----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 10.423380130011990 0.000000000000000 0.000000000000000 b 0.000000000000000 5.851897870000000 0.000000000000000 c -4.935308368623531 0.000000000000000 13.595477855804734 Atomic positions (fractional): *1 Ba 0.57907360916183 0.74392750702581 0.93898578517033 137.327 *2 Ba 0.25551587003355 0.75640072876734 0.19136215596438 137.327 3 Ba 0.74448412996645 0.25640072876734 0.30863784403562 137.327 4 Ba 0.74448412996645 0.24359927123266 0.80863784403562 137.327 5 Ba 0.57907360916183 0.75607249297419 0.43898578517033 137.327 6 Ba 0.42092639083817 0.24392750702581 0.56101421482967 137.327 7 Ba 0.25551587003355 0.74359927123266 0.69136215596438 137.327 8 Ba 0.42092639083817 0.25607249297419 0.06101421482967 137.327 *9 In 0.87866211961274 0.75535439233747 0.69278836350234 114.818 *10 In 0.05554085787301 0.25397303861409 0.05429505165853 114.818 *11 In 0.77327051953379 0.24838959044770 0.06977921387503 114.818 12 In 0.22672948046621 0.75161040955230 0.93022078612497 114.818 13 In 0.94445914212699 0.75397303861409 0.44570494834147 114.818 14 In 0.22672948046621 0.74838959044770 0.43022078612497 114.818 *15 In 0.41757766743900 0.25612635131670 0.31348661674837 114.818 16 In 0.87866211961274 0.74464560766253 0.19278836350234 114.818 17 In 0.41757766743900 0.24387364868330 0.81348661674837 114.818 18 In 0.12133788038726 0.24464560766253 0.30721163649766 114.818 19 In 0.12133788038726 0.25535439233747 0.80721163649766 114.818 20 In 0.58242233256100 0.74387364868330 0.68651338325163 114.818 21 In 0.77327051953379 0.25161040955230 0.56977921387503 114.818 22 In 0.05554085787301 0.24602696138591 0.55429505165853 114.818 23 In 0.94445914212699 0.74602696138591 0.94570494834147 114.818 24 In 0.58242233256100 0.75612635131670 0.18651338325163 114.818 *25 O 0.59106123175913 0.19452050411132 0.94616703392929 15.999 *26 O 0.49096627376838 0.48063571909203 0.23151290046464 15.999 *27 O 0.91909529088009 0.55276385503587 0.56538580894044 15.999 *28 O 0.71523243174642 0.49413904343305 0.65406528646754 15.999 *29 O 0.21721584580486 0.29847868178338 0.68372365751876 15.999 *30 O 0.68791803006564 0.54089095729956 0.11452261007959 15.999 31 O 0.68791803006564 0.95910904270044 0.61452261007958 15.999 32 O 0.78278415419514 0.70152131821662 0.31627634248124 15.999 33 O 0.31208196993436 0.45910904270044 0.88547738992042 15.999 *34 O 0.86683472368171 0.42344770088120 0.97940108098829 15.999 35 O 0.91909529088009 0.94723614496413 0.06538580894044 15.999 36 O 0.28476756825358 0.99413904343306 0.84593471353246 15.999 37 O 0.78278415419514 0.79847868178338 0.81627634248124 15.999 38 O 0.31208196993436 0.04089095729956 0.38547738992042 15.999 39 O 0.21721584580486 0.20152131821662 0.18372365751876 15.999 40 O 0.71523243174642 0.00586095656695 0.15406528646754 15.999 41 O 0.08090470911991 0.44723614496413 0.43461419105956 15.999 42 O 0.13316527631829 0.92344770088120 0.52059891901171 15.999 43 O 0.13316527631829 0.57655229911880 0.02059891901171 15.999 44 O 0.40893876824087 0.69452050411132 0.55383296607071 15.999 45 O 0.40893876824087 0.80547949588868 0.05383296607071 15.999 46 O 0.49096627376838 0.01936428090797 0.73151290046464 15.999 47 O 0.08090470911991 0.05276385503587 0.93461419105956 15.999 48 O 0.50903372623162 0.98063571909203 0.26848709953536 15.999 49 O 0.28476756825358 0.50586095656694 0.34593471353247 15.999 50 O 0.59106123175913 0.30547949588868 0.44616703392929 15.999 *51 O 0.96127896808317 0.09760740763020 0.69060278635986 15.999 52 O 0.86683472368171 0.07655229911880 0.47940108098829 15.999 53 O 0.50903372623162 0.51936428090797 0.76848709953536 15.999 54 O 0.03872103191683 0.59760740763020 0.80939721364014 15.999 55 O 0.03872103191683 0.90239259236980 0.30939721364014 15.999 56 O 0.96127896808317 0.40239259236980 0.19060278635986 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.423380130011990 0.000000000000000 0.000000000000000 b 0.000000000000000 5.851897870000000 0.000000000000000 c -4.935308368623531 0.000000000000000 13.595477855804734 Atomic positions (fractional): *1 Ba 0.57907360916183 0.74392750702581 0.93898578517033 137.327 > 1 *2 Ba 0.25551587003355 0.75640072876734 0.19136215596438 137.327 > 2 3 Ba 0.74448412996645 0.25640072876734 0.30863784403562 137.327 > 3 4 Ba 0.74448412996645 0.24359927123266 0.80863784403562 137.327 > 4 5 Ba 0.57907360916183 0.75607249297419 0.43898578517033 137.327 > 5 6 Ba 0.42092639083817 0.24392750702581 0.56101421482967 137.327 > 6 7 Ba 0.25551587003355 0.74359927123266 0.69136215596438 137.327 > 7 8 Ba 0.42092639083817 0.25607249297419 0.06101421482967 137.327 > 8 *9 In 0.87866211961274 0.75535439233747 0.69278836350234 114.818 > 9 *10 In 0.05554085787301 0.25397303861409 0.05429505165853 114.818 > 10 *11 In 0.77327051953379 0.24838959044770 0.06977921387503 114.818 > 11 12 In 0.22672948046621 0.75161040955230 0.93022078612497 114.818 > 12 13 In 0.94445914212699 0.75397303861409 0.44570494834147 114.818 > 13 14 In 0.22672948046621 0.74838959044770 0.43022078612497 114.818 > 14 *15 In 0.41757766743900 0.25612635131670 0.31348661674837 114.818 > 15 16 In 0.87866211961274 0.74464560766253 0.19278836350234 114.818 > 16 17 In 0.41757766743900 0.24387364868330 0.81348661674837 114.818 > 17 18 In 0.12133788038726 0.24464560766253 0.30721163649766 114.818 > 18 19 In 0.12133788038726 0.25535439233747 0.80721163649766 114.818 > 19 20 In 0.58242233256100 0.74387364868330 0.68651338325163 114.818 > 20 21 In 0.77327051953379 0.25161040955230 0.56977921387503 114.818 > 21 22 In 0.05554085787301 0.24602696138591 0.55429505165853 114.818 > 22 23 In 0.94445914212699 0.74602696138591 0.94570494834147 114.818 > 23 24 In 0.58242233256100 0.75612635131670 0.18651338325163 114.818 > 24 *25 O 0.59106123175913 0.19452050411132 0.94616703392929 15.999 > 25 *26 O 0.49096627376838 0.48063571909203 0.23151290046464 15.999 > 26 *27 O 0.91909529088009 0.55276385503587 0.56538580894044 15.999 > 27 *28 O 0.71523243174642 0.49413904343305 0.65406528646754 15.999 > 28 *29 O 0.21721584580486 0.29847868178338 0.68372365751876 15.999 > 29 *30 O 0.68791803006564 0.54089095729956 0.11452261007959 15.999 > 30 31 O 0.68791803006564 0.95910904270044 0.61452261007958 15.999 > 31 32 O 0.78278415419514 0.70152131821662 0.31627634248124 15.999 > 32 33 O 0.31208196993436 0.45910904270044 0.88547738992042 15.999 > 33 *34 O 0.86683472368171 0.42344770088120 0.97940108098829 15.999 > 34 35 O 0.91909529088009 0.94723614496413 0.06538580894044 15.999 > 35 36 O 0.28476756825358 0.99413904343306 0.84593471353246 15.999 > 36 37 O 0.78278415419514 0.79847868178338 0.81627634248124 15.999 > 37 38 O 0.31208196993436 0.04089095729956 0.38547738992042 15.999 > 38 39 O 0.21721584580486 0.20152131821662 0.18372365751876 15.999 > 39 40 O 0.71523243174642 0.00586095656695 0.15406528646754 15.999 > 40 41 O 0.08090470911991 0.44723614496413 0.43461419105956 15.999 > 41 42 O 0.13316527631829 0.92344770088120 0.52059891901171 15.999 > 42 43 O 0.13316527631829 0.57655229911880 0.02059891901171 15.999 > 43 44 O 0.40893876824087 0.69452050411132 0.55383296607071 15.999 > 44 45 O 0.40893876824087 0.80547949588868 0.05383296607071 15.999 > 45 46 O 0.49096627376838 0.01936428090797 0.73151290046464 15.999 > 46 47 O 0.08090470911991 0.05276385503587 0.93461419105956 15.999 > 47 48 O 0.50903372623162 0.98063571909203 0.26848709953536 15.999 > 48 49 O 0.28476756825358 0.50586095656694 0.34593471353247 15.999 > 49 50 O 0.59106123175913 0.30547949588868 0.44616703392929 15.999 > 50 *51 O 0.96127896808317 0.09760740763020 0.69060278635986 15.999 > 51 52 O 0.86683472368171 0.07655229911880 0.47940108098829 15.999 > 52 53 O 0.50903372623162 0.51936428090797 0.76848709953536 15.999 > 53 54 O 0.03872103191683 0.59760740763020 0.80939721364014 15.999 > 54 55 O 0.03872103191683 0.90239259236980 0.30939721364014 15.999 > 55 56 O 0.96127896808317 0.40239259236980 0.19060278635986 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.423380130011990 0.000000000000000 0.000000000000000 b 0.000000000000000 11.703795740000000 0.000000000000000 c -4.935308368623531 0.000000000000000 13.595477855804734 Atomic positions (fractional): *1 Ba 0.57907360916183 0.37196375351290 0.93898578517033 137.327 > 1 2 Ba 0.57907360916183 0.87196375351290 0.93898578517033 137.327 > 1 *3 Ba 0.25551587003355 0.37820036438367 0.19136215596438 137.327 > 2 4 Ba 0.25551587003355 0.87820036438367 0.19136215596438 137.327 > 2 5 Ba 0.74448412996645 0.12820036438367 0.30863784403562 137.327 > 3 6 Ba 0.74448412996645 0.62820036438367 0.30863784403562 137.327 > 3 7 Ba 0.74448412996645 