 ( -17.379 3.027 13.788) 22.389 33.867 ( -24.606 9.248 -17.420) 31.535 34.089 ( -13.138 -3.797 4.833) 14.504 34.235 ( -12.261 -2.777 -0.362) 12.577 ======================= Grid point 73 (31/55) ======================= q-point: ( 0.43 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 8.001 9.000 -2.651) 12.331 0.886 ( 6.228 9.496 -3.341) 11.837 1.001 ( -7.198 2.154 0.119) 7.515 1.044 ( -1.330 4.173 -0.439) 4.402 1.221 ( 10.074 3.748 -3.783) 11.395 1.282 ( -7.820 1.701 4.962) 9.416 1.339 ( -2.390 3.828 4.996) 6.732 1.362 ( -1.114 1.392 3.534) 3.958 1.491 ( -0.216 2.929 -0.621) 3.002 1.551 ( -1.143 3.430 -1.264) 3.830 1.623 ( -1.185 2.391 -0.187) 2.675 1.633 ( -0.020 2.486 0.449) 2.527 1.680 ( 0.093 -4.161 -7.156) 8.279 1.774 ( -1.174 -1.272 -4.280) 4.617 1.921 ( 7.586 2.852 -0.109) 8.105 2.025 ( 1.961 0.588 -2.203) 3.008 2.116 ( -0.872 3.661 8.368) 9.175 2.194 ( 1.871 5.144 3.063) 6.273 2.272 ( -3.096 7.726 0.034) 8.323 2.277 ( 0.723 6.061 -1.856) 6.380 2.307 ( 2.318 7.912 -1.684) 8.415 2.321 ( 3.357 9.148 -3.612) 10.392 2.764 ( 2.811 1.368 0.857) 3.241 2.821 ( -2.031 2.935 1.300) 3.798 3.313 ( -2.074 -1.548 4.739) 5.400 3.407 ( -0.712 -0.129 -1.623) 1.778 3.664 ( -0.542 -1.300 3.618) 3.883 3.710 ( 0.396 2.778 0.379) 2.831 3.752 ( 0.468 1.240 -1.578) 2.061 3.803 ( 1.386 -5.897 -4.245) 7.397 3.849 ( -1.532 0.631 3.759) 4.108 3.898 ( -1.327 2.550 0.268) 2.887 3.996 ( -0.196 -0.062 0.955) 0.977 4.127 ( 0.517 -7.104 -3.418) 7.901 4.256 ( 1.626 -1.815 -1.752) 3.002 4.296 ( -0.731 2.122 -1.732) 2.835 4.372 ( -0.893 -3.832 1.903) 4.370 4.414 ( 2.070 -5.426 -1.640) 6.034 4.493 ( -0.517 -4.222 0.323) 4.266 4.526 ( 0.430 -1.434 -0.714) 1.658 4.578 ( 2.697 0.201 -1.203) 2.960 4.638 ( -0.824 1.752 -2.282) 2.993 4.721 ( 2.340 3.215 1.362) 4.204 4.747 ( -0.464 2.595 0.780) 2.749 4.758 ( -1.041 2.031 2.294) 3.236 4.786 ( -0.476 3.979 -0.780) 4.082 4.964 ( -2.976 3.095 5.930) 7.321 5.013 ( 2.571 2.852 -1.710) 4.204 5.115 ( -0.097 1.503 0.590) 1.617 5.167 ( -1.634 3.453 1.158) 3.992 5.222 ( 0.216 2.339 -0.187) 2.357 5.236 ( -0.147 3.179 2.237) 3.890 5.298 ( -2.300 -0.653 -5.526) 6.021 5.356 ( -0.746 5.748 0.847) 5.858 5.442 ( -0.143 -0.344 -3.394) 3.415 5.473 ( 2.274 1.331 -3.724) 4.562 5.565 ( -0.139 -1.907 6.994) 7.251 5.625 ( 0.523 2.751 3.316) 4.340 5.703 ( 2.062 -1.766 -4.195) 4.997 5.737 ( -2.933 -2.728 4.625) 6.119 5.816 ( -3.332 3.732 0.296) 5.012 5.872 ( -3.832 -0.917 1.504) 4.218 6.002 ( -0.136 -4.280 -1.331) 4.484 6.032 ( 0.905 1.667 -4.968) 5.318 6.199 ( -3.521 -2.506 1.181) 4.480 6.266 ( -1.411 -0.208 -7.215) 7.354 6.465 ( -0.876 -0.975 3.913) 4.127 6.520 ( -2.427 3.979 2.446) 5.264 6.579 ( 0.859 1.095 2.057) 2.484 6.722 ( -2.206 2.323 -3.608) 4.825 6.870 ( -0.918 -0.377 5.810) 5.894 7.002 ( 1.734 2.951 -4.082) 5.327 12.293 ( -0.542 -3.033 0.644) 3.147 12.312 ( -0.258 -2.762 -0.643) 2.848 12.552 ( 0.405 0.555 0.289) 0.746 12.576 ( -0.104 0.751 -0.467) 0.891 12.713 ( -0.008 3.395 2.162) 4.025 12.791 ( -0.201 3.849 -2.123) 4.400 13.049 ( 0.410 0.235 0.470) 0.667 13.075 ( 0.021 0.715 -0.535) 0.893 13.399 ( 1.757 -0.575 0.440) 1.901 13.416 ( 0.281 0.540 -0.374) 0.714 13.427 ( -1.270 0.717 1.141) 1.851 13.497 ( -0.570 2.043 -3.022) 3.693 13.730 ( -1.754 -1.246 5.944) 6.321 13.853 ( 2.902 -1.314 -5.532) 6.384 14.141 ( -2.650 -1.425 2.954) 4.217 14.165 ( 1.085 -0.634 -1.895) 2.274 16.923 ( -0.263 -0.921 0.703) 1.188 16.958 ( -0.702 -1.724 -0.867) 2.053 17.085 ( 0.822 -0.818 0.072) 1.162 17.095 ( -0.563 -0.982 0.946) 1.476 17.187 ( -0.152 0.926 0.282) 0.980 17.212 ( -0.685 2.041 -1.154) 2.443 17.327 ( -0.690 0.284 2.410) 2.523 17.373 ( 1.509 -0.079 -1.874) 2.407 17.417 ( 0.456 -0.027 -0.343) 0.571 17.437 ( -1.746 -0.307 0.036) 1.773 17.575 ( -0.171 2.250 1.661) 2.802 17.621 ( 1.399 1.955 -1.975) 3.111 17.701 ( -1.408 -1.657 1.211) 2.489 17.740 ( -0.194 -0.750 -2.565) 2.680 17.806 ( 0.499 2.409 1.617) 2.944 17.848 ( -1.199 3.207 0.208) 3.430 18.367 ( 0.411 -0.180 -1.172) 1.255 18.388 ( -0.657 -0.524 -1.579) 1.789 18.564 ( 0.157 -1.792 3.217) 3.686 18.608 ( 0.624 -1.539 1.853) 2.488 18.697 ( 1.244 -2.196 -0.377) 2.552 18.762 ( -0.778 -2.757 -1.537) 3.251 18.879 ( 0.501 -0.142 2.955) 3.001 18.979 ( 1.506 -2.742 -3.333) 4.571 27.786 ( -0.046 -0.505 0.043) 0.509 27.789 ( -0.147 -0.382 -0.028) 0.410 27.890 ( 0.312 -0.616 0.242) 0.731 27.899 ( 0.325 -0.566 -0.219) 0.689 28.299 ( 0.158 -0.168 0.098) 0.251 28.308 ( -0.373 0.081 -0.138) 0.406 28.378 ( 0.192 -0.793 0.213) 0.843 28.387 ( -0.067 -0.663 -0.156) 0.684 30.531 ( 0.671 -1.755 3.152) 3.669 30.631 ( 3.222 -3.480 -4.786) 6.738 30.784 ( 0.423 -1.637 0.259) 1.711 30.822 ( -1.209 -2.300 0.243) 2.610 31.067 ( -0.792 -0.487 1.078) 1.424 31.131 ( -0.450 -2.479 -1.957) 3.190 31.377 ( -0.304 7.854 2.049) 8.122 31.418 ( 0.122 7.981 -1.158) 8.066 31.752 ( 3.721 0.562 -1.411) 4.019 31.792 ( -0.049 -0.892 -0.610) 1.082 31.901 ( -2.251 -3.339 2.599) 4.793 31.991 ( -0.499 -0.231 -4.107) 4.144 32.188 ( 2.492 -2.722 1.037) 3.834 32.249 ( 0.440 0.050 -0.284) 0.526 32.354 ( -2.247 1.782 4.194) 5.081 32.402 ( 2.294 6.765 -2.042) 7.429 32.621 ( 1.779 16.121 12.433) 20.436 32.784 ( 6.424 8.859 2.132) 11.149 32.938 ( -4.169 -0.396 -2.743) 5.006 33.318 ( -0.869 1.762 -1.629) 2.552 33.339 ( -5.305 9.334 -17.673) 20.679 33.368 ( 0.398 -1.755 3.614) 4.037 33.929 ( -8.641 -1.988 6.645) 11.080 34.036 ( -6.686 -1.625 -2.168) 7.215 ======================= Grid point 74 (32/55) ======================= q-point: (-0.43 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -10.590 7.232 -1.071) 12.869 0.926 ( -2.166 8.506 -3.376) 9.405 0.992 ( 0.717 6.946 -0.551) 7.004 1.041 ( 11.607 5.326 -1.304) 12.836 1.165 ( -7.279 5.343 1.809) 9.209 1.349 ( 0.486 2.317 2.685) 3.580 1.368 ( 1.837 0.280 2.793) 3.355 1.379 ( 5.689 1.476 -0.690) 5.918 1.530 ( 1.464 3.711 4.066) 5.696 1.560 ( -2.430 -2.688 -5.964) 6.979 1.585 ( 1.643 1.720 -0.771) 2.500 1.622 ( 1.201 -2.167 -4.382) 5.034 1.667 ( 0.449 2.176 3.841) 4.437 1.701 ( -1.100 2.219 -3.322) 4.144 1.955 ( -6.836 3.633 -2.248) 8.062 2.009 ( 0.747 2.085 -0.476) 2.266 2.067 ( -11.542 8.487 4.615) 15.051 2.180 ( 0.276 2.062 5.735) 6.100 2.212 ( -4.594 4.539 3.521) 7.356 2.293 ( 2.263 11.713 -3.539) 12.443 2.336 ( 3.261 2.365 -3.037) 5.044 2.463 ( 11.965 6.901 -10.279) 17.218 2.706 ( -9.212 4.037 6.408) 11.926 2.845 ( 1.610 1.174 -0.388) 2.030 3.328 ( -1.037 -3.829 5.817) 7.041 3.387 ( 0.532 0.504 -2.178) 2.298 3.660 ( -3.703 -3.910 4.559) 7.056 3.713 ( -0.431 3.769 0.726) 3.863 3.727 ( -1.239 3.658 -2.036) 4.366 3.810 ( 3.220 -5.541 -5.105) 8.193 3.860 ( -0.760 1.685 3.302) 3.784 3.890 ( -0.310 1.089 1.811) 2.136 4.015 ( 0.994 -1.922 2.168) 3.063 4.106 ( 1.636 -5.091 -5.302) 7.531 4.259 ( -0.414 -3.927 -0.814) 4.032 4.276 ( -0.746 2.019 -1.541) 2.647 4.364 ( -2.245 -4.086 2.638) 5.357 4.411 ( -0.194 -3.071 -1.331) 3.352 4.492 ( -0.015 -3.037 0.913) 3.171 4.533 ( 0.996 -2.875 -1.502) 3.393 4.596 ( -0.724 2.324 -1.737) 2.991 4.607 ( 0.458 0.306 -0.210) 0.589 4.718 ( -3.367 2.928 1.182) 4.616 4.755 ( -0.314 3.678 0.568) 3.734 4.775 ( 1.599 2.209 0.928) 2.880 4.786 ( 1.724 2.801 -1.066) 3.458 4.948 ( -2.868 2.229 4.221) 5.569 5.051 ( 2.112 2.911 -1.448) 3.877 5.131 ( -0.708 2.850 3.567) 4.620 5.171 ( 1.824 4.006 0.710) 4.459 5.180 ( -1.814 2.823 -2.298) 4.067 5.271 ( 3.542 -0.131 -5.007) 6.135 5.305 ( 2.789 2.466 4.857) 6.120 5.321 ( -1.554 3.545 -1.301) 4.084 5.398 ( -2.442 3.316 -2.113) 4.629 5.485 ( 2.930 2.781 -4.239) 5.855 5.543 ( -6.776 0.414 7.591) 10.184 5.704 ( 2.987 -0.053 2.929) 4.184 5.710 ( 0.041 -1.500 -2.665) 3.059 5.746 ( -0.923 1.769 -3.153) 3.731 5.791 ( 3.576 -4.999 5.812) 8.459 5.891 ( 3.835 0.761 -0.389) 3.929 5.969 ( -1.271 2.201 -0.291) 2.558 6.027 ( 4.000 -3.964 -5.276) 7.716 6.163 ( -1.704 -1.421 2.834) 3.599 6.240 ( 2.777 -2.422 -3.369) 4.993 6.452 ( -2.671 0.990 2.757) 3.964 6.576 ( 4.634 3.011 0.736) 5.575 6.637 ( 4.035 -1.062 1.447) 4.416 6.680 ( 2.072 3.955 -5.135) 6.805 6.884 ( -3.004 2.084 7.228) 8.100 6.980 ( -0.702 1.000 -4.617) 4.776 12.296 ( 0.267 -2.866 0.755) 2.975 12.308 ( 0.504 -2.960 -0.740) 3.092 12.560 ( -0.637 1.019 -0.091) 1.205 12.563 ( -0.069 0.463 0.257) 0.534 12.735 ( -0.070 3.052 2.420) 3.896 12.772 ( 0.520 4.154 -2.595) 4.926 13.060 ( 0.055 0.418 0.719) 0.834 13.064 ( -0.529 0.524 -0.742) 1.051 13.398 ( -1.438 -0.260 0.587) 1.575 13.412 ( -0.805 0.130 -0.220) 0.845 13.448 ( 1.380 0.589 1.786) 2.333 13.470 ( 0.796 1.976 -3.123) 3.780 13.741 ( -2.211 -1.067 5.504) 6.027 13.853 ( 2.124 -1.011 -5.996) 6.441 14.119 ( -2.054 -1.007 2.612) 3.473 14.183 ( 2.130 -1.059 -1.233) 2.679 16.936 ( 0.826 -0.834 1.136) 1.634 16.944 ( 0.074 -1.928 -1.203) 2.274 17.085 ( -0.887 -0.620 0.198) 1.100 17.107 ( 1.341 -0.767 0.135) 1.551 17.179 ( -0.933 0.980 0.587) 1.475 17.212 ( 1.500 1.678 -1.006) 2.465 17.328 ( -1.233 0.476 2.342) 2.689 17.380 ( 1.193 0.013 -2.687) 2.940 17.411 ( -1.081 0.006 0.280) 1.117 17.432 ( 1.147 -0.317 0.398) 1.254 17.577 ( -0.967 2.290 1.951) 3.160 17.620 ( 0.207 2.184 -2.437) 3.279 17.693 ( -0.555 -2.283 1.627) 2.858 17.735 ( 1.173 -0.959 -1.689) 2.269 17.828 ( -0.594 3.179 -0.416) 3.261 17.841 ( 1.780 2.722 1.005) 3.404 18.362 ( -0.832 -0.233 -0.941) 1.278 18.373 ( 0.822 -0.202 -0.301) 0.898 18.579 ( -1.130 -1.264 2.904) 3.363 18.618 ( 0.022 -1.971 -0.416) 2.014 18.711 ( -0.591 -2.350 0.814) 2.556 18.743 ( 0.526 -3.387 -1.617) 3.790 18.903 ( -1.071 -0.435 3.351) 3.545 18.960 ( -0.095 -2.330 -4.054) 4.677 27.787 ( 0.019 -0.439 -0.007) 0.440 27.788 ( 0.204 -0.467 0.004) 0.509 27.893 ( -0.221 -0.644 0.326) 0.755 27.896 ( -0.390 -0.558 -0.322) 0.753 28.300 ( -0.211 -0.200 0.053) 0.296 28.307 ( 0.436 0.116 -0.078) 0.458 28.381 ( -0.183 -0.870 0.139) 0.900 28.385 ( 0.085 -0.620 -0.123) 0.637 30.545 ( -2.055 -1.968 3.500) 4.511 30.623 ( 0.363 -3.310 -5.712) 6.612 30.779 ( -1.867 -2.322 1.112) 3.180 30.820 ( 1.495 -1.604 -0.159) 2.198 31.080 ( 0.563 -1.061 2.378) 2.664 31.109 ( 0.149 -1.792 -2.570) 3.137 31.381 ( -1.135 7.898 1.987) 8.222 31.417 ( 0.860 7.963 -1.259) 8.107 31.756 ( -2.739 -0.734 -1.624) 3.268 31.796 ( 1.926 0.704 -1.093) 2.324 31.904 ( -0.480 -3.285 3.887) 5.112 31.959 ( 0.805 -1.324 -2.957) 3.339 32.219 ( -1.608 -0.995 -0.383) 1.930 32.236 ( 0.546 -1.161 -0.556) 1.398 32.339 ( -2.616 3.222 3.853) 5.663 32.427 ( 2.525 4.868 -2.639) 6.085 32.697 ( -9.553 6.121 11.079) 15.858 32.830 ( -7.782 10.700 2.401) 13.446 32.921 ( 10.905 17.377 2.813) 20.707 33.072 ( 0.917 6.839 -11.601) 13.499 33.277 ( -9.498 -3.272 3.878) 10.768 33.524 ( 12.059 -3.100 -8.723) 15.202 33.956 ( 7.113 -0.348 5.914) 9.257 34.026 ( 7.522 -2.032 -2.860) 8.300 ======================= Grid point 75 (33/55) ======================= q-point: (-0.29 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -8.342 14.541 3.647) 17.156 0.809 ( -7.976 13.584 -4.231) 16.311 0.912 ( -4.947 3.619 -1.223) 6.251 1.139 ( -1.461 11.063 4.516) 12.038 1.212 ( 6.562 -4.169 -11.070) 13.527 1.369 ( 0.157 2.378 6.193) 6.635 1.412 ( -3.918 -1.842 6.075) 7.460 1.461 ( -0.824 1.941 -3.691) 4.251 1.469 ( 5.810 2.805 -0.353) 6.461 1.545 ( -1.732 3.112 -2.678) 4.456 1.612 ( 4.407 3.838 2.895) 6.522 1.638 ( 0.277 2.918 2.922) 4.139 1.683 ( 2.204 1.990 -2.419) 3.830 1.707 ( -0.628 0.509 -0.890) 1.202 1.854 ( -0.629 3.801 -1.232) 4.045 1.905 ( -5.644 6.460 -2.326) 8.888 1.995 ( -4.286 6.390 4.137) 8.736 2.119 ( -6.329 1.923 3.309) 7.396 2.217 ( 0.066 3.208 0.560) 3.257 2.306 ( 1.483 9.298 -3.016) 9.887 2.353 ( 2.214 0.260 -5.533) 5.965 2.516 ( 1.057 5.721 -8.538) 10.332 2.613 ( -6.101 5.528 7.451) 11.104 2.826 ( -3.427 0.002 0.112) 3.429 3.354 ( 0.083 -3.367 2.541) 4.219 3.403 ( 1.394 -0.808 1.536) 2.227 3.616 ( -4.419 -1.803 3.616) 5.988 3.668 ( -1.929 3.518 -1.842) 4.415 3.725 ( -0.866 1.423 2.934) 3.374 3.816 ( 1.184 0.041 -3.346) 3.549 3.880 ( 1.053 0.782 1.368) 1.895 3.913 ( 0.743 -0.435 2.506) 2.650 4.051 ( 2.410 -6.759 -3.295) 7.896 4.115 ( 1.316 -3.462 0.561) 3.746 4.223 ( -3.231 -5.009 -0.430) 5.977 4.245 ( -0.895 2.003 -0.499) 2.250 4.332 ( -2.826 -5.108 3.104) 6.611 4.405 ( 0.416 -0.787 -1.238) 1.524 4.496 ( 0.412 -1.616 -0.876) 1.884 4.523 ( -1.356 -0.324 -1.248) 1.871 4.580 ( -0.361 1.666 -0.752) 1.863 4.613 ( -0.376 -0.005 1.633) 1.676 4.681 ( -1.154 4.102 1.351) 4.470 4.758 ( 1.167 2.296 -0.269) 2.590 4.785 ( -0.390 3.691 -0.567) 3.755 4.821 ( 2.099 4.038 -1.035) 4.667 4.946 ( -0.274 -0.063 3.368) 3.380 5.064 ( 1.575 3.704 -3.027) 5.036 5.133 ( -0.161 2.710 -1.422) 3.065 5.155 ( 0.121 3.439 3.336) 4.793 5.248 ( 1.958 3.160 2.212) 4.326 5.261 ( -0.123 -0.891 -0.685) 1.131 5.315 ( 1.228 1.073 -0.266) 1.652 5.336 ( -0.926 3.261 -2.945) 4.490 5.415 ( 2.756 0.347 5.209) 5.903 5.475 ( -4.749 1.870 3.504) 6.191 5.522 ( 4.887 5.182 -4.425) 8.385 5.686 ( -0.390 -3.796 -2.534) 4.580 5.696 ( -0.574 -4.419 -1.263) 4.632 5.757 ( -0.754 5.406 3.431) 6.447 5.884 ( 1.339 2.145 3.020) 3.939 5.971 ( 3.966 -5.703 0.596) 6.972 6.002 ( 2.873 -2.493 -0.036) 3.805 6.068 ( 7.476 -0.218 -9.049) 11.740 6.217 ( 2.808 0.351 6.534) 7.120 6.274 ( 2.712 -1.726 -1.737) 3.654 6.446 ( 0.236 -2.792 2.695) 3.887 6.614 ( 2.711 0.488 -2.964) 4.046 6.703 ( -1.402 0.242 4.231) 4.464 6.745 ( 5.925 -1.105 -4.484) 7.512 6.896 ( -2.855 0.566 -1.730) 3.386 6.984 ( 11.315 12.151 5.060) 17.357 12.311 ( 0.797 -2.811 0.403) 2.949 12.319 ( 1.123 -2.928 -0.367) 3.157 12.542 ( -0.881 1.584 0.073) 1.814 12.565 ( -0.544 -0.694 0.645) 1.093 12.738 ( 0.210 3.467 -0.599) 3.525 12.779 ( 0.840 4.364 0.127) 4.445 13.043 ( -0.805 0.234 -0.452) 0.953 13.066 ( -0.199 0.693 0.560) 0.913 13.368 ( -1.909 -0.427 -0.260) 1.974 13.390 ( -1.405 0.732 0.574) 1.685 13.477 ( 1.520 1.282 -0.436) 2.036 13.489 ( 1.945 1.270 0.313) 2.344 13.734 ( -3.089 -0.841 4.915) 5.866 13.840 ( 1.912 -0.573 -6.106) 6.424 14.112 ( -1.040 -0.592 3.077) 3.301 14.214 ( 2.280 -1.511 -1.425) 3.084 16.943 ( 0.809 -1.990 -0.826) 2.301 16.969 ( 1.722 -0.622 0.986) 2.079 17.069 ( -0.912 -0.640 0.049) 1.115 17.126 ( 1.150 -1.226 -1.680) 2.377 17.183 ( 0.928 1.844 1.349) 2.466 17.237 ( 1.637 1.050 -0.418) 1.990 17.325 ( -0.940 0.514 2.432) 2.658 17.374 ( 0.636 -0.257 -2.946) 3.025 17.404 ( -0.093 0.235 0.510) 0.569 17.458 ( 0.776 -0.878 0.787) 1.412 17.584 ( 0.396 2.982 1.990) 3.607 17.594 ( -0.798 2.181 -1.804) 2.941 17.709 ( 0.569 -1.246 2.161) 2.559 17.740 ( 0.339 -0.366 -0.803) 0.946 17.814 ( -0.087 2.691 -0.801) 2.809 17.888 ( 2.758 1.114 -0.460) 3.009 18.349 ( -0.453 -0.193 0.682) 0.841 18.389 ( 0.802 -0.696 0.379) 1.127 18.558 ( -3.083 -3.006 -0.025) 4.306 18.611 ( -0.250 -1.165 -0.480) 1.285 18.680 ( -1.927 -3.611 -1.301) 4.295 18.758 ( 0.855 -1.683 0.936) 2.107 18.888 ( -1.587 -1.118 0.038) 1.942 18.922 ( -1.701 -0.637 -1.576) 2.405 27.789 ( 0.333 -0.340 -0.014) 0.476 27.794 ( 0.368 -0.437 -0.038) 0.572 27.881 ( -0.924 -0.647 -0.175) 1.141 27.886 ( -0.859 -0.779 0.092) 1.163 28.298 ( 0.070 -0.496 -0.034) 0.502 28.315 ( 0.335 0.235 0.026) 0.410 28.376 ( -0.120 -0.785 -0.158) 0.810 28.387 ( 0.055 -0.432 0.109) 0.449 30.514 ( -4.192 -2.041 3.218) 5.665 30.552 ( -3.067 -3.626 -5.643) 7.376 30.756 ( -1.148 -1.531 0.628) 2.014 30.854 ( 1.784 -1.985 0.311) 2.687 31.097 ( 0.674 -0.416 -1.464) 1.665 31.120 ( 1.578 -1.316 2.040) 2.895 31.374 ( -1.295 8.446 2.137) 8.808 31.426 ( 1.436 7.691 -1.860) 8.042 31.684 ( -3.486 -0.636 -1.498) 3.848 31.797 ( -0.267 0.003 -1.883) 1.901 31.926 ( -0.535 -3.298 3.063) 4.532 31.990 ( 3.291 -2.246 0.784) 4.060 32.151 ( -4.078 -0.543 -1.824) 4.500 32.235 ( -0.709 -1.060 -0.466) 1.357 32.323 ( -2.268 4.241 3.201) 5.778 32.436 ( 0.187 1.687 -3.893) 4.247 32.574 ( -7.427 6.156 4.238) 10.537 32.681 ( -4.974 12.492 -4.226) 14.094 32.960 ( -4.340 0.455 -2.432) 4.995 33.111 ( -8.887 -0.913 1.666) 9.088 33.394 ( 23.446 27.913 23.872) 43.574 33.704 ( 17.985 -1.536 -11.534) 21.421 34.170 ( 11.263 -4.234 -2.203) 12.233 34.223 ( 14.056 -2.132 0.608) 14.230 ======================= Grid point 76 (34/55) ======================= q-point: (-0.14 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -5.927 18.188 5.446) 19.890 0.632 ( -12.677 13.083 10.770) 21.163 0.835 ( 2.900 6.156 -13.926) 15.500 1.061 ( -8.631 7.565 1.788) 11.615 1.127 ( -3.657 8.589 -5.224) 10.697 1.394 ( -1.352 0.077 8.588) 8.694 1.423 ( 1.473 2.226 2.709) 3.803 1.458 ( 1.357 4.320 -2.624) 5.234 1.536 ( 2.850 2.316 -1.622) 4.015 1.614 ( 0.055 5.220 -3.448) 6.256 1.636 ( 4.632 3.728 0.821) 6.002 1.683 ( 0.061 0.778 -0.345) 0.853 1.707 ( 3.380 0.059 2.094) 3.976 1.737 ( 2.425 0.347 -1.658) 2.958 1.816 ( -0.411 5.015 -0.844) 5.102 1.847 ( -1.169 3.150 0.245) 3.368 1.960 ( -2.773 5.460 7.244) 9.486 2.095 ( 0.264 3.700 3.212) 4.907 2.194 ( -2.663 2.038 0.208) 3.360 2.285 ( -0.069 7.349 -5.836) 9.384 2.329 ( -0.427 2.838 -6.494) 7.100 2.396 ( -5.391 5.923 -5.043) 9.464 2.592 ( -3.317 5.925 7.119) 9.838 2.746 ( -3.898 0.180 -1.733) 4.269 3.378 ( 1.060 -0.650 1.021) 1.609 3.436 ( 0.142 -2.719 1.458) 3.088 3.573 ( -3.127 1.567 4.103) 5.392 3.639 ( 0.376 3.060 -1.952) 3.649 3.732 ( -1.915 -0.595 5.023) 