0.12179963561633 0.80863784403562 137.327 > 4 8 Ba 0.74448412996645 0.62179963561633 0.80863784403562 137.327 > 4 9 Ba 0.57907360916183 0.37803624648710 0.43898578517033 137.327 > 5 10 Ba 0.57907360916183 0.87803624648710 0.43898578517033 137.327 > 5 11 Ba 0.42092639083817 0.12196375351290 0.56101421482967 137.327 > 6 12 Ba 0.42092639083817 0.62196375351290 0.56101421482967 137.327 > 6 13 Ba 0.25551587003355 0.37179963561633 0.69136215596438 137.327 > 7 14 Ba 0.25551587003355 0.87179963561633 0.69136215596438 137.327 > 7 15 Ba 0.42092639083817 0.12803624648710 0.06101421482967 137.327 > 8 16 Ba 0.42092639083817 0.62803624648710 0.06101421482967 137.327 > 8 *17 In 0.87866211961274 0.37767719616873 0.69278836350234 114.818 > 9 18 In 0.87866211961274 0.87767719616873 0.69278836350234 114.818 > 9 *19 In 0.05554085787301 0.12698651930705 0.05429505165853 114.818 > 10 20 In 0.05554085787301 0.62698651930705 0.05429505165853 114.818 > 10 *21 In 0.77327051953379 0.12419479522385 0.06977921387503 114.818 > 11 22 In 0.77327051953379 0.62419479522385 0.06977921387503 114.818 > 11 23 In 0.22672948046621 0.37580520477615 0.93022078612497 114.818 > 12 24 In 0.22672948046621 0.87580520477615 0.93022078612497 114.818 > 12 25 In 0.94445914212699 0.37698651930705 0.44570494834147 114.818 > 13 26 In 0.94445914212699 0.87698651930705 0.44570494834147 114.818 > 13 27 In 0.22672948046621 0.37419479522385 0.43022078612497 114.818 > 14 28 In 0.22672948046621 0.87419479522385 0.43022078612497 114.818 > 14 *29 In 0.41757766743900 0.12806317565835 0.31348661674837 114.818 > 15 30 In 0.41757766743900 0.62806317565835 0.31348661674837 114.818 > 15 31 In 0.87866211961274 0.37232280383127 0.19278836350234 114.818 > 16 32 In 0.87866211961274 0.87232280383127 0.19278836350234 114.818 > 16 33 In 0.41757766743900 0.12193682434165 0.81348661674837 114.818 > 17 34 In 0.41757766743900 0.62193682434165 0.81348661674837 114.818 > 17 35 In 0.12133788038726 0.12232280383127 0.30721163649766 114.818 > 18 36 In 0.12133788038726 0.62232280383127 0.30721163649766 114.818 > 18 37 In 0.12133788038726 0.12767719616873 0.80721163649766 114.818 > 19 38 In 0.12133788038726 0.62767719616873 0.80721163649766 114.818 > 19 39 In 0.58242233256100 0.37193682434165 0.68651338325163 114.818 > 20 40 In 0.58242233256100 0.87193682434165 0.68651338325163 114.818 > 20 41 In 0.77327051953379 0.12580520477615 0.56977921387503 114.818 > 21 42 In 0.77327051953379 0.62580520477615 0.56977921387503 114.818 > 21 43 In 0.05554085787301 0.12301348069295 0.55429505165853 114.818 > 22 44 In 0.05554085787301 0.62301348069295 0.55429505165853 114.818 > 22 45 In 0.94445914212699 0.37301348069295 0.94570494834147 114.818 > 23 46 In 0.94445914212699 0.87301348069295 0.94570494834147 114.818 > 23 47 In 0.58242233256100 0.37806317565835 0.18651338325163 114.818 > 24 48 In 0.58242233256100 0.87806317565835 0.18651338325163 114.818 > 24 *49 O 0.59106123175913 0.09726025205566 0.94616703392929 15.999 > 25 50 O 0.59106123175913 0.59726025205566 0.94616703392929 15.999 > 25 *51 O 0.49096627376838 0.24031785954602 0.23151290046464 15.999 > 26 52 O 0.49096627376838 0.74031785954602 0.23151290046464 15.999 > 26 *53 O 0.91909529088009 0.27638192751794 0.56538580894044 15.999 > 27 54 O 0.91909529088009 0.77638192751794 0.56538580894044 15.999 > 27 *55 O 0.71523243174642 0.24706952171653 0.65406528646754 15.999 > 28 56 O 0.71523243174642 0.74706952171653 0.65406528646754 15.999 > 28 *57 O 0.21721584580486 0.14923934089169 0.68372365751876 15.999 > 29 58 O 0.21721584580486 0.64923934089169 0.68372365751876 15.999 > 29 *59 O 0.68791803006564 0.27044547864978 0.11452261007959 15.999 > 30 60 O 0.68791803006564 0.77044547864978 0.11452261007959 15.999 > 30 61 O 0.68791803006564 0.47955452135022 0.61452261007958 15.999 > 31 62 O 0.68791803006564 0.97955452135022 0.61452261007958 15.999 > 31 63 O 0.78278415419514 0.35076065910831 0.31627634248124 15.999 > 32 64 O 0.78278415419514 0.85076065910831 0.31627634248124 15.999 > 32 65 O 0.31208196993436 0.22955452135022 0.88547738992042 15.999 > 33 66 O 0.31208196993436 0.72955452135022 0.88547738992042 15.999 > 33 *67 O 0.86683472368171 0.21172385044060 0.97940108098829 15.999 > 34 68 O 0.86683472368171 0.71172385044060 0.97940108098829 15.999 > 34 69 O 0.91909529088009 0.47361807248206 0.06538580894044 15.999 > 35 70 O 0.91909529088009 0.97361807248206 0.06538580894044 15.999 > 35 71 O 0.28476756825358 0.49706952171653 0.84593471353246 15.999 > 36 72 O 0.28476756825358 0.99706952171653 0.84593471353246 15.999 > 36 73 O 0.78278415419514 0.39923934089169 0.81627634248124 15.999 > 37 74 O 0.78278415419514 0.89923934089169 0.81627634248124 15.999 > 37 75 O 0.31208196993436 0.02044547864978 0.38547738992042 15.999 > 38 76 O 0.31208196993436 0.52044547864978 0.38547738992042 15.999 > 38 77 O 0.21721584580486 0.10076065910831 0.18372365751876 15.999 > 39 78 O 0.21721584580486 0.60076065910831 0.18372365751876 15.999 > 39 79 O 0.71523243174642 0.00293047828347 0.15406528646754 15.999 > 40 80 O 0.71523243174642 0.50293047828347 0.15406528646754 15.999 > 40 81 O 0.08090470911991 0.22361807248206 0.43461419105956 15.999 > 41 82 O 0.08090470911991 0.72361807248206 0.43461419105956 15.999 > 41 83 O 0.13316527631829 0.46172385044060 0.52059891901171 15.999 > 42 84 O 0.13316527631829 0.96172385044060 0.52059891901171 15.999 > 42 85 O 0.13316527631829 0.28827614955940 0.02059891901171 15.999 > 43 86 O 0.13316527631829 0.78827614955940 0.02059891901171 15.999 > 43 87 O 0.40893876824087 0.34726025205566 0.55383296607071 15.999 > 44 88 O 0.40893876824087 0.84726025205566 0.55383296607071 15.999 > 44 89 O 0.40893876824087 0.40273974794434 0.05383296607071 15.999 > 45 90 O 0.40893876824087 0.90273974794434 0.05383296607071 15.999 > 45 91 O 0.49096627376838 0.00968214045398 0.73151290046464 15.999 > 46 92 O 0.49096627376838 0.50968214045398 0.73151290046464 15.999 > 46 93 O 0.08090470911991 0.02638192751794 0.93461419105956 15.999 > 47 94 O 0.08090470911991 0.52638192751794 0.93461419105956 15.999 > 47 95 O 0.50903372623162 0.49031785954602 0.26848709953536 15.999 > 48 96 O 0.50903372623162 0.99031785954602 0.26848709953536 15.999 > 48 97 O 0.28476756825358 0.25293047828347 0.34593471353247 15.999 > 49 98 O 0.28476756825358 0.75293047828347 0.34593471353247 15.999 > 49 99 O 0.59106123175913 0.15273974794434 0.44616703392929 15.999 > 50 100 O 0.59106123175913 0.65273974794434 0.44616703392929 15.999 > 50 *101 O 0.96127896808317 0.04880370381510 0.69060278635986 15.999 > 51 102 O 0.96127896808317 0.54880370381510 0.69060278635986 15.999 > 51 103 O 0.86683472368171 0.03827614955940 0.47940108098829 15.999 > 52 104 O 0.86683472368171 0.53827614955940 0.47940108098829 15.999 > 52 105 O 0.50903372623162 0.25968214045398 0.76848709953536 15.999 > 53 106 O 0.50903372623162 0.75968214045398 0.76848709953536 15.999 > 53 107 O 0.03872103191683 0.29880370381510 0.80939721364014 15.999 > 54 108 O 0.03872103191683 0.79880370381510 0.80939721364014 15.999 > 54 109 O 0.03872103191683 0.45119629618490 0.30939721364014 15.999 > 55 110 O 0.03872103191683 0.95119629618490 0.30939721364014 15.999 > 55 111 O 0.96127896808317 0.20119629618490 0.19060278635986 15.999 > 56 112 O 0.96127896808317 0.70119629618490 0.19060278635986 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0127772 0.0000000 -0.0371462 0.0000000 5.2111627 0.0000000 -0.0371488 0.0000000 5.2214746 -------------------------- Born effective charges -------------------------- 1 Ba 2.4578947 -0.0426247 -0.0661213 -0.0377620 2.8712376 0.1004652 -0.0728273 0.0682751 2.9810258 2 Ba 2.4433467 -0.0315628 -0.0132442 -0.0236891 2.7960969 0.0368643 0.0152407 -0.0046312 2.7243492 3 Ba 2.4433467 0.0315628 -0.0132442 0.0236891 2.7960969 -0.0368643 0.0152407 0.0046312 2.7243492 4 Ba 2.4433467 -0.0315628 -0.0132442 -0.0236891 2.7960969 0.0368643 0.0152407 -0.0046312 2.7243492 5 Ba 2.4578947 0.0426247 -0.0661213 0.0377620 2.8712376 -0.1004652 -0.0728273 -0.0682751 2.9810258 6 Ba 2.4578947 0.0426247 -0.0661213 0.0377620 2.8712376 -0.1004652 -0.0728273 -0.0682751 2.9810258 7 Ba 2.4433467 0.0315628 -0.0132442 0.0236891 2.7960969 -0.0368643 0.0152407 0.0046312 2.7243492 8 Ba 2.4578947 -0.0426247 -0.0661213 -0.0377620 2.8712376 0.1004652 -0.0728273 0.0682751 2.9810258 9 In 3.1662688 -0.0374437 0.0045468 -0.0556991 3.3985625 -0.0255224 -0.0761582 0.1694252 3.2498762 10 In 2.9917828 0.0822645 -0.1045674 0.0780626 3.3255937 0.1678257 -0.2046537 -0.0576996 3.2595628 11 In 3.3128765 0.0612892 0.1217866 0.0235149 3.2931594 -0.0400495 0.1255309 0.2573189 3.2072910 12 In 3.3128765 0.0612892 0.1217866 0.0235149 3.2931594 -0.0400495 0.1255309 0.2573189 3.2072910 13 In 2.9917828 -0.0822645 -0.1045674 -0.0780626 3.3255937 -0.1678257 -0.2046537 0.0576996 3.2595628 14 In 3.3128765 -0.0612892 0.1217866 -0.0235149 3.2931594 0.0400495 0.1255309 -0.2573189 3.2072910 15 In 3.6804079 0.0332600 0.0668060 -0.0262026 3.1653368 -0.1708789 0.1216388 0.2285307 3.2670290 16 In 3.1662688 0.0374437 0.0045468 0.0556991 3.3985625 0.0255224 -0.0761582 -0.1694252 3.2498762 17 In 3.6804079 -0.0332600 0.0668060 0.0262026 3.1653368 0.1708789 0.1216388 -0.2285307 3.2670290 18 In 3.1662688 -0.0374437 0.0045468 -0.0556991 3.3985625 -0.0255224 -0.0761582 0.1694252 3.2498762 19 In 3.1662688 0.0374437 0.0045468 0.0556991 3.3985625 0.0255224 -0.0761582 -0.1694252 3.2498762 20 In 3.6804079 0.0332600 0.0668060 -0.0262026 3.1653368 -0.1708789 0.1216388 0.2285307 3.2670290 21 In 3.3128765 -0.0612892 0.1217866 -0.0235149 3.2931594 0.0400495 0.1255309 -0.2573189 3.2072910 22 In 2.9917828 -0.0822645 -0.1045674 -0.0780626 3.3255937 -0.1678257 -0.2046537 0.0576996 3.2595628 23 In 2.9917828 0.0822645 -0.1045674 0.0780626 3.3255937 0.1678257 -0.2046537 -0.0576996 3.2595628 24 In 3.6804079 -0.0332600 0.0668060 0.0262026 3.1653368 0.1708789 0.1216388 -0.2285307 3.2670290 25 O -2.3557225 -0.0204603 -0.4562272 -0.0103760 -2.1817399 -0.0430188 -0.4638433 -0.0505794 -2.6837208 26 O -2.3832295 -0.2726215 0.2438945 -0.2976206 -2.5142372 0.2815880 0.2015965 0.2400819 -2.2211287 27 O -2.2259977 0.0171695 0.5058156 0.0061146 -2.5518331 0.0598579 0.4669700 0.0269582 -2.2578632 28 O -2.2920532 0.1334766 0.2048125 0.2189739 -2.5745185 -0.1957032 0.2385129 -0.2452866 -2.0999750 29 O -2.2240789 -0.1206432 -0.2899255 -0.0984624 -2.0158852 0.0543182 -0.2397950 -0.0195181 -2.6896691 30 O -2.3457921 0.2913291 0.0071921 0.2701393 -2.4165201 -0.2774730 0.0324178 -0.2481430 -2.2441441 31 O -2.3457921 -0.2913291 0.0071921 -0.2701393 -2.4165201 0.2774730 0.0324178 0.2481430 -2.2441441 32 O -2.2240789 -0.1206432 -0.2899255 -0.0984624 -2.0158852 0.0543182 -0.2397950 -0.0195181 -2.6896691 33 O -2.3457921 0.2913291 0.0071921 0.2701393 -2.4165201 -0.2774730 0.0324178 -0.2481430 -2.2441441 34 O -2.1572157 -0.3198106 0.0324759 -0.2058755 -2.2894077 0.2022101 0.1206957 0.2712950 -2.2467565 35 O -2.2259977 -0.0171695 0.5058156 -0.0061146 -2.5518331 -0.0598579 0.4669700 -0.0269582 -2.2578632 36 O -2.2920532 -0.1334766 0.2048125 -0.2189739 -2.5745185 0.1957032 0.2385129 0.2452866 -2.0999750 37 O -2.2240789 0.1206432 -0.2899255 0.0984624 -2.0158852 -0.0543182 -0.2397950 0.0195181 -2.6896691 38 O -2.3457921 -0.2913291 0.0071921 -0.2701393 -2.4165201 0.2774730 0.0324178 0.2481430 -2.2441441 39 O -2.2240789 0.1206432 -0.2899255 0.0984624 -2.0158852 -0.0543182 -0.2397950 0.0195181 -2.6896691 40 O -2.2920532 -0.1334766 0.2048125 -0.2189739 -2.5745185 0.1957032 0.2385129 0.2452866 -2.0999750 41 O -2.2259977 0.0171695 0.5058156 0.0061146 -2.5518331 0.0598579 0.4669700 0.0269582 -2.2578632 42 O -2.1572157 0.3198106 0.0324759 0.2058755 -2.2894077 -0.2022101 0.1206957 -0.2712950 -2.2467565 43 O -2.1572157 -0.3198106 0.0324759 -0.2058755 -2.2894077 0.2022101 0.1206957 0.2712950 -2.2467565 44 O -2.3557225 0.0204603 -0.4562272 0.0103760 -2.1817399 0.0430188 -0.4638433 0.0505794 -2.6837208 45 O -2.3557225 -0.0204603 -0.4562272 -0.0103760 -2.1817399 -0.0430188 -0.4638433 -0.0505794 -2.6837208 46 O -2.3832295 0.2726215 0.2438945 0.2976206 -2.5142372 -0.2815880 0.2015965 -0.2400819 -2.2211287 47 O -2.2259977 -0.0171695 0.5058156 -0.0061146 -2.5518331 -0.0598579 0.4669700 -0.0269582 -2.2578632 48 O -2.3832295 0.2726215 0.2438945 0.2976206 -2.5142372 -0.2815880 0.2015965 -0.2400819 -2.2211287 49 O -2.2920532 0.1334766 0.2048125 0.2189739 -2.5745185 -0.1957032 0.2385129 -0.2452866 -2.0999750 50 O -2.3557225 0.0204603 -0.4562272 0.0103760 -2.1817399 0.0430188 -0.4638433 0.0505794 -2.6837208 51 O -2.0684877 -0.3572384 -0.2572445 -0.3182783 -2.3058450 0.0792686 -0.2653257 0.1421779 -2.2458766 52 O -2.1572157 0.3198106 0.0324759 0.2058755 -2.2894077 -0.2022101 0.1206957 -0.2712950 -2.2467565 53 O -2.3832295 -0.2726215 0.2438945 -0.2976206 -2.5142372 0.2815880 0.2015965 0.2400819 -2.2211287 54 O -2.0684877 0.3572384 -0.2572445 0.3182783 -2.3058450 -0.0792686 -0.2653257 -0.1421779 -2.2458766 55 O -2.0684877 -0.3572384 -0.2572445 -0.3182783 -2.3058450 0.0792686 -0.2653257 0.1421779 -2.2458766 56 O -2.0684877 0.3572384 -0.2572445 0.3182783 -2.3058450 -0.0792686 -0.2653257 -0.1421779 -2.2458766 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 227 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 541 eigenvectors found. (1) Complementary block size: 83 (1) Compute compressed projector. (1) Use standard solver. (1) 55 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 227 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 541 eigenvectors found. (1) Complementary block size: 83 (1) Compute compressed projector. (1) Use standard solver. (1) 55 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 55), data: (1568, 83) @ (83, 55) |-- (568, 541), data: False |-- (568, 32), data: (568, 59) @ (59, 32) |-- (68, 56), data: True |-- (250, 226), data: True |-- (250, 227), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 18), data: (500, 46) @ (46, 18) |-- (250, 232), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 55), data: (1568, 83) @ (83, 55) |-- (568, 541), data: False |-- (568, 32), data: (568, 59) @ (59, 32) |-- (68, 56), data: True |-- (250, 226), data: True |-- (250, 227), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 18), data: (500, 46) @ (46, 18) |-- (250, 232), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.936 Solver_block: 200 / 1680 - Time: 1.674 Solver_block: 300 / 1680 - Time: 1.664 Solver_block: 400 / 1680 - Time: 1.663 Solver_block: 500 / 1680 - Time: 1.659 Solver_block: 600 / 1680 - Time: 1.659 Solver_block: 700 / 1680 - Time: 1.662 Solver_block: 800 / 1680 - Time: 1.659 Solver_block: 900 / 1680 - Time: 1.660 Solver_block: 1000 / 1680 - Time: 1.662 Solver_block: 1100 / 1680 - Time: 1.657 Solver_block: 1200 / 1680 - Time: 1.662 Solver_block: 1300 / 1680 - Time: 1.668 Solver_block: 1400 / 1680 - Time: 1.659 Solver_block: 1500 / 1680 - Time: 1.663 Solver_block: 1600 / 1680 - Time: 1.673 Solver_block: 1680 / 1680 - Time: 1.375 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.103 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 227 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 541 eigenvectors found. (1) Complementary block size: 83 (1) Compute compressed projector. (1) Use standard solver. (1) 55 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 227 eigenvectors found. (2) Block: 500 / 568 (2) 226 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 541 eigenvectors found. (1) Complementary block size: 83 (1) Compute compressed projector. (1) Use standard solver. (1) 55 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 55), data: (1568, 83) @ (83, 55) |-- (568, 541), data: False |-- (568, 32), data: (568, 59) @ (59, 32) |-- (68, 56), data: True |-- (250, 226), data: True |-- (250, 227), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 18), data: (500, 46) @ (46, 18) |-- (250, 232), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 55), data: (1568, 83) @ (83, 55) |-- (568, 541), data: False |-- (568, 32), data: (568, 59) @ (59, 32) |-- (68, 56), data: True |-- (250, 226), data: True |-- (250, 227), data: True |-- (500, 472), data: False |-- (500, 23), data: (500, 51) @ (51, 23) |-- (250, 227), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 18), data: (500, 46) @ (46, 18) |-- (250, 232), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:51:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:51:45]------------------------- 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 10.423380130011990 0.000000000000000 0.000000000000000 b 0.000000000000000 5.851897870000000 0.000000000000000 c -4.935308368623531 0.000000000000000 13.595477855804734 Atomic positions (fractional): 1 Ba 0.57907360916183 0.74392750702581 0.93898578517033 137.327 2 Ba 0.25551587003355 0.75640072876734 0.19136215596438 137.327 3 Ba 0.74448412996645 0.25640072876734 0.30863784403562 137.327 4 Ba 0.74448412996645 0.24359927123266 0.80863784403562 137.327 5 Ba 0.57907360916183 0.75607249297419 0.43898578517033 137.327 6 Ba 0.42092639083817 0.24392750702581 0.56101421482967 137.327 7 Ba 0.25551587003355 0.74359927123266 0.69136215596438 137.327 8 Ba 0.42092639083817 0.25607249297419 0.06101421482967 137.327 9 In 0.87866211961274 0.75535439233747 0.69278836350234 114.818 10 