5.408 3.815 ( 1.555 1.133 -2.554) 3.198 3.910 ( 0.477 -0.322 1.885) 1.971 3.948 ( 1.230 0.433 1.481) 1.974 4.052 ( 0.508 -7.250 -2.192) 7.591 4.120 ( -1.329 -3.457 0.593) 3.751 4.152 ( -1.764 -4.910 -3.518) 6.293 4.230 ( -0.239 -1.370 -2.897) 3.213 4.361 ( -0.557 -5.307 10.675) 11.934 4.406 ( 1.126 0.086 -0.969) 1.488 4.477 ( -1.444 1.498 -2.219) 3.042 4.499 ( 1.054 -0.210 -1.613) 1.938 4.567 ( -1.683 1.202 2.355) 3.134 4.597 ( -1.244 1.736 -0.404) 2.174 4.687 ( -0.661 2.658 1.644) 3.194 4.769 ( -0.125 5.948 -1.146) 6.059 4.794 ( 2.475 -0.293 -1.094) 2.722 4.837 ( 1.548 5.220 -1.705) 5.706 4.985 ( 0.717 -1.481 3.271) 3.661 5.069 ( 1.822 1.959 -3.149) 4.132 5.131 ( 0.074 1.471 0.525) 1.564 5.192 ( 0.324 2.920 3.816) 4.816 5.218 ( -0.598 1.251 -2.972) 3.280 5.300 ( -0.895 0.220 1.061) 1.406 5.310 ( -0.420 1.769 2.422) 3.028 5.352 ( 2.930 2.782 -2.414) 4.707 5.427 ( -1.808 0.117 2.376) 2.988 5.494 ( 1.978 0.481 1.649) 2.620 5.591 ( 5.116 3.812 -1.537) 6.563 5.655 ( -0.832 -2.238 -1.264) 2.702 5.697 ( -0.517 -6.433 1.226) 6.569 5.770 ( 0.353 1.267 0.791) 1.535 5.890 ( -2.456 6.795 3.232) 7.915 5.983 ( -0.196 1.013 -0.938) 1.394 6.081 ( 5.767 -7.559 -3.742) 10.218 6.133 ( 4.477 -1.222 -5.886) 7.495 6.299 ( 0.606 -0.193 2.258) 2.346 6.307 ( 3.481 -0.103 0.549) 3.526 6.478 ( 0.596 -4.522 1.317) 4.748 6.618 ( -7.251 -1.978 2.858) 8.041 6.717 ( 7.223 -0.951 -1.589) 7.456 6.776 ( -3.371 -2.659 0.785) 4.365 6.886 ( 7.938 -2.092 -1.013) 8.272 7.374 ( 22.501 7.823 -2.238) 23.927 12.329 ( 0.812 -2.688 0.287) 2.823 12.337 ( 1.005 -2.929 -0.244) 3.107 12.530 ( -0.689 1.012 0.510) 1.326 12.554 ( -0.765 -1.120 -0.148) 1.365 12.750 ( 1.560 3.599 -0.585) 3.966 12.789 ( 0.059 4.439 -0.071) 4.440 13.033 ( -0.232 0.268 0.521) 0.630 13.063 ( -0.384 0.775 -0.060) 0.867 13.338 ( -0.991 0.170 -0.107) 1.012 13.367 ( -1.399 0.726 -0.121) 1.581 13.511 ( 1.212 1.139 1.893) 2.520 13.526 ( 2.472 2.014 -0.800) 3.287 13.712 ( -3.432 -1.135 5.149) 6.291 13.827 ( 2.044 -0.470 -6.151) 6.499 14.130 ( -0.234 -0.465 3.969) 4.003 14.236 ( 1.531 -1.616 -2.203) 3.132 16.960 ( 1.354 -2.024 0.212) 2.444 17.004 ( 1.121 -0.756 0.298) 1.385 17.057 ( -0.590 -0.844 0.611) 1.198 17.123 ( 0.842 -0.886 -3.250) 3.472 17.229 ( 2.805 1.392 0.497) 3.171 17.258 ( 0.710 0.316 0.063) 0.780 17.340 ( 0.589 0.126 1.918) 2.011 17.363 ( 0.909 -0.323 -2.480) 2.662 17.410 ( 0.195 0.069 0.501) 0.542 17.459 ( -1.172 -1.733 0.166) 2.099 17.574 ( 0.198 2.421 -1.108) 2.670 17.619 ( 1.625 2.715 -0.421) 3.192 17.735 ( 0.237 0.377 -0.476) 0.652 17.743 ( -0.132 0.854 1.830) 2.024 17.842 ( 3.051 -0.198 4.817) 5.706 17.924 ( 2.109 -0.644 -1.461) 2.645 18.352 ( -0.507 -0.722 1.185) 1.477 18.384 ( -3.005 -2.963 -1.658) 4.534 18.468 ( -4.105 -1.701 -0.032) 4.443 18.584 ( -1.422 -1.296 -2.959) 3.530 18.665 ( 1.150 0.271 1.106) 1.618 18.781 ( 0.326 -0.963 2.026) 2.267 18.856 ( -2.783 -0.688 -2.289) 3.668 18.871 ( -1.402 -0.324 -0.410) 1.497 27.799 ( 0.742 -0.140 0.068) 0.758 27.801 ( 0.596 -0.182 -0.118) 0.635 27.861 ( -1.131 -0.828 0.018) 1.402 27.863 ( -1.535 -0.735 -0.171) 1.710 28.302 ( 0.328 -0.631 -0.042) 0.713 28.316 ( -0.224 -0.074 -0.034) 0.238 28.377 ( 0.335 -0.425 -0.057) 0.545 28.388 ( 0.033 -0.209 0.052) 0.218 30.443 ( -4.022 -1.943 -2.983) 5.371 30.455 ( -4.428 -1.608 2.317) 5.250 30.752 ( -0.212 -1.030 1.578) 1.896 30.872 ( 0.699 -2.168 -2.172) 3.148 31.112 ( 1.171 0.356 1.088) 1.638 31.166 ( 1.989 -0.721 0.678) 2.222 31.367 ( -2.278 8.711 3.899) 9.812 31.445 ( 3.691 8.205 -4.689) 10.146 31.623 ( -1.619 -0.827 -0.899) 2.028 31.763 ( -2.050 -2.055 -2.436) 3.789 31.915 ( -2.989 -2.792 1.801) 4.469 32.042 ( -0.653 0.334 -4.862) 4.917 32.085 ( 0.518 -2.160 4.728) 5.223 32.214 ( -0.819 0.282 -0.935) 1.275 32.305 ( -1.692 4.452 1.485) 4.989 32.356 ( -4.443 2.566 -1.240) 5.279 32.540 ( -0.697 8.317 2.345) 8.669 32.608 ( -0.148 10.851 -3.805) 11.499 32.870 ( -4.040 0.257 1.421) 4.290 32.981 ( -5.701 -1.039 -0.197) 5.798 33.965 ( 20.488 -1.573 -6.860) 21.663 34.175 ( 32.121 13.019 17.112) 38.653 34.323 ( 8.020 -4.979 -1.660) 9.585 34.460 ( 12.723 -2.260 0.381) 12.928 ======================= Grid point 77 (35/55) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -7.655 16.869 9.320) 20.737 0.917 ( -0.576 20.796 -0.460) 20.809 1.009 ( 3.175 12.905 -9.505) 16.339 1.066 ( 9.674 10.755 -14.166) 20.247 1.423 ( -2.129 4.454 6.828) 8.425 1.477 ( 0.085 3.368 1.949) 3.892 1.537 ( 1.802 3.822 3.848) 5.715 1.591 ( -1.062 0.626 -0.023) 1.233 1.603 ( 0.520 6.267 1.798) 6.541 1.614 ( -2.771 1.571 -0.233) 3.194 1.673 ( -1.000 2.742 -0.561) 2.972 1.694 ( 0.624 2.679 -0.986) 2.922 1.796 ( 0.950 1.941 -0.074) 2.162 1.813 ( -0.695 1.191 -1.032) 1.722 1.946 ( 5.467 3.926 0.166) 6.732 1.947 ( -7.235 8.397 2.066) 11.275 2.086 ( 0.430 4.599 4.930) 6.756 2.188 ( -3.393 4.440 3.481) 6.584 2.244 ( 3.563 2.020 5.773) 7.078 2.340 ( 1.287 8.696 -3.713) 9.543 2.410 ( -2.760 6.627 -6.273) 9.533 2.434 ( 1.913 3.409 -7.274) 8.258 2.714 ( -0.555 4.602 3.790) 5.987 2.770 ( 0.565 5.093 -1.290) 5.284 3.298 ( -1.494 -6.826 1.302) 7.108 3.313 ( 1.802 -8.716 -0.036) 8.900 3.625 ( -4.092 -4.568 3.516) 7.069 3.647 ( 2.488 -1.964 2.446) 4.004 3.772 ( -1.260 1.418 0.456) 1.951 3.813 ( 0.072 -3.459 -1.346) 3.712 3.841 ( 0.719 -0.224 -1.219) 1.432 3.918 ( 3.836 -5.190 -6.534) 9.184 4.032 ( -1.180 3.713 5.860) 7.037 4.133 ( -1.721 8.716 2.706) 9.287 4.148 ( 1.350 3.587 -4.512) 5.920 4.217 ( 1.945 6.054 -3.743) 7.379 4.387 ( -1.754 1.693 5.783) 6.276 4.423 ( -1.257 1.425 4.647) 5.021 4.472 ( 1.019 0.765 -1.961) 2.339 4.537 ( 1.383 0.654 -4.153) 4.426 4.605 ( -0.459 3.860 1.667) 4.230 4.637 ( -1.569 3.570 -0.713) 3.964 4.723 ( -1.505 -1.833 2.368) 3.352 4.763 ( 1.303 -5.087 -1.143) 5.374 4.901 ( -0.255 5.874 0.975) 5.960 4.935 ( -1.056 4.227 -1.626) 4.650 4.972 ( -0.531 -0.545 1.981) 2.122 5.042 ( 0.728 -1.612 -4.344) 4.690 5.089 ( -1.241 -1.001 4.699) 4.963 5.146 ( 0.998 -2.008 -0.439) 2.285 5.283 ( 0.274 -1.380 -0.592) 1.526 5.323 ( 0.489 -3.373 -3.438) 4.841 5.377 ( -0.372 2.398 1.541) 2.875 5.409 ( 2.216 1.771 -1.070) 3.032 5.494 ( -0.427 -1.208 7.594) 7.701 5.536 ( -0.637 1.873 1.516) 2.492 5.541 ( -0.565 2.520 1.220) 2.856 5.637 ( -1.944 -0.476 0.324) 2.027 5.681 ( 0.089 -1.267 -1.649) 2.081 5.703 ( 0.997 -0.856 -8.161) 8.266 5.926 ( -1.684 -3.334 -0.696) 3.800 5.957 ( 3.393 -6.412 -2.769) 7.764 6.062 ( -0.980 4.788 2.627) 5.549 6.131 ( 1.509 3.311 -4.601) 5.866 6.317 ( -0.028 -0.502 1.565) 1.644 6.343 ( 0.050 -1.058 -0.664) 1.250 6.424 ( -0.781 -4.486 5.438) 7.092 6.497 ( 0.943 -0.541 -2.160) 2.418 6.689 ( -3.567 -0.690 1.898) 4.099 6.738 ( 3.699 -2.266 -2.886) 5.210 7.034 ( 3.449 -3.275 12.918) 13.765 7.313 ( -5.230 -8.637 -13.629) 16.962 12.278 ( -0.427 -3.110 0.214) 3.146 12.282 ( 0.437 -3.155 -0.226) 3.193 12.533 ( -0.434 0.335 0.530) 0.763 12.548 ( 0.388 1.188 -0.921) 1.552 12.819 ( -1.111 2.668 2.354) 3.727 12.874 ( 1.535 3.293 -2.991) 4.706 13.041 ( 0.055 -0.415 1.707) 1.757 13.066 ( -0.259 0.078 -0.765) 0.811 13.356 ( 0.314 1.302 0.418) 1.403 13.371 ( -0.166 1.759 -1.107) 2.085 13.535 ( -1.032 -0.852 2.788) 3.093 13.575 ( 1.480 -1.519 -1.183) 2.429 13.723 ( -2.436 4.343 3.948) 6.354 13.827 ( 2.189 1.962 -5.780) 6.485 14.134 ( -0.960 -1.314 3.713) 4.054 14.196 ( 0.584 -2.111 -2.348) 3.211 16.951 ( -0.061 -0.484 2.036) 2.094 16.993 ( -0.097 0.056 -1.619) 1.623 17.067 ( 0.127 1.081 0.976) 1.462 17.110 ( 0.460 0.872 -3.543) 3.678 17.256 ( -0.542 -0.447 0.499) 0.861 17.268 ( 0.864 -0.560 -0.682) 1.235 17.343 ( -1.953 0.021 1.195) 2.290 17.368 ( 1.375 -0.031 -1.288) 1.884 17.415 ( 0.378 -0.236 0.365) 0.576 17.419 ( -0.230 -0.071 -0.094) 0.258 17.623 ( 0.824 0.995 0.302) 1.326 17.636 ( -0.828 0.620 -1.195) 1.580 17.737 ( -2.991 -0.011 2.106) 3.658 17.764 ( 1.718 1.470 -0.880) 2.427 17.870 ( 0.286 -0.874 1.552) 1.804 17.896 ( 0.169 -2.692 -0.862) 2.832 18.330 ( 1.080 0.332 0.266) 1.161 18.335 ( -0.848 0.195 -0.203) 0.894 18.455 ( 0.150 -0.642 2.376) 2.466 18.511 ( -0.226 -1.640 -2.981) 3.410 18.724 ( -0.284 -0.264 2.090) 2.126 18.767 ( -0.066 -1.688 -1.368) 2.174 18.771 ( 0.583 -2.077 1.641) 2.710 18.812 ( -0.133 -2.519 -1.712) 3.049 27.810 ( -0.093 -0.061 0.040) 0.118 27.811 ( 0.097 -0.035 -0.053) 0.116 27.826 ( -0.022 -0.904 0.032) 0.905 27.827 ( 0.022 -0.909 -0.028) 0.910 28.300 ( 0.131 -0.131 0.073) 0.199 28.302 ( -0.132 -0.180 -0.082) 0.238 28.376 ( 0.118 -0.536 0.102) 0.559 28.379 ( -0.116 -0.608 -0.122) 0.631 30.395 ( -0.327 -0.068 0.306) 0.453 30.399 ( 0.568 -0.097 -0.102) 0.585 30.729 ( 0.203 -3.254 2.436) 4.070 30.784 ( -0.311 -4.257 -2.746) 5.075 31.150 ( 0.303 0.305 1.650) 1.706 31.181 ( 0.095 -0.361 -1.214) 1.271 31.500 ( -2.394 4.337 2.622) 5.605 31.543 ( 2.139 -0.707 -1.245) 2.574 31.666 ( -2.678 2.819 -0.527) 3.923 31.688 ( 3.588 3.996 -2.182) 5.796 31.907 ( -0.174 0.763 2.016) 2.163 31.973 ( -0.175 -1.834 -3.834) 4.253 32.136 ( 0.587 0.126 4.294) 4.335 32.193 ( -1.213 0.933 -1.262) 1.984 32.369 ( 0.219 1.333 1.094) 1.738 32.375 ( -0.155 1.746 1.033) 2.035 32.714 ( -0.060 6.469 0.938) 6.537 32.772 ( 0.358 5.548 -4.313) 7.036 32.908 ( -4.021 3.896 1.976) 5.938 32.926 ( 3.748 5.125 0.244) 6.354 34.131 ( 2.516 -2.539 3.255) 4.835 34.217 ( -2.819 -3.445 -5.100) 6.769 34.447 ( 5.502 -3.605 4.916) 8.212 34.551 ( -6.288 -2.238 -5.253) 8.494 ======================= Grid point 78 (36/55) ======================= q-point: ( 0.14 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.772 15.795 7.294) 17.415 0.939 ( 2.557 15.778 0.959) 16.013 1.006 ( 3.910 14.819 -6.648) 16.706 1.152 ( 10.083 11.437 -12.521) 19.730 1.437 ( -2.866 2.612 2.651) 4.697 1.458 ( -5.118 3.144 5.108) 7.885 1.510 ( -3.397 2.299 -1.794) 4.477 1.571 ( -0.012 1.286 -2.650) 2.946 1.603 ( -0.810 5.607 2.392) 6.149 1.631 ( 2.000 1.114 1.663) 2.830 1.667 ( 1.229 3.998 1.463) 4.432 1.712 ( -0.057 1.615 -1.037) 1.920 1.733 ( -5.607 2.915 -0.421) 6.333 1.787 ( -1.214 1.576 -2.549) 3.234 1.873 ( -0.947 5.417 2.438) 6.015 2.005 ( -4.923 2.217 -0.012) 5.399 2.049 ( -0.331 3.542 6.365) 7.292 2.254 ( 4.152 8.426 1.375) 9.494 2.327 ( 2.703 6.235 5.123) 8.510 2.338 ( 0.995 7.114 -6.124) 9.439 2.408 ( 5.754 5.204 -1.876) 7.981 2.465 ( 5.766 5.821 -3.641) 8.966 2.739 ( 0.008 4.640 3.029) 5.541 2.791 ( 3.598 3.979 -2.310) 5.841 3.274 ( -1.299 -6.979 0.621) 7.126 3.345 ( 1.218 -7.425 -0.367) 7.533 3.569 ( -3.422 -5.093 2.562) 6.649 3.710 ( 0.255 -6.055 2.989) 6.758 3.753 ( -1.009 0.131 1.009) 1.433 3.792 ( -0.212 3.601 -2.084) 4.166 3.857 ( 2.349 -3.831 -2.321) 5.058 3.933 ( 2.723 -3.750 -5.462) 7.163 4.038 ( -2.360 4.772 3.346) 6.288 4.134 ( -0.823 7.695 4.389) 8.897 4.153 ( 3.553 2.532 -5.957) 7.383 4.247 ( 3.800 6.329 -2.946) 7.949 4.391 ( -2.256 0.183 5.391) 5.847 4.434 ( -1.378 2.201 3.543) 4.393 4.477 ( -0.005 -0.768 -1.291) 1.503 4.495 ( -0.878 0.585 -5.333) 5.436 4.582 ( -2.416 3.162 1.977) 4.443 4.651 ( 1.573 3.328 1.498) 3.974 4.674 ( -1.574 -2.709 0.239) 3.142 4.837 ( 3.819 -1.419 -0.161) 4.077 4.889 ( -1.602 4.552 0.642) 4.869 4.910 ( -1.430 3.377 0.483) 3.699 4.959 ( -2.433 0.250 2.422) 3.442 5.023 ( 0.416 0.847 -2.401) 2.580 5.110 ( 0.467 -0.172 2.710) 2.756 5.179 ( 2.179 -2.721 -0.301) 3.499 5.283 ( -0.855 -0.763 0.068) 1.148 5.301 ( 0.528 -4.810 -2.798) 5.590 5.371 ( -0.736 4.244 -0.239) 4.314 5.424 ( 0.521 2.336 -1.771) 2.977 5.483 ( -4.210 0.529 -0.627) 4.289 5.527 ( -1.469 -5.493 3.647) 6.755 5.573 ( 0.277 2.348 5.337) 5.837 5.583 ( -3.088 -1.886 -0.075) 3.619 5.645 ( -1.690 -0.772 -0.135) 1.863 5.669 ( -0.160 0.717 -4.625) 4.683 5.884 ( -1.969 -4.278 -1.334) 4.895 5.959 ( -1.531 -6.132 -1.633) 6.527 6.041 ( -2.327 5.892 0.966) 6.408 6.142 ( 2.358 4.096 -1.921) 5.102 6.291 ( -0.848 -0.619 -1.863) 2.138 6.352 ( 0.410 -0.489 -0.000) 0.638 6.434 ( -0.873 -2.264 2.931) 3.805 6.574 ( 5.731 -2.581 -0.282) 6.292 6.657 ( -0.303 -1.104 -0.625) 1.305 6.790 ( 3.283 -1.564 -0.604) 3.687 6.958 ( -15.359 1.299 -5.364) 16.320 7.188 ( -3.393 -4.574 7.736) 9.606 12.261 ( -1.308 -3.115 0.151) 3.382 12.280 ( -0.549 -3.141 -0.162) 3.193 12.538 ( 0.432 0.453 0.609) 0.873 12.559 ( 1.361 1.087 -0.609) 1.845 12.806 ( -1.719 3.331 1.412) 4.005 12.884 ( 1.506 3.073 -2.178) 4.056 13.050 ( -0.314 -0.371 -0.253) 0.548 13.064 ( 0.668 0.171 0.724) 1.000 13.353 ( 0.012 0.989 -0.405) 1.068 13.383 ( 1.295 1.451 0.176) 1.953 13.515 ( -2.608 -0.268 1.150) 2.863 13.584 ( 0.623 -2.032 -1.891) 2.845 13.714 ( -2.435 4.475 5.188) 7.271 13.826 ( 2.449 1.771 -5.068) 5.900 14.137 ( -1.876 -1.732 3.646) 4.451 14.180 ( -0.044 -1.509 -2.586) 2.994 16.957 ( -1.059 -0.541 1.613) 2.004 16.966 ( -1.270 0.091 -1.280) 1.805 17.073 ( 0.128 1.121 -0.036) 1.129 17.096 ( 0.240 1.071 -1.434) 1.805 17.241 ( -1.351 -0.026 0.363) 1.399 17.277 ( 0.249 0.166 -0.895) 0.944 17.304 ( -2.138 -0.206 1.785) 2.793 17.369 ( -0.101 0.067 -0.862) 0.871 17.421 ( 0.369 0.175 -0.453) 0.610 17.438 ( 1.225 -0.526 0.372) 1.384 17.609 ( -0.716 1.530 -0.342) 1.724 17.637 ( -0.318 1.212 0.655) 1.414 17.709 ( -1.355 -0.566 1.703) 2.249 17.790 ( 1.241 1.880 0.241) 2.265 17.871 ( -1.378 -2.051 -1.164) 2.731 17.889 ( 0.108 -0.898 0.162) 0.919 18.331 ( 1.007 -0.013 0.088) 1.011 18.358 ( 1.277 -0.602 -0.253) 1.434 18.484 ( 0.716 -1.377 0.284) 1.577 18.500 ( 1.345 -1.182 -0.391) 1.833 18.680 ( -2.569 -0.329 0.221) 2.599 18.768 ( -1.304 -2.734 0.614) 3.090 18.809 ( 1.295 -1.695 -0.995) 2.354 18.833 ( 3.891 -2.619 0.110) 4.692 27.795 ( -0.912 -0.141 0.027) 0.923 27.799 ( -0.779 -0.179 -0.032) 0.800 27.843 ( 1.131 -0.928 -0.014) 1.463 27.847 ( 1.453 -0.822 0.012) 1.670 28.293 ( -0.303 -0.187 -0.017) 0.356 28.313 ( 0.632 -0.023 0.018) 0.633 28.367 ( -0.688 -0.657 -0.033) 0.952 28.381 ( 0.008 -0.482 0.028) 0.483 30.402 ( 1.543 -0.144 0.063) 1.551 30.447 ( 3.865 -1.622 -0.538) 4.226 30.746 ( -0.639 -3.800 0.541) 3.891 30.761 ( 0.149 -3.619 -0.336) 3.638 31.145 ( -2.300 -0.297 -1.044) 2.543 31.152 ( -1.413 -0.195 0.702) 1.590 31.489 ( -0.335 3.630 1.486) 3.937 31.573 ( -0.171 2.622 -0.251) 2.639 31.631 ( 1.503 0.677 -0.537) 1.733 31.748 ( 3.894 3.357 -2.029) 5.527 31.904 ( -1.502 -0.387 0.732) 1.715 31.979 ( 2.764 -1.238 -1.364) 3.321 32.126 ( -1.947 0.542 1.695) 2.637 32.222 ( 2.212 1.189 0.320) 2.531 32.330 ( -1.284 -0.093 0.128) 1.294 32.452 ( 4.225 3.166 0.253) 5.285 32.730 ( 0.346 8.130 3.469) 8.846 32.777 ( 3.637 5.203 -4.169) 7.595 32.881 ( 0.387 0.789 0.922) 1.274 33.029 ( 7.218 5.631 -0.263) 9.159 33.978 ( -19.215 6.182 -4.232) 20.624 34.124 ( -7.023 -2.990 4.757) 8.994 34.299 ( -12.466 -2.353 -1.806) 12.814 34.457 ( -9.592 -0.917 2.753) 10.021 ======================= Grid point 79 (37/55) ======================= q-point: ( 0.29 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 5.209 10.350 5.711) 12.918 1.010 ( 4.351 10.045 -0.416) 10.955 1.042 ( 4.346 15.518 -3.362) 16.462 1.207 ( 4.140 8.693 -6.895) 11.843 1.312 ( -7.675 3.307 0.935) 8.410 1.436 ( -3.144 3.030 2.684) 5.125 1.441 ( -3.059 3.175 -1.400) 4.626 1.494 ( -7.416 0.025 -1.330) 7.534 1.585 ( -0.778 6.715 -2.048) 7.063 1.625 ( -0.641 -0.686 -2.258) 2.445 1.681 ( -0.624 -0.331 -2.708) 2.799 1.704 ( 1.382 2.293 1.541) 3.089 1.736 ( 0.121 1.298 1.371) 1.892 1.760 ( -0.104 7.621 0.763) 7.660 1.915 ( 2.291 4.354 1.103) 5.042 1.954 ( 2.241 3.554 1.294) 4.396 2.085 ( -2.736 -0.211 9.904) 10.277 2.326 ( 5.132 4.910 -7.852) 10.588 2.351 ( 3.904 12.334 1.481) 13.021 2.420 ( 2.987 8.060 3.610) 9.323 2.481 ( 3.821 6.839 -3.686) 8.658 2.524 ( 1.550 7.783 -0.381) 7.945 2.765 ( 1.118 3.929 2.144) 4.614 2.857 ( 4.670 2.604 -2.103) 5.745 3.266 ( -0.362 -5.450 0.860) 5.529 3.347 ( -0.373 -6.663 -0.848) 6.727 3.548 ( -0.786 -7.362 1.548) 7.564 3.689 ( -3.266 -7.165 0.692) 7.904 3.757 ( -0.438 -2.206 3.641) 4.280 3.795 ( 1.896 5.827 -1.968) 6.436 3.873 ( 1.442 -0.524 -3.598) 3.912 3.936 ( 2.824 -5.755 -5.800) 8.645 4.016 ( -2.347 5.767 2.970) 6.898 4.142 ( 0.051 9.296 -1.526) 9.421 4.185 ( 2.297 -0.469 -0.078) 2.346 4.298 ( 3.881 5.183 -2.686) 7.010 4.370 ( -2.520 -2.054 1.633) 3.639 4.432 ( -0.941 2.848 -2.264) 3.758 4.439 ( -0.991 1.746 3.044) 3.647 4.484 ( -0.095 -1.229 0.024) 1.233 4.567 ( -1.121 1.828 2.671) 3.425 4.662 ( 0.828 0.153 -1.389) 1.624 4.710 ( 1.576 0.797 3.656) 4.061 4.850 ( -0.491 2.179 -2.500) 3.352 4.863 ( -1.578 5.803 -0.156) 6.016 4.888 ( -1.204 2.181 0.190) 2.499 4.955 ( -1.002 -1.349 4.533) 4.835 5.018 ( 0.076 1.661 0.329) 1.695 5.141 ( 1.152 0.550 0.274) 1.305 5.204 ( -0.426 -2.762 1.502) 3.173 5.264 ( 0.262 -4.263 -0.709) 4.330 5.299 ( 0.691 -1.586 -1.885) 2.558 5.342 ( -1.823 3.669 0.277) 4.107 5.396 ( -1.581 2.111 -2.696) 3.772 5.429 ( -1.600 -0.815 0.942) 2.028 5.494 ( -4.550 -1.243 -1.519) 4.956 5.524 ( 0.062 -6.211 -1.290) 6.344 5.579 ( -2.426 3.063 1.998) 4.388 5.622 ( -0.465 -5.953 0.711) 6.014 5.702 ( 1.300 0.650 5.203) 5.403 5.829 ( -2.008 -4.804 -2.305) 5.694 5.899 ( -3.301 -2.428 -0.459) 4.124 6.013 ( -0.883 6.793 -0.309) 6.857 6.160 ( 1.204 3.868 -2.608) 4.818 6.255 ( -1.450 1.364 -3.295) 3.849 6.362 ( 0.851 1.980 -0.367) 2.186 6.444 ( -0.420 -3.017 2.923) 4.222 6.565 ( -3.487 0.331 -8.232) 8.946 6.687 ( 0.866 -3.742 -1.901) 4.285 6.741 ( -3.826 6.480 7.909) 10.917 6.832 ( 0.527 -1.721 0.607) 1.900 7.134 ( -6.493 0.097 3.601) 7.426 12.239 ( -1.198 -3.121 0.314) 3.358 12.264 ( -0.837 -3.167 -0.352) 3.295 12.553 ( 0.557 0.640 0.718) 1.111 12.581 ( 1.433 0.872 -0.657) 1.801 12.790 ( -1.188 3.835 1.486) 4.281 12.886 ( 0.533 3.371 -2.155) 4.037 13.044 ( 0.017 -0.256 -0.163) 0.304 13.084 ( 0.754 0.403 0.363) 0.929 13.360 ( 1.088 0.176 -0.086) 1.105 13.409 ( 1.250 0.894 0.248) 1.557 13.472 ( -2.732 0.201 0.906) 2.885 13.566 ( -0.173 -1.025 -3.364) 3.521 13.718 ( -2.212 3.523 6.110) 7.391 13.833 ( 2.551 1.024 -4.657) 5.408 14.126 ( -2.338 -1.841 3.378) 4.502 14.159 ( 0.101 -0.885 -2.458) 2.614 16.927 ( -1.127 0.182 -1.181) 1.643 16.949 ( -1.501 -0.773 1.242) 2.096 17.077 ( 0.851 1.208 -0.867) 1.713 17.093 ( -0.403 0.822 0.817) 1.227 17.218 ( -1.345 1.059 0.802) 1.890 17.260 ( -0.617 0.395 -1.261) 1.458 17.308 ( 0.050 -0.802 2.102) 2.250 17.363 ( 0.360 -0.082 -1.162) 1.219 17.422 ( 0.189 0.399 -0.525) 0.686 17.450 ( -0.285 -0.264 0.242) 0.458 17.610 ( 0.465 2.099 0.864) 2.317 17.631 ( -0.478 0.659 0.674) 1.057 17.704 ( -0.677 -0.555 0.822) 1.201 17.796 ( -1.079 0.567 -4.375) 4.541 17.825 ( -0.780 0.709 1.937) 2.205 17.897 ( 0.164 0.726 0.404) 0.847 18.359 ( 1.121 -0.772 -0.357) 1.407 18.371 ( 0.675 -0.888 -0.007) 1.115 18.491 ( 1.204 -1.470 -0.661) 2.012 18.538 ( 1.060 -2.132 2.107) 3.179 18.654 ( -0.171 -0.903 -0.653) 1.128 18.739 ( -1.647 -2.821 -0.576) 3.317 18.830 ( 1.296 -1.603 0.390) 2.098 18.891 ( 2.370 -3.410 -0.322) 4.165 27.782 ( -0.493 -0.179 0.047) 0.526 27.788 ( -0.398 -0.145 -0.044) 0.426 27.861 ( 0.811 -0.991 0.088) 1.283 27.870 ( 1.094 -0.999 -0.083) 1.484 28.291 ( 0.113 -0.158 0.000) 0.194 28.319 ( -0.124 0.184 -0.011) 0.223 28.358 ( -0.128 -0.767 0.033) 0.778 28.379 ( -0.218 -0.486 -0.027) 0.533 30.445 ( 2.375 -1.211 1.046) 2.864 30.512 ( 4.024 -2.896 -1.804) 5.275 30.730 ( -0.208 -3.586 -0.893) 3.701 30.768 ( -0.637 -4.019 1.387) 4.299 31.091 ( -2.492 -0.051 -0.317) 2.513 31.125 ( -1.487 -0.689 -0.518) 1.719 31.504 ( 0.635 4.032 0.901) 4.180 31.553 ( -0.889 4.645 0.043) 4.730 31.682 ( 3.390 -1.167 -0.344) 3.602 31.792 ( 2.173 1.871 -1.052) 3.054 31.882 ( -1.610 -0.428 0.943) 1.914 31.998 ( 1.337 -2.442 -4.117) 4.970 32.131 ( 0.098 1.583 2.709) 3.139 32.247 ( 1.094 1.237 0.342) 1.687 32.343 ( 0.944 -0.475 2.453) 2.671 32.500 ( 2.230 2.457 -3.617) 4.909 32.804 ( 4.139 10.519 4.150) 12.042 32.836 ( 6.238 6.786 -1.370) 9.318 32.935 ( 3.880 -1.310 0.831) 4.178 33.172 ( 9.353 3.345 -2.242) 10.183 33.566 ( -21.771 10.182 2.214) 24.137 33.998 ( -11.392 -0.043 5.656) 12.719 34.052 ( -14.385 3.145 -4.382) 15.363 34.210 ( -13.702 1.858 -1.518) 13.911 ======================= Grid point 80 (38/55) ======================= q-point: ( 0.43 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.273 7.625 2.633) 8.167 1.067 ( 6.653 7.376 -2.223) 10.179 1.086 ( 0.480 11.677 1.112) 11.740 1.181 ( 1.814 7.462 0.017) 7.679 1.286 ( 1.758 3.382 -3.155) 4.947 1.311 ( -5.516 1.397 -0.149) 5.692 1.390 ( -2.363 2.404 -0.031) 3.370 1.445 ( -0.931 5.410 4.509) 7.104 1.528 ( -1.732 -2.251 -8.050) 8.536 1.595 ( -1.142 3.295 -1.169) 3.678 1.637 ( -0.181 2.605 -2.832) 3.852 1.706 ( -0.028 3.616 -2.688) 4.506 1.744 ( -0.690 4.948 1.480) 5.210 1.765 ( -0.047 3.927 1.753) 4.301 1.990 ( 2.776 3.828 2.025) 5.144 2.034 ( 1.659 1.366 4.214) 4.730 2.126 ( -0.115 0.390 7.593) 7.604 2.355 ( 3.470 6.179 -5.249) 8.819 2.403 ( -2.687 8.690 4.776) 10.273 2.447 ( -6.775 8.792 6.069) 12.650 2.512 ( 7.601 8.753 -6.800) 13.440 2.546 ( 5.088 9.868 -6.634) 12.933 2.813 ( 1.164 2.912 2.722) 4.153 2.893 ( 0.904 3.388 -1.942) 4.009 3.265 ( -1.541 -2.949 2.650) 4.254 3.327 ( -0.071 -7.017 -2.324) 7.392 3.559 ( -0.383 -7.947 2.824) 8.443 3.636 ( -1.814 -7.759 -0.659) 7.995 3.781 ( -0.735 -3.432 3.916) 5.259 3.821 ( 2.427 4.493 -1.767) 5.404 3.853 ( 0.025 2.032 -3.702) 4.223 3.936 ( 2.824 -5.379 -7.429) 9.597 4.010 ( -1.772 5.684 4.488) 7.456 4.122 ( 0.875 7.436 -4.650) 8.814 4.219 ( -0.104 1.645 3.340) 3.725 4.315 ( 0.836 1.874 -2.397) 3.156 4.376 ( 0.475 0.404 0.798) 1.013 4.407 ( 0.357 4.164 -1.328) 4.385 4.438 ( -1.713 0.502 3.011) 3.501 4.479 ( -0.064 -1.772 -0.763) 1.930 4.583 ( -0.033 1.015 3.077) 3.240 4.656 ( -0.023 0.538 -2.261) 2.325 4.765 ( 1.405 -0.202 3.318) 3.609 4.824 ( -0.081 1.145 -1.317) 1.747 4.839 ( -1.470 5.149 0.672) 5.396 4.869 ( -0.200 4.432 -1.532) 4.694 4.972 ( -1.721 -0.618 5.399) 5.701 5.032 ( 1.306 1.030 0.202) 1.675 5.153 ( -0.351 -0.711 -0.052) 0.795 5.188 ( -1.151 -4.867 0.968) 5.095 5.261 ( -1.010 4.062 0.636) 4.234 5.299 ( 0.927 -3.371 -1.878) 3.969 5.330 ( 0.209 5.742 -1.840) 6.033 5.372 ( -1.514 -4.824 -0.203) 5.060 5.385 ( 0.481 -4.449 0.063) 4.476 5.464 ( 0.858 -1.458 -1.101) 2.019 5.510 ( -2.519 -1.452 1.223) 3.154 5.532 ( -0.892 -5.957 -1.186) 6.139 5.640 ( -2.634 -1.338 6.809) 7.423 5.737 ( 2.195 1.661 1.060) 2.950 5.794 ( 0.324 -6.374 -4.738) 7.949 5.846 ( -2.358 -0.352 -0.977) 2.577 6.020 ( 2.087 9.840 0.598) 10.077 6.148 ( 0.908 4.266 -4.394) 6.192 6.201 ( -2.954 3.154 0.765) 4.389 6.325 ( -1.843 4.390 -7.514) 8.895 6.469 ( -2.014 -0.847 6.990) 7.323 6.503 ( 3.742 -1.074 -2.470) 4.611 6.668 ( -1.186 1.039 0.376) 1.621 6.735 ( -2.853 1.203 -0.237) 3.105 6.866 ( 0.376 -0.054 7.478) 7.488 7.063 ( -1.571 1.683 -3.049) 3.820 12.227 ( -0.468 -3.124 0.606) 3.217 12.248 ( -0.369 -3.207 -0.672) 3.298 12.566 ( 0.103 0.818 0.916) 1.232 12.594 ( 0.659 0.873 -1.121) 1.566 12.791 ( -0.469 3.876 2.542) 4.659 12.872 ( 0.257 3.750 -2.863) 4.725 13.051 ( 0.417 -0.176 0.842) 0.956 13.090 ( -0.068 0.474 -0.717) 0.862 13.387 ( 1.560 -0.420 0.272) 1.638 13.419 ( -0.667 -0.049 -0.538) 0.858 13.446 ( -0.835 0.976 2.247) 2.588 13.532 ( -0.115 -0.015 -4.022) 4.024 13.729 ( -1.920 2.465 5.991) 6.757 13.841 ( 2.419 0.402 -4.853) 5.438 14.109 ( -2.244 -1.503 3.099) 4.111 14.150 ( 0.873 -0.769 -2.056) 2.362 16.911 ( 0.048 0.046 -0.203) 0.213 16.929 ( -1.156 -0.778 0.038) 1.394 17.089 ( 0.578 0.945 -0.007) 1.108 17.093 ( -0.066 0.665 0.602) 0.900 17.208 ( -0.810 1.329 1.184) 1.956 17.241 ( 0.001 0.766 -1.641) 1.811 17.324 ( -0.294 -0.764 2.062) 2.218 17.364 ( 0.967 -0.705 -1.500) 1.919 17.422 ( 0.312 0.530 -0.319) 0.693 17.435 ( -1.193 0.285 -0.010) 1.227 17.627 ( 0.012 2.655 1.439) 3.020 17.639 ( 0.666 -0.218 0.828) 1.085 17.691 ( -1.157 0.192 0.009) 1.173 17.734 ( -0.564 0.294 -4.202) 4.250 17.848 ( 0.534 1.576 2.426) 2.942 17.897 ( -0.231 1.432 -0.345) 1.491 18.364 ( 0.506 -0.088 -0.918) 1.051 18.374 ( -0.291 -0.736 -0.703) 1.059 18.520 ( 0.974 -2.317 2.057) 3.247 18.561 ( 0.055 -2.890 1.149) 3.111 18.659 ( 1.085 -1.488 -0.682) 1.964 18.703 ( -1.488 -2.711 -1.128) 3.292 18.859 ( 0.884 -1.786 1.441) 2.459 18.911 ( 0.578 -3.686 -1.255) 3.936 27.777 ( -0.120 -0.193 0.133) 0.264 27.782 ( -0.139 -0.157 -0.124) 0.244 27.873 ( 0.312 -1.022 0.280) 1.104 27.883 ( 0.369 -1.066 -0.277) 1.161 28.297 ( 0.465 -0.044 0.067) 0.472 28.310 ( -0.644 0.076 -0.096) 0.656 28.362 ( 0.319 -0.624 0.173) 0.722 28.374 ( -0.276 -0.603 -0.155) 0.681 30.489 ( 0.797 -1.986 2.065) 2.974 30.554 ( 2.430 -3.514 -2.863) 5.143 30.727 ( -0.201 -3.719 0.775) 3.804 30.757 ( -0.675 -3.991 -0.297) 4.058 31.061 ( -0.976 -0.060 0.717) 1.213 31.098 ( -0.598 -0.832 -1.408) 1.741 31.520 ( 0.409 4.851 0.755) 4.926 31.544 ( -0.273 4.108 -0.239) 4.124 31.738 ( 2.541 -1.312 0.676) 2.938 31.798 ( -1.155 -0.080 -0.246) 1.183 31.871 ( 0.104 1.344 0.690) 1.515 31.971 ( 0.457 -1.341 -6.168) 6.328 32.159 ( -0.198 -0.152 4.737) 4.744 32.271 ( 1.159 1.339 -0.998) 2.033 32.377 ( -0.328 0.261 4.094) 4.115 32.493 ( 1.374 0.977 -4.851) 5.136 32.897 ( 5.753 6.208 -3.239) 9.062 32.942 ( -1.400 0.614 -1.742) 2.318 33.047 ( 8.302 15.220 11.916) 21.037 33.293 ( -5.909 3.624 4.569) 8.302 33.319 ( 2.921 -2.167 -1.608) 3.977 33.664 ( -14.993 16.188 -11.968) 25.101 33.916 ( -3.990 1.812 5.300) 6.877 34.020 ( -6.072 0.814 -1.036) 6.214 ======================= Grid point 81 (39/55) ======================= q-point: (-0.43 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -4.682 8.882 1.932) 10.224 1.109 ( -3.440 12.206 2.621) 12.950 1.141 ( 3.235 7.434 -3.441) 8.808 1.214 ( 2.744 8.418 -5.268) 10.303 1.240 ( 0.316 2.851 2.477) 3.790 1.357 ( 2.742 -1.577 -0.814) 3.266 1.402 ( -1.408 0.948 -3.580) 3.962 1.407 ( 4.460 2.833 0.982) 5.374 1.526 ( 2.958 -0.012 3.671) 4.714 1.560 ( 1.031 3.091 -5.391) 6.299 1.642 ( 0.390 4.992 1.509) 5.229 1.677 ( 0.291 2.907 -3.592) 4.630 1.753 ( -0.942 5.467 1.428) 5.728 1.773 ( 1.137 5.771 0.255) 5.888 1.985 ( -5.264 1.820 2.001) 5.918 2.066 ( 0.203 3.050 0.368) 3.079 2.169 ( -3.166 1.611 7.122) 7.959 2.328 ( -7.231 11.608 7.351) 15.526 2.366 ( -1.553 3.819 -1.898) 4.539 2.375 ( -2.801 7.087 -0.721) 7.655 2.542 ( 1.687 9.193 -4.211) 10.251 2.624 ( 7.496 7.661 -7.801) 13.257 2.805 ( -4.437 3.983 3.212) 6.773 2.886 ( -0.451 2.711 -0.907) 2.894 3.252 ( -2.321 -3.106 3.343) 5.120 3.319 ( 1.052 -6.660 -1.758) 6.968 3.549 ( -2.811 -8.022 2.709) 8.921 3.648 ( 3.238 -7.562 -0.397) 8.236 3.782 ( -1.475 -4.181 1.793) 4.782 3.825 ( -1.511 3.457 0.313) 3.786 3.847 ( 1.935 3.574 -2.464) 4.753 3.925 ( 2.743 -5.037 -7.773) 9.660 4.011 ( -2.129 5.842 4.236) 7.524 4.112 ( 2.199 6.300 -4.455) 8.023 4.232 ( -1.804 4.010 4.111) 6.020 4.304 ( -0.170 1.120 -2.579) 2.816 4.359 ( -2.178 3.400 0.519) 4.071 4.417 ( -0.475 3.292 1.575) 3.680 4.444 ( 1.619 -1.582 -0.191) 2.272 4.479 ( 0.985 -1.622 -0.708) 2.026 4.603 ( -0.349 0.699 3.084) 3.182 4.637 ( 0.061 1.586 -2.078) 2.614 4.803 ( -2.061 1.140 2.272) 3.273 4.817 ( 0.175 0.960 0.165) 0.990 4.824 ( 1.763 2.918 -1.210) 3.618 4.866 ( 0.917 5.014 -0.921) 5.180 4.972 ( -2.302 1.216 4.221) 4.959 5.076 ( 3.414 0.573 -1.027) 3.611 5.123 ( -3.270 -6.653 2.201) 7.733 5.179 ( -0.727 -2.076 -0.355) 2.227 5.260 ( 0.299 5.342 1.238) 5.492 5.305 ( 1.475 1.110 -1.080) 2.139 5.320 ( 0.416 0.068 -2.501) 2.536 5.372 ( 3.621 -1.492 -2.206) 4.495 5.419 ( -0.016 -8.045 3.467) 8.760 5.458 ( -0.561 -3.252 -3.813) 5.043 5.478 ( -1.286 -2.083 2.308) 3.365 5.524 ( 0.382 -4.518 1.023) 4.648 5.646 ( -2.754 0.156 5.560) 6.207 5.762 ( 0.165 0.235 -0.376) 0.474 5.781 ( 2.058 -0.515 -3.516) 4.106 5.867 ( 7.785 -4.120 -3.021) 9.312 6.066 ( 0.306 8.571 1.951) 8.795 6.103 ( -1.742 7.319 -5.861) 9.537 6.173 ( -1.527 2.064 4.884) 5.518 6.270 ( 2.199 3.869 -4.884) 6.607 6.478 ( -1.408 0.678 1.161) 1.947 6.579 ( 5.008 -2.973 -1.859) 6.114 6.649 ( -2.002 1.567 1.247) 2.832 6.715 ( 2.460 -0.340 -0.106) 2.485 6.934 ( -0.228 1.712 8.323) 8.500 7.012 ( -0.019 1.508 -4.685) 4.922 12.232 ( 0.337 -3.149 0.749) 3.254 12.243 ( 0.495 -3.183 -0.783) 3.315 12.570 ( -0.594 0.632 1.060) 1.370 12.589 ( -0.112 1.214 -1.169) 1.690 12.805 ( -0.634 3.487 2.781) 4.505 12.858 ( 1.158 3.979 -3.140) 5.199 13.066 ( -0.159 0.008 0.914) 0.928 13.073 ( -0.409 0.295 -0.751) 0.905 13.391 ( -1.566 -0.219 0.041) 1.582 13.410 ( 0.279 -0.193 0.186) 0.387 13.466 ( 0.669 0.844 2.545) 2.764 13.506 ( 0.878 0.619 -3.843) 3.991 13.740 ( -1.827 1.912 5.235) 5.866 13.843 ( 2.285 0.476 -5.306) 5.797 14.097 ( -1.647 -0.931 3.021) 3.564 14.158 ( 1.642 -1.260 -1.710) 2.684 16.913 ( -0.400 -0.696 -0.331) 0.868 16.925 ( 1.348 -0.038 0.321) 1.386 17.086 ( -0.619 0.694 0.275) 0.970 17.108 ( 1.187 0.684 -0.511) 1.462 17.203 ( -0.793 1.293 1.527) 2.153 17.240 ( 1.152 1.118 -1.491) 2.191 17.328 ( -0.875 -0.553 1.981) 2.236 17.368 ( 0.796 -1.263 -2.069) 2.552 17.417 ( -0.658 0.681 0.125) 0.955 17.432 ( 0.703 0.353 0.234) 0.821 17.630 ( -0.726 2.506 1.310) 2.920 17.661 ( 0.222 -0.626 2.503) 2.590 17.665 ( -0.706 1.661 -1.643) 2.441 17.720 ( 1.646 -0.425 -2.743) 3.227 17.875 ( 0.287 1.365 1.531) 2.071 17.885 ( -0.215 1.454 -0.794) 1.671 18.358 ( -0.730 -0.145 -0.439) 0.864 18.368 ( 0.470 -0.226 -0.331) 0.618 18.538 ( -1.387 -2.738 1.507) 3.419 18.565 ( 0.320 -3.049 0.209) 3.073 18.662 ( -1.249 -1.955 -0.314) 2.341 18.688 ( 1.475 -2.116 -0.623) 2.653 18.874 ( -0.930 -2.226 1.366) 2.772 18.900 ( -0.149 -3.335 -1.450) 3.640 27.779 ( 0.118 -0.185 0.155) 0.269 27.781 ( 0.143 -0.171 -0.151) 0.269 27.876 ( -0.311 -1.066 0.364) 1.169 27.880 ( -0.370 -1.028 -0.362) 1.151 28.297 ( -0.518 -0.068 0.037) 0.524 28.309 ( 0.701 0.104 -0.056) 0.710 28.364 ( -0.407 -0.714 0.123) 0.831 28.372 ( 0.363 -0.530 -0.113) 0.652 30.500 ( -1.587 -2.124 2.329) 3.529 30.546 ( -0.637 -3.545 -3.356) 4.923 30.721 ( -1.283 -3.490 1.144) 3.891 30.760 ( 1.393 -4.025 -0.418) 4.280 31.068 ( 0.835 -0.223 1.243) 1.514 31.085 ( 0.603 -0.514 -1.596) 1.782 31.530 ( -0.091 5.585 0.942) 5.665 31.536 ( -0.243 3.148 -0.541) 3.203 31.750 ( -3.060 0.160 -0.092) 3.066 31.785 ( 1.240 -1.537 0.784) 2.124 31.892 ( 0.938 1.871 1.408) 2.522 31.931 ( 0.789 -0.678 -5.600) 5.696 32.187 ( -1.846 -1.380 5.596) 6.052 32.262 ( 0.324 2.026 -3.718) 4.247 32.391 ( -1.829 0.916 4.253) 4.720 32.480 ( 1.137 -0.461 -4.913) 5.064 32.821 ( -8.618 6.036 3.240) 11.009 32.947 ( 0.087 3.339 -1.083) 3.512 33.188 ( -7.979 -3.844 6.488) 10.979 33.266 ( -8.998 6.776 -7.953) 13.788 33.389 ( 15.192 21.436 12.349) 29.031 33.505 ( 11.623 6.324 -10.807) 17.084 33.967 ( 4.724 1.528 1.774) 5.273 34.009 ( 7.112 1.496 -1.348) 7.391 ======================= Grid point 82 (40/55) ======================= q-point: (-0.29 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -2.623 14.950 3.910) 15.674 1.047 ( -3.669 9.659 -0.387) 10.340 1.081 ( -3.790 13.309 -4.612) 14.587 1.178 ( -0.798 3.117 -9.667) 10.188 1.325 ( 4.796 5.220 2.343) 7.466 1.376 ( 2.424 -0.491 2.062) 3.220 1.441 ( 3.116 3.102 1.037) 4.518 1.510 ( 1.582 2.487 2.154) 3.651 1.555 ( 5.666 5.164 -3.697) 8.511 1.622 ( -0.812 3.855 -1.445) 4.196 1.632 ( 4.225 -0.363 1.570) 4.522 1.693 ( 0.366 1.931 1.612) 2.542 1.737 ( -2.007 4.426 1.554) 5.103 1.806 ( 2.972 7.345 -0.759) 7.960 1.893 ( -3.283 2.685 0.229) 4.248 2.024 ( -2.608 5.966 -6.086) 8.913 2.151 ( -4.003 3.981 8.791) 10.448 2.210 ( -11.741 8.533 7.874) 16.513 2.298 ( -4.434 3.163 2.688) 6.073 2.375 ( 3.408 5.026 -6.257) 8.720 2.528 ( -0.072 8.563 -2.977) 9.066 2.648 ( 0.563 6.028 -6.506) 8.887 2.743 ( -4.498 5.088 3.405) 7.597 2.843 ( -3.491 1.724 -0.143) 3.896 3.245 ( -0.672 -5.140 2.425) 5.722 3.327 ( 0.246 -6.873 0.131) 6.879 3.531 ( -0.826 -7.223 2.176) 7.589 3.701 ( 1.066 -5.021 0.880) 5.208 3.775 ( 0.341 -1.279 -0.164) 1.334 3.799 ( -1.303 -0.835 1.067) 1.880 3.852 ( 0.264 4.233 -1.089) 4.379 3.917 ( 2.707 -6.313 -6.892) 9.730 4.003 ( -2.068 5.453 3.937) 7.036 4.129 ( 2.888 5.652 -3.688) 7.341 4.212 ( -3.816 4.975 3.017) 6.958 4.277 ( -0.212 2.718 -2.081) 3.430 4.322 ( -2.172 3.863 1.930) 4.834 4.422 ( -0.954 2.495 2.767) 3.846 4.475 ( 2.502 0.059 -2.722) 3.697 4.499 ( 1.268 -1.733 -0.228) 2.159 4.617 ( -0.871 2.121 -0.440) 2.334 4.630 ( 0.973 1.039 1.180) 1.849 4.778 ( -0.964 -2.029 -2.406) 3.292 4.792 ( -2.117 5.780 2.697) 6.720 4.869 ( 0.880 2.885 0.345) 3.036 4.890 ( 3.627 3.042 -0.726) 4.789 4.966 ( -0.950 2.557 1.940) 3.347 5.082 ( -1.640 -7.363 -0.840) 7.590 5.108 ( -0.409 1.795 0.912) 2.054 5.166 ( -1.510 -3.134 2.638) 4.366 5.290 ( 2.633 5.347 -0.765) 6.009 5.310 ( 1.070 -2.920 -2.632) 4.074 5.337 ( 1.535 2.521 0.446) 2.985 5.387 ( -1.396 -3.340 -4.669) 5.908 5.424 ( 0.455 2.429 1.351) 2.817 5.462 ( 2.694 -9.374 2.326) 10.027 5.493 ( 1.032 -0.522 2.537) 2.788 5.568 ( 1.687 -1.243 2.595) 3.336 5.624 ( -0.502 0.201 -0.003) 0.540 5.789 ( 1.648 -1.986 0.296) 2.598 5.828 ( 5.285 -2.431 -3.126) 6.604 5.964 ( 3.758 -6.515 -5.668) 9.418 6.027 ( 0.284 7.180 -1.449) 7.330 6.093 ( 1.519 7.193 -0.191) 7.354 6.223 ( 1.447 0.577 6.695) 6.874 6.289 ( 1.612 2.543 -0.379) 3.035 6.431 ( -2.402 0.430 -2.081) 3.207 6.621 ( -2.158 -1.506 1.426) 2.993 6.644 ( 4.820 -2.929 -4.231) 7.051 6.760 ( -0.491 0.599 2.564) 2.678 6.903 ( -2.732 0.273 -3.584) 4.515 7.129 ( 11.153 0.858 4.762) 12.157 12.247 ( 0.934 -3.156 0.004) 3.292 12.256 ( 1.123 -3.133 0.012) 3.328 12.560 ( -1.190 0.242 0.702) 1.402 12.575 ( -0.520 1.448 -0.707) 1.693 12.808 ( -0.533 3.253 1.197) 3.507 12.866 ( 1.486 3.710 -1.759) 4.367 13.045 ( -1.020 -0.111 -0.337) 1.080 13.079 ( -0.151 0.388 0.726) 0.837 13.364 ( -1.160 0.143 -0.363) 1.224 13.407 ( -0.834 0.807 0.481) 1.256 13.495 ( 0.444 0.108 0.887) 0.998 13.514 ( 2.392 0.569 -0.877) 2.611 13.743 ( -1.992 2.281 4.295) 5.255 13.841 ( 2.250 1.059 -5.712) 6.230 14.099 ( -0.875 -0.578 3.267) 3.431 14.178 ( 1.892 -1.935 -1.698) 3.194 16.912 ( 0.442 -0.553 0.198) 0.735 16.960 ( 2.151 -0.090 0.096) 2.155 17.072 ( -0.857 0.995 -0.225) 1.332 17.122 ( 1.231 0.504 -1.575) 2.061 17.212 ( 0.652 0.884 1.378) 1.763 17.253 ( 1.045 0.774 -0.553) 1.413 17.331 ( -0.292 0.094 1.600) 1.629 17.359 ( 0.288 -1.258 -2.379) 2.706 17.412 ( -0.198 0.523 0.325) 0.647 17.446 ( 0.174 -0.170 0.572) 0.622 17.628 ( -0.704 0.779 -0.016) 1.051 17.642 ( 0.234 2.481 -0.601) 2.564 17.699 ( 0.882 0.179 4.148) 4.245 17.732 ( 1.473 -0.296 -1.963) 2.472 17.861 ( -0.550 1.735 -1.393) 2.292 17.898 ( 0.431 -0.241 0.438) 0.660 18.346 ( -0.509 