In 0.05554085787301 0.25397303861409 0.05429505165853 114.818 11 In 0.77327051953379 0.24838959044770 0.06977921387503 114.818 12 In 0.22672948046621 0.75161040955230 0.93022078612497 114.818 13 In 0.94445914212699 0.75397303861409 0.44570494834147 114.818 14 In 0.22672948046621 0.74838959044770 0.43022078612497 114.818 15 In 0.41757766743900 0.25612635131670 0.31348661674837 114.818 16 In 0.87866211961274 0.74464560766253 0.19278836350234 114.818 17 In 0.41757766743900 0.24387364868330 0.81348661674837 114.818 18 In 0.12133788038726 0.24464560766253 0.30721163649766 114.818 19 In 0.12133788038726 0.25535439233747 0.80721163649766 114.818 20 In 0.58242233256100 0.74387364868330 0.68651338325163 114.818 21 In 0.77327051953379 0.25161040955230 0.56977921387503 114.818 22 In 0.05554085787301 0.24602696138591 0.55429505165853 114.818 23 In 0.94445914212699 0.74602696138591 0.94570494834147 114.818 24 In 0.58242233256100 0.75612635131670 0.18651338325163 114.818 25 O 0.59106123175913 0.19452050411132 0.94616703392929 15.999 26 O 0.49096627376838 0.48063571909203 0.23151290046464 15.999 27 O 0.91909529088009 0.55276385503587 0.56538580894044 15.999 28 O 0.71523243174642 0.49413904343305 0.65406528646754 15.999 29 O 0.21721584580486 0.29847868178338 0.68372365751876 15.999 30 O 0.68791803006564 0.54089095729956 0.11452261007959 15.999 31 O 0.68791803006564 0.95910904270044 0.61452261007958 15.999 32 O 0.78278415419514 0.70152131821662 0.31627634248124 15.999 33 O 0.31208196993436 0.45910904270044 0.88547738992042 15.999 34 O 0.86683472368171 0.42344770088120 0.97940108098829 15.999 35 O 0.91909529088009 0.94723614496413 0.06538580894044 15.999 36 O 0.28476756825358 0.99413904343306 0.84593471353246 15.999 37 O 0.78278415419514 0.79847868178338 0.81627634248124 15.999 38 O 0.31208196993436 0.04089095729956 0.38547738992042 15.999 39 O 0.21721584580486 0.20152131821662 0.18372365751876 15.999 40 O 0.71523243174642 0.00586095656695 0.15406528646754 15.999 41 O 0.08090470911991 0.44723614496413 0.43461419105956 15.999 42 O 0.13316527631829 0.92344770088120 0.52059891901171 15.999 43 O 0.13316527631829 0.57655229911880 0.02059891901171 15.999 44 O 0.40893876824087 0.69452050411132 0.55383296607071 15.999 45 O 0.40893876824087 0.80547949588868 0.05383296607071 15.999 46 O 0.49096627376838 0.01936428090797 0.73151290046464 15.999 47 O 0.08090470911991 0.05276385503587 0.93461419105956 15.999 48 O 0.50903372623162 0.98063571909203 0.26848709953536 15.999 49 O 0.28476756825358 0.50586095656694 0.34593471353247 15.999 50 O 0.59106123175913 0.30547949588868 0.44616703392929 15.999 51 O 0.96127896808317 0.09760740763020 0.69060278635986 15.999 52 O 0.86683472368171 0.07655229911880 0.47940108098829 15.999 53 O 0.50903372623162 0.51936428090797 0.76848709953536 15.999 54 O 0.03872103191683 0.59760740763020 0.80939721364014 15.999 55 O 0.03872103191683 0.90239259236980 0.30939721364014 15.999 56 O 0.96127896808317 0.40239259236980 0.19060278635986 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.423380130011990 0.000000000000000 0.000000000000000 b 0.000000000000000 11.703795740000000 0.000000000000000 c -4.935308368623531 0.000000000000000 13.595477855804734 Atomic positions (fractional): 1 Ba 0.57907360916183 0.37196375351290 0.93898578517033 137.327 > 1 2 Ba 0.57907360916183 0.87196375351290 0.93898578517033 137.327 > 1 3 Ba 0.25551587003355 0.37820036438367 0.19136215596438 137.327 > 3 4 Ba 0.25551587003355 0.87820036438367 0.19136215596438 137.327 > 3 5 Ba 0.74448412996645 0.12820036438367 0.30863784403562 137.327 > 5 6 Ba 0.74448412996645 0.62820036438367 0.30863784403562 137.327 > 5 7 Ba 0.74448412996645 0.12179963561633 0.80863784403562 137.327 > 7 8 Ba 0.74448412996645 0.62179963561633 0.80863784403562 137.327 > 7 9 Ba 0.57907360916183 0.37803624648710 0.43898578517033 137.327 > 9 10 Ba 0.57907360916183 0.87803624648710 0.43898578517033 137.327 > 9 11 Ba 0.42092639083817 0.12196375351290 0.56101421482967 137.327 > 11 12 Ba 0.42092639083817 0.62196375351290 0.56101421482967 137.327 > 11 13 Ba 0.25551587003355 0.37179963561633 0.69136215596438 137.327 > 13 14 Ba 0.25551587003355 0.87179963561633 0.69136215596438 137.327 > 13 15 Ba 0.42092639083817 0.12803624648710 0.06101421482967 137.327 > 15 16 Ba 0.42092639083817 0.62803624648710 0.06101421482967 137.327 > 15 17 In 0.87866211961274 0.37767719616873 0.69278836350234 114.818 > 17 18 In 0.87866211961274 0.87767719616873 0.69278836350234 114.818 > 17 19 In 0.05554085787301 0.12698651930705 0.05429505165853 114.818 > 19 20 In 0.05554085787301 0.62698651930705 0.05429505165853 114.818 > 19 21 In 0.77327051953379 0.12419479522385 0.06977921387503 114.818 > 21 22 In 0.77327051953379 0.62419479522385 0.06977921387503 114.818 > 21 23 In 0.22672948046621 0.37580520477615 0.93022078612497 114.818 > 23 24 In 0.22672948046621 0.87580520477615 0.93022078612497 114.818 > 23 25 In 0.94445914212699 0.37698651930705 0.44570494834147 114.818 > 25 26 In 0.94445914212699 0.87698651930705 0.44570494834147 114.818 > 25 27 In 0.22672948046621 0.37419479522385 0.43022078612497 114.818 > 27 28 In 0.22672948046621 0.87419479522385 0.43022078612497 114.818 > 27 29 In 0.41757766743900 0.12806317565835 0.31348661674837 114.818 > 29 30 In 0.41757766743900 0.62806317565835 0.31348661674837 114.818 > 29 31 In 0.87866211961274 0.37232280383127 0.19278836350234 114.818 > 31 32 In 0.87866211961274 0.87232280383127 0.19278836350234 114.818 > 31 33 In 0.41757766743900 0.12193682434165 0.81348661674837 114.818 > 33 34 In 0.41757766743900 0.62193682434165 0.81348661674837 114.818 > 33 35 In 0.12133788038726 0.12232280383127 0.30721163649766 114.818 > 35 36 In 0.12133788038726 0.62232280383127 0.30721163649766 114.818 > 35 37 In 0.12133788038726 0.12767719616873 0.80721163649766 114.818 > 37 38 In 0.12133788038726 0.62767719616873 0.80721163649766 114.818 > 37 39 In 0.58242233256100 0.37193682434165 0.68651338325163 114.818 > 39 40 In 0.58242233256100 0.87193682434165 0.68651338325163 114.818 > 39 41 In 0.77327051953379 0.12580520477615 0.56977921387503 114.818 > 41 42 In 0.77327051953379 0.62580520477615 0.56977921387503 114.818 > 41 43 In 0.05554085787301 0.12301348069295 0.55429505165853 114.818 > 43 44 In 0.05554085787301 0.62301348069295 0.55429505165853 114.818 > 43 45 In 0.94445914212699 0.37301348069295 0.94570494834147 114.818 > 45 46 In 0.94445914212699 0.87301348069295 0.94570494834147 114.818 > 45 47 In 0.58242233256100 0.37806317565835 0.18651338325163 114.818 > 47 48 In 0.58242233256100 0.87806317565835 0.18651338325163 114.818 > 47 49 O 0.59106123175913 0.09726025205566 0.94616703392929 15.999 > 49 50 O 0.59106123175913 0.59726025205566 0.94616703392929 15.999 > 49 51 O 0.49096627376838 0.24031785954602 0.23151290046464 15.999 > 51 52 O 0.49096627376838 0.74031785954602 0.23151290046464 15.999 > 51 53 O 0.91909529088009 0.27638192751794 0.56538580894044 15.999 > 53 54 O 0.91909529088009 0.77638192751794 0.56538580894044 15.999 > 53 55 O 0.71523243174642 0.24706952171653 0.65406528646754 15.999 > 55 56 O 0.71523243174642 0.74706952171653 0.65406528646754 15.999 > 55 57 O 0.21721584580486 0.14923934089169 0.68372365751876 15.999 > 57 58 O 0.21721584580486 0.64923934089169 0.68372365751876 15.999 > 57 59 O 0.68791803006564 0.27044547864978 0.11452261007959 15.999 > 59 60 O 0.68791803006564 0.77044547864978 0.11452261007959 15.999 > 59 61 O 0.68791803006564 0.47955452135022 0.61452261007958 15.999 > 61 62 O 0.68791803006564 0.97955452135022 0.61452261007958 15.999 > 61 63 O 0.78278415419514 0.35076065910831 0.31627634248124 15.999 > 63 64 O 0.78278415419514 0.85076065910831 0.31627634248124 15.999 > 63 65 O 0.31208196993436 0.22955452135022 0.88547738992042 15.999 > 65 66 O 0.31208196993436 0.72955452135022 0.88547738992042 15.999 > 65 67 O 0.86683472368171 0.21172385044060 0.97940108098829 15.999 > 67 68 O 0.86683472368171 0.71172385044060 0.97940108098829 15.999 > 67 69 O 0.91909529088009 0.47361807248206 0.06538580894044 15.999 > 69 70 O 0.91909529088009 0.97361807248206 0.06538580894044 15.999 > 69 71 O 0.28476756825358 0.49706952171653 0.84593471353246 15.999 > 71 72 O 0.28476756825358 0.99706952171653 0.84593471353246 15.999 > 71 73 O 0.78278415419514 0.39923934089169 0.81627634248124 15.999 > 73 74 O 0.78278415419514 0.89923934089169 0.81627634248124 15.999 > 73 75 O 0.31208196993436 0.02044547864978 0.38547738992042 15.999 > 75 76 O 0.31208196993436 0.52044547864978 0.38547738992042 15.999 > 75 77 O 0.21721584580486 0.10076065910831 0.18372365751876 15.999 > 77 78 O 0.21721584580486 0.60076065910831 0.18372365751876 15.999 > 77 79 O 0.71523243174642 0.00293047828347 0.15406528646754 15.999 > 79 80 O 0.71523243174642 0.50293047828347 0.15406528646754 15.999 > 79 81 O 0.08090470911991 0.22361807248206 0.43461419105956 15.999 > 81 82 O 0.08090470911991 0.72361807248206 0.43461419105956 15.999 > 81 83 O 0.13316527631829 0.46172385044060 0.52059891901171 15.999 > 83 84 O 0.13316527631829 0.96172385044060 0.52059891901171 15.999 > 83 85 O 0.13316527631829 0.28827614955940 0.02059891901171 15.999 > 85 86 O 0.13316527631829 0.78827614955940 0.02059891901171 15.999 > 85 87 O 0.40893876824087 0.34726025205566 0.55383296607071 15.999 > 87 88 O 0.40893876824087 0.84726025205566 0.55383296607071 15.999 > 87 89 O 0.40893876824087 0.40273974794434 0.05383296607071 15.999 > 89 90 O 0.40893876824087 0.90273974794434 0.05383296607071 15.999 > 89 91 O 0.49096627376838 0.00968214045398 0.73151290046464 15.999 > 91 92 O 0.49096627376838 0.50968214045398 0.73151290046464 15.999 > 91 93 O 0.08090470911991 0.02638192751794 0.93461419105956 15.999 > 93 94 O 0.08090470911991 0.52638192751794 0.93461419105956 15.999 > 93 95 O 0.50903372623162 0.49031785954602 0.26848709953536 15.999 > 95 96 O 0.50903372623162 0.99031785954602 0.26848709953536 15.999 > 95 97 O 0.28476756825358 0.25293047828347 0.34593471353247 15.999 > 97 98 O 0.28476756825358 0.75293047828347 0.34593471353247 15.999 > 97 99 O 0.59106123175913 0.15273974794434 0.44616703392929 15.999 > 99 100 O 0.59106123175913 0.65273974794434 0.44616703392929 15.999 > 99 101 O 0.96127896808317 0.04880370381510 0.69060278635986 15.999 > 101 102 O 0.96127896808317 0.54880370381510 0.69060278635986 15.999 > 101 103 O 0.86683472368171 0.03827614955940 0.47940108098829 15.999 > 103 104 O 0.86683472368171 0.53827614955940 0.47940108098829 15.999 > 103 105 O 0.50903372623162 0.25968214045398 0.76848709953536 15.999 > 105 106 O 0.50903372623162 0.75968214045398 0.76848709953536 15.999 > 105 107 O 0.03872103191683 0.29880370381510 0.80939721364014 15.999 > 107 108 O 0.03872103191683 0.79880370381510 0.80939721364014 15.999 > 107 109 O 0.03872103191683 0.45119629618490 0.30939721364014 15.999 > 109 110 O 0.03872103191683 0.95119629618490 0.30939721364014 15.999 > 109 111 O 0.96127896808317 0.20119629618490 0.19060278635986 15.999 > 111 112 O 0.96127896808317 0.70119629618490 0.19060278635986 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0127772 0.0000000 -0.0371462 0.0000000 5.2111627 0.0000000 -0.0371488 0.0000000 5.2214746 -------------------------- Born effective charges -------------------------- 1 Ba 2.4578947 -0.0426247 -0.0661213 -0.0377620 2.8712376 0.1004652 -0.0728273 0.0682751 2.9810258 2 Ba 2.4433467 -0.0315628 -0.0132442 -0.0236891 2.7960969 0.0368643 0.0152407 -0.0046312 2.7243492 3 Ba 2.4433467 0.0315628 -0.0132442 0.0236891 2.7960969 -0.0368643 0.0152407 0.0046312 2.7243492 4 Ba 2.4433467 -0.0315628 -0.0132442 -0.0236891 2.7960969 0.0368643 0.0152407 -0.0046312 2.7243492 5 Ba 2.4578947 0.0426247 -0.0661213 0.0377620 2.8712376 -0.1004652 -0.0728273 -0.0682751 2.9810258 6 Ba 2.4578947 0.0426247 -0.0661213 0.0377620 2.8712376 -0.1004652 -0.0728273 -0.0682751 2.9810258 7 Ba 2.4433467 0.0315628 -0.0132442 0.0236891 2.7960969 -0.0368643 0.0152407 0.0046312 2.7243492 8 Ba 2.4578947 -0.0426247 -0.0661213 -0.0377620 2.8712376 0.1004652 -0.0728273 0.0682751 2.9810258 9 In 3.1662688 -0.0374437 0.0045468 -0.0556991 3.3985625 -0.0255224 -0.0761582 0.1694252 3.2498762 10 In 2.9917828 0.0822645 -0.1045674 0.0780626 3.3255937 0.1678257 -0.2046537 -0.0576996 3.2595628 11 In 3.3128765 0.0612892 0.1217866 0.0235149 3.2931594 -0.0400495 0.1255309 0.2573189 3.2072910 12 In 3.3128765 0.0612892 0.1217866 0.0235149 3.2931594 -0.0400495 0.1255309 0.2573189 3.2072910 13 In 2.9917828 -0.0822645 -0.1045674 -0.0780626 3.3255937 -0.1678257 -0.2046537 0.0576996 3.2595628 14 In 3.3128765 -0.0612892 0.1217866 -0.0235149 3.2931594 0.0400495 0.1255309 -0.2573189 3.2072910 15 In 3.6804079 0.0332600 0.0668060 -0.0262026 3.1653368 -0.1708789 0.1216388 0.2285307 3.2670290 16 In 3.1662688 0.0374437 0.0045468 0.0556991 3.3985625 0.0255224 -0.0761582 -0.1694252 3.2498762 17 In 3.6804079 -0.0332600 0.0668060 0.0262026 3.1653368 0.1708789 0.1216388 -0.2285307 3.2670290 18 In 3.1662688 -0.0374437 0.0045468 -0.0556991 3.3985625 -0.0255224 -0.0761582 0.1694252 3.2498762 19 In 3.1662688 0.0374437 0.0045468 0.0556991 3.3985625 0.0255224 -0.0761582 -0.1694252 3.2498762 20 In 3.6804079 0.0332600 0.0668060 -0.0262026 3.1653368 -0.1708789 0.1216388 0.2285307 3.2670290 21 In 3.3128765 -0.0612892 0.1217866 -0.0235149 3.2931594 0.0400495 0.1255309 -0.2573189 3.2072910 22 In 2.9917828 -0.0822645 -0.1045674 -0.0780626 3.3255937 -0.1678257 -0.2046537 0.0576996 3.2595628 23 In 2.9917828 0.0822645 -0.1045674 0.0780626 3.3255937 0.1678257 -0.2046537 -0.0576996 3.2595628 24 In 3.6804079 -0.0332600 0.0668060 0.0262026 3.1653368 0.1708789 0.1216388 -0.2285307 3.2670290 25 O -2.3557225 -0.0204603 -0.4562272 -0.0103760 -2.1817399 -0.0430188 -0.4638433 -0.0505794 -2.6837208 26 O -2.3832295 -0.2726215 0.2438945 -0.2976206 -2.5142372 0.2815880 0.2015965 0.2400819 -2.2211287 27 O -2.2259977 0.0171695 0.5058156 0.0061146 -2.5518331 0.0598579 0.4669700 0.0269582 -2.2578632 28 O -2.2920532 0.1334766 0.2048125 0.2189739 -2.5745185 -0.1957032 0.2385129 -0.2452866 -2.0999750 29 O -2.2240789 -0.1206432 -0.2899255 -0.0984624 -2.0158852 0.0543182 -0.2397950 -0.0195181 -2.6896691 30 O -2.3457921 0.2913291 0.0071921 0.2701393 -2.4165201 -0.2774730 0.0324178 -0.2481430 -2.2441441 31 O -2.3457921 -0.2913291 0.0071921 -0.2701393 -2.4165201 0.2774730 0.0324178 0.2481430 -2.2441441 32 O -2.2240789 -0.1206432 -0.2899255 -0.0984624 -2.0158852 0.0543182 -0.2397950 -0.0195181 -2.6896691 33 O -2.3457921 0.2913291 0.0071921 0.2701393 -2.4165201 -0.2774730 0.0324178 -0.2481430 -2.2441441 34 O -2.1572157 -0.3198106 0.0324759 -0.2058755 -2.2894077 0.2022101 0.1206957 0.2712950 -2.2467565 35 O -2.2259977 -0.0171695 0.5058156 -0.0061146 -2.5518331 -0.0598579 0.4669700 -0.0269582 -2.2578632 36 O -2.2920532 -0.1334766 0.2048125 -0.2189739 -2.5745185 0.1957032 0.2385129 0.2452866 -2.0999750 37 O -2.2240789 0.1206432 -0.2899255 0.0984624 -2.0158852 -0.0543182 -0.2397950 0.0195181 -2.6896691 38 O -2.3457921 -0.2913291 0.0071921 -0.2701393 -2.4165201 0.2774730 0.0324178 0.2481430 -2.2441441 39 O -2.2240789 0.1206432 -0.2899255 0.0984624 -2.0158852 -0.0543182 -0.2397950 0.0195181 -2.6896691 40 O -2.2920532 -0.1334766 0.2048125 -0.2189739 -2.5745185 0.1957032 0.2385129 0.2452866 -2.0999750 41 O -2.2259977 0.0171695 0.5058156 0.0061146 -2.5518331 0.0598579 0.4669700 0.0269582 -2.2578632 42 O -2.1572157 0.3198106 0.0324759 0.2058755 -2.2894077 -0.2022101 0.1206957 -0.2712950 -2.2467565 43 O -2.1572157 -0.3198106 0.0324759 -0.2058755 -2.2894077 0.2022101 0.1206957 0.2712950 -2.2467565 44 O -2.3557225 0.0204603 -0.4562272 0.0103760 -2.1817399 0.0430188 -0.4638433 0.0505794 -2.6837208 45 O -2.3557225 -0.0204603 -0.4562272 -0.0103760 -2.1817399 -0.0430188 -0.4638433 -0.0505794 -2.6837208 46 O -2.3832295 0.2726215 0.2438945 0.2976206 -2.5142372 -0.2815880 0.2015965 -0.2400819 -2.2211287 47 O -2.2259977 -0.0171695 0.5058156 -0.0061146 -2.5518331 -0.0598579 0.4669700 -0.0269582 -2.2578632 48 O -2.3832295 0.2726215 0.2438945 0.2976206 -2.5142372 -0.2815880 0.2015965 -0.2400819 -2.2211287 49 O -2.2920532 0.1334766 0.2048125 0.2189739 -2.5745185 -0.1957032 0.2385129 -0.2452866 -2.0999750 50 O -2.3557225 0.0204603 -0.4562272 0.0103760 -2.1817399 0.0430188 -0.4638433 0.0505794 -2.6837208 51 O -2.0684877 -0.3572384 -0.2572445 -0.3182783 -2.3058450 0.0792686 -0.2653257 0.1421779 -2.2458766 52 O -2.1572157 0.3198106 0.0324759 0.2058755 -2.2894077 -0.2022101 0.1206957 -0.2712950 -2.2467565 53 O -2.3832295 -0.2726215 0.2438945 -0.2976206 -2.5142372 0.2815880 0.2015965 0.2400819 -2.2211287 54 O -2.0684877 0.3572384 -0.2572445 0.3182783 -2.3058450 -0.0792686 -0.2653257 -0.1421779 -2.2458766 55 O -2.0684877 -0.3572384 -0.2572445 -0.3182783 -2.3058450 0.0792686 -0.2653257 0.1421779 -2.2458766 56 O -2.0684877 0.3572384 -0.2572445 0.3182783 -2.3058450 -0.0792686 -0.2653257 -0.1421779 -2.2458766 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 21, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 29, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 53, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 67, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 101, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:52:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:52:50]------------------------- 