0.034 0.427) 0.665 18.371 ( -0.269 -0.918 -0.021) 0.956 18.495 ( -3.041 -2.521 -0.517) 3.984 18.570 ( -0.312 -2.841 -0.188) 2.864 18.643 ( 0.025 -0.666 -0.051) 0.669 18.717 ( 1.407 -2.134 0.734) 2.659 18.849 ( -1.476 -2.479 -0.745) 2.980 18.884 ( -1.586 -2.799 0.154) 3.221 27.784 ( 0.434 -0.140 -0.043) 0.458 27.786 ( 0.455 -0.196 0.038) 0.497 27.864 ( -0.946 -0.957 -0.207) 1.361 27.867 ( -0.952 -1.058 0.206) 1.438 28.291 ( -0.131 -0.181 -0.015) 0.224 28.319 ( 0.164 0.196 0.018) 0.257 28.359 ( 0.070 -0.830 -0.033) 0.834 28.378 ( 0.266 -0.436 0.027) 0.511 30.472 ( -3.097 -1.673 1.927) 4.013 30.485 ( -3.067 -2.536 -2.725) 4.824 30.710 ( -0.584 -3.098 0.626) 3.214 30.787 ( 1.439 -4.436 -0.078) 4.665 31.094 ( 1.404 -0.032 -0.719) 1.578 31.107 ( 2.384 -0.081 0.875) 2.541 31.521 ( -0.849 3.139 -0.037) 3.252 31.542 ( 0.602 5.088 0.590) 5.158 31.685 ( -3.561 0.690 -0.393) 3.649 31.789 ( -1.108 -0.188 -0.886) 1.431 31.904 ( 0.260 1.263 -0.268) 1.317 31.944 ( 2.943 -2.082 -0.518) 3.642 32.158 ( -4.239 0.209 1.866) 4.636 32.248 ( 0.362 1.883 -1.439) 2.397 32.378 ( -2.386 -0.167 1.646) 2.903 32.448 ( -1.536 -0.272 -1.444) 2.126 32.731 ( -4.440 7.344 4.232) 9.568 32.896 ( -3.513 5.686 -1.074) 6.770 33.029 ( -7.516 6.013 -5.751) 11.213 33.097 ( -8.192 1.118 3.563) 9.003 33.672 ( 17.540 3.210 -6.959) 19.141 33.880 ( 22.529 15.557 11.175) 29.571 34.094 ( 9.488 -1.957 -2.636) 10.040 34.191 ( 11.730 -0.206 -0.314) 11.736 ======================= Grid point 83 (41/55) ======================= q-point: (-0.14 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -9.220 16.454 9.965) 21.331 0.961 ( -2.950 18.994 -2.041) 19.329 1.023 ( 4.143 12.316 -11.817) 17.564 1.076 ( 0.085 4.975 -10.569) 11.682 1.409 ( -0.750 1.544 7.227) 7.428 1.436 ( 1.886 6.728 2.368) 7.378 1.491 ( 0.211 4.932 2.136) 5.379 1.537 ( 4.439 1.682 -0.706) 4.799 1.591 ( -1.030 5.188 1.194) 5.422 1.654 ( 2.549 2.528 1.061) 3.744 1.679 ( -1.913 -0.131 -0.255) 1.935 1.714 ( 1.245 2.822 -1.011) 3.246 1.738 ( 3.139 1.536 0.802) 3.586 1.815 ( 1.765 4.834 -4.660) 6.942 1.920 ( 0.401 4.708 -2.788) 5.487 1.952 ( 1.446 8.688 4.318) 9.809 2.083 ( -7.330 7.006 6.174) 11.872 2.164 ( -0.233 2.208 3.464) 4.115 2.244 ( -5.368 2.159 6.596) 8.774 2.373 ( 1.750 6.260 -7.081) 9.611 2.484 ( -1.459 5.755 -5.122) 7.841 2.541 ( -5.394 6.566 -5.601) 10.177 2.710 ( -2.872 3.976 4.620) 6.738 2.787 ( -1.612 3.943 -0.938) 4.362 3.268 ( 1.369 -6.726 1.387) 7.002 3.323 ( -1.154 -7.875 0.845) 8.004 3.564 ( 2.216 -5.813 2.830) 6.835 3.687 ( -3.447 -1.705 2.494) 4.584 3.778 ( 0.922 4.090 -1.752) 4.544 3.810 ( 0.348 -7.838 1.132) 7.927 3.845 ( -0.142 3.373 -0.648) 3.437 3.911 ( 2.785 -6.804 -6.825) 10.031 4.008 ( -1.331 4.558 5.280) 7.101 4.143 ( 1.134 5.097 -2.913) 5.979 4.165 ( -2.182 6.929 1.128) 7.351 4.243 ( -0.936 4.690 -3.550) 5.956 4.344 ( -0.016 2.346 7.103) 7.480 4.422 ( -1.352 1.927 2.508) 3.440 4.479 ( 0.452 0.401 -2.456) 2.529 4.523 ( 2.534 0.607 -2.435) 3.567 4.601 ( -0.292 2.641 0.015) 2.657 4.653 ( 0.462 2.281 0.770) 2.451 4.726 ( -1.494 -1.064 -2.743) 3.300 4.789 ( -1.991 0.680 3.276) 3.893 4.887 ( 0.966 5.320 0.509) 5.431 4.946 ( 2.287 -0.354 -0.895) 2.481 4.965 ( -0.584 3.788 0.730) 3.901 5.054 ( 0.635 -5.868 -3.398) 6.811 5.091 ( -2.371 1.115 3.039) 4.013 5.155 ( -2.086 -2.925 2.341) 4.288 5.294 ( 0.248 -2.539 -3.472) 4.308 5.326 ( 2.202 1.204 -3.001) 3.912 5.362 ( 1.029 1.823 0.696) 2.206 5.370 ( 0.584 -0.137 2.201) 2.282 5.450 ( 0.908 1.079 2.619) 2.975 5.516 ( 1.693 -0.892 1.247) 2.284 5.532 ( -0.657 -0.139 3.404) 3.469 5.611 ( 2.791 0.794 0.354) 2.923 5.658 ( 3.147 -1.662 -0.883) 3.667 5.777 ( -0.980 -1.605 -5.630) 5.935 5.901 ( 4.972 -4.916 -2.826) 7.542 5.950 ( 0.288 -2.390 -2.600) 3.544 6.047 ( 0.376 3.677 1.586) 4.022 6.128 ( 3.024 3.127 -3.541) 5.609 6.283 ( 1.994 -0.840 -0.186) 2.171 6.332 ( 0.107 1.736 5.469) 5.739 6.394 ( -0.691 -2.655 1.566) 3.160 6.567 ( -5.307 -2.602 0.933) 5.984 6.693 ( 4.425 -2.736 -4.442) 6.842 6.746 ( -3.785 -0.041 3.333) 5.043 6.880 ( 3.747 0.534 1.352) 4.019 7.350 ( 9.181 -7.744 -3.920) 12.634 12.266 ( 1.161 -3.133 -0.130) 3.344 12.275 ( 0.727 -3.125 0.142) 3.211 12.543 ( -1.067 0.126 0.480) 1.177 12.558 ( -0.590 1.345 -0.800) 1.672 12.812 ( -0.129 2.791 1.481) 3.162 12.874 ( 1.004 3.454 -2.044) 4.137 13.034 ( -0.487 -0.242 0.964) 1.107 13.076 ( -0.408 0.279 -0.136) 0.512 13.350 ( -0.075 0.949 -0.188) 0.971 13.390 ( -0.964 1.532 -0.387) 1.851 13.515 ( 0.600 -0.900 2.003) 2.276 13.552 ( 1.865 0.060 -0.267) 1.885 13.736 ( -2.249 3.322 3.703) 5.459 13.834 ( 2.191 1.628 -5.984) 6.577 14.116 ( -0.432 -0.765 3.602) 3.708 14.195 ( 1.436 -2.281 -1.977) 3.343 16.930 ( 0.775 -0.450 1.192) 1.491 16.993 ( 1.347 -0.139 -0.822) 1.584 17.060 ( -0.204 1.071 0.218) 1.112 17.125 ( 0.878 0.732 -2.779) 3.005 17.241 ( 1.358 -0.228 0.418) 1.439 17.265 ( 0.283 0.429 0.201) 0.552 17.338 ( 0.615 -0.472 -0.292) 0.828 17.356 ( 0.908 -0.117 -0.704) 1.155 17.412 ( -0.150 0.174 0.443) 0.499 17.439 ( -1.277 -0.439 0.215) 1.367 17.614 ( -0.009 1.170 -0.525) 1.282 17.650 ( 0.408 0.845 -0.772) 1.215 17.743 ( 1.513 0.377 -1.668) 2.283 17.750 ( -0.331 -0.233 4.746) 4.763 17.850 ( 0.476 0.820 -0.095) 0.953 17.900 ( -0.055 -1.513 -0.462) 1.583 18.337 ( -1.107 -0.324 -0.346) 1.205 18.351 ( -1.273 -0.499 0.220) 1.385 18.451 ( -1.456 -0.623 1.057) 1.904 18.546 ( -1.088 -2.369 -2.090) 3.341 18.670 ( 2.447 0.035 0.817) 2.580 18.747 ( 0.745 -2.099 1.650) 2.772 18.817 ( -1.620 -2.451 -1.117) 3.143 18.842 ( -2.472 -2.365 -0.399) 3.444 27.795 ( 0.897 -0.180 -0.024) 0.915 27.798 ( 0.793 -0.146 0.019) 0.807 27.843 ( -1.184 -0.876 -0.077) 1.475 27.846 ( -1.404 -0.883 0.067) 1.660 28.292 ( 0.291 -0.208 -0.005) 0.357 28.314 ( -0.614 -0.029 -0.000) 0.614 28.367 ( 0.649 -0.641 -0.022) 0.912 28.381 ( 0.042 -0.497 0.011) 0.499 30.413 ( -2.424 -0.766 -1.104) 2.772 30.429 ( -2.843 -0.675 1.050) 3.105 30.712 ( -0.081 -2.992 1.356) 3.286 30.800 ( 0.562 -4.678 -1.497) 4.944 31.121 ( 1.506 0.464 0.768) 1.753 31.159 ( 2.528 -0.166 -0.039) 2.534 31.508 ( -0.595 2.943 0.735) 3.091 31.551 ( -0.974 2.950 0.444) 3.138 31.641 ( 0.522 2.986 -1.026) 3.201 31.740 ( -2.990 0.737 -1.335) 3.356 31.904 ( -0.328 0.837 0.213) 0.924 31.992 ( 2.240 -3.462 -2.074) 4.616 32.104 ( -2.447 1.937 3.083) 4.387 32.237 ( -1.348 1.574 -0.496) 2.131 32.341 ( -0.725 -0.109 -0.443) 0.856 32.415 ( -2.872 1.180 2.382) 3.913 32.712 ( -1.060 6.719 2.066) 7.109 32.828 ( -1.873 8.696 -4.594) 10.012 32.904 ( -1.971 3.213 -1.549) 4.075 32.988 ( -6.750 3.070 3.276) 8.107 33.952 ( 15.380 1.268 -1.397) 15.496 34.213 ( 6.791 -4.647 -2.185) 8.514 34.269 ( 10.937 -0.837 -0.065) 10.969 34.461 ( 15.597 1.696 2.763) 15.931 ======================= Grid point 84 (42/55) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -5.460 14.793 6.011) 16.875 1.263 ( 3.663 10.944 -2.826) 11.881 1.298 ( 3.030 13.949 -3.179) 14.624 1.322 ( 2.154 13.414 -5.116) 14.517 1.472 ( -0.859 1.657 3.455) 3.927 1.526 ( 0.534 1.539 -1.461) 2.188 1.576 ( 1.663 0.141 1.406) 2.182 1.593 ( -1.555 -0.068 -0.085) 1.559 1.659 ( -3.063 3.753 1.111) 4.970 1.687 ( 1.503 2.855 -1.320) 3.486 1.736 ( 0.001 2.832 1.558) 3.233 1.749 ( -0.969 2.646 0.880) 2.952 1.847 ( -2.433 1.668 -1.399) 3.265 1.869 ( 3.806 6.100 -3.767) 8.117 2.017 ( 2.002 3.997 0.511) 4.500 2.057 ( -4.812 3.354 -3.119) 6.643 2.238 ( -6.244 5.044 7.598) 11.052 2.262 ( 1.464 2.252 8.751) 9.154 2.297 ( 4.407 5.565 3.212) 7.791 2.407 ( -1.014 -1.590 -3.730) 4.180 2.503 ( 2.080 4.199 -4.110) 6.233 2.548 ( -0.128 6.185 -5.343) 8.174 2.762 ( -0.430 0.110 3.896) 3.921 2.825 ( 0.517 0.737 -1.932) 2.132 3.142 ( -1.261 -7.299 1.483) 7.554 3.172 ( 1.570 -6.493 -1.105) 6.771 3.459 ( -0.682 -8.932 4.502) 10.026 3.543 ( 0.230 -7.745 -2.965) 8.296 3.665 ( 0.565 -5.343 -0.299) 5.381 3.711 ( 0.670 -8.074 -4.292) 9.168 3.881 ( 1.760 2.455 2.453) 3.891 3.965 ( 0.669 6.804 -4.899) 8.411 4.097 ( -2.796 -0.669 6.602) 7.201 4.204 ( -0.718 -0.447 -1.803) 1.992 4.311 ( 1.775 5.737 -0.405) 6.019 4.320 ( -0.018 -1.072 -1.110) 1.543 4.449 ( 0.192 1.370 2.360) 2.736 4.473 ( -0.796 3.632 1.122) 3.884 4.499 ( -0.615 5.961 0.321) 6.002 4.543 ( 0.589 2.151 -5.194) 5.652 4.644 ( -0.854 -0.085 1.188) 1.466 4.674 ( 0.071 1.970 -1.458) 2.452 4.713 ( 1.173 2.195 1.513) 2.913 4.734 ( -0.579 2.115 -0.354) 2.221 4.944 ( -2.994 -0.165 2.718) 4.048 4.966 ( 1.276 -0.331 0.740) 1.512 4.991 ( -2.510 1.076 5.210) 5.882 5.057 ( 1.345 0.308 0.475) 1.460 5.097 ( -0.007 0.691 0.058) 0.694 5.126 ( -0.566 0.083 -1.352) 1.468 5.190 ( 0.720 -3.037 -1.123) 3.317 5.246 ( 1.860 -1.187 -4.302) 4.835 5.372 ( -1.376 -1.609 5.431) 5.830 5.422 ( -1.327 -0.941 5.259) 5.505 5.486 ( 1.492 -0.473 -2.851) 3.252 5.546 ( -0.368 -3.679 -4.951) 6.179 5.596 ( -0.989 2.618 0.124) 2.801 5.637 ( 3.121 0.593 -4.198) 5.265 5.693 ( -2.012 4.209 3.466) 5.811 5.782 ( 2.493 7.480 -3.861) 8.779 5.875 ( -1.272 0.484 0.858) 1.609 5.930 ( 0.833 3.684 -2.888) 4.755 6.163 ( 0.186 4.540 1.716) 4.857 6.201 ( 0.576 3.031 -1.982) 3.667 6.295 ( 1.609 -1.190 1.006) 2.239 6.309 ( -3.600 -1.810 0.569) 4.069 6.380 ( -1.032 -0.577 6.310) 6.420 6.494 ( 1.829 0.035 -3.824) 4.239 6.650 ( -0.745 -3.936 -0.045) 4.006 6.679 ( 2.649 -3.947 -3.142) 5.698 6.943 ( 0.433 -5.534 9.010) 10.583 7.103 ( -2.397 -10.960 -6.667) 13.051 12.222 ( -0.329 -2.261 0.186) 2.292 12.226 ( 0.335 -2.332 -0.177) 2.362 12.546 ( -0.403 0.880 0.822) 1.270 12.568 ( 0.425 0.660 -1.191) 1.427 12.869 ( -0.899 2.267 2.468) 3.469 12.925 ( 1.479 1.713 -2.986) 3.747 13.027 ( -0.410 -0.877 1.940) 2.168 13.056 ( -0.133 -0.918 -1.048) 1.399 13.384 ( 0.146 1.441 0.721) 1.618 13.407 ( -0.006 1.592 -1.545) 2.218 13.505 ( 0.056 -1.727 2.022) 2.660 13.532 ( -0.215 -2.217 -0.731) 2.344 13.828 ( -0.825 5.390 2.155) 5.863 13.888 ( 1.173 3.489 -3.503) 5.082 14.108 ( -1.060 -1.123 2.551) 2.982 14.151 ( 0.725 -2.272 -1.606) 2.875 16.966 ( -0.246 1.644 1.975) 2.581 17.004 ( 0.047 0.852 -1.442) 1.676 17.096 ( 0.168 1.564 0.872) 1.799 17.130 ( 0.283 0.855 -2.550) 2.705 17.243 ( -0.407 -0.778 0.229) 0.907 17.248 ( 0.525 -1.185 -0.246) 1.319 17.349 ( -1.220 0.465 1.112) 1.715 17.369 ( 0.908 0.044 -0.833) 1.233 17.415 ( 0.125 0.297 0.351) 0.476 17.423 ( 0.068 0.370 -0.367) 0.525 17.632 ( -0.138 0.008 0.123) 0.185 17.638 ( 0.259 -0.261 -0.444) 0.577 17.732 ( -2.520 -0.212 2.506) 3.560 17.782 ( 2.833 -0.260 -2.352) 3.691 17.851 ( -1.706 -0.994 0.970) 2.200 17.865 ( 0.935 -0.113 -0.458) 1.047 18.345 ( 0.124 1.163 0.149) 1.179 18.348 ( -0.039 1.096 -0.148) 1.106 18.437 ( -0.002 -1.150 1.533) 1.917 18.472 ( -0.052 -2.224 -1.760) 2.837 18.708 ( -0.177 -1.075 1.003) 1.481 18.729 ( 0.867 -1.906 -0.821) 2.249 18.732 ( -0.607 -1.553 1.399) 2.177 18.760 ( -0.074 -2.452 -1.184) 2.724 27.808 ( -0.123 -0.151 0.057) 0.203 27.809 ( 0.150 -0.168 -0.058) 0.233 27.811 ( 0.095 -0.540 0.046) 0.550 27.812 ( -0.123 -0.526 -0.040) 0.541 28.304 ( 0.382 0.434 0.035) 0.579 28.305 ( -0.386 0.536 -0.012) 0.661 28.362 ( -0.103 -0.843 0.005) 0.849 28.363 ( 0.104 -0.967 -0.015) 0.972 30.409 ( 0.197 1.666 0.403) 1.725 30.418 ( -0.104 1.947 -0.353) 1.981 30.647 ( 0.075 -4.643 1.704) 4.947 30.684 ( -0.134 -5.434 -1.735) 5.706 31.156 ( 0.150 0.195 1.119) 1.145 31.173 ( -0.226 -0.415 -0.469) 0.666 31.523 ( -0.226 -0.433 0.008) 0.489 31.541 ( 0.820 0.241 -1.565) 1.783 31.735 ( -3.154 3.234 1.432) 4.739 31.756 ( 2.651 2.671 0.130) 3.765 31.915 ( 0.489 -0.998 -0.562) 1.245 31.929 ( -0.102 -1.400 -1.362) 1.956 32.153 ( -0.520 1.154 3.823) 4.027 32.206 ( -0.797 0.287 -1.282) 1.537 32.354 ( -2.077 -1.822 0.435) 2.797 32.384 ( 4.379 -1.089 -1.687) 4.817 32.778 ( -0.462 1.222 1.923) 2.325 32.829 ( -2.059 1.273 -1.431) 2.812 33.012 ( -1.399 4.501 1.163) 4.855 33.047 ( 2.510 4.828 -1.438) 5.628 34.140 ( 0.225 3.660 2.052) 4.202 34.190 ( -0.725 1.536 -2.858) 3.325 34.393 ( 4.793 -2.230 5.418) 7.570 34.501 ( -4.368 -3.105 -4.923) 7.278 ======================= Grid point 85 (43/55) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -1.073 13.079 2.890) 13.438 1.260 ( -1.599 13.795 -2.597) 14.128 1.300 ( 2.034 11.455 -0.663) 11.653 1.376 ( 4.360 9.768 -5.046) 11.827 1.462 ( -2.782 0.383 1.186) 3.048 1.501 ( -4.044 1.928 0.404) 4.498 1.544 ( -2.702 -1.351 -0.123) 3.023 1.591 ( -2.130 3.525 -1.237) 4.300 1.624 ( 0.972 0.054 2.946) 3.102 1.670 ( -2.562 1.974 0.405) 3.260 1.731 ( -0.734 2.399 0.349) 2.533 1.769 ( -3.476 3.433 0.756) 4.944 1.781 ( -0.010 1.863 -0.458) 1.918 1.900 ( 4.115 9.534 -3.519) 10.964 1.999 ( 1.169 6.501 -2.204) 6.964 2.055 ( -0.544 3.564 4.337) 5.640 2.162 ( -7.218 6.307 7.106) 11.932 2.343 ( 4.056 1.319 -3.914) 5.789 2.402 ( 6.056 1.619 5.721) 8.486 2.466 ( 6.380 1.074 -4.336) 7.788 2.515 ( 1.793 6.903 1.950) 7.394 2.570 ( 5.815 4.662 -3.977) 8.448 2.793 ( 0.700 0.546 3.208) 3.329 2.828 ( 2.003 0.304 -2.781) 3.441 3.126 ( -0.826 -6.999 0.640) 7.077 3.206 ( 2.331 -6.678 -1.030) 7.148 3.431 ( -3.984 -7.376 1.829) 8.580 3.531 ( -0.539 -9.848 -1.032) 9.916 3.677 ( 0.530 -6.612 0.490) 6.651 3.695 ( 1.400 -6.771 -4.111) 8.044 3.926 ( 0.409 1.061 0.429) 1.215 3.942 ( 1.853 7.539 -3.551) 8.536 4.095 ( -2.707 -2.929 5.229) 6.576 4.189 ( 0.143 1.498 -0.192) 1.517 4.294 ( -0.661 0.330 -3.209) 3.293 4.349 ( 1.886 3.118 0.956) 3.767 4.464 ( -1.166 4.674 1.324) 4.996 4.475 ( 0.492 3.175 -0.710) 3.290 4.488 ( -0.582 4.434 3.479) 5.666 4.527 ( 0.848 2.237 -3.229) 4.019 4.636 ( -1.377 0.180 1.525) 2.062 4.668 ( 0.365 2.727 -0.733) 2.848 4.700 ( -0.724 2.426 -0.688) 2.624 4.772 ( 2.484 -1.497 0.558) 2.954 4.900 ( -3.670 0.514 2.276) 4.349 4.965 ( -2.573 -0.008 3.341) 4.217 4.997 ( -0.173 2.129 1.050) 2.380 5.086 ( -0.125 2.269 -2.048) 3.059 5.089 ( -0.090 -4.934 0.279) 4.943 5.107 ( -0.245 -1.366 2.121) 2.535 5.185 ( -0.873 0.127 -0.471) 1.000 5.254 ( 2.493 -2.320 -3.900) 5.178 5.375 ( -2.438 -1.171 3.150) 4.152 5.412 ( -4.174 -3.158 5.415) 7.531 5.466 ( 0.271 -0.905 -5.380) 5.463 5.514 ( 0.163 1.616 -0.762) 1.793 5.582 ( -1.007 0.856 -0.810) 1.550 5.644 ( -4.119 5.568 0.515) 6.945 5.661 ( 2.202 0.036 -1.773) 2.827 5.768 ( -0.402 7.656 -4.336) 8.808 5.852 ( -3.068 2.684 3.146) 5.149 5.917 ( -0.371 2.222 -1.279) 2.590 6.160 ( -0.881 5.374 -0.102) 5.447 6.206 ( 0.849 2.291 -0.267) 2.458 6.278 ( 0.356 -1.041 -1.503) 1.863 6.326 ( 0.273 -1.145 2.779) 3.019 6.410 ( -0.517 -0.911 4.325) 4.450 6.532 ( 4.664 -1.549 -3.584) 6.083 6.622 ( 0.378 -3.006 -4.007) 5.024 6.726 ( 2.811 -5.253 -0.828) 6.015 6.915 ( -7.731 -4.248 0.851) 8.863 7.059 ( -0.033 -7.566 3.305) 8.257 12.207 ( -1.214 -2.104 0.136) 2.433 12.222 ( -0.607 -2.451 -0.141) 2.529 12.552 ( 0.381 0.910 0.758) 1.244 12.577 ( 1.337 0.587 -0.871) 1.700 12.866 ( -1.163 2.615 1.633) 3.295 12.932 ( 1.760 1.726 -2.742) 3.687 13.033 ( -0.428 -1.119 0.898) 1.497 13.058 ( 0.926 -0.728 0.215) 1.198 13.377 ( -0.595 1.393 -0.292) 1.542 13.413 ( 0.990 1.345 -0.042) 1.670 13.500 ( -1.641 -1.037 0.221) 1.954 13.525 ( -0.348 -2.925 0.263) 2.958 13.829 ( -1.094 5.747 2.380) 6.316 13.880 ( 1.032 3.203 -3.347) 4.746 14.104 ( -1.658 -1.464 2.533) 3.363 14.148 ( 0.365 -1.718 -1.675) 2.427 16.965 ( -1.402 1.147 1.797) 2.551 16.980 ( -1.255 1.042 -1.405) 2.153 17.104 ( 0.314 1.685 0.050) 1.715 17.122 ( 0.288 1.295 -1.166) 1.766 17.233 ( -0.464 -0.617 0.067) 0.775 17.260 ( 0.665 -1.563 0.108) 1.702 17.316 ( -2.416 1.295 0.485) 2.784 17.369 ( -0.366 -0.124 -0.319) 0.501 17.428 ( 0.558 0.354 -0.580) 0.879 17.433 ( 1.166 0.021 0.418) 1.239 17.619 ( -0.433 0.033 0.070) 0.440 17.659 ( 1.243 0.192 -0.272) 1.286 17.703 ( -2.295 0.417 1.927) 3.026 17.805 ( 1.460 -1.719 -2.761) 3.565 17.834 ( -0.975 0.378 1.766) 2.052 17.883 ( 1.170 -0.286 -0.163) 1.215 18.344 ( 0.279 1.235 -0.049) 1.267 18.357 ( 0.579 0.496 -0.046) 0.764 18.451 ( 0.320 -1.834 0.423) 1.909 18.469 ( 0.951 -1.843 -0.429) 2.118 18.671 ( -2.255 -0.412 0.097) 2.295 18.714 ( -1.342 -2.391 0.145) 2.746 18.768 ( 1.344 -2.079 -0.370) 2.504 18.783 ( 2.760 -2.286 0.198) 3.589 27.794 ( -0.712 0.109 -0.001) 0.721 27.797 ( -0.574 0.057 -0.000) 0.576 27.826 ( 0.854 -0.775 0.011) 1.153 27.830 ( 1.108 -0.846 -0.008) 1.395 28.295 ( -0.369 0.419 -0.010) 0.559 28.318 ( 0.689 0.452 0.022) 0.824 28.351 ( -0.676 -0.891 0.002) 1.118 28.369 ( 0.190 -0.725 -0.007) 0.749 30.415 ( 0.792 1.612 -0.104) 1.798 30.440 ( 2.162 0.992 -0.092) 2.381 30.656 ( -0.542 -4.912 0.539) 4.971 30.672 ( 0.222 -4.937 -0.401) 4.958 31.141 ( -2.384 -0.145 -0.251) 2.402 31.150 ( -1.700 -0.137 0.542) 1.790 31.522 ( 0.993 0.765 -0.500) 1.350 31.574 ( 2.843 -1.008 -1.091) 3.208 31.694 ( -2.250 3.645 1.445) 4.521 31.792 ( 1.027 1.255 0.490) 1.694 31.912 ( -0.151 0.423 -1.606) 1.667 31.932 ( 0.928 -2.739 -0.033) 2.893 32.154 ( -0.579 1.746 2.445) 3.059 32.239 ( 2.836 0.405 0.438) 2.898 32.312 ( -1.246 -1.154 -1.153) 2.053 32.457 ( 4.733 -2.388 -3.403) 6.300 32.796 ( 1.021 -0.029 1.745) 2.022 32.834 ( 2.033 2.300 3.439) 4.610 32.976 ( -1.089 5.531 -0.615) 5.670 33.124 ( 5.581 2.414 -1.710) 6.316 34.087 ( -7.889 6.156 -1.618) 10.137 34.118 ( -5.726 2.441 1.485) 6.399 34.287 ( -11.816 0.265 -3.975) 12.470 34.435 ( -5.189 -1.687 4.108) 6.830 ======================= Grid point 86 (44/55) ======================= q-point: ( 0.29 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.656 8.595 0.319) 8.626 1.222 ( -1.161 9.456 -0.515) 9.541 1.311 ( -1.598 5.517 -1.525) 5.943 1.353 ( -6.172 1.888 1.710) 6.677 1.394 ( 0.567 10.164 -1.818) 10.341 1.442 ( -1.781 0.945 -2.885) 3.520 1.499 ( -3.144 -0.070 1.005) 3.301 1.535 ( -3.159 4.224 -1.568) 5.503 1.628 ( -2.761 1.400 1.656) 3.511 1.645 ( -0.625 -1.769 -0.708) 2.005 1.698 ( -2.138 2.341 1.326) 3.436 1.720 ( -0.560 2.330 1.002) 2.598 1.810 ( 1.607 6.302 1.789) 6.745 1.959 ( 3.195 10.757 -3.366) 11.715 2.049 ( 3.338 9.306 2.339) 10.160 2.092 ( 4.106 7.933 -0.979) 8.986 2.105 ( -5.396 3.674 8.948) 11.076 2.399 ( 6.006 1.809 -7.403) 9.703 2.523 ( 5.053 2.750 -2.899) 6.442 2.540 ( 5.347 3.423 1.996) 6.655 2.589 ( 1.157 5.580 3.916) 6.914 2.643 ( 3.932 3.431 -2.151) 5.645 2.827 ( 0.475 2.720 2.502) 3.727 2.869 ( 4.861 -1.451 -2.615) 5.707 3.131 ( 0.811 -6.995 0.537) 7.062 3.226 ( 0.921 -5.715 -1.599) 6.005 3.385 ( -1.568 -7.819 0.560) 7.994 3.494 ( -3.200 -10.559 0.423) 11.042 3.686 ( 0.431 -6.666 -0.584) 6.705 3.694 ( 2.167 -8.164 -4.701) 9.666 3.921 ( -0.413 2.209 0.868) 2.409 3.962 ( 2.256 6.825 -2.705) 7.680 4.085 ( -2.301 -3.094 4.208) 5.708 4.196 ( 1.324 -0.120 -2.619) 2.937 4.265 ( -0.792 1.604 0.868) 1.988 4.390 ( 1.138 2.341 1.756) 3.139 4.447 ( -0.803 6.860 -1.416) 7.051 4.466 ( -1.130 3.592 1.871) 4.205 4.512 ( 0.175 2.906 -2.209) 3.655 4.516 ( -0.196 4.030 2.334) 4.661 4.624 ( -1.373 2.360 2.350) 3.602 4.664 ( 0.348 0.580 -1.652) 1.786 4.706 ( 0.986 -1.655 0.576) 2.011 4.797 ( -0.324 -6.521 -1.283) 6.653 4.868 ( -1.002 1.672 2.824) 3.431 4.945 ( -1.870 1.335 2.027) 3.064 4.988 ( -1.407 3.296 0.599) 3.634 5.047 ( -2.299 -6.845 1.015) 7.292 5.083 ( -0.398 -0.650 -1.631) 1.800 5.137 ( -0.319 -2.264 4.045) 4.646 5.152 ( -1.371 0.658 -1.573) 2.188 5.254 ( 0.284 -4.607 -3.376) 5.718 5.341 ( -2.660 -0.144 1.404) 3.012 5.386 ( -1.640 -2.317 2.852) 4.023 5.450 ( 1.115 2.572 -1.869) 3.369 5.504 ( -2.269 4.301 1.319) 5.038 5.541 ( -1.123 0.504 -3.010) 3.252 5.573 ( -1.682 5.582 -3.902) 7.016 5.689 ( 1.369 0.047 -0.723) 1.548 5.735 ( -0.202 6.105 -1.184) 6.222 5.816 ( -3.584 5.070 4.272) 7.536 5.899 ( -0.950 2.187 -0.456) 2.428 6.155 ( 0.722 6.323 0.009) 6.364 6.217 ( 0.066 2.285 0.249) 2.299 6.269 ( 0.481 -0.983 -2.719) 2.931 6.362 ( 0.731 -1.855 3.529) 4.054 6.428 ( 0.086 1.205 1.502) 1.927 6.537 ( -0.921 -3.001 -7.081) 7.746 6.607 ( 2.020 -4.107 -3.493) 5.758 6.757 ( 0.558 -5.954 0.520) 6.002 6.830 ( -3.141 2.040 5.113) 6.338 7.067 ( -1.435 -5.727 1.759) 6.160 12.186 ( -1.148 -2.011 0.262) 2.330 12.206 ( -0.881 -2.488 -0.297) 2.656 12.569 ( 0.653 0.894 0.774) 1.351 12.595 ( 1.273 0.451 -0.720) 1.530 12.859 ( -0.805 3.044 1.486) 3.481 12.939 ( 1.294 1.807 -2.846) 3.611 13.033 ( -0.150 -0.659 0.708) 0.979 13.081 ( 0.964 -0.714 0.356) 1.252 13.372 ( 0.311 0.943 -0.214) 1.016 13.429 ( 0.549 0.932 -0.052) 1.083 13.469 ( -1.768 -0.573 0.456) 1.914 13.513 ( -0.911 -2.974 -0.202) 3.117 13.827 ( -1.237 5.741 2.384) 6.338 13.873 ( 1.065 2.716 -3.089) 4.249 14.092 ( -1.794 -1.412 2.655) 3.501 14.140 ( 0.335 -1.125 -1.815) 2.162 16.943 ( -1.096 1.198 -1.029) 1.923 16.950 ( -1.712 0.725 1.070) 2.146 17.111 ( 0.491 1.769 -0.202) 1.847 17.116 ( -0.351 1.389 -0.038) 1.433 17.229 ( 0.068 -0.290 0.015) 0.298 17.270 ( -0.560 0.051 -0.367) 0.672 17.285 ( -0.686 -0.405 1.318) 1.540 17.359 ( -0.291 -0.323 -0.669) 0.798 17.432 ( 0.398 0.529 -0.508) 0.834 17.451 ( 0.284 0.173 0.313) 0.457 17.620 ( 0.141 0.008 0.666) 0.681 17.670 ( 0.169 1.824 0.206) 1.843 17.688 ( -0.604 -0.611 0.760) 1.147 17.783 ( -0.950 -1.276 -2.519) 2.979 17.848 ( 0.579 1.161 1.499) 1.983 17.900 ( 0.855 -0.315 -0.265) 0.949 18.356 ( 0.784 0.488 0.220) 0.949 18.364 ( 0.410 0.309 -0.426) 0.668 18.458 ( 0.646 -1.902 -0.315) 2.033 18.489 ( 0.621 -2.647 0.838) 2.845 18.643 ( -0.730 -0.125 -0.200) 0.767 18.687 ( -1.418 -2.119 -0.303) 2.568 18.792 ( 1.377 -2.002 0.015) 2.430 18.824 ( 1.568 -3.064 0.118) 3.444 27.784 ( -0.389 0.387 0.038) 0.550 27.789 ( -0.282 0.328 -0.037) 0.434 27.840 ( 0.633 -1.085 0.105) 1.261 27.848 ( 0.859 -1.229 -0.107) 1.503 28.292 ( 0.048 0.270 -0.006) 0.274 28.322 ( -0.414 -0.015 -0.006) 0.414 28.345 ( 0.276 -0.346 0.024) 0.443 28.369 ( -0.107 -0.475 -0.022) 0.487 30.438 ( 1.405 0.700 0.479) 1.641 30.480 ( 2.421 -0.146 -0.845) 2.569 30.646 ( -0.345 -4.566 -0.261) 4.587 30.675 ( -0.275 -4.884 0.525) 4.920 31.093 ( -2.447 0.164 0.123) 2.456 31.117 ( -1.830 -0.301 -0.185) 1.863 31.546 ( 1.776 1.171 -0.532) 2.193 31.601 ( 0.841 -0.247 -1.300) 1.567 31.690 ( 0.689 2.214 1.553) 2.790 31.807 ( -0.509 0.312 1.843) 1.938 31.900 ( 0.009 0.721 -0.756) 1.045 31.936 ( 0.128 -3.166 -0.877) 3.288 32.178 ( 0.508 2.698 1.224) 3.006 32.262 ( 0.772 0.571 -0.380) 1.033 32.330 ( 2.741 -0.925 0.779) 2.996 32.478 ( 1.661 -3.887 -5.726) 7.117 32.854 ( 4.040 -0.982 0.979) 4.271 32.933 ( 2.987 2.060 4.856) 6.062 32.990 ( 3.748 4.310 1.814) 5.993 33.203 ( 5.135 -0.661 -3.334) 6.158 33.819 ( -15.600 12.810 -3.248) 20.445 34.032 ( -6.376 4.144 4.713) 8.946 34.104 ( -7.660 2.741 -0.478) 8.150 34.283 ( -11.718 3.156 -0.934) 12.171 ======================= Grid point 87 (45/55) ======================= q-point: ( 0.43 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 1.349 2.972 0.066) 3.264 1.179 ( -4.770 4.825 4.481) 8.131 1.241 ( 0.374 3.745 -2.679) 4.620 1.313 ( -1.055 -0.302 -0.753) 1.331 1.382 ( 0.340 5.245 -1.974) 5.615 1.401 ( -2.782 3.821 -3.728) 6.020 1.440 ( 0.615 5.466 0.157) 5.502 1.503 ( -1.460 2.401 0.371) 2.834 1.566 ( -2.948 6.738 1.339) 7.476 1.636 ( 0.439 -0.484 -2.511) 2.595 1.702 ( 0.253 3.727 1.850) 4.168 1.730 ( 0.043 0.274 1.500) 1.526 1.858 ( 1.796 7.381 1.982) 7.851 1.954 ( 0.156 11.903 -3.412) 12.383 2.063 ( -6.193 3.571 11.187) 13.276 2.134 ( 1.072 8.817 5.622) 10.512 2.197 ( 7.587 6.822 -5.684) 11.680 2.424 ( 4.569 0.748 -11.111) 12.037 2.565 ( -3.685 6.125 6.546) 9.692 2.599 ( -3.047 6.448 5.354) 8.918 2.631 ( 4.883 2.377 -3.852) 6.658 2.681 ( 5.180 4.218 -6.138) 9.072 2.860 ( -0.166 2.080 3.508) 4.081 2.921 ( 2.136 -0.583 -1.881) 2.905 3.157 ( 1.005 -7.207 1.048) 7.352 3.215 ( -0.565 -4.519 -1.719) 4.868 3.380 ( -1.252 -8.978 2.686) 9.455 3.443 ( -0.624 -10.016 -1.867) 10.208 3.677 ( -0.413 -5.311 -1.521) 5.540 3.703 ( 3.072 -10.713 -5.221) 12.307 3.920 ( -1.674 3.011 3.112) 4.642 3.983 ( 2.718 6.751 -3.978) 8.294 4.084 ( -1.602 -2.826 4.742) 5.748 4.193 ( 2.059 -0.705 -4.982) 5.437 4.282 ( -0.424 1.676 5.053) 5.340 4.401 ( -1.539 -1.798 -1.115) 2.616 4.427 ( 0.307 8.596 1.509) 8.733 4.459 ( -0.696 4.848 0.214) 4.902 4.501 ( -0.980 2.635 0.666) 2.889 4.522 ( 0.559 5.248 -0.876) 5.350 4.626 ( -1.014 1.998 3.217) 3.920 4.661 ( 0.497 -0.129 -1.205) 1.309 4.720 ( 0.612 -2.582 -0.521) 2.705 4.772 ( -0.508 -7.263 -1.155) 7.372 4.887 ( -0.479 0.574 3.320) 3.404 4.941 ( 0.672 1.381 -0.029) 1.536 4.967 ( -1.779 0.224 1.790) 2.534 5.012 ( -2.835 -7.505 1.348) 8.135 5.058 ( -0.986 0.461 -0.293) 1.128 5.116 ( -0.581 -0.419 -1.433) 1.602 5.159 ( 0.030 -5.039 1.303) 5.204 5.227 ( 0.324 -3.740 -2.898) 4.743 5.326 ( -1.347 1.334 4.276) 4.677 5.388 ( -0.726 -1.532 2.031) 2.646 5.456 ( -1.039 4.674 1.686) 5.076 5.471 ( -0.989 5.263 -1.244) 5.497 5.500 ( 1.665 4.443 -5.403) 7.190 5.534 ( 0.778 3.829 -5.681) 6.895 5.699 ( -0.049 -0.120 0.899) 0.909 5.739 ( 1.308 3.281 -0.910) 3.647 5.805 ( -1.387 6.009 4.467) 7.614 5.874 ( -1.322 3.351 -0.550) 3.644 6.182 ( 1.533 6.166 0.727) 6.396 6.212 ( -0.439 2.527 -0.073) 2.566 6.260 ( 0.022 1.201 -0.866) 1.481 6.378 ( -0.739 -1.783 -4.576) 4.966 6.422 ( -0.829 0.215 2.222) 2.381 6.492 ( 1.367 -2.167 -0.699) 2.656 6.621 ( 1.796 -3.546 -1.458) 4.234 6.722 ( -2.843 -3.914 -2.168) 5.302 6.871 ( 0.192 0.388 8.336) 8.347 7.044 ( -0.790 -3.337 -2.340) 4.151 12.174 ( -0.461 -2.027 0.470) 2.132 12.190 ( -0.374 -2.432 -0.526) 2.516 12.583 ( 0.104 0.883 0.940) 1.294 12.607 ( 0.686 0.389 -0.941) 1.228 12.862 ( -0.500 3.201 2.228) 3.932 12.934 ( 0.922 2.322 -3.272) 4.117 13.042 ( 0.204 -0.616 1.472) 1.608 13.088 ( -0.064 -0.648 -0.815) 1.043 13.386 ( 1.092 0.333 0.233) 1.165 13.421 ( -0.946 0.316 -0.811) 1.286 13.457 ( -0.428 -0.068 1.616) 1.673 13.495 ( -0.458 -2.680 -0.886) 2.860 13.823 ( -1.174 5.496 2.208) 6.038 13.871 ( 1.357 2.396 -2.924) 4.017 14.083 ( -1.493 -0.997 2.808) 3.333 14.133 ( 0.612 -0.970 -1.928) 2.244 16.926 ( -0.003 1.186 -0.551) 1.307 16.929 ( -1.169 0.687 0.423) 1.421 17.109 ( -0.480 1.105 0.735) 1.411 17.119 ( 0.638 1.570 -0.571) 1.789 17.237 ( 0.544 0.702 0.156) 0.901 17.246 ( -0.920 0.498 -0.269) 1.080 17.298 ( 0.022 -1.570 1.638) 2.269 17.348 ( -0.067 -0.930 -1.374) 1.660 17.436 ( 0.374 0.791 -0.111) 0.882 17.449 ( -0.456 0.853 -0.078) 0.970 17.632 ( 0.103 -0.241 1.426) 1.449 17.676 ( 0.136 0.969 -0.292) 1.021 17.685 ( -0.122 0.376 0.535) 0.665 17.746 ( -0.634 0.482 -2.584) 2.704 17.870 ( 0.356 0.717 1.735) 1.911 17.907 ( 0.273 -0.240 -0.633) 0.730 18.364 ( -0.014 -0.051 -0.012) 0.054 18.368 ( 0.426 0.546 -0.654) 0.953 18.473 ( 0.612 -2.406 1.009) 2.680 18.499 ( -0.010 -3.146 0.235) 3.155 18.640 ( 0.396 -0.352 -0.245) 0.584 18.661 ( -1.080 -1.418 -0.550) 1.865 18.815 ( 0.918 -2.272 0.493) 2.500 18.839 ( 0.177 -3.284 -0.297) 3.302 27.780 ( -0.100 0.509 0.132) 0.535 27.785 ( -0.097 0.470 -0.130) 0.497 27.849 ( 0.233 -1.273 0.243) 1.316 27.857 ( 0.322 -1.407 -0.247) 1.464 28.297 ( 0.454 0.062 0.035) 0.459 28.310 ( -0.743 -0.162 -0.049) 0.762 28.355 ( 0.528 -0.079 0.066) 0.538 28.365 ( -0.324 -0.264 -0.072) 0.424 30.465 ( 0.605 -0.124 1.234) 1.380 30.507 ( 1.391 -0.963 -1.643) 2.359 30.643 ( -0.245 -4.432 0.783) 4.507 30.668 ( -0.332 -4.601 -0.485) 4.638 31.063 ( -1.025 0.289 0.709) 1.280 31.089 ( -0.731 -0.268 -0.835) 1.142 31.569 ( 0.927 1.091 -0.273) 1.457 31.595 ( 0.225 0.821 -1.694) 1.895 31.730 ( 1.606 0.740 2.262) 2.871 31.796 ( -2.080 0.460 1.433) 2.568 31.899 ( -0.219 0.479 0.309) 0.610 31.935 ( 1.180 -2.612 -1.683) 3.323 32.175 ( -1.613 1.747 2.116) 3.183 32.289 ( 2.368 0.646 -2.019) 3.178 32.379 ( 1.061 -0.135 1.482) 1.828 32.450 ( 0.634 -4.419 -4.781) 6.541 32.931 ( 2.105 -1.106 1.280) 2.701 32.976 ( 1.764 1.995 -1.702) 3.160 33.111 ( 1.548 -1.620 6.602) 6.972 33.247 ( 3.114 -3.991 -4.832) 6.999 33.616 ( -3.802 18.574 5.095) 19.632 33.920 ( -8.994 8.058 -2.458) 12.323 34.014 ( -0.757 7.093 0.569) 7.156 34.083 ( -6.328 5.018 -1.564) 8.226 ======================= Grid point 88 (46/55) ======================= q-point: (-0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -1.959 5.282 2.725) 6.258 1.252 ( 2.763 1.137 2.388) 3.825 1.256 ( 3.647 2.769 -2.397) 5.168 1.294 ( 1.615 0.627 -4.073) 4.426 1.331 ( -1.804 2.509 0.548) 3.138 1.410 ( 3.909 5.906 -2.226) 7.424 1.459 ( -1.381 5.405 -1.295) 5.727 1.486 ( 2.602 5.570 1.547) 6.340 1.573 ( 0.600 4.134 3.216) 5.272 1.623 ( 1.012 1.604 -3.391) 3.886 1.723 ( 0.323 2.863 1.357) 3.185 1.733 ( 0.069 2.487 -0.760) 2.602 1.893 ( -0.080 7.500 0.783) 7.541 1.928 ( 0.606 11.029 -3.238) 11.510 2.049 ( -5.158 3.378 10.344) 12.042 2.165 ( -2.299 8.028 5.999) 10.282 2.243 ( 1.779 6.321 -5.298) 8.438 2.386 ( 1.436 -0.378 -11.348) 11.445 2.514 ( -8.053 6.707 6.936) 12.567 2.558 ( -3.946 8.568 3.231) 9.971 2.658 ( 0.611 2.185 -2.225) 3.178 2.726 ( 3.431 2.590 -4.680) 6.355 2.852 ( -3.077 1.676 2.337) 4.212 2.916 ( -1.742 -0.173 -0.126) 1.755 3.170 ( -1.174 -6.496 1.144) 6.700 3.191 ( -0.135 -4.698 -1.017) 4.808 3.358 ( -2.501 -9.596 2.448) 10.214 3.472 ( 4.688 -9.091 -2.265) 10.477 3.657 ( -0.136 -5.685 -1.644) 5.920 3.716 ( 2.508 -10.480 -4.537) 11.693 3.902 ( -3.190 2.913 3.442) 5.523 3.991 ( 1.736 5.975 -3.909) 7.348 4.096 ( -1.342 0.454 4.149) 4.384 4.197 ( 2.851 -1.838 -5.432) 6.404 4.318 ( -0.973 1.181 6.420) 6.600 4.358 ( -1.290 -0.428 -1.495) 2.021 4.442 ( -1.077 5.383 -0.259) 5.496 4.456 ( 1.270 6.296 0.783) 6.470 4.490 ( -0.626 2.504 0.720) 2.680 4.527 ( 0.793 5.688 -0.515) 5.766 4.632 ( -0.727 1.351 2.536) 2.964 4.665 ( 0.836 0.859 -0.642) 1.360 4.739 ( 0.103 -5.283 -0.832) 5.349 4.747 ( 0.634 -5.222 -1.466) 5.461 4.910 ( -0.728 3.017 2.928) 4.267 4.932 ( -0.503 -1.766 0.747) 1.982 4.970 ( -0.909 -3.709 1.769) 4.209 4.992 ( 0.001 -2.288 2.631) 3.487 5.056 ( 1.088 -0.243 -0.562) 1.248 5.102 ( 1.015 -1.923 -2.806) 3.550 5.170 ( -0.375 -5.139 2.389) 5.679 5.228 ( 1.909 -2.440 -2.744) 4.138 5.347 ( -0.679 -0.174 4.604) 4.657 5.392 ( -1.079 -0.208 3.007) 3.202 5.430 ( -0.691 5.417 -3.007) 6.234 5.471 ( 1.389 4.195 0.583) 4.458 5.507 ( 2.691 4.090 -5.219) 7.156 5.522 ( 3.072 6.216 -4.007) 8.008 5.698 ( -1.227 0.148 1.427) 1.888 5.758 ( 1.924 0.968 -2.522) 3.316 5.830 ( 0.435 3.511 3.405) 4.911 5.858 ( 0.467 6.258 -0.146) 6.278 6.205 ( 0.044 3.836 0.181) 3.841 6.206 ( 0.266 3.945 -0.632) 4.004 6.238 ( -3.309 3.292 2.527) 5.308 6.319 ( -0.085 0.212 -3.781) 3.788 6.456 ( 1.523 -3.173 2.368) 4.242 6.524 ( 3.375 -2.227 -4.662) 6.171 6.628 ( -2.776 -3.166 0.116) 4.212 6.683 ( 2.470 -2.863 -0.467) 3.810 6.929 ( -1.606 -1.786 7.315) 7.699 7.007 ( 0.287 -2.210 -3.337) 4.013 12.177 ( 0.332 -2.128 0.567) 2.227 12.186 ( 0.506 -2.320 -0.600) 2.449 12.585 ( -0.819 0.806 0.943) 1.487 12.606 ( 0.124 0.504 -0.976) 1.105 12.871 ( -0.837 3.031 2.457) 3.991 12.925 ( 1.089 2.543 -3.353) 4.347 13.057 ( -0.470 -0.841 1.508) 1.789 13.072 ( -0.306 -0.514 -0.854) 1.043 13.393 ( -1.092 0.439 -0.228) 1.199 13.410 ( 0.853 0.253 0.066) 0.893 13.469 ( 0.320 -0.623 1.445) 1.606 13.486 ( 0.472 -1.994 -1.130) 2.340 13.820 ( -0.944 5.107 2.008) 5.568 13.877 ( 1.768 2.561 -2.918) 4.266 14.083 ( -1.043 -0.512 2.896) 3.121 14.132 ( 0.994 -1.367 -1.924) 2.561 16.918 ( -0.278 1.041 0.164) 1.090 16.935 ( 1.289 0.860 -0.160) 1.558 17.109 ( -0.204 1.423 0.502) 1.522 17.127 ( 0.858 1.053 -0.824) 1.589 17.225 ( -1.157 0.787 0.701) 1.565 17.254 ( 0.949 0.146 -0.554) 1.108 17.312 ( 0.092 -0.827 2.009) 2.174 17.336 ( 0.273 -1.635 -1.920) 2.536 17.437 ( -0.520 1.171 -0.121) 1.287 17.445 ( 0.351 0.840 0.162) 0.925 17.639 ( -0.776 -0.450 1.417) 1.677 17.672 ( 0.663 -0.647 -1.292) 1.590 17.692 ( -0.459 2.139 1.852) 2.866 17.727 ( 0.867 0.991 -2.309) 2.658 17.885 ( -0.217 -0.069 1.527) 1.544 17.900 ( -0.306 0.088 -1.045) 1.092 18.359 ( -0.423 0.407 0.068) 0.591 18.368 ( 0.091 0.325 -0.427) 0.544 18.479 ( -1.167 -2.871 0.706) 3.179 18.501 ( 0.513 -3.177 -0.021) 3.218 18.638 ( -0.546 -0.388 -0.098) 0.677 18.656 ( 1.137 -1.021 -0.323) 1.561 18.822 ( -0.962 -2.623 0.261) 2.806 18.834 ( -0.063 -3.043 -0.182) 3.049 27.782 ( 0.107 0.500 0.169) 0.538 27.784 ( 0.088 0.478 -0.168) 0.514 27.851 ( -0.278 -1.313 0.303) 1.376 27.855 ( -0.277 -1.365 -0.305) 1.426 28.297 ( -0.487 0.052 0.021) 0.490 28.309 ( 0.778 -0.148 -0.031) 0.792 28.355 ( -0.585 -0.109 0.061) 0.598 28.365 ( 0.377 -0.237 -0.061) 0.449 30.474 ( -0.925 -0.232 1.454) 1.739 30.499 ( -0.622 -0.889 -1.936) 2.219 30.641 ( -0.778 -4.254 0.871) 4.412 30.669 ( 0.968 -4.743 -0.484) 4.865 31.068 ( 0.733 0.177 0.948) 1.211 31.082 ( 0.791 -0.059 -0.919) 1.214 31.568 ( -0.749 0.775 -0.160) 1.090 31.593 ( 0.982 1.106 -1.550) 2.142 31.753 ( -2.601 0.587 0.893) 2.812 31.780 ( 0.793 0.754 2.302) 2.549 31.895 ( -0.321 -0.769 0.578) 1.014 31.945 ( 1.610 -0.175 -3.219) 3.603 32.167 ( -2.847 -0.175 5.966) 6.613 32.293 ( 1.742 0.697 -6.128) 6.409 32.382 ( -1.941 -1.573 1.924) 3.153 32.439 ( 1.179 -2.266 -3.305) 4.177 32.903 ( -5.391 1.956 1.975) 6.066 32.986 ( -0.135 0.059 -1.112) 1.121 33.111 ( -5.296 -2.416 6.458) 8.695 33.246 ( 0.421 -4.015 -4.824) 6.291 33.762 ( -0.169 14.883 -7.549) 16.689 33.785 ( 12.243 14.743 8.977) 21.162 34.027 ( 1.809 4.332 0.602) 4.733 34.081 ( 6.012 4.366 -1.770) 7.638 ======================= Grid point 89 (47/55) ======================= q-point: (-0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 2.970 6.812 -0.446) 7.444 1.253 ( 1.342 7.056 -4.504) 8.477 1.266 ( -2.803 6.293 3.471) 7.714 1.347 ( 2.280 4.663 1.174) 5.322 1.391 ( 4.388 2.665 1.435) 5.330 1.413 ( 2.002 7.332 -2.171) 7.905 1.506 ( 4.472 2.145 -0.458) 4.981 1.540 ( 2.298 1.571 -0.042) 2.784 1.617 ( 1.888 1.402 1.677) 2.889 1.635 ( 2.469 1.758 -0.606) 3.091 1.727 ( -0.161 1.725 0.024) 1.733 1.734 ( 1.044 4.822 -1.108) 5.057 1.857 ( -1.737 8.171 -2.321) 8.670 1.925 ( -1.326 6.368 0.073) 6.505 2.033 ( -1.114 7.619 1.885) 7.927 2.173 ( -0.460 8.860 -4.196) 9.814 2.192 ( -4.153 2.714 7.814) 9.256 2.322 ( -0.225 0.617 -7.221) 7.250 2.375 ( -12.473 7.131 7.904) 16.398 2.532 ( -0.817 7.489 -0.388) 7.544 2.618 ( -3.978 -0.112 -0.617) 4.027 2.717 ( -2.007 0.865 -1.282) 2.534 2.798 ( -3.710 1.542 0.275) 4.027 2.869 ( -2.526 0.567 0.055) 2.589 3.146 ( -0.820 -4.969 -0.671) 5.081 3.189 ( -0.716 -6.590 1.154) 6.728 3.353 ( 0.339 -8.770 1.947) 8.990 3.540 ( 3.874 -9.217 -1.973) 10.191 3.650 ( 0.674 -5.375 -1.387) 5.592 3.720 ( 1.611 -10.308 -3.461) 10.992 3.869 ( -3.169 2.733 3.321) 5.342 3.988 ( 1.406 6.061 -3.741) 7.260 4.097 ( -1.933 2.839 4.016) 5.284 4.209 ( 3.242 -3.560 -5.426) 