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 10.423380130011990 0.000000000000000 0.000000000000000 b 0.000000000000000 5.851897870000000 0.000000000000000 c -4.935308368623531 0.000000000000000 13.595477855804734 Atomic positions (fractional): 1 Ba 0.57907360916183 0.74392750702581 0.93898578517033 137.327 2 Ba 0.25551587003355 0.75640072876734 0.19136215596438 137.327 3 Ba 0.74448412996645 0.25640072876734 0.30863784403562 137.327 4 Ba 0.74448412996645 0.24359927123266 0.80863784403562 137.327 5 Ba 0.57907360916183 0.75607249297419 0.43898578517033 137.327 6 Ba 0.42092639083817 0.24392750702581 0.56101421482967 137.327 7 Ba 0.25551587003355 0.74359927123266 0.69136215596438 137.327 8 Ba 0.42092639083817 0.25607249297419 0.06101421482967 137.327 9 In 0.87866211961274 0.75535439233747 0.69278836350234 114.818 10 In 0.05554085787301 0.25397303861409 0.05429505165853 114.818 11 In 0.77327051953379 0.24838959044770 0.06977921387503 114.818 12 In 0.22672948046621 0.75161040955230 0.93022078612497 114.818 13 In 0.94445914212699 0.75397303861409 0.44570494834147 114.818 14 In 0.22672948046621 0.74838959044770 0.43022078612497 114.818 15 In 0.41757766743900 0.25612635131670 0.31348661674837 114.818 16 In 0.87866211961274 0.74464560766253 0.19278836350234 114.818 17 In 0.41757766743900 0.24387364868330 0.81348661674837 114.818 18 In 0.12133788038726 0.24464560766253 0.30721163649766 114.818 19 In 0.12133788038726 0.25535439233747 0.80721163649766 114.818 20 In 0.58242233256100 0.74387364868330 0.68651338325163 114.818 21 In 0.77327051953379 0.25161040955230 0.56977921387503 114.818 22 In 0.05554085787301 0.24602696138591 0.55429505165853 114.818 23 In 0.94445914212699 0.74602696138591 0.94570494834147 114.818 24 In 0.58242233256100 0.75612635131670 0.18651338325163 114.818 25 O 0.59106123175913 0.19452050411132 0.94616703392929 15.999 26 O 0.49096627376838 0.48063571909203 0.23151290046464 15.999 27 O 0.91909529088009 0.55276385503587 0.56538580894044 15.999 28 O 0.71523243174642 0.49413904343305 0.65406528646754 15.999 29 O 0.21721584580486 0.29847868178338 0.68372365751876 15.999 30 O 0.68791803006564 0.54089095729956 0.11452261007959 15.999 31 O 0.68791803006564 0.95910904270044 0.61452261007958 15.999 32 O 0.78278415419514 0.70152131821662 0.31627634248124 15.999 33 O 0.31208196993436 0.45910904270044 0.88547738992042 15.999 34 O 0.86683472368171 0.42344770088120 0.97940108098829 15.999 35 O 0.91909529088009 0.94723614496413 0.06538580894044 15.999 36 O 0.28476756825358 0.99413904343306 0.84593471353246 15.999 37 O 0.78278415419514 0.79847868178338 0.81627634248124 15.999 38 O 0.31208196993436 0.04089095729956 0.38547738992042 15.999 39 O 0.21721584580486 0.20152131821662 0.18372365751876 15.999 40 O 0.71523243174642 0.00586095656695 0.15406528646754 15.999 41 O 0.08090470911991 0.44723614496413 0.43461419105956 15.999 42 O 0.13316527631829 0.92344770088120 0.52059891901171 15.999 43 O 0.13316527631829 0.57655229911880 0.02059891901171 15.999 44 O 0.40893876824087 0.69452050411132 0.55383296607071 15.999 45 O 0.40893876824087 0.80547949588868 0.05383296607071 15.999 46 O 0.49096627376838 0.01936428090797 0.73151290046464 15.999 47 O 0.08090470911991 0.05276385503587 0.93461419105956 15.999 48 O 0.50903372623162 0.98063571909203 0.26848709953536 15.999 49 O 0.28476756825358 0.50586095656694 0.34593471353247 15.999 50 O 0.59106123175913 0.30547949588868 0.44616703392929 15.999 51 O 0.96127896808317 0.09760740763020 0.69060278635986 15.999 52 O 0.86683472368171 0.07655229911880 0.47940108098829 15.999 53 O 0.50903372623162 0.51936428090797 0.76848709953536 15.999 54 O 0.03872103191683 0.59760740763020 0.80939721364014 15.999 55 O 0.03872103191683 0.90239259236980 0.30939721364014 15.999 56 O 0.96127896808317 0.40239259236980 0.19060278635986 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.423380130011990 0.000000000000000 0.000000000000000 b 0.000000000000000 11.703795740000000 0.000000000000000 c -4.935308368623531 0.000000000000000 13.595477855804734 Atomic positions (fractional): 1 Ba 0.57907360916183 0.37196375351290 0.93898578517033 137.327 > 1 2 Ba 0.57907360916183 0.87196375351290 0.93898578517033 137.327 > 1 3 Ba 0.25551587003355 0.37820036438367 0.19136215596438 137.327 > 3 4 Ba 0.25551587003355 0.87820036438367 0.19136215596438 137.327 > 3 5 Ba 0.74448412996645 0.12820036438367 0.30863784403562 137.327 > 5 6 Ba 0.74448412996645 0.62820036438367 0.30863784403562 137.327 > 5 7 Ba 0.74448412996645 0.12179963561633 0.80863784403562 137.327 > 7 8 Ba 0.74448412996645 0.62179963561633 0.80863784403562 137.327 > 7 9 Ba 0.57907360916183 0.37803624648710 0.43898578517033 137.327 > 9 10 Ba 0.57907360916183 0.87803624648710 0.43898578517033 137.327 > 9 11 Ba 0.42092639083817 0.12196375351290 0.56101421482967 137.327 > 11 12 Ba 0.42092639083817 0.62196375351290 0.56101421482967 137.327 > 11 13 Ba 0.25551587003355 0.37179963561633 0.69136215596438 137.327 > 13 14 Ba 0.25551587003355 0.87179963561633 0.69136215596438 137.327 > 13 15 Ba 0.42092639083817 0.12803624648710 0.06101421482967 137.327 > 15 16 Ba 0.42092639083817 0.62803624648710 0.06101421482967 137.327 > 15 17 In 0.87866211961274 0.37767719616873 0.69278836350234 114.818 > 17 18 In 0.87866211961274 0.87767719616873 0.69278836350234 114.818 > 17 19 In 0.05554085787301 0.12698651930705 0.05429505165853 114.818 > 19 20 In 0.05554085787301 0.62698651930705 0.05429505165853 114.818 > 19 21 In 0.77327051953379 0.12419479522385 0.06977921387503 114.818 > 21 22 In 0.77327051953379 0.62419479522385 0.06977921387503 114.818 > 21 23 In 0.22672948046621 0.37580520477615 0.93022078612497 114.818 > 23 24 In 0.22672948046621 0.87580520477615 0.93022078612497 114.818 > 23 25 In 0.94445914212699 0.37698651930705 0.44570494834147 114.818 > 25 26 In 0.94445914212699 0.87698651930705 0.44570494834147 114.818 > 25 27 In 0.22672948046621 0.37419479522385 0.43022078612497 114.818 > 27 28 In 0.22672948046621 0.87419479522385 0.43022078612497 114.818 > 27 29 In 0.41757766743900 0.12806317565835 0.31348661674837 114.818 > 29 30 In 0.41757766743900 0.62806317565835 0.31348661674837 114.818 > 29 31 In 0.87866211961274 0.37232280383127 0.19278836350234 114.818 > 31 32 In 0.87866211961274 0.87232280383127 0.19278836350234 114.818 > 31 33 In 0.41757766743900 0.12193682434165 0.81348661674837 114.818 > 33 34 In 0.41757766743900 0.62193682434165 0.81348661674837 114.818 > 33 35 In 0.12133788038726 0.12232280383127 0.30721163649766 114.818 > 35 36 In 0.12133788038726 0.62232280383127 0.30721163649766 114.818 > 35 37 In 0.12133788038726 0.12767719616873 0.80721163649766 114.818 > 37 38 In 0.12133788038726 0.62767719616873 0.80721163649766 114.818 > 37 39 In 0.58242233256100 0.37193682434165 0.68651338325163 114.818 > 39 40 In 0.58242233256100 0.87193682434165 0.68651338325163 114.818 > 39 41 In 0.77327051953379 0.12580520477615 0.56977921387503 114.818 > 41 42 In 0.77327051953379 0.62580520477615 0.56977921387503 114.818 > 41 43 In 0.05554085787301 0.12301348069295 0.55429505165853 114.818 > 43 44 In 0.05554085787301 0.62301348069295 0.55429505165853 114.818 > 43 45 In 0.94445914212699 0.37301348069295 0.94570494834147 114.818 > 45 46 In 0.94445914212699 0.87301348069295 0.94570494834147 114.818 > 45 47 In 0.58242233256100 0.37806317565835 0.18651338325163 114.818 > 47 48 In 0.58242233256100 0.87806317565835 0.18651338325163 114.818 > 47 49 O 0.59106123175913 0.09726025205566 0.94616703392929 15.999 > 49 50 O 0.59106123175913 0.59726025205566 0.94616703392929 15.999 > 49 51 O 0.49096627376838 0.24031785954602 0.23151290046464 15.999 > 51 52 O 0.49096627376838 0.74031785954602 0.23151290046464 15.999 > 51 53 O 0.91909529088009 0.27638192751794 0.56538580894044 15.999 > 53 54 O 0.91909529088009 0.77638192751794 0.56538580894044 15.999 > 53 55 O 0.71523243174642 0.24706952171653 0.65406528646754 15.999 > 55 56 O 0.71523243174642 0.74706952171653 0.65406528646754 15.999 > 55 57 O 0.21721584580486 0.14923934089169 0.68372365751876 15.999 > 57 58 O 0.21721584580486 0.64923934089169 0.68372365751876 15.999 > 57 59 O 0.68791803006564 0.27044547864978 0.11452261007959 15.999 > 59 60 O 0.68791803006564 0.77044547864978 0.11452261007959 15.999 > 59 61 O 0.68791803006564 0.47955452135022 0.61452261007958 15.999 > 61 62 O 0.68791803006564 0.97955452135022 0.61452261007958 15.999 > 61 63 O 0.78278415419514 0.35076065910831 0.31627634248124 15.999 > 63 64 O 0.78278415419514 0.85076065910831 0.31627634248124 15.999 > 63 65 O 0.31208196993436 0.22955452135022 0.88547738992042 15.999 > 65 66 O 0.31208196993436 0.72955452135022 0.88547738992042 