7.254 4.314 ( -1.110 4.461 -0.935) 4.691 4.355 ( -2.122 -1.556 5.160) 5.792 4.422 ( -0.596 6.262 0.443) 6.306 4.471 ( 0.027 0.722 -0.117) 0.732 4.500 ( 0.986 6.657 0.117) 6.730 4.545 ( 1.447 5.964 -0.146) 6.139 4.646 ( 0.527 0.560 1.239) 1.459 4.670 ( 0.241 2.334 -1.112) 2.596 4.714 ( -0.395 -2.602 -1.471) 3.015 4.762 ( -0.064 -7.803 0.504) 7.820 4.907 ( -0.347 3.996 0.597) 4.055 4.950 ( 1.036 -0.096 1.578) 1.891 4.973 ( -1.242 -3.388 3.969) 5.364 5.020 ( -0.132 -0.247 3.376) 3.388 5.073 ( 2.083 -0.953 -2.882) 3.681 5.122 ( 2.302 -1.701 -0.618) 2.928 5.177 ( -0.776 -4.879 1.864) 5.280 5.244 ( 2.023 -1.941 -2.838) 3.989 5.359 ( -0.952 -0.439 1.538) 1.861 5.388 ( -2.092 -1.375 3.781) 4.535 5.417 ( 2.346 5.370 -2.213) 6.264 5.518 ( 2.642 2.410 0.636) 3.633 5.538 ( 3.845 4.331 -2.914) 6.483 5.564 ( 4.961 4.636 -3.129) 7.477 5.681 ( -1.018 0.979 -0.128) 1.418 5.765 ( 1.339 1.901 -2.786) 3.629 5.863 ( 0.440 0.802 2.382) 2.551 5.888 ( 2.965 5.490 -1.380) 6.390 6.168 ( -1.621 5.335 -1.723) 5.836 6.210 ( 0.103 4.289 0.109) 4.292 6.241 ( -0.031 0.739 4.193) 4.258 6.303 ( -0.928 -1.119 1.621) 2.178 6.466 ( -0.348 2.819 -5.351) 6.058 6.535 ( -1.408 -5.344 4.354) 7.036 6.593 ( 2.632 -4.349 -6.059) 7.909 6.732 ( 0.595 -3.909 1.430) 4.205 6.896 ( -3.232 -1.086 -0.055) 3.410 7.057 ( 4.208 -6.261 2.608) 7.981 12.192 ( 0.940 -2.158 0.068) 2.355 12.199 ( 1.104 -2.325 -0.061) 2.574 12.571 ( -1.299 0.770 0.690) 1.660 12.596 ( -0.439 0.594 -0.821) 1.105 12.868 ( -1.052 2.758 1.583) 3.350 12.923 ( 1.134 1.998 -2.399) 3.321 13.039 ( -1.147 -0.448 0.088) 1.235 13.076 ( -0.242 -0.778 0.775) 1.125 13.375 ( -0.393 0.951 -0.472) 1.132 13.423 ( 0.322 0.863 0.391) 1.001 13.476 ( 0.024 -1.697 -0.048) 1.698 13.504 ( 1.548 -1.327 0.322) 2.064 13.821 ( -0.666 4.815 1.920) 5.226 13.886 ( 1.838 3.029 -3.129) 4.727 14.091 ( -0.667 -0.325 2.857) 2.951 14.138 ( 1.248 -1.994 -1.791) 2.956 16.924 ( 0.575 1.464 0.590) 1.680 16.966 ( 2.093 0.493 -0.288) 2.170 17.105 ( -0.570 2.012 0.012) 2.091 17.137 ( 1.154 0.867 -1.315) 1.953 17.217 ( -0.226 -0.207 0.809) 0.865 17.265 ( 0.303 -0.053 0.198) 0.366 17.322 ( 0.389 -1.002 -1.443) 1.799 17.338 ( 0.859 -0.329 0.852) 1.254 17.426 ( -0.547 0.896 -0.038) 1.050 17.450 ( -0.212 0.435 0.286) 0.562 17.630 ( -0.630 -0.168 0.107) 0.661 17.670 ( -0.416 -0.294 -0.270) 0.577 17.709 ( 1.004 1.103 1.466) 2.091 17.736 ( 1.093 0.559 -0.752) 1.439 17.878 ( -0.748 -0.184 -0.781) 1.097 17.889 ( -0.702 -0.162 0.520) 0.888 18.353 ( -0.368 0.759 0.285) 0.891 18.362 ( -0.468 0.212 -0.231) 0.563 18.454 ( -1.531 -1.832 0.017) 2.388 18.505 ( -0.187 -3.455 -0.255) 3.470 18.639 ( 0.732 0.125 0.110) 0.751 18.679 ( 1.337 -1.534 0.208) 2.045 18.797 ( -1.469 -2.423 -0.339) 2.854 18.823 ( -1.344 -2.943 0.192) 3.241 27.786 ( 0.322 0.372 -0.074) 0.497 27.788 ( 0.348 0.341 0.075) 0.493 27.843 ( -0.760 -1.144 -0.062) 1.375 27.844 ( -0.733 -1.168 0.064) 1.381 28.292 ( -0.062 0.264 -0.004) 0.271 28.322 ( 0.423 0.000 0.009) 0.423 28.346 ( -0.291 -0.377 0.015) 0.476 28.369 ( 0.127 -0.458 -0.010) 0.475 30.454 ( -2.003 0.078 -0.008) 2.005 30.464 ( -1.696 0.500 -0.328) 1.798 30.635 ( -0.397 -4.194 0.444) 4.236 30.686 ( 0.936 -5.299 -0.163) 5.384 31.095 ( 1.663 0.148 0.023) 1.669 31.108 ( 2.345 0.003 0.321) 2.367 31.547 ( -1.103 0.685 -0.564) 1.416 31.597 ( 0.255 0.434 -0.965) 1.089 31.708 ( -2.109 1.855 0.272) 2.822 31.801 ( -0.929 0.947 2.216) 2.582 31.905 ( 1.242 -1.619 -0.255) 2.057 31.939 ( 0.573 0.839 -2.879) 3.053 32.156 ( -3.701 -0.111 5.822) 6.900 32.280 ( 2.150 0.654 -4.813) 5.312 32.343 ( -3.158 -2.149 0.245) 3.828 32.425 ( -0.703 -1.652 -1.205) 2.162 32.827 ( -4.434 2.437 2.641) 5.707 32.956 ( -2.239 0.706 0.570) 2.416 33.048 ( -5.673 -0.581 2.538) 6.242 33.171 ( -3.966 1.891 -3.256) 5.468 33.828 ( 11.525 11.072 -3.665) 16.397 34.067 ( 7.819 5.484 3.028) 10.019 34.124 ( 10.158 2.919 -2.668) 10.901 34.228 ( 11.363 3.126 2.811) 12.116 ======================= Grid point 90 (48/55) ======================= q-point: (-0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 5.350 8.705 -3.910) 10.940 1.216 ( -6.410 11.818 5.872) 14.671 1.258 ( 2.408 11.947 -3.009) 12.553 1.353 ( -0.904 13.611 -1.271) 13.700 1.438 ( 2.101 1.004 1.846) 2.972 1.502 ( 3.975 1.520 -0.342) 4.269 1.550 ( 0.943 1.196 -0.268) 1.547 1.580 ( 2.059 2.542 0.656) 3.336 1.654 ( 1.172 2.233 1.476) 2.922 1.678 ( 1.272 0.555 -1.720) 2.210 1.721 ( -0.058 2.832 1.188) 3.072 1.768 ( 1.329 1.677 0.103) 2.142 1.822 ( 1.403 7.500 -2.897) 8.162 1.894 ( -0.642 4.084 -1.962) 4.576 2.013 ( -0.461 4.362 -3.707) 5.743 2.143 ( 0.845 6.828 -2.654) 7.374 2.208 ( -0.257 4.692 3.947) 6.137 2.237 ( -8.301 7.193 8.025) 13.603 2.276 ( -3.826 1.724 6.171) 7.462 2.508 ( -4.085 -2.327 -3.510) 5.867 2.514 ( -1.747 5.652 -1.580) 6.123 2.632 ( -4.242 2.836 -3.880) 6.410 2.755 ( -2.186 0.740 3.286) 4.016 2.838 ( -0.702 1.035 -1.002) 1.603 3.138 ( 0.307 -6.221 -0.217) 6.232 3.179 ( -1.250 -6.594 0.896) 6.771 3.402 ( 2.579 -8.223 2.775) 9.054 3.563 ( 0.280 -8.676 -1.649) 8.836 3.657 ( 1.206 -5.329 -1.518) 5.671 3.724 ( 1.670 -10.091 -3.707) 10.879 3.851 ( -1.304 3.222 3.328) 4.812 3.983 ( 1.313 6.663 -4.174) 7.972 4.096 ( -2.359 2.415 5.445) 6.406 4.221 ( 1.828 -3.652 -4.045) 5.748 4.295 ( 0.496 5.458 -1.541) 5.693 4.336 ( -2.587 -0.056 2.570) 3.647 4.431 ( 0.023 4.514 2.034) 4.951 4.471 ( 0.226 1.486 0.014) 1.504 4.505 ( -0.426 6.301 0.342) 6.325 4.565 ( 1.172 4.629 -2.422) 5.354 4.655 ( -0.393 0.406 -1.363) 1.476 4.669 ( 1.200 0.640 0.510) 1.452 4.696 ( -0.474 0.026 -0.919) 1.034 4.756 ( -1.324 -2.023 1.025) 2.626 4.923 ( 1.866 2.612 0.319) 3.226 4.971 ( -1.832 -1.580 2.682) 3.611 4.983 ( -0.738 -0.554 4.642) 4.733 5.038 ( -0.250 0.448 2.262) 2.320 5.090 ( 1.608 0.733 -1.733) 2.475 5.139 ( -0.091 0.611 -0.538) 0.820 5.182 ( 0.849 -5.671 -0.543) 5.759 5.249 ( 1.459 -1.218 -3.610) 4.080 5.358 ( -1.362 -0.806 3.766) 4.085 5.391 ( -0.026 -0.275 3.588) 3.598 5.463 ( 2.797 0.944 -0.804) 3.059 5.552 ( 2.768 0.784 -3.749) 4.726 5.590 ( 2.896 2.151 -0.900) 3.718 5.639 ( 2.795 1.690 -2.282) 3.984 5.659 ( 0.151 1.679 0.806) 1.869 5.768 ( 1.659 5.184 -2.934) 6.184 5.880 ( -0.167 0.312 1.181) 1.233 5.925 ( 2.722 4.245 -3.253) 6.000 6.147 ( -0.113 4.991 0.560) 5.023 6.210 ( -0.173 3.775 -0.403) 3.801 6.266 ( 1.048 -0.935 -0.064) 1.406 6.324 ( -1.026 -1.710 7.239) 7.508 6.398 ( -3.104 1.531 -1.811) 3.906 6.520 ( -1.908 -1.977 -0.285) 2.762 6.618 ( 3.818 -5.096 -3.706) 7.367 6.713 ( -2.450 -3.908 -0.245) 4.619 6.875 ( 0.132 -1.211 3.486) 3.692 7.137 ( 2.770 -11.711 -1.694) 12.152 12.211 ( 1.078 -2.188 -0.068) 2.440 12.218 ( 0.760 -2.365 0.088) 2.486 12.554 ( -1.058 0.820 0.656) 1.491 12.579 ( -0.546 0.627 -1.018) 1.314 12.865 ( -0.756 2.419 1.906) 3.170 12.924 ( 1.030 1.542 -2.332) 2.980 13.026 ( -0.818 -0.381 1.074) 1.403 13.069 ( -0.561 -0.890 -0.289) 1.091 13.374 ( 0.418 1.367 -0.045) 1.430 13.423 ( -0.303 1.488 -0.778) 1.707 13.484 ( 0.438 -1.794 1.297) 2.257 13.530 ( 0.884 -1.836 -0.017) 2.038 13.825 ( -0.627 4.941 1.966) 5.355 13.891 ( 1.525 3.403 -3.413) 5.055 14.102 ( -0.590 -0.608 2.698) 2.828 14.147 ( 1.134 -2.383 -1.643) 3.108 16.945 ( 0.804 1.707 1.360) 2.326 16.998 ( 1.639 0.481 -0.860) 1.912 17.093 ( -0.500 1.985 0.174) 2.055 17.143 ( 0.641 0.859 -1.934) 2.211 17.229 ( 0.784 -0.746 0.389) 1.150 17.260 ( -0.889 -1.195 0.140) 1.496 17.332 ( 1.724 0.236 -0.706) 1.878 17.360 ( 0.716 0.207 0.420) 0.856 17.418 ( -0.480 0.431 0.312) 0.716 17.438 ( -1.089 0.240 -0.101) 1.120 17.624 ( 0.151 0.092 -0.255) 0.311 17.656 ( -0.952 -0.311 -0.044) 1.002 17.741 ( -0.136 -0.363 2.862) 2.888 17.749 ( 1.924 0.145 -1.858) 2.679 17.862 ( -0.058 -0.018 -0.952) 0.954 17.874 ( -1.415 -0.582 0.601) 1.644 18.346 ( -0.413 1.112 -0.292) 1.221 18.353 ( -0.408 0.638 0.284) 0.809 18.435 ( -0.814 -1.040 0.765) 1.526 18.491 ( -0.611 -2.951 -1.120) 3.216 18.667 ( 2.188 -0.181 0.315) 2.217 18.705 ( 1.103 -1.834 0.685) 2.247 18.768 ( -1.580 -2.218 -0.286) 2.739 18.789 ( -2.166 -2.585 -0.246) 3.382 27.794 ( 0.680 0.097 -0.020) 0.687 27.797 ( 0.604 0.070 0.021) 0.608 27.826 ( -0.947 -0.806 -0.053) 1.244 27.829 ( -1.014 -0.818 0.057) 1.304 28.295 ( 0.361 0.423 0.008) 0.556 28.318 ( -0.688 0.446 0.016) 0.820 28.351 ( 0.673 -0.890 -0.003) 1.116 28.369 ( -0.180 -0.733 -0.004) 0.754 30.418 ( -1.327 1.260 -0.289) 1.853 30.436 ( -1.521 1.465 0.258) 2.128 30.636 ( -0.085 -4.350 0.983) 4.460 30.694 ( 0.335 -5.633 -0.950) 5.723 31.129 ( 1.724 0.334 0.568) 1.846 31.155 ( 2.155 -0.317 0.101) 2.180 31.525 ( -0.518 0.224 -0.652) 0.862 31.573 ( -1.896 -0.297 -1.025) 2.176 31.706 ( 1.571 3.112 0.669) 3.550 31.781 ( -2.573 2.261 1.103) 3.599 31.919 ( 0.821 -0.734 -2.392) 2.633 31.932 ( 0.217 -1.562 0.090) 1.579 32.138 ( -1.893 1.421 3.687) 4.382 32.263 ( -3.094 0.724 -1.015) 3.336 32.317 ( 2.680 -2.002 -1.558) 3.690 32.399 ( -1.997 -1.951 0.574) 2.850 32.786 ( -2.007 1.718 1.579) 3.078 32.906 ( -4.756 -0.304 0.213) 4.770 32.987 ( 0.729 4.629 -1.803) 5.020 33.089 ( -3.809 4.285 0.222) 5.737 34.037 ( 9.877 6.715 1.379) 12.023 34.175 ( 4.713 1.299 -1.809) 5.213 34.250 ( 6.867 -0.415 -0.907) 6.940 34.470 ( 9.226 -1.254 1.033) 9.368 ======================= Grid point 91 (49/55) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -3.370 7.486 2.269) 8.517 1.416 ( 2.367 4.463 -0.860) 5.125 1.447 ( 0.954 1.172 1.025) 1.826 1.481 ( -0.676 0.820 -1.950) 2.220 1.521 ( 2.061 3.127 0.647) 3.800 1.544 ( -0.666 0.947 -1.548) 1.933 1.569 ( 2.297 -0.553 0.714) 2.468 1.582 ( -2.408 -0.914 -0.394) 2.606 1.741 ( 0.308 2.410 0.091) 2.431 1.749 ( -1.119 3.462 -0.780) 3.721 1.766 ( -1.725 0.338 1.349) 2.216 1.798 ( 1.014 -0.038 -1.502) 1.813 1.908 ( -2.698 6.861 5.912) 9.450 2.005 ( 3.035 3.369 -1.546) 4.791 2.096 ( 1.914 3.357 3.116) 4.964 2.140 ( -2.624 4.434 -1.870) 5.481 2.242 ( 0.695 -2.416 2.135) 3.298 2.262 ( -2.505 -5.913 1.556) 6.608 2.341 ( -0.897 4.860 -1.624) 5.202 2.434 ( 3.077 -0.498 -5.820) 6.602 2.603 ( -0.675 7.650 2.662) 8.128 2.674 ( 0.976 5.942 -3.013) 6.733 2.753 ( 0.222 -0.542 2.265) 2.340 2.803 ( 0.355 -3.700 -2.068) 4.253 3.009 ( -0.510 -4.852 0.688) 4.927 3.031 ( 0.740 -6.767 -0.720) 6.846 3.334 ( -0.390 -2.048 1.646) 2.656 3.386 ( 0.885 -6.462 -2.788) 7.093 3.576 ( -1.361 -1.066 1.366) 2.204 3.618 ( 2.095 -2.538 -3.012) 4.462 3.894 ( -2.149 -0.691 6.398) 6.784 4.007 ( 1.671 -8.986 -4.312) 10.106 4.058 ( -0.893 1.082 0.024) 1.403 4.087 ( 0.955 -1.045 -2.425) 2.808 4.334 ( -0.849 5.274 3.164) 6.208 4.400 ( 0.956 0.661 -2.714) 2.952 4.499 ( 0.371 2.552 0.949) 2.748 4.532 ( 0.218 0.483 -0.951) 1.088 4.591 ( -0.910 2.776 -0.054) 2.922 4.629 ( -0.232 3.470 -2.348) 4.196 4.636 ( -1.765 -0.875 2.669) 3.317 4.676 ( 0.767 -1.670 -0.586) 1.929 4.753 ( 0.473 0.835 1.158) 1.504 4.761 ( 0.907 0.491 0.061) 1.033 4.937 ( -1.841 1.051 4.304) 4.798 4.983 ( -0.063 1.741 -0.506) 1.814 4.993 ( -0.366 -2.030 2.118) 2.957 5.022 ( -0.789 -2.245 1.091) 2.618 5.113 ( -1.708 1.813 2.960) 3.869 5.139 ( -1.127 0.425 2.495) 2.771 5.217 ( 2.063 2.138 -2.626) 3.965 5.233 ( 2.277 0.294 -5.079) 5.574 5.356 ( -1.271 -0.543 3.866) 4.105 5.371 ( -1.725 -2.242 4.012) 4.909 5.493 ( 1.433 0.953 -3.140) 3.581 5.510 ( -0.074 -0.813 -3.059) 3.166 5.635 ( -0.022 1.836 -0.380) 1.875 5.657 ( 0.329 0.447 -1.811) 1.894 5.771 ( 1.335 3.557 -1.871) 4.235 5.829 ( 3.339 -1.587 -6.219) 7.235 6.014 ( -1.526 8.554 2.929) 9.169 6.053 ( -0.585 5.275 -0.698) 5.353 6.229 ( 0.518 1.041 0.630) 1.322 6.236 ( -0.082 -0.466 -0.251) 0.536 6.283 ( -2.716 2.118 4.152) 5.394 6.325 ( -1.282 3.179 2.997) 4.553 6.371 ( -0.850 0.355 1.701) 1.934 6.488 ( 3.503 -1.413 -5.820) 6.939 6.519 ( 0.052 -7.315 1.303) 7.431 6.563 ( 1.772 -6.819 -3.037) 7.672 6.862 ( -1.292 -0.861 3.832) 4.134 6.920 ( -0.544 -6.314 -1.815) 6.592 12.191 ( -0.123 -0.762 0.088) 0.777 12.192 ( 0.122 -0.913 -0.061) 0.923 12.564 ( -0.177 0.754 0.335) 0.844 12.573 ( 0.167 -0.118 -0.546) 0.583 12.911 ( -0.353 1.859 1.448) 2.383 12.938 ( 0.853 -0.529 -1.010) 1.424 13.018 ( -0.476 0.260 0.591) 0.802 13.034 ( -0.034 -1.132 -0.866) 1.425 13.412 ( 0.037 1.217 0.579) 1.349 13.426 ( -0.030 0.109 -0.832) 0.840 13.480 ( 0.246 -0.349 0.835) 0.938 13.494 ( -0.171 -1.444 -0.508) 1.540 13.921 ( -0.181 3.316 0.901) 3.441 13.943 ( 0.208 1.304 -1.116) 1.729 14.092 ( -0.548 -0.284 0.833) 1.036 14.108 ( 0.482 -1.787 -0.667) 1.968 17.002 ( -0.163 1.574 0.921) 1.831 17.017 ( -0.022 0.153 -0.443) 0.469 17.123 ( 0.152 1.023 0.107) 1.040 17.137 ( 0.069 -0.276 -1.233) 1.266 17.230 ( -0.152 -0.377 0.015) 0.407 17.230 ( 0.291 -0.446 -0.028) 0.534 17.358 ( -0.382 0.428 0.770) 0.960 17.366 ( 0.169 -0.350 0.070) 0.395 17.425 ( 0.036 0.500 -0.026) 0.502 17.429 ( 0.057 0.118 -0.380) 0.402 17.629 ( -0.504 -0.150 0.023) 0.526 17.631 ( 0.501 -0.330 -0.108) 0.610 17.735 ( -0.922 0.593 1.065) 1.528 17.757 ( 0.969 -1.504 -0.979) 2.040 17.852 ( -0.520 0.584 0.442) 0.898 17.862 ( 0.414 -0.295 -0.459) 0.684 18.376 ( -0.025 1.666 0.097) 1.669 18.378 ( 0.028 1.971 -0.088) 1.973 18.409 ( -0.070 -1.547 0.699) 1.699 18.424 ( 0.074 -2.428 -0.685) 2.524 18.690 ( -0.115 -0.414 0.339) 0.548 18.697 ( 0.120 -1.074 -0.302) 1.122 18.713 ( -0.046 -0.271 0.448) 0.525 18.722 ( 0.033 -1.197 -0.393) 1.260 27.804 ( -0.304 -0.116 0.017) 0.326 27.805 ( 0.366 -0.158 -0.025) 0.399 27.805 ( 0.250 -0.085 0.023) 0.265 27.806 ( -0.312 -0.134 -0.013) 0.340 28.318 ( 0.012 0.847 0.112) 0.855 28.320 ( -0.013 0.851 -0.102) 0.857 28.342 ( -0.036 -0.991 0.093) 0.996 28.344 ( 0.037 -0.955 -0.086) 0.960 30.463 ( 0.098 3.496 0.628) 3.554 30.477 ( -0.015 3.770 -0.725) 3.840 30.551 ( 0.005 -4.558 1.161) 4.704 30.574 ( -0.060 -5.191 -1.029) 5.293 31.159 ( -0.041 0.181 0.696) 0.720 31.165 ( -0.241 -0.371 0.193) 0.483 31.523 ( 0.443 0.424 -0.850) 1.048 31.535 ( 0.798 -0.626 -2.106) 2.337 31.789 ( -2.270 2.119 1.824) 3.602 31.802 ( 0.296 1.433 0.866) 1.701 31.882 ( -0.342 -0.864 1.140) 1.471 31.902 ( 0.673 -1.912 -0.785) 2.174 32.179 ( -0.378 1.467 1.665) 2.251 32.204 ( -0.459 -0.644 -0.800) 1.125 32.325 ( 0.225 -0.402 -0.946) 1.052 32.346 ( 3.083 -2.066 -2.789) 4.643 32.802 ( -1.463 1.301 3.065) 3.636 32.828 ( -1.669 -1.033 1.296) 2.352 33.077 ( 0.177 2.095 -0.661) 2.204 33.096 ( 1.041 0.362 -2.070) 2.346 34.244 ( 0.608 5.318 1.484) 5.555 34.278 ( -0.581 6.396 -1.574) 6.613 34.339 ( 2.798 -3.292 3.657) 5.661 34.413 ( -2.729 -5.682 -3.325) 7.127 ======================= Grid point 92 (50/55) ======================= q-point: ( 0.14 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.940 6.687 -0.008) 7.305 1.409 ( -3.009 -0.783 -0.228) 3.117 1.432 ( -2.299 2.037 -0.778) 3.168 1.438 ( -4.510 1.721 2.067) 5.251 1.512 ( -1.025 0.956 -0.769) 1.599 1.520 ( -2.155 0.289 -0.336) 2.200 1.564 ( -0.805 3.668 -0.358) 3.772 1.611 ( 0.879 -0.880 1.145) 1.690 1.661 ( -3.824 2.014 0.152) 4.325 1.694 ( -6.439 -0.894 0.157) 6.502 1.764 ( -0.047 2.009 -0.097) 2.012 1.784 ( -0.853 0.279 0.772) 1.184 1.953 ( 1.003 10.824 5.772) 12.308 2.069 ( 5.508 2.768 -4.315) 7.524 2.135 ( 3.779 6.434 -0.602) 7.486 2.174 ( 3.756 8.299 1.157) 9.183 2.259 ( -2.165 2.731 3.810) 5.163 2.294 ( 4.859 -5.268 -0.756) 7.207 2.384 ( 7.253 -2.775 0.006) 7.765 2.438 ( 3.486 -4.456 -6.250) 8.430 2.636 ( 1.190 7.739 3.660) 8.643 2.688 ( 3.100 6.360 -3.345) 7.826 2.788 ( 1.808 -0.804 1.280) 2.356 2.804 ( 1.570 -4.402 -1.887) 5.040 3.009 ( 0.386 -3.349 0.228) 3.379 3.058 ( 2.158 -7.253 -0.232) 7.570 3.320 ( -2.066 -1.933 1.051) 3.018 3.370 ( -0.648 -5.877 -2.537) 6.434 3.554 ( -1.610 -0.726 0.944) 2.002 3.621 ( 0.779 -3.875 -2.512) 4.683 3.898 ( -2.761 -1.574 5.746) 6.566 4.008 ( 2.347 -7.277 -4.950) 9.109 4.051 ( 0.251 3.184 0.644) 3.258 4.096 ( 1.030 -3.460 -1.063) 3.763 4.336 ( -1.530 4.610 2.776) 5.594 4.383 ( -0.107 0.606 -2.747) 2.815 4.520 ( 1.126 1.505 0.350) 1.912 4.528 ( 0.327 1.088 -1.184) 1.641 4.579 ( -1.500 2.641 2.414) 3.880 4.601 ( -1.592 2.551 0.560) 3.059 4.630 ( -0.897 -0.071 1.639) 1.870 4.676 ( -0.579 -3.024 -0.755) 3.170 4.742 ( -0.595 1.854 -1.945) 2.752 4.766 ( -0.818 0.265 -0.520) 1.005 4.921 ( -3.556 0.863 4.245) 5.605 4.975 ( -1.632 -1.157 0.090) 2.003 4.982 ( -0.970 -0.110 1.342) 1.659 5.024 ( -0.083 -0.935 0.847) 1.264 5.112 ( -1.757 1.251 4.412) 4.911 5.127 ( -2.059 0.644 2.063) 2.985 5.215 ( 0.605 1.838 -3.883) 4.338 5.234 ( 1.662 0.126 -4.897) 5.173 5.354 ( -2.116 -0.740 3.016) 3.758 5.364 ( -1.740 -1.220 3.447) 4.049 5.495 ( 2.016 2.374 -2.296) 3.869 5.528 ( 3.097 -0.528 -1.492) 3.478 5.620 ( -1.349 1.983 -1.001) 2.599 5.640 ( -0.973 -0.561 0.491) 1.226 5.748 ( -0.598 4.244 -4.665) 6.335 5.813 ( 0.260 -1.772 -5.377) 5.667 6.012 ( -1.501 7.889 3.309) 8.686 6.032 ( -1.683 6.146 1.140) 6.474 6.237 ( 0.618 1.907 -0.436) 2.051 6.245 ( 0.879 0.802 -0.766) 1.415 6.269 ( -1.916 2.018 3.398) 4.392 6.318 ( -2.180 -0.285 4.275) 4.807 6.386 ( 0.787 -0.040 1.580) 1.766 6.502 ( -1.183 -5.280 -0.581) 5.442 6.519 ( 4.422 -2.655 -7.347) 8.977 6.585 ( 2.160 -7.114 -1.890) 7.671 6.860 ( -1.759 0.063 3.014) 3.490 6.919 ( 1.035 -5.444 0.648) 5.579 12.180 ( -0.998 -0.563 0.063) 1.148 12.186 ( -0.769 -1.093 -0.055) 1.338 12.570 ( 0.581 0.791 0.340) 1.039 12.581 ( 0.980 -0.180 -0.361) 1.060 12.914 ( -0.352 2.094 0.721) 2.242 12.945 ( 1.004 -0.697 -1.632) 2.039 13.021 ( 0.080 0.264 0.950) 0.989 13.038 ( 0.893 -1.117 0.019) 1.430 13.407 ( -0.595 1.447 -0.090) 1.567 13.428 ( 0.361 -0.234 -0.015) 0.431 13.479 ( -0.852 -0.732 -0.698) 1.323 13.484 ( -0.614 -0.967 0.675) 1.330 13.920 ( -0.657 2.888 0.724) 3.049 13.935 ( -0.137 1.529 -0.838) 1.749 14.086 ( -0.750 0.091 0.796) 1.097 14.111 ( 0.357 -1.885 -0.633) 2.020 16.991 ( -1.602 1.053 0.763) 2.064 16.998 ( -1.490 0.428 -0.402) 1.601 17.133 ( 0.769 1.025 -0.161) 1.291 17.140 ( 0.587 0.346 -0.445) 0.814 17.222 ( -0.356 -0.248 -0.168) 0.465 17.230 ( -0.023 -1.108 -0.030) 1.109 17.344 ( -1.492 1.266 0.374) 1.993 17.362 ( -0.735 -0.584 0.236) 0.968 17.432 ( 0.751 0.179 -0.339) 0.843 17.435 ( 0.684 -0.009 0.045) 0.685 17.624 ( 0.013 0.594 0.043) 0.596 17.643 ( 0.765 -1.177 -0.041) 1.404 17.726 ( -0.804 1.492 0.721) 1.842 17.761 ( 0.169 -2.036 -0.706) 2.162 17.854 ( 0.423 1.092 0.359) 1.225 17.873 ( 0.969 -0.724 -0.285) 1.243 18.375 ( -0.080 1.613 0.093) 1.617 18.381 ( 0.380 2.003 -0.087) 2.041 18.412 ( -0.042 -1.971 0.232) 1.985 18.427 ( 0.564 -2.296 -0.250) 2.377 18.668 ( -1.509 0.095 0.053) 1.513 18.678 ( -1.244 -1.084 0.010) 1.650 18.738 ( 1.454 -0.657 -0.048) 1.597 18.745 ( 1.866 -1.287 0.022) 2.267 27.800 ( -0.195 0.445 -0.011) 0.486 27.802 ( -0.107 0.424 0.011) 0.438 27.811 ( 0.374 -0.666 -0.019) 0.764 27.814 ( 0.515 -0.717 0.020) 0.883 28.308 ( -0.527 0.845 0.001) 0.995 28.325 ( -0.319 -0.382 0.002) 0.498 28.338 ( 0.338 0.194 0.009) 0.390 28.352 ( 0.476 -0.869 -0.009) 0.991 30.467 ( 0.193 3.436 -0.049) 3.442 30.484 ( 1.105 3.119 -0.158) 3.312 30.557 ( -0.219 -4.593 0.367) 4.613 30.572 ( 0.525 -4.680 -0.205) 4.714 31.140 ( -2.215 0.130 0.190) 2.227 31.145 ( -1.911 -0.297 0.433) 1.982 31.537 ( 1.913 0.758 -1.165) 2.364 31.554 ( 2.564 -0.946 -1.816) 3.281 31.758 ( -2.360 2.866 2.089) 4.260 31.802 ( -1.212 -0.846 2.074) 2.547 31.890 ( -0.037 -0.453 0.387) 0.597 31.906 ( 0.405 -1.094 -0.895) 1.470 32.190 ( 0.920 1.907 1.677) 2.701 32.229 ( 2.574 -1.586 0.914) 3.158 32.313 ( 0.412 1.975 -3.178) 3.764 32.382 ( 3.175 -4.250 -4.531) 6.977 32.811 ( 0.007 1.450 3.388) 3.686 32.842 ( 1.159 -1.091 3.574) 3.913 33.068 ( 0.468 3.678 -1.252) 3.913 33.124 ( 2.807 -1.769 -1.628) 3.696 34.196 ( -6.056 4.369 -1.251) 7.572 34.229 ( -5.387 5.832 -0.348) 7.947 34.280 ( -6.514 -0.262 -1.880) 6.784 34.372 ( -2.798 -4.772 3.273) 6.428 ======================= Grid point 93 (51/55) ======================= q-point: ( 0.29 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -2.719 4.652 -1.418) 5.572 1.327 ( -4.017 -0.633 -1.456) 4.320 1.350 ( -6.863 2.125 2.750) 7.693 1.371 ( -4.709 0.098 1.585) 4.970 1.458 ( -4.012 1.132 1.441) 4.411 1.495 ( -2.708 -1.409 0.702) 3.132 1.525 ( -0.842 3.098 -2.355) 3.982 1.568 ( -3.083 0.035 -1.855) 3.599 1.631 ( -0.848 0.188 0.866) 1.227 1.641 ( -0.976 -0.582 3.549) 3.726 1.754 ( -0.683 2.723 -0.472) 2.847 1.773 ( -1.045 1.157 0.710) 1.713 2.018 ( 1.189 11.862 5.243) 13.023 2.132 ( 5.621 3.407 -5.045) 8.286 2.165 ( -2.644 5.084 3.435) 6.681 2.257 ( 5.957 5.258 -6.210) 10.084 2.286 ( 2.030 9.269 4.748) 10.611 2.382 ( 6.367 -1.424 -3.910) 7.606 2.493 ( 6.857 -3.887 -1.893) 8.106 2.537 ( 7.153 -4.485 -0.038) 8.443 2.689 ( 0.688 5.227 4.146) 6.707 2.724 ( 3.925 6.354 -3.651) 8.313 2.824 ( 2.155 -4.084 -1.102) 4.747 2.841 ( 3.263 -3.190 0.030) 4.564 3.026 ( 0.843 -1.451 0.947) 1.927 3.092 ( 1.621 -6.928 -0.342) 7.124 3.282 ( -1.963 -1.493 -0.748) 2.577 3.324 ( -2.498 -5.325 -1.259) 6.015 3.544 ( -0.263 -1.106 0.992) 1.509 3.617 ( 0.889 -4.090 -2.200) 4.729 3.887 ( -3.045 -1.957 5.015) 6.185 4.006 ( 2.200 -7.269 -5.976) 9.664 4.072 ( 1.263 2.992 0.273) 3.259 4.101 ( -0.222 -2.728 0.498) 2.782 4.329 ( -1.208 3.235 2.068) 4.025 4.366 ( 0.426 -0.735 -1.973) 2.148 4.522 ( 0.035 1.533 0.132) 1.539 4.539 ( 0.571 0.577 -0.722) 1.086 4.565 ( -2.440 2.165 3.036) 4.456 4.587 ( -2.128 2.320 3.212) 4.498 4.630 ( -0.644 -0.662 1.767) 1.994 4.652 ( -0.721 -1.823 -0.676) 2.073 4.712 ( -0.318 0.659 -3.016) 3.104 4.725 ( -2.097 -0.794 -2.132) 3.094 4.887 ( -3.614 0.196 4.102) 5.471 4.934 ( -3.671 -3.931 1.988) 5.734 4.981 ( 0.134 3.296 -0.247) 3.308 5.025 ( -0.258 -0.287 0.262) 0.467 5.102 ( -2.114 1.155 1.517) 2.847 5.114 ( -1.737 -0.231 3.961) 4.331 5.183 ( -0.422 2.082 -3.965) 4.498 5.211 ( 0.289 -0.680 -4.508) 4.569 5.342 ( -1.565 0.746 3.194) 3.634 5.364 ( -0.954 -0.945 2.487) 2.827 5.529 ( 2.808 4.075 -0.928) 5.036 5.573 ( 2.548 0.800 -1.190) 2.924 5.586 ( -1.194 3.177 -0.761) 3.478 5.634 ( -0.655 -1.397 1.415) 2.093 5.694 ( -0.024 4.131 -6.708) 7.878 5.768 ( -0.525 -2.464 -4.401) 5.071 6.008 ( -2.158 7.391 4.056) 8.702 6.018 ( -1.203 8.602 2.143) 8.946 6.232 ( -1.046 0.049 0.705) 1.262 6.256 ( 0.941 2.170 0.166) 2.371 6.272 ( 0.185 3.834 0.269) 3.848 6.316 ( -1.502 -2.560 3.097) 4.290 6.404 ( -0.351 -3.887 0.422) 3.926 6.470 ( -1.464 -6.981 -2.349) 7.510 6.527 ( 3.225 0.768 -5.296) 6.248 6.612 ( 1.670 -6.659 -0.543) 6.886 6.865 ( -0.264 2.497 2.982) 3.898 6.946 ( 1.031 -5.411 0.468) 5.528 12.161 ( -1.041 -0.464 0.105) 1.144 12.168 ( -0.941 -1.155 -0.119) 1.494 12.587 ( 0.764 0.778 0.367) 1.151 12.598 ( 0.978 -0.250 -0.231) 1.035 12.913 ( -0.122 2.329 0.609) 2.410 12.949 ( 0.914 -0.919 -1.570) 2.035 13.032 ( 0.318 0.871 0.691) 1.156 13.058 ( 0.939 -1.401 0.140) 1.692 13.398 ( -0.150 1.623 -0.118) 1.634 13.433 ( 0.111 -1.386 0.162) 1.400 13.456 ( -0.992 0.241 -0.735) 1.258 13.471 ( -1.149 -1.130 0.383) 1.656 13.912 ( -0.637 2.534 0.413) 2.645 13.926 ( -0.390 1.486 -0.119) 1.541 14.080 ( -0.653 0.588 0.850) 1.222 14.110 ( 0.264 -1.811 -0.882) 2.031 16.965 ( -1.425 0.739 0.086) 1.607 16.967 ( -1.515 0.567 0.013) 1.617 17.138 ( -0.533 0.955 0.324) 1.141 17.142 ( 0.214 0.732 -0.262) 0.806 17.221 ( 0.500 -0.017 -0.243) 0.556 17.238 ( 0.787 -1.675 0.123) 1.855 17.315 ( -1.718 1.860 0.117) 2.535 17.346 ( -1.058 -1.088 -0.222) 1.534 17.442 ( 0.640 0.516 -0.169) 0.839 17.451 ( 0.641 -0.247 0.318) 0.757 17.628 ( 0.295 0.880 0.151) 0.940 17.654 ( 0.487 -1.509 -0.309) 1.616 17.720 ( -0.385 1.923 0.634) 2.061 17.754 ( -0.292 -1.528 -0.487) 1.630 17.869 ( 0.764 0.965 0.330) 1.274 17.888 ( 0.831 -0.837 -0.309) 1.220 18.375 ( -0.048 1.430 0.176) 1.442 18.387 ( 0.432 1.807 -0.420) 1.905 18.415 ( 0.195 -2.112 0.346) 2.149 18.435 ( 0.453 -2.558 -0.077) 2.599 18.648 ( -0.683 0.410 -0.020) 0.797 18.658 ( -0.889 -0.801 -0.021) 1.197 18.762 ( 1.211 -0.626 -0.048) 1.364 18.774 ( 1.177 -1.749 0.039) 2.108 27.797 ( -0.076 0.876 0.029) 0.879 27.801 ( 0.031 0.858 -0.028) 0.859 27.818 ( 0.306 -1.095 0.059) 1.138 27.823 ( 0.457 -1.196 -0.058) 1.282 28.301 ( -0.263 0.597 -0.004) 0.652 28.314 ( -0.629 -0.654 -0.002) 0.907 28.348 ( 0.595 0.475 0.003) 0.761 28.359 ( 0.253 -0.554 -0.011) 0.609 30.475 ( 0.534 2.784 0.189) 2.841 30.503 ( 1.122 2.021 -0.474) 2.360 30.556 ( 0.004 -3.830 0.152) 3.833 30.581 ( 0.328 -4.217 0.028) 4.230 31.099 ( -2.240 0.444 0.239) 2.296 31.109 ( -2.016 -0.514 0.086) 2.082 31.565 ( 2.084 0.867 -1.297) 2.603 31.584 ( 2.019 -0.972 -1.833) 2.895 31.745 ( -0.832 3.049 2.325) 3.924 31.802 ( -0.997 -1.751 3.069) 3.672 31.882 ( -0.702 -0.258 0.152) 0.763 31.902 ( -0.625 -1.190 0.270) 1.371 32.236 ( 2.360 3.055 0.314) 3.873 32.289 ( 1.283 1.306 -4.525) 4.881 32.297 ( 2.822 -1.080 2.002) 3.625 32.377 ( 0.605 -5.322 -5.092) 7.391 32.863 ( 2.449 1.852 3.335) 4.533 32.914 ( 2.723 -2.631 4.245) 5.689 33.080 ( 1.879 4.312 -1.158) 4.844 33.158 ( 2.257 -3.326 -1.918) 4.453 34.022 ( -9.915 6.657 -1.753) 12.070 34.088 ( -7.421 -0.068 1.046) 7.495 34.201 ( -3.904 6.275 0.509) 7.408 34.295 ( -6.621 -2.212 0.077) 6.981 ======================= Grid point 94 (52/55) ======================= q-point: ( 0.43 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.826 2.938 -0.196) 3.059 1.249 ( -4.660 1.763 1.798) 5.297 1.280 ( -1.406 0.276 0.300) 1.464 1.299 ( -3.589 -1.071 1.498) 4.034 1.406 ( -3.101 1.054 0.810) 3.373 1.438 ( -0.552 -0.033 -1.725) 1.812 1.515 ( 0.393 1.214 -0.384) 1.333 1.542 ( 0.267 0.690 -1.169) 1.384 1.632 ( -0.125 0.967 1.715) 1.973 1.657 ( -0.278 -0.220 2.572) 2.596 1.740 ( -0.318 2.011 -0.134) 2.041 1.761 ( -0.607 0.682 0.202) 0.935 2.062 ( -1.203 10.501 4.990) 11.689 2.131 ( -4.935 3.094 6.617) 8.816 2.179 ( 4.685 7.417 -7.090) 11.280 2.293 ( 5.578 -1.762 -9.183) 10.888 2.354 ( 1.522 11.244 2.714) 11.667 2.451 ( 3.631 5.409 -3.987) 7.638 2.588 ( 2.962 -5.514 0.709) 6.299 2.611 ( 0.342 -3.475 1.197) 3.692 2.713 ( -1.128 6.011 3.191) 6.899 2.771 ( 4.546 6.525 -4.406) 9.091 2.857 ( 0.879 -4.957 1.392) 5.223 2.897 ( 2.656 -3.319 -1.616) 4.547 3.047 ( 0.024 -1.138 2.167) 2.448 3.104 ( 0.140 -5.622 -0.710) 5.668 3.248 ( -1.926 -2.649 0.597) 3.329 3.280 ( 0.507 -5.311 -3.043) 6.142 3.557 ( 0.389 -1.022 1.415) 1.788 3.614 ( 0.596 -2.152 -2.391) 3.271 3.872 ( -2.730 -3.826 4.768) 6.695 3.994 ( 2.097 -9.960 -6.693) 12.182 4.092 ( -0.282 1.123 1.152) 1.633 4.101 ( 0.985 1.969 -0.573) 2.275 4.326 ( -1.005 1.902 2.100) 3.006 4.366 ( 1.044 -1.421 -1.878) 2.576 4.522 ( -2.061 2.412 3.209) 4.513 4.542 ( -0.019 1.709 0.190) 1.720 4.547 ( -1.623 0.864 2.881) 3.418 4.569 ( -0.544 -0.425 0.667) 0.960 4.639 ( 0.032 -0.794 1.252) 1.482 4.641 ( -0.097 -1.000 -0.256) 1.037 4.679 ( -0.756 -0.175 -1.859) 2.014 4.690 ( 0.368 -0.634 -2.379) 2.489 4.862 ( -2.351 -1.547 3.398) 4.412 4.883 ( -2.796 -3.020 1.719) 4.461 4.981 ( -0.327 3.346 0.462) 3.394 5.019 ( -0.152 0.496 -0.825) 0.975 5.084 ( -1.051 1.511 1.574) 2.422 5.114 ( -1.049 -0.959 2.540) 2.910 5.149 ( 0.174 2.785 -3.382) 4.385 5.189 ( 1.068 -1.258 -3.713) 4.063 5.345 ( -1.591 1.087 4.256) 4.672 5.367 ( -0.865 -0.912 2.663) 2.945 5.559 ( 0.589 4.687 -2.026) 5.140 5.572 ( 0.278 4.478 0.902) 4.576 5.596 ( 1.578 1.998 -2.580) 3.624 5.636 ( 1.830 4.160 -3.914) 5.998 5.659 ( 0.291 -1.345 -1.660) 2.157 5.734 ( 0.403 -3.209 -4.047) 5.181 6.003 ( -2.060 8.590 4.649) 9.983 6.020 ( -0.483 9.791 2.212) 10.049 6.230 ( -0.374 -0.895 2.086) 2.301 6.273 ( 0.380 3.295 -0.667) 3.384 6.277 ( 0.498 0.623 1.051) 1.319 6.304 ( -1.909 -2.281 1.404) 3.289 6.388 ( 0.091 -5.116 -3.997) 6.493 6.412 ( -1.356 -6.436 -2.133) 6.914 6.569 ( 3.103 0.277 -0.406) 3.142 6.624 ( 0.009 -4.313 -0.677) 4.366 6.888 ( -0.240 1.898 3.307) 3.821 6.956 ( 0.229 -4.525 -1.066) 4.654 12.148 ( -0.429 -0.509 0.179) 0.690 12.154 ( -0.389 -1.081 -0.198) 1.166 12.600 ( 0.240 0.669 0.434) 0.833 12.609 ( 0.455 -0.205 -0.305) 0.585 12.920 ( -0.020 2.456 1.240) 2.751 12.955 ( 0.848 -0.584 -1.285) 1.647 13.039 ( -0.017 0.769 0.509) 0.923 13.066 ( 0.075 -1.451 -0.752) 1.636 13.402 ( 0.517 1.290 0.282) 1.418 13.433 ( -0.837 0.651 -0.704) 1.273 13.437 ( 0.222 -1.734 0.149) 1.754 13.453 ( -0.826 -1.153 -0.014) 1.418 13.908 ( -0.302 2.533 0.734) 2.655 13.920 ( -0.101 1.531 -0.064) 1.536 14.077 ( -0.450 0.668 0.977) 1.266 14.106 ( 0.247 -1.703 -1.222) 2.110 16.946 ( -0.791 0.674 0.219) 1.062 16.947 ( -0.408 0.626 -0.241) 0.785 17.132 ( -0.313 0.993 0.464) 1.140 17.141 ( 0.003 0.308 -0.206) 0.370 17.234 ( 0.901 0.114 -0.013) 0.909 17.249 ( 0.006 -1.078 0.047) 1.079 17.293 ( -0.678 1.404 0.457) 1.625 17.324 ( -0.708 -1.433 -0.953) 1.861 17.452 ( 0.398 0.713 0.247) 0.853 17.460 ( 0.105 0.092 0.187) 0.233 17.635 ( 0.115 0.605 0.345) 0.706 17.655 ( 0.145 -1.286 -0.837) 1.541 17.723 ( -0.038 1.697 0.867) 1.906 17.746 ( -0.195 -0.574 -0.448) 0.754 17.882 ( 0.296 0.590 0.403) 0.774 17.896 ( 0.353 -0.724 -0.454) 0.924 18.376 ( -0.047 1.261 0.268) 1.290 18.388 ( 0.177 1.250 -0.708) 1.447 18.423 ( 0.111 -2.054 0.839) 2.222 18.440 ( 0.224 -2.568 -0.321) 2.598 18.642 ( -0.022 0.328 -0.031) 0.330 18.646 ( -0.434 -0.208 -0.059) 0.485 18.779 ( 0.639 -0.985 0.059) 1.176 18.786 ( 0.212 -1.708 -0.059) 1.722 27.797 ( -0.001 1.098 0.116) 1.104 27.801 ( 0.015 1.093 -0.118) 1.100 27.822 ( 0.122 -1.339 0.163) 1.355 27.828 ( 0.179 -1.443 -0.159) 1.463 28.299 ( 0.080 0.196 0.009) 0.212 28.304 ( -0.420 -0.289 -0.016) 0.510 28.357 ( 0.355 0.199 0.008) 0.407 28.361 ( -0.036 -0.182 -0.023) 0.187 30.487 ( 0.285 2.153 0.777) 2.307 30.514 ( 0.682 1.264 -1.014) 1.758 30.559 ( -0.124 -3.334 0.741) 3.417 30.581 ( 0.057 -3.740 -0.616) 3.790 31.071 ( -0.948 0.490 0.424) 1.148 31.082 ( -0.841 -0.464 -0.196) 0.980 31.584 ( 0.960 0.577 -1.160) 1.613 31.595 ( 1.065 -0.436 -2.089) 2.385 31.765 ( 0.460 2.557 3.046) 4.004 31.807 ( -1.476 -0.392 2.875) 3.256 31.879 ( 0.440 -1.630 0.361) 1.727 31.889 ( -1.309 -1.255 0.967) 2.055 32.230 ( -1.037 3.685 -2.317) 4.474 32.299 ( 2.666 -0.829 -6.688) 7.247 32.349 ( -0.596 -2.470 1.611) 3.008 32.366 ( 3.120 -2.210 0.204) 3.829 32.928 ( 1.087 1.284 3.251) 3.660 32.971 ( 0.134 -2.149 1.836) 2.830 33.110 ( 1.589 1.853 -0.274) 2.456 33.168 ( 1.009 -3.560 -3.004) 4.766 33.903 ( -2.423 9.323 3.479) 10.241 33.996 ( -3.816 -0.200 2.334) 4.478 34.142 ( -1.695 4.437 -1.932) 5.127 34.168 ( -4.900 2.010 -2.642) 5.918 ======================= Grid point 95 (53/55) ======================= q-point: (-0.43 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.191 3.301 1.560) 3.656 1.254 ( 1.964 -1.167 -0.465) 2.331 1.285 ( 3.367 1.518 1.861) 4.135 1.311 ( 2.892 -0.641 0.274) 2.975 1.380 ( -0.210 4.233 1.336) 4.444 1.451 ( 3.216 -0.645 -1.668) 3.680 1.522 ( 0.345 0.357 -0.021) 0.497 1.541 ( 0.626 -0.046 -1.546) 1.668 1.649 ( 0.130 2.054 1.737) 2.693 1.666 ( 0.447 1.911 -0.001) 1.962 1.744 ( 0.072 0.364 0.748) 0.835 1.761 ( 0.868 -0.091 -0.178) 0.890 2.048 ( -4.622 6.214 5.018) 9.228 2.097 ( -4.603 0.956 6.266) 7.834 2.193 ( 2.424 12.036 -5.876) 13.611 2.314 ( 3.863 -0.946 -7.893) 8.838 2.372 ( -0.402 9.327 -0.460) 9.347 2.440 ( -1.333 7.657 -2.967) 8.319 2.581 ( -4.924 -1.809 2.472) 5.799 2.599 ( -2.847 -7.483 1.673) 8.179 2.699 ( -2.338 7.109 1.447) 7.622 2.792 ( 0.405 5.202 -3.599) 6.339 2.856 ( -2.226 -4.691 1.198) 5.329 2.891 ( -1.755 -2.196 -0.925) 2.959 3.060 ( -0.808 -2.998 2.636) 4.072 3.087 ( -1.262 -4.490 -0.909) 4.752 3.228 ( 0.078 -1.236 0.019) 1.239 3.305 ( 4.165 -7.028 -2.872) 8.660 3.571 ( -0.417 -1.428 1.701) 2.260 3.602 ( 0.522 -0.586 -2.750) 2.860 3.869 ( -2.071 -3.955 5.258) 6.897 3.983 ( 2.525 -11.855 -6.072) 13.557 4.082 ( -0.993 2.598 0.263) 2.794 4.124 ( 1.521 1.153 -0.715) 2.038 4.322 ( -1.316 1.470 2.054) 2.848 4.370 ( 1.053 -0.970 -1.912) 2.388 4.506 ( -1.963 1.917 3.170) 4.193 4.523 ( -2.495 0.323 3.299) 4.149 4.569 ( 2.238 2.779 -0.389) 3.589 4.596 ( 2.411 0.773 0.080) 2.533 4.642 ( 0.183 -0.443 0.242) 0.536 4.650 ( 0.462 -2.204 0.214) 2.262 4.669 ( 0.720 -0.105 -1.087) 1.308 4.684 ( 0.830 -0.929 -2.148) 2.483 4.853 ( -1.049 -0.953 3.622) 3.889 4.890 ( 1.695 -3.617 1.346) 4.215 4.977 ( -0.828 2.961 1.782) 3.554 5.009 ( -0.078 1.103 -1.177) 1.615 5.086 ( -0.439 1.197 1.915) 2.300 5.115 ( -0.474 -0.785 1.193) 1.504 5.141 ( 1.447 3.183 -2.299) 4.185 5.191 ( 2.253 -1.713 -3.472) 4.480 5.351 ( -1.306 1.107 3.991) 4.342 5.378 ( -0.354 -1.198 2.251) 2.575 5.545 ( -0.301 5.120 -1.461) 5.333 5.573 ( -0.698 3.361 -0.337) 3.449 5.598 ( 1.640 4.178 -2.230) 5.011 5.644 ( 3.083 3.276 -6.297) 7.739 5.670 ( 0.288 -1.487 1.724) 2.295 5.719 ( 2.045 -3.224 -4.613) 5.988 6.007 ( -1.355 10.087 4.037) 10.950 6.035 ( 0.388 9.222 1.682) 9.382 6.238 ( -0.764 0.419 1.605) 1.826 6.273 ( -0.935 1.007 1.225) 1.841 6.279 ( -1.122 -3.155 0.974) 3.487 6.284 ( -0.427 2.808 -0.455) 2.877 6.355 ( 0.478 -5.733 -0.212) 5.756 6.422 ( 3.603 -8.116 -3.734) 9.633 6.591 ( -1.697 0.195 -1.450) 2.240 6.618 ( 1.353 -2.558 -0.561) 2.948 6.901 ( -1.597 0.036 3.648) 3.983 6.942 ( -0.361 -3.440 -1.321) 3.703 12.149 ( 0.368 -0.626 0.213) 0.757 12.153 ( 0.446 -0.958 -0.223) 1.080 12.600 ( -0.569 0.654 0.412) 0.960 12.609 ( -0.130 -0.194 -0.327) 0.402 12.926 ( -0.560 2.365 1.262) 2.739 12.954 ( 0.385 0.055 -1.762) 1.805 13.042 ( -0.486 -0.183 1.061) 1.181 13.055 ( -0.251 -1.031 -0.706) 1.275 13.410 ( -0.520 1.202 -0.028) 1.310 13.423 ( 0.866 1.006 -0.214) 1.344 13.442 ( -0.195 -1.801 -0.142) 1.817 13.450 ( 0.893 -1.450 0.150) 1.709 13.909 ( -0.233 2.995 0.649) 3.073 13.924 ( 0.672 1.408 -0.304) 1.590 14.079 ( -0.257 0.333 1.221) 1.291 14.101 ( 0.361 -1.617 -1.298) 2.105 16.942 ( 0.216 1.014 0.187) 1.053 16.950 ( 0.800 0.305 -0.113) 0.864 17.135 ( 0.261 0.987 0.372) 1.086 17.143 ( 0.496 0.296 -0.428) 0.719 17.236 ( -1.058 0.448 -0.070) 1.151 17.247 ( 0.182 -0.631 0.098) 0.664 17.301 ( 0.742 -0.084 1.077) 1.310 17.310 ( 0.234 -0.909 -1.189) 1.515 17.457 ( -0.322 0.648 0.012) 0.724 17.459 ( -0.034 0.416 0.157) 0.446 17.636 ( -0.349 0.252 0.487) 0.650 17.650 ( 0.208 -1.066 -0.798) 1.348 17.729 ( -0.144 1.288 0.925) 1.592 17.741 ( 0.209 0.109 -0.633) 0.676 17.885 ( -0.453 0.186 0.467) 0.676 17.894 ( -0.156 -0.549 -0.507) 0.764 18.377 ( -0.139 1.320 0.341) 1.370 18.385 ( 0.079 1.212 -0.576) 1.344 18.426 ( -0.540 -2.045 0.651) 2.213 18.440 ( 0.147 -2.684 -0.379) 2.715 18.641 ( -0.031 0.399 0.013) 0.400 18.646 ( 0.456 -0.138 -0.050) 0.479 18.780 ( -0.667 -1.175 -0.022) 1.352 18.785 ( -0.181 -1.576 0.019) 1.586 27.798 ( 0.013 1.092 0.157) 1.103 27.800 ( -0.028 1.096 -0.157) 1.108 27.824 ( -0.142 -1.351 0.204) 1.374 27.826 ( -0.159 -1.428 -0.202) 1.450 28.299 ( -0.092 0.188 0.006) 0.209 28.304 ( 0.431 -0.281 -0.009) 0.514 28.357 ( -0.369 0.201 0.013) 0.421 28.361 ( 0.052 -0.183 -0.022) 0.192 30.493 ( -0.488 2.020 0.856) 2.247 30.510 ( -0.046 1.673 -1.255) 2.092 30.559 ( -0.658 -3.436 0.887) 3.609 30.579 ( 0.343 -3.916 -0.579) 3.973 31.073 ( 0.674 0.292 0.519) 0.900 31.079 ( 0.740 -0.239 -0.212) 0.806 31.582 ( -0.167 0.703 -1.025) 1.254 31.595 ( 0.751 -0.526 -1.974) 2.177 31.783 ( -2.194 2.001 2.012) 3.587 31.801 ( -0.429 0.790 2.982) 3.114 31.876 ( -0.355 -0.596 0.469) 0.838 31.904 ( 1.486 -2.901 0.263) 3.270 32.195 ( -2.072 2.838 1.106) 3.684 32.266 ( -0.086 -3.448 -4.619) 5.765 32.365 ( 0.313 1.011 -0.246) 1.086 32.402 ( 1.678 -1.939 -2.598) 3.650 32.925 ( -4.301 0.919 3.151) 5.410 32.955 ( -3.295 -2.053 3.224) 5.046 33.112 ( -0.881 1.886 -0.401) 2.120 33.168 ( 1.489 -3.456 -2.924) 4.765 33.979 ( 2.035 6.005 -1.396) 6.492 33.991 ( 6.515 5.014 3.720) 9.024 34.112 ( 1.361 3.406 0.050) 3.668 34.142 ( 3.185 0.934 -2.020) 3.886 ======================= Grid point 96 (54/55) ======================= q-point: (-0.29 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 4.166 4.254 0.113) 5.955 1.308 ( 4.251 -0.331 0.047) 4.264 1.364 ( 2.407 1.377 1.831) 3.323 1.385 ( 4.464 0.514 -0.561) 4.528 1.441 ( 5.294 5.350 2.687) 7.992 1.516 ( 3.201 0.887 -2.260) 4.018 1.526 ( 0.913 0.411 0.018) 1.001 1.546 ( 2.006 -2.183 -0.334) 2.984 1.661 ( 1.334 2.144 -1.046) 2.733 1.681 ( 0.879 1.427 0.106) 1.679 1.752 ( 0.827 1.633 -0.255) 1.848 1.785 ( 1.477 -0.006 -0.009) 1.477 1.989 ( -5.640 4.513 4.798) 8.672 2.057 ( -4.919 -2.606 5.227) 7.636 2.157 ( -3.920 13.607 -0.659) 14.176 2.300 ( 0.475 1.915 -4.325) 4.754 2.357 ( 0.889 5.936 -6.624) 8.939 2.376 ( -2.609 6.539 -1.250) 7.151 2.472 ( -8.335 1.659 1.776) 8.682 2.521 ( -6.417 -6.663 1.027) 9.308 2.661 ( -2.698 6.126 0.631) 6.723 2.742 ( -3.302 2.282 0.375) 4.031 2.803 ( -3.303 -1.777 -0.776) 3.830 2.850 ( -1.780 -3.788 -0.305) 4.197 3.050 ( -1.893 -4.142 -0.693) 4.607 3.058 ( -1.442 -4.999 1.973) 5.564 3.254 ( 2.596 0.755 -0.156) 2.708 3.360 ( 3.724 -8.085 -2.481) 9.241 3.570 ( -0.688 -1.922 1.358) 2.452 3.595 ( 1.170 -1.009 -2.790) 3.189 3.876 ( -2.135 -1.482 5.837) 6.390 3.992 ( 2.912 -11.781 -4.637) 12.991 4.069 ( -0.220 3.076 -0.535) 3.130 4.134 ( 0.189 -0.800 -1.142) 1.407 4.315 ( -1.046 2.374 2.067) 3.317 4.377 ( 1.455 -0.758 -1.898) 2.509 4.498 ( -1.322 2.599 1.904) 3.482 4.519 ( -0.369 1.352 2.052) 2.485 4.615 ( 2.856 2.448 -0.047) 3.761 4.623 ( 0.024 1.587 -0.490) 1.661 4.649 ( 0.565 -0.779 0.343) 1.022 4.659 ( 0.518 -0.649 -1.398) 1.626 4.685 ( 1.629 -0.943 0.266) 1.901 4.695 ( 1.743 -0.700 -0.892) 2.079 4.881 ( 0.328 0.041 4.303) 4.316 4.938 ( 2.085 -3.636 0.656) 4.243 4.986 ( -0.036 1.739 1.600) 2.363 5.003 ( 0.115 1.173 0.495) 1.279 5.099 ( 0.062 0.648 2.298) 2.388 5.119 ( -0.162 -0.089 1.462) 1.474 5.161 ( 2.372 3.024 -1.906) 4.290 5.211 ( 2.873 -1.804 -3.471) 4.854 5.356 ( -1.234 0.773 2.577) 2.960 5.375 ( -1.417 -0.663 1.212) 1.979 5.527 ( -0.534 4.533 -1.696) 4.870 5.561 ( -0.323 1.587 0.664) 1.750 5.622 ( 2.357 2.798 -1.399) 3.917 5.643 ( 0.635 0.031 -2.420) 2.502 5.687 ( 3.042 2.527 -3.599) 5.347 5.742 ( 3.941 -2.993 -3.724) 6.193 6.015 ( -0.867 10.182 2.810) 10.598 6.055 ( 0.791 7.627 0.185) 7.670 6.231 ( -0.851 1.393 0.792) 1.814 6.250 ( -1.671 0.946 0.926) 2.132 6.276 ( -0.978 -0.954 3.614) 3.864 6.289 ( 1.000 3.689 -0.729) 3.892 6.394 ( 1.262 -8.008 3.017) 8.650 6.456 ( 2.621 -8.631 -3.129) 9.548 6.531 ( -1.813 3.343 -3.695) 5.302 6.618 ( -0.659 -5.713 -1.514) 5.947 6.883 ( -2.369 0.638 1.992) 3.161 6.938 ( -0.047 -4.682 0.782) 4.747 12.163 ( 0.955 -0.667 0.052) 1.166 12.166 ( 1.021 -0.942 -0.041) 1.390 12.588 ( -1.029 0.788 0.291) 1.328 12.599 ( -0.661 -0.283 -0.319) 0.787 12.918 ( -0.993 2.079 0.641) 2.391 12.943 ( -0.017 -0.153 -1.527) 1.535 13.035 ( -0.699 0.293 0.495) 0.906 13.053 ( -0.296 -1.271 0.500) 1.398 13.401 ( -0.029 1.592 -0.352) 1.631 13.438 ( 0.068 -1.882 0.053) 1.884 13.444 ( 0.947 1.113 0.033) 1.462 13.472 ( 1.260 -1.629 0.157) 2.066 13.911 ( 0.013 3.408 0.352) 3.426 13.936 ( 0.861 1.102 -0.589) 1.517 14.086 ( -0.150 -0.034 1.249) 1.259 14.100 ( 0.549 -1.548 -1.022) 1.934 16.957 ( 1.086 1.432 0.383) 1.837 16.972 ( 1.674 -0.085 -0.087) 1.678 17.142 ( 0.058 1.323 -0.044) 1.325 17.151 ( 0.811 0.310 -0.698) 1.114 17.217 ( -0.692 0.492 0.020) 0.849 17.242 ( -0.776 -1.728 -0.068) 1.896 17.318 ( 1.320 0.454 -0.377) 1.445 17.330 ( 1.234 -0.604 1.086) 1.751 17.445 ( -0.696 0.875 -0.318) 1.162 17.456 ( -0.539 -0.053 -0.020) 0.542 17.631 ( -0.363 0.422 0.062) 0.560 17.649 ( -0.175 -1.218 -0.044) 1.231 17.733 ( 0.134 0.937 0.334) 1.004 17.743 ( 0.260 -0.044 -0.255) 0.367 17.874 ( -0.896 0.192 0.199) 0.938 17.884 ( -0.596 -0.527 -0.225) 0.827 18.376 ( -0.141 1.434 0.219) 1.458 18.382 ( -0.059 1.619 -0.187) 1.631 18.417 ( -0.701 -1.665 0.150) 1.813 18.438 ( -0.166 -2.992 -0.213) 3.004 18.646 ( 0.680 0.550 0.057) 0.877 18.658 ( 0.872 -0.637 0.011) 1.080 18.762 ( -1.247 -0.743 -0.068) 1.453 18.774 ( -1.133 -1.765 0.057) 2.098 27.799 ( 0.016 0.888 -0.093) 0.893 27.800 ( 0.030 0.843 0.095) 0.849 27.820 ( -0.392 -1.136 -0.099) 1.206 27.821 ( -0.375 -1.150 0.099) 1.213 28.301 ( 0.255 0.597 0.001) 0.649 28.314 ( 0.633 -0.654 0.002) 0.910 28.348 ( -0.599 0.477 0.010) 0.765 28.359 ( -0.245 -0.554 -0.008) 0.606 30.480 ( -1.051 2.396 -0.082) 2.618 30.499 ( -0.472 2.691 -0.303) 2.749 30.551 ( -0.663 -3.670 0.422) 3.753 30.583 ( 0.231 -4.667 -0.079) 4.673 31.099 ( 1.786 0.278 0.236) 1.823 31.105 ( 2.027 -0.282 0.291) 2.067 31.563 ( -0.923 0.986 -1.103) 1.743 31.586 ( -0.281 -1.089 -1.863) 2.176 31.760 ( -1.113 3.012 1.239) 3.441 31.809 ( -0.960 -1.002 2.625) 2.969 31.883 ( 0.420 0.394 0.152) 0.596 31.921 ( 0.439 -2.295 -0.911) 2.508 32.176 ( -2.165 2.329 3.732) 4.903 32.241 ( -0.208 -3.614 -0.691) 3.686 32.344 ( -0.782 1.843 -3.395) 3.942 32.388 ( -0.066 -2.115 -3.792) 4.342 32.862 ( -4.554 1.753 3.024) 5.741 32.912 ( -4.567 -3.237 4.401) 7.121 33.089 ( -0.698 3.527 -1.370) 3.848 33.156 ( -0.749 -2.641 -1.911) 3.345 34.037 ( 7.117 8.197 -2.731) 11.194 34.137 ( 7.154 -1.766 -3.066) 7.981 34.184 ( 4.872 5.372 1.807) 7.474 34.256 ( 8.010 -1.126 3.386) 8.769 ======================= Grid point 97 (55/55) ======================= q-point: (-0.14 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 5.214 4.847 -1.152) 7.212 1.390 ( 3.561 2.420 1.134) 4.452 1.407 ( 0.389 3.444 1.741) 3.878 1.455 ( 3.670 1.314 0.059) 3.898 1.509 ( -0.284 2.130 -0.967) 2.356 1.536 ( 1.488 0.556 -1.004) 1.879 1.548 ( 2.025 2.059 0.789) 2.994 1.601 ( 0.693 -0.963 1.265) 1.734 1.691 ( 2.798 1.402 -1.403) 3.430 1.718 ( 4.769 -0.057 -1.301) 4.944 1.766 ( 0.622 3.729 -0.141) 3.783 1.802 ( 0.235 0.754 -0.457) 0.913 1.937 ( -4.279 3.645 4.889) 7.449 2.011 ( -3.562 -1.487 3.328) 5.096 2.077 ( -3.233 9.981 1.529) 10.603 2.243 ( -4.778 0.580 -2.863) 5.600 2.271 ( -4.034 1.986 -0.987) 4.603 2.329 ( -5.538 -0.719 2.099) 5.966 2.378 ( -0.632 4.533 -3.245) 5.611 2.432 ( -0.630 0.222 -3.113) 3.184 2.618 ( -2.358 5.498 1.032) 6.071 2.696 ( -1.808 3.031 -0.275) 3.540 2.754 ( -1.788 -0.055 0.833) 1.973 2.821 ( -0.855 -3.808 -1.096) 4.053 3.017 ( -1.125 -4.441 -0.028) 4.582 3.042 ( -1.286 -6.329 0.510) 6.479 3.305 ( 2.266 -0.149 0.776) 2.399 3.388 ( 1.490 -7.451 -2.432) 7.979 3.575 ( -0.216 -2.070 1.768) 2.730 3.601 ( 2.309 -1.676 -3.478) 4.499 3.883 ( -2.238 0.149 6.158) 6.554 4.006 ( 2.164 -11.163 -3.771) 11.980 4.065 ( 0.383 1.605 -1.086) 1.976 4.111 ( -1.175 -0.596 -1.698) 2.150 4.321 ( -0.346 4.257 2.471) 4.934 4.392 ( 1.816 -0.125 -2.075) 2.760 4.492 ( -0.525 3.097 1.111) 3.332 4.531 ( 0.047 0.841 1.013) 1.318 4.610 ( -0.098 2.503 -1.888) 3.137 4.639 ( -0.671 0.616 -0.455) 1.018 4.651 ( 0.384 1.169 -0.322) 1.272 4.667 ( 0.714 -0.248 -0.327) 0.823 4.714 ( 1.903 0.649 0.609) 2.101 4.734 ( 1.740 -1.537 1.228) 2.626 4.920 ( -0.171 0.663 4.422) 4.474 4.972 ( 0.792 -1.623 1.664) 2.456 4.988 ( 0.276 1.580 -0.973) 1.876 5.020 ( -0.391 -1.467 2.694) 3.092 5.118 ( -0.373 0.709 1.853) 2.019 5.130 ( -0.322 0.753 2.473) 2.605 5.191 ( 2.562 2.777 -1.955) 4.254 5.230 ( 2.370 -0.974 -4.230) 4.946 5.350 ( -1.173 -0.051 2.514) 2.775 5.366 ( -1.138 -1.223 2.720) 3.192 5.503 ( -0.088 2.781 -2.464) 3.717 5.548 ( -1.151 -1.254 -1.638) 2.362 5.636 ( 0.394 1.139 -1.078) 1.617 5.650 ( 1.839 1.107 -1.724) 2.753 5.733 ( 4.165 3.754 -2.421) 6.108 5.793 ( 4.990 -2.169 -4.732) 7.211 6.018 ( -1.185 9.479 2.517) 9.879 6.062 ( 0.455 5.795 -1.293) 5.955 6.223 ( -0.743 2.366 1.221) 2.764 6.240 ( -0.181 -0.399 0.040) 0.440 6.289 ( -1.508 1.361 4.382) 4.830 6.309 ( 0.687 3.187 1.763) 3.707 6.397 ( -3.253 -2.569 2.107) 4.649 6.479 ( 3.301 -8.027 -2.786) 9.115 6.496 ( 0.620 0.592 -2.961) 3.083 6.582 ( -1.256 -7.590 -1.873) 7.918 6.862 ( -1.633 1.027 2.299) 3.002 6.939 ( -0.249 -6.893 -0.335) 6.905 12.181 ( 0.935 -0.702 -0.003) 1.169 12.184 ( 0.829 -0.951 0.031) 1.262 12.571 ( -0.875 0.819 0.254) 1.225 12.583 ( -0.673 -0.238 -0.461) 0.850 12.909 ( -0.659 1.871 1.081) 2.259 12.935 ( 0.251 -0.495 -0.914) 1.070 13.026 ( -0.693 0.525 0.348) 0.936 13.046 ( -0.517 -1.254 -0.316) 1.393 13.404 ( 0.378 1.594 0.071) 1.640 13.435 ( -0.124 -1.066 -0.513) 1.190 13.464 ( 0.836 0.667 0.657) 1.255 13.492 ( 0.740 -1.752 -0.135) 1.907 13.915 ( 0.094 3.491 0.577) 3.540 13.943 ( 0.614 1.026 -0.916) 1.506 14.092 ( -0.218 -0.268 0.996) 1.054 14.104 ( 0.574 -1.598 -0.754) 1.858 16.983 ( 1.237 1.684 0.678) 2.196 17.003 ( 1.639 -0.206 -0.222) 1.667 17.131 ( -0.834 1.647 -0.248) 1.863 17.152 ( -0.214 -0.200 -1.022) 1.063 17.218 ( 0.644 -0.097 0.134) 0.665 17.230 ( -0.140 -1.270 -0.061) 1.279 17.343 ( 1.240 0.696 0.314) 1.456 17.356 ( 0.745 -0.522 0.709) 1.153 17.431 ( -0.554 0.746 -0.232) 0.958 17.441 ( -0.814 -0.126 -0.294) 0.875 17.627 ( -0.009 0.370 -0.130) 0.392 17.641 ( -0.672 -0.930 0.109) 1.152 17.739 ( -0.273 0.168 1.007) 1.057 17.746 ( 0.805 -0.402 -0.888) 1.265 17.860 ( -0.659 0.303 0.147) 0.740 17.869 ( -0.719 -0.368 -0.222) 0.838 18.376 ( -0.073 1.503 0.096) 1.508 18.379 ( -0.132 2.112 -0.024) 2.117 18.408 ( -0.370 -1.514 0.316) 1.590 18.431 ( -0.279 -2.855 -0.395) 2.896 18.667 ( 1.490 0.194 0.087) 1.505 18.677 ( 1.223 -0.882 0.056) 1.509 18.736 ( -1.526 -0.624 0.021) 1.648 18.746 ( -1.759 -1.493 -0.055) 2.308 27.800 ( 0.180 0.443 -0.028) 0.479 27.802 ( 0.119 0.427 0.029) 0.444 27.811 ( -0.432 -0.680 -0.040) 0.807 27.813 ( -0.457 -0.701 0.042) 0.838 28.308 ( 0.515 0.851 0.014) 0.995 28.325 ( 0.332 -0.400 -0.002) 0.520 28.338 ( -0.348 0.199 0.013) 0.401 28.352 ( -0.467 -0.864 -0.007) 0.982 30.464 ( -0.628 3.184 0.156) 3.249 30.487 ( -0.536 3.431 -0.333) 3.488 30.546 ( -0.345 -4.161 0.715) 4.236 30.582 ( -0.060 -5.176 -0.510) 5.201 31.136 ( 1.765 0.400 0.464) 1.868 31.146 ( 1.841 -0.517 0.344) 1.943 31.536 ( -0.928 0.843 -1.087) 1.660 31.557 ( -0.985 -1.117 -1.930) 2.438 31.771 ( 0.994 3.172 1.322) 3.577 31.811 ( -0.962 0.105 1.571) 1.845 31.884 ( -0.473 -0.682 0.660) 1.061 31.909 ( -0.559 -1.930 -1.068) 2.275 32.173 ( -1.033 2.422 2.723) 3.787 32.234 ( -1.457 -3.214 0.600) 3.579 32.311 ( 1.080 1.625 -3.071) 3.638 32.354 ( -0.573 -2.330 -2.491) 3.459 32.817 ( -2.746 1.790 2.458) 4.097 32.864 ( -3.691 -2.737 2.560) 5.260 33.073 ( 0.437 3.599 -1.626) 3.973 33.121 ( -1.342 -0.833 -1.473) 2.160 34.169 ( 6.904 4.939 0.735) 8.520 34.227 ( 5.426 -0.544 -1.441) 5.641 34.274 ( 3.371 5.935 0.318) 6.833 34.403 ( 4.986 -5.332 0.429) 7.312 =================== 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 3/27216 10.0 13.030 24.071 23.266 0.000 -4.798 0.000 3/27216 20.0 3.637 8.027 6.360 0.000 -1.436 0.000 3/27216 30.0 2.128 4.655 3.556 0.000 -0.827 0.000 3/27216 40.0 1.497 3.266 2.451 0.000 -0.585 0.000 3/27216 50.0 1.150 2.517 1.865 0.000 -0.453 0.000 3/27216 60.0 0.935 2.053 1.509 0.000 -0.370 0.000 3/27216 70.0 0.790 1.740 1.272 0.000 -0.313 0.000 3/27216 80.0 0.687 1.514 1.102 0.000 -0.272 0.000 3/27216 90.0 0.609 1.343 0.976 0.000 -0.241 0.000 3/27216 100.0 0.548 1.209 0.877 0.000 -0.217 0.000 3/27216 110.0 0.499 1.100 0.797 0.000 -0.197 0.000 3/27216 120.0 0.458 1.010 0.732 0.000 -0.181 0.000 3/27216 130.0 0.424 0.934 0.677 0.000 -0.167 0.000 3/27216 140.0 0.395 0.869 0.630 0.000 -0.156 0.000 3/27216 150.0 0.370 0.813 0.590 0.000 -0.146 0.000 3/27216 160.0 0.348 0.764 0.554 0.000 -0.137 0.000 3/27216 170.0 0.329 0.721 0.523 0.000 -0.129 0.000 3/27216 180.0 0.312 0.682 0.496 0.000 -0.122 0.000 3/27216 190.0 0.297 0.648 0.471 0.000 -0.116 0.000 3/27216 200.0 0.283 0.617 0.449 0.000 -0.111 0.000 3/27216 210.0 0.271 0.590 0.429 0.000 -0.105 0.000 3/27216 220.0 0.261 0.564 0.411 0.000 -0.101 0.000 3/27216 230.0 0.251 0.541 0.395 0.000 -0.097 0.000 3/27216 240.0 0.242 0.520 0.379 0.000 -0.093 0.000 3/27216 250.0 0.234 0.501 0.366 0.000 -0.089 0.000 3/27216 260.0 0.226 0.483 0.353 0.000 -0.086 0.000 3/27216 270.0 0.220 0.467 0.341 0.000 -0.083 0.000 3/27216 280.0 0.213 0.452 0.330 0.000 -0.080 0.000 3/27216 290.0 0.208 0.437 0.320 0.000 -0.077 0.000 3/27216 300.0 0.202 0.424 0.310 0.000 -0.074 0.000 3/27216 310.0 0.198 0.412 0.301 0.000 -0.072 0.000 3/27216 320.0 0.193 0.400 0.293 0.000 -0.070 0.000 3/27216 330.0 0.189 0.390 0.285 0.000 -0.068 0.000 3/27216 340.0 0.185 0.379 0.278 0.000 -0.066 0.000 3/27216 350.0 0.181 0.370 0.271 0.000 -0.064 0.000 3/27216 360.0 0.178 0.361 0.264 0.000 -0.062 0.000 3/27216 370.0 0.174 0.352 0.258 0.000 -0.060 0.000 3/27216 380.0 0.171 0.344 0.252 0.000 -0.059 0.000 3/27216 390.0 0.168 0.336 0.247 0.000 -0.057 0.000 3/27216 400.0 0.165 0.329 0.241 0.000 -0.056 0.000 3/27216 410.0 0.162 0.322 0.236 0.000 -0.054 0.000 3/27216 420.0 0.160 0.315 0.231 0.000 -0.053 0.000 3/27216 430.0 0.157 0.308 0.227 0.000 -0.052 0.000 3/27216 440.0 0.155 0.302 0.222 0.000 -0.051 0.000 3/27216 450.0 0.152 0.296 0.218 0.000 -0.049 0.000 3/27216 460.0 0.150 0.291 0.214 0.000 -0.048 0.000 3/27216 470.0 0.148 0.285 0.210 0.000 -0.047 0.000 3/27216 480.0 0.146 0.280 0.206 0.000 -0.046 0.000 3/27216 490.0 0.144 0.275 0.202 0.000 -0.045 0.000 3/27216 500.0 0.142 0.270 0.199 0.000 -0.044 0.000 3/27216 510.0 0.140 0.265 0.196 0.000 -0.043 0.000 3/27216 520.0 0.138 0.261 0.192 0.000 -0.043 0.000 3/27216 530.0 0.136 0.257 0.189 0.000 -0.042 0.000 3/27216 540.0 0.134 0.252 0.186 0.000 -0.041 0.000 3/27216 550.0 0.133 0.248 0.183 0.000 -0.040 0.000 3/27216 560.0 0.131 0.244 0.180 0.000 -0.039 0.000 3/27216 570.0 0.129 0.241 0.177 0.000 -0.039 0.000 3/27216 580.0 0.128 0.237 0.175 0.000 -0.038 0.000 3/27216 590.0 0.126 0.233 0.172 0.000 -0.037 0.000 3/27216 600.0 0.125 0.230 0.170 0.000 -0.037 0.000 3/27216 610.0 0.123 0.226 0.167 0.000 -0.036 0.000 3/27216 620.0 0.122 0.223 0.165 0.000 -0.036 0.000 3/27216 630.0 0.120 0.220 0.162 0.000 -0.035 0.000 3/27216 640.0 0.119 0.217 0.160 0.000 -0.034 0.000 3/27216 650.0 0.118 0.214 0.158 0.000 -0.034 0.000 3/27216 660.0 0.116 0.211 0.156 0.000 -0.033 0.000 3/27216 670.0 0.115 0.208 0.154 0.000 -0.033 0.000 3/27216 680.0 0.114 0.205 0.152 0.000 -0.032 0.000 3/27216 690.0 0.113 0.203 0.150 0.000 -0.032 0.000 3/27216 700.0 0.111 0.200 0.148 0.000 -0.031 0.000 3/27216 710.0 0.110 0.197 0.146 0.000 -0.031 0.000 3/27216 720.0 0.109 0.195 0.144 0.000 -0.030 0.000 3/27216 730.0 0.108 0.193 0.142 0.000 -0.030 0.000 3/27216 740.0 0.107 0.190 0.141 0.000 -0.030 0.000 3/27216 750.0 0.106 0.188 0.139 0.000 -0.029 0.000 3/27216 760.0 0.104 0.186 0.137 0.000 -0.029 0.000 3/27216 770.0 0.103 0.183 0.136 0.000 -0.028 0.000 3/27216 780.0 0.102 0.181 0.134 0.000 -0.028 0.000 3/27216 790.0 0.101 0.179 0.133 0.000 -0.028 0.000 3/27216 800.0 0.100 0.177 0.131 0.000 -0.027 0.000 3/27216 810.0 0.099 0.175 0.130 0.000 -0.027 0.000 3/27216 820.0 0.098 0.173 0.128 0.000 -0.027 0.000 3/27216 830.0 0.097 0.171 0.127 0.000 -0.026 0.000 3/27216 840.0 0.096 0.169 0.125 0.000 -0.026 0.000 3/27216 850.0 0.095 0.167 0.124 0.000 -0.026 0.000 3/27216 860.0 0.095 0.166 0.123 0.000 -0.025 0.000 3/27216 870.0 0.094 0.164 0.121 0.000 -0.025 0.000 3/27216 880.0 0.093 0.162 0.120 0.000 -0.025 0.000 3/27216 890.0 0.092 0.160 0.119 0.000 -0.025 0.000 3/27216 900.0 0.091 0.159 0.118 0.000 -0.024 0.000 3/27216 910.0 0.090 0.157 0.116 0.000 -0.024 0.000 3/27216 920.0 0.089 0.156 0.115 0.000 -0.024 0.000 3/27216 930.0 0.089 0.154 0.114 0.000 -0.023 0.000 3/27216 940.0 0.088 0.152 0.113 0.000 -0.023 0.000 3/27216 950.0 0.087 0.151 0.112 0.000 -0.023 0.000 3/27216 960.0 0.086 0.149 0.111 0.000 -0.023 0.000 3/27216 970.0 0.086 0.148 0.110 0.000 -0.022 0.000 3/27216 980.0 0.085 0.147 0.109 0.000 -0.022 0.000 3/27216 990.0 0.084 0.145 0.108 0.000 -0.022 0.000 3/27216 1000.0 0.083 0.144 0.107 0.000 -0.022 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m793.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:05:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|