15.999 > 65 67 O 0.86683472368171 0.21172385044060 0.97940108098829 15.999 > 67 68 O 0.86683472368171 0.71172385044060 0.97940108098829 15.999 > 67 69 O 0.91909529088009 0.47361807248206 0.06538580894044 15.999 > 69 70 O 0.91909529088009 0.97361807248206 0.06538580894044 15.999 > 69 71 O 0.28476756825358 0.49706952171653 0.84593471353246 15.999 > 71 72 O 0.28476756825358 0.99706952171653 0.84593471353246 15.999 > 71 73 O 0.78278415419514 0.39923934089169 0.81627634248124 15.999 > 73 74 O 0.78278415419514 0.89923934089169 0.81627634248124 15.999 > 73 75 O 0.31208196993436 0.02044547864978 0.38547738992042 15.999 > 75 76 O 0.31208196993436 0.52044547864978 0.38547738992042 15.999 > 75 77 O 0.21721584580486 0.10076065910831 0.18372365751876 15.999 > 77 78 O 0.21721584580486 0.60076065910831 0.18372365751876 15.999 > 77 79 O 0.71523243174642 0.00293047828347 0.15406528646754 15.999 > 79 80 O 0.71523243174642 0.50293047828347 0.15406528646754 15.999 > 79 81 O 0.08090470911991 0.22361807248206 0.43461419105956 15.999 > 81 82 O 0.08090470911991 0.72361807248206 0.43461419105956 15.999 > 81 83 O 0.13316527631829 0.46172385044060 0.52059891901171 15.999 > 83 84 O 0.13316527631829 0.96172385044060 0.52059891901171 15.999 > 83 85 O 0.13316527631829 0.28827614955940 0.02059891901171 15.999 > 85 86 O 0.13316527631829 0.78827614955940 0.02059891901171 15.999 > 85 87 O 0.40893876824087 0.34726025205566 0.55383296607071 15.999 > 87 88 O 0.40893876824087 0.84726025205566 0.55383296607071 15.999 > 87 89 O 0.40893876824087 0.40273974794434 0.05383296607071 15.999 > 89 90 O 0.40893876824087 0.90273974794434 0.05383296607071 15.999 > 89 91 O 0.49096627376838 0.00968214045398 0.73151290046464 15.999 > 91 92 O 0.49096627376838 0.50968214045398 0.73151290046464 15.999 > 91 93 O 0.08090470911991 0.02638192751794 0.93461419105956 15.999 > 93 94 O 0.08090470911991 0.52638192751794 0.93461419105956 15.999 > 93 95 O 0.50903372623162 0.49031785954602 0.26848709953536 15.999 > 95 96 O 0.50903372623162 0.99031785954602 0.26848709953536 15.999 > 95 97 O 0.28476756825358 0.25293047828347 0.34593471353247 15.999 > 97 98 O 0.28476756825358 0.75293047828347 0.34593471353247 15.999 > 97 99 O 0.59106123175913 0.15273974794434 0.44616703392929 15.999 > 99 100 O 0.59106123175913 0.65273974794434 0.44616703392929 15.999 > 99 101 O 0.96127896808317 0.04880370381510 0.69060278635986 15.999 > 101 102 O 0.96127896808317 0.54880370381510 0.69060278635986 15.999 > 101 103 O 0.86683472368171 0.03827614955940 0.47940108098829 15.999 > 103 104 O 0.86683472368171 0.53827614955940 0.47940108098829 15.999 > 103 105 O 0.50903372623162 0.25968214045398 0.76848709953536 15.999 > 105 106 O 0.50903372623162 0.75968214045398 0.76848709953536 15.999 > 105 107 O 0.03872103191683 0.29880370381510 0.80939721364014 15.999 > 107 108 O 0.03872103191683 0.79880370381510 0.80939721364014 15.999 > 107 109 O 0.03872103191683 0.45119629618490 0.30939721364014 15.999 > 109 110 O 0.03872103191683 0.95119629618490 0.30939721364014 15.999 > 109 111 O 0.96127896808317 0.20119629618490 0.19060278635986 15.999 > 111 112 O 0.96127896808317 0.70119629618490 0.19060278635986 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0127772 0.0000000 -0.0371462 0.0000000 5.2111627 0.0000000 -0.0371488 0.0000000 5.2214746 -------------------------- Born effective charges -------------------------- 1 Ba 2.4578947 -0.0426247 -0.0661213 -0.0377620 2.8712376 0.1004652 -0.0728273 0.0682751 2.9810258 2 Ba 2.4433467 -0.0315628 -0.0132442 -0.0236891 2.7960969 0.0368643 0.0152407 -0.0046312 2.7243492 3 Ba 2.4433467 0.0315628 -0.0132442 0.0236891 2.7960969 -0.0368643 0.0152407 0.0046312 2.7243492 4 Ba 2.4433467 -0.0315628 -0.0132442 -0.0236891 2.7960969 0.0368643 0.0152407 -0.0046312 2.7243492 5 Ba 2.4578947 0.0426247 -0.0661213 0.0377620 2.8712376 -0.1004652 -0.0728273 -0.0682751 2.9810258 6 Ba 2.4578947 0.0426247 -0.0661213 0.0377620 2.8712376 -0.1004652 -0.0728273 -0.0682751 2.9810258 7 Ba 2.4433467 0.0315628 -0.0132442 0.0236891 2.7960969 -0.0368643 0.0152407 0.0046312 2.7243492 8 Ba 2.4578947 -0.0426247 -0.0661213 -0.0377620 2.8712376 0.1004652 -0.0728273 0.0682751 2.9810258 9 In 3.1662688 -0.0374437 0.0045468 -0.0556991 3.3985625 -0.0255224 -0.0761582 0.1694252 3.2498762 10 In 2.9917828 0.0822645 -0.1045674 0.0780626 3.3255937 0.1678257 -0.2046537 -0.0576996 3.2595628 11 In 3.3128765 0.0612892 0.1217866 0.0235149 3.2931594 -0.0400495 0.1255309 0.2573189 3.2072910 12 In 3.3128765 0.0612892 0.1217866 0.0235149 3.2931594 -0.0400495 0.1255309 0.2573189 3.2072910 13 In 2.9917828 -0.0822645 -0.1045674 -0.0780626 3.3255937 -0.1678257 -0.2046537 0.0576996 3.2595628 14 In 3.3128765 -0.0612892 0.1217866 -0.0235149 3.2931594 0.0400495 0.1255309 -0.2573189 3.2072910 15 In 3.6804079 0.0332600 0.0668060 -0.0262026 3.1653368 -0.1708789 0.1216388 0.2285307 3.2670290 16 In 3.1662688 0.0374437 0.0045468 0.0556991 3.3985625 0.0255224 -0.0761582 -0.1694252 3.2498762 17 In 3.6804079 -0.0332600 0.0668060 0.0262026 3.1653368 0.1708789 0.1216388 -0.2285307 3.2670290 18 In 3.1662688 -0.0374437 0.0045468 -0.0556991 3.3985625 -0.0255224 -0.0761582 0.1694252 3.2498762 19 In 3.1662688 0.0374437 0.0045468 0.0556991 3.3985625 0.0255224 -0.0761582 -0.1694252 3.2498762 20 In 3.6804079 0.0332600 0.0668060 -0.0262026 3.1653368 -0.1708789 0.1216388 0.2285307 3.2670290 21 In 3.3128765 -0.0612892 0.1217866 -0.0235149 3.2931594 0.0400495 0.1255309 -0.2573189 3.2072910 22 In 2.9917828 -0.0822645 -0.1045674 -0.0780626 3.3255937 -0.1678257 -0.2046537 0.0576996 3.2595628 23 In 2.9917828 0.0822645 -0.1045674 0.0780626 3.3255937 0.1678257 -0.2046537 -0.0576996 3.2595628 24 In 3.6804079 -0.0332600 0.0668060 0.0262026 3.1653368 0.1708789 0.1216388 -0.2285307 3.2670290 25 O -2.3557225 -0.0204603 -0.4562272 -0.0103760 -2.1817399 -0.0430188 -0.4638433 -0.0505794 -2.6837208 26 O -2.3832295 -0.2726215 0.2438945 -0.2976206 -2.5142372 0.2815880 0.2015965 0.2400819 -2.2211287 27 O -2.2259977 0.0171695 0.5058156 0.0061146 -2.5518331 0.0598579 0.4669700 0.0269582 -2.2578632 28 O -2.2920532 0.1334766 0.2048125 0.2189739 -2.5745185 -0.1957032 0.2385129 -0.2452866 -2.0999750 29 O -2.2240789 -0.1206432 -0.2899255 -0.0984624 -2.0158852 0.0543182 -0.2397950 -0.0195181 -2.6896691 30 O -2.3457921 0.2913291 0.0071921 0.2701393 -2.4165201 -0.2774730 0.0324178 -0.2481430 -2.2441441 31 O -2.3457921 -0.2913291 0.0071921 -0.2701393 -2.4165201 0.2774730 0.0324178 0.2481430 -2.2441441 32 O -2.2240789 -0.1206432 -0.2899255 -0.0984624 -2.0158852 0.0543182 -0.2397950 -0.0195181 -2.6896691 33 O -2.3457921 0.2913291 0.0071921 0.2701393 -2.4165201 -0.2774730 0.0324178 -0.2481430 -2.2441441 34 O -2.1572157 -0.3198106 0.0324759 -0.2058755 -2.2894077 0.2022101 0.1206957 0.2712950 -2.2467565 35 O -2.2259977 -0.0171695 0.5058156 -0.0061146 -2.5518331 -0.0598579 0.4669700 -0.0269582 -2.2578632 36 O -2.2920532 -0.1334766 0.2048125 -0.2189739 -2.5745185 0.1957032 0.2385129 0.2452866 -2.0999750 37 O -2.2240789 0.1206432 -0.2899255 0.0984624 -2.0158852 -0.0543182 -0.2397950 0.0195181 -2.6896691 38 O -2.3457921 -0.2913291 0.0071921 -0.2701393 -2.4165201 0.2774730 0.0324178 0.2481430 -2.2441441 39 O -2.2240789 0.1206432 -0.2899255 0.0984624 -2.0158852 -0.0543182 -0.2397950 0.0195181 -2.6896691 40 O -2.2920532 -0.1334766 0.2048125 -0.2189739 -2.5745185 0.1957032 0.2385129 0.2452866 -2.0999750 41 O -2.2259977 0.0171695 0.5058156 0.0061146 -2.5518331 0.0598579 0.4669700 0.0269582 -2.2578632 42 O -2.1572157 0.3198106 0.0324759 0.2058755 -2.2894077 -0.2022101 0.1206957 -0.2712950 -2.2467565 43 O -2.1572157 -0.3198106 0.0324759 -0.2058755 -2.2894077 0.2022101 0.1206957 0.2712950 -2.2467565 44 O -2.3557225 0.0204603 -0.4562272 0.0103760 -2.1817399 0.0430188 -0.4638433 0.0505794 -2.6837208 45 O -2.3557225 -0.0204603 -0.4562272 -0.0103760 -2.1817399 -0.0430188 -0.4638433 -0.0505794 -2.6837208 46 O -2.3832295 0.2726215 0.2438945 0.2976206 -2.5142372 -0.2815880 0.2015965 -0.2400819 -2.2211287 47 O -2.2259977 -0.0171695 0.5058156 -0.0061146 -2.5518331 -0.0598579 0.4669700 -0.0269582 -2.2578632 48 O -2.3832295 0.2726215 0.2438945 0.2976206 -2.5142372 -0.2815880 0.2015965 -0.2400819 -2.2211287 49 O -2.2920532 0.1334766 0.2048125 0.2189739 -2.5745185 -0.1957032 0.2385129 -0.2452866 -2.0999750 50 O -2.3557225 0.0204603 -0.4562272 0.0103760 -2.1817399 0.0430188 -0.4638433 0.0505794 -2.6837208 51 O -2.0684877 -0.3572384 -0.2572445 -0.3182783 -2.3058450 0.0792686 -0.2653257 0.1421779 -2.2458766 52 O -2.1572157 0.3198106 0.0324759 0.2058755 -2.2894077 -0.2022101 0.1206957 -0.2712950 -2.2467565 53 O -2.3832295 -0.2726215 0.2438945 -0.2976206 -2.5142372 0.2815880 0.2015965 0.2400819 -2.2211287 54 O -2.0684877 0.3572384 -0.2572445 0.3182783 -2.3058450 -0.0792686 -0.2653257 -0.1421779 -2.2458766 55 O -2.0684877 -0.3572384 -0.2572445 -0.3182783 -2.3058450 0.0792686 -0.2653257 0.1421779 -2.2458766 56 O -2.0684877 0.3572384 -0.2572445 0.3182783 -2.3058450 -0.0792686 -0.2653257 -0.1421779 -2.2458766 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 297, Lambda: 0.10 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: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 1.012 ( 0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 6.955 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.096 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.783 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.086 ( 0.000 0.000 0.000) 0.000 8.168 ( 0.000 0.000 0.000) 0.000 8.184 ( 0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.709 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 10.042 ( 0.000 0.000 0.000) 0.000 10.230 ( 0.000 0.000 0.000) 0.000 10.251 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.811 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.737 ( 0.000 0.000 0.000) 0.000 11.881 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 11.936 ( 0.000 0.000 0.000) 0.000 11.938 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 12.599 ( 0.000 0.000 0.000) 0.000 12.723 ( 0.000 0.000 0.000) 0.000 13.284 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.396 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 13.719 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.389 ( 0.000 0.000 0.000) 0.000 14.440 ( 0.000 0.000 0.000) 0.000 14.745 ( 0.000 0.000 0.000) 0.000 14.936 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 0.000) 0.000 15.563 ( 0.000 0.000 0.000) 0.000 15.747 ( 0.000 0.000 0.000) 0.000 15.776 ( 0.000 0.000 0.000) 0.000 15.820 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.837 ( 0.000 0.000 0.000) 0.000 16.895 ( 0.000 0.000 0.000) 0.000 17.032 ( 0.000 0.000 0.000) 0.000 17.196 ( 0.000 0.000 0.000) 0.000 17.559 ( 0.000 0.000 0.000) 0.000 17.734 ( 0.000 0.000 0.000) 0.000 17.739 ( 0.000 0.000 0.000) 0.000 18.667 ( 0.000 0.000 0.000) 0.000 18.808 ( 0.000 0.000 0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 19.266 ( 0.000 0.000 0.000) 0.000 20.631 ( 0.000 0.000 0.000) 0.000 20.703 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/55) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.483 ( 18.627 0.000 16.334) 24.774 0.509 ( 16.701 0.000 26.844) 31.615 0.997 ( 47.717 0.000 4.833) 47.961 1.210 ( 17.044 0.000 -4.888) 17.731 1.357 ( 13.499 0.000 7.369) 15.379 1.473 ( 3.308 0.000 -11.861) 12.314 1.599 ( -1.628 0.000 5.727) 5.953 1.627 ( 7.306 0.000 -0.571) 7.328 1.697 ( -5.172 0.000 -3.438) 6.211 1.763 ( 1.570 0.000 -8.528) 8.671 1.823 ( -3.778 0.000 -3.744) 5.319 1.884 ( 0.806 0.000 -3.059) 3.163 1.920 ( -1.949 0.000 2.370) 3.069 1.948 ( -3.021 0.000 -5.540) 6.310 2.182 ( 8.792 0.000 1.934) 9.003 2.224 ( -8.992 0.000 5.726) 10.660 2.265 ( 2.870 0.000 -2.555) 3.843 2.315 ( 3.010 0.000 6.002) 6.714 2.337 ( 0.903 0.000 -0.349) 0.968 2.427 ( 3.450 0.000 -0.073) 3.451 2.435 ( 6.027 0.000 -7.761) 9.827 2.540 ( 0.081 0.000 4.464) 4.465 2.612 ( -0.723 0.000 -2.668) 2.764 2.649 ( 5.137 0.000 -2.021) 5.520 2.710 ( 4.846 0.000 6.913) 8.442 2.767 ( -2.286 0.000 2.801) 3.615 2.791 ( -3.069 0.000 2.120) 3.730 2.812 ( 1.667 0.000 -5.358) 5.611 2.894 ( -1.412 0.000 -0.786) 1.616 3.092 ( -2.002 0.000 0.906) 2.197 3.131 ( -2.689 0.000 -12.601) 12.885 3.242 ( 0.505 0.000 -5.589) 5.612 3.313 ( -5.770 0.000 -1.646) 6.000 3.365 ( -4.128 0.000 0.520) 4.161 3.381 ( -6.259 0.000 -3.786) 7.315 3.397 ( 0.643 0.000 2.184) 2.277 3.498 ( -8.466 0.000 -3.033) 8.993 3.510 ( -4.496 0.000 -5.047) 6.759 3.649 ( 0.635 0.000 -17.686) 17.697 3.694 ( 2.184 0.000 -0.381) 2.217 3.729 ( -2.487 0.000 2.138) 3.279 3.797 ( 4.446 0.000 0.279) 4.455 3.820 ( 5.450 0.000 6.165) 8.228 3.985 ( 0.484 0.000 -0.094) 0.493 4.159 ( 3.740 0.000 -0.604) 3.789 4.196 ( -0.669 0.000 3.702) 3.762 4.210 ( 2.208 0.000 13.791) 13.967 4.211 ( 4.681 0.000 1.452) 4.901 4.228 ( -0.116 0.000 5.368) 5.369 4.303 ( 0.420 0.000 -2.573) 2.607 4.329 ( -1.205 0.000 -10.708) 10.775 4.567 ( -11.980 0.000 -1.794) 12.114 4.693 ( 4.425 0.000 5.066) 6.727 4.870 ( -4.185 0.000 -6.413) 7.658 4.915 ( -1.935 0.000 -1.266) 2.312 4.990 ( -5.078 0.000 -1.592) 5.322 5.043 ( 2.459 0.000 1.235) 2.751 5.097 ( 1.983 0.000 -0.853) 2.159 5.189 ( 7.159 0.000 5.147) 8.817 5.203 ( -9.341 0.000 -4.245) 10.260 5.236 ( 4.894 0.000 2.853) 5.665 5.277 ( -1.539 0.000 2.316) 2.780 5.329 ( -7.538 0.000 0.359) 7.546 5.453 ( -1.734 0.000 -1.389) 2.222 5.458 ( -6.358 0.000 -1.669) 6.574 5.474 ( -0.659 0.000 -4.121) 4.173 5.624 ( 1.887 0.000 3.378) 3.870 5.664 ( -4.657 0.000 1.232) 4.817 5.754 ( 0.133 0.000 1.103) 1.111 5.778 ( -1.779 0.000 -2.791) 3.309 5.830 ( 2.332 0.000 -2.136) 3.162 5.955 ( 3.104 0.000 1.295) 3.363 5.994 ( 3.606 0.000 -1.360) 3.854 6.094 ( 0.956 0.000 -3.862) 3.979 6.171 ( 9.099 0.000 -5.042) 10.403 6.190 ( 12.577 0.000 0.762) 12.600 6.314 ( 7.227 0.000 0.140) 7.229 6.372 ( 7.541 0.000 3.335) 8.246 6.452 ( -0.115 0.000 3.062) 3.065 6.514 ( 6.585 0.000 2.324) 6.983 6.562 ( 5.214 0.000 -3.923) 6.525 6.691 ( 0.873 0.000 0.776) 1.168 6.802 ( -5.268 0.000 -4.972) 7.244 6.849 ( -6.633 0.000 -1.758) 6.862 6.862 ( -4.952 0.000 0.082) 4.953 6.998 ( 0.936 0.000 -4.547) 4.642 7.022 ( -4.228 0.000 2.272) 4.800 7.143 ( -5.517 0.000 -4.491) 7.114 7.231 ( 1.740 0.000 10.633) 10.774 7.236 ( -2.947 0.000 0.923) 3.088 7.336 ( -3.891 0.000 -3.536) 5.257 7.341 ( -0.455 0.000 1.561) 1.626 7.424 ( 0.258 0.000 4.091) 4.099 7.639 ( 2.972 0.000 1.727) 3.437 7.670 ( 0.755 0.000 -0.271) 0.802 7.795 ( 4.459 0.000 -5.861) 7.364 7.858 ( 4.476 0.000 -1.978) 4.894 7.911 ( -1.197 0.000 -1.174) 1.676 7.940 ( -2.299 0.000 -1.588) 2.794 7.954 ( 0.404 0.000 3.077) 3.103 8.043 ( -7.959 0.000 -4.823) 9.306 8.103 ( -1.577 0.000 2.649) 3.083 8.168 ( 2.288 0.000 -2.796) 3.613 8.253 ( 0.191 0.000 -3.030) 3.036 8.374 ( 14.794 0.000 -33.406) 36.536 8.398 ( -2.589 0.000 -2.840) 3.843 8.468 ( 3.626 0.000 4.919) 6.111 8.696 ( -6.819 0.000 11.020) 12.959 8.720 ( -1.058 0.000 2.633) 2.838 8.826 ( 0.564 0.000 1.944) 2.024 9.058 ( 0.589 0.000 2.016) 2.101 9.073 ( -0.701 0.000 -3.498) 3.567 9.338 ( -1.258 0.000 -3.278) 3.511 9.385 ( -3.188 0.000 4.177) 5.254 9.482 ( -7.632 0.000 30.399) 31.343 9.609 ( 4.216 0.000 -2.764) 5.042 9.681 ( 1.297 0.000 7.688) 7.797 9.683 ( 3.188 0.000 -11.272) 11.714 9.774 ( -2.088 0.000 -0.051) 2.088 10.060 ( 8.432 0.000 4.216) 9.427 10.154 ( -3.465 0.000 -9.678) 10.279 10.225 ( -1.111 0.000 0.365) 1.170 10.323 ( -0.314 0.000 7.779) 7.785 10.615 ( -6.776 0.000 1.366) 6.913 10.842 ( 3.174 0.000 -2.830) 4.252 11.076 ( 8.921 0.000 2.682) 9.316 11.568 ( -6.808 0.000 3.377) 7.600 11.692 ( -7.946 0.000 -1.009) 8.010 11.817 ( -3.674 0.000 -0.540) 3.713 11.866 ( -4.201 0.000 0.363) 4.216 12.000 ( 8.067 0.000 -9.917) 12.784 12.004 ( 8.537 0.000 5.745) 10.290 12.695 ( -2.434 0.000 0.982) 2.625 12.696 ( 8.654 0.000 -4.696) 9.846 13.257 ( 3.852 0.000 -14.636) 15.134 13.317 ( 1.755 0.000 -2.519) 3.070 13.324 ( -1.384 0.000 -8.144) 8.261 13.429 ( -0.834 0.000 5.325) 5.390 13.536 ( -2.717 0.000 0.821) 2.838 13.758 ( 3.612 0.000 -1.014) 3.752 14.237 ( -5.734 0.000 -3.986) 6.984 14.372 ( 4.196 0.000 2.466) 4.867 14.641 ( 10.602 0.000 2.068) 10.802 14.780 ( -0.831 0.000 4.333) 4.412 14.942 ( -0.865 0.000 4.646) 4.726 15.138 ( -2.049 0.000 -6.852) 7.152 15.264 ( -8.544 0.000 -2.566) 8.921 15.338 ( -7.590 0.000 3.527) 8.369 15.588 ( -15.606 0.000 15.309) 21.862 15.743 ( 5.410 0.000 4.401) 6.974 15.847 ( 5.405 0.000 -2.482) 5.948 16.050 ( 0.975 0.000 -1.355) 1.669 16.148 ( -0.819 0.000 7.786) 7.828 16.247 ( 0.791 0.000 2.932) 3.037 16.328 ( -5.719 0.000 23.948) 24.622 16.709 ( -11.367 0.000 -3.093) 11.780 17.023 ( -0.304 0.000 -0.631) 0.700 17.200 ( 1.254 0.000 -2.184) 2.518 17.421 ( -2.299 0.000 6.923) 7.295 17.557 ( 0.472 0.000 -1.752) 1.814 17.747 ( 1.069 0.000 0.163) 1.081 17.757 ( 1.716 0.000 -0.268) 1.736 18.816 ( 0.233 0.000 1.450) 1.469 19.014 ( 7.544 0.000 -14.808) 16.619 19.069 ( -2.311 0.000 -1.025) 2.528 19.251 ( -1.819 0.000 1.003) 2.077 20.690 ( 2.735 0.000 -5.234) 5.905 20.715 ( 0.921 0.000 0.320) 0.975 ======================= Grid point 2 (3/55) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.933 ( 16.616 0.000 14.497) 22.051 1.006 ( 16.057 0.000 23.733) 28.655 1.346 ( -13.114 0.000 -12.032) 17.798 1.424 ( 0.643 0.000 -4.257) 4.305 1.473 ( 8.543 0.000 0.401) 8.553 1.476 ( -11.631 0.000 -21.133) 24.122 1.592 ( -2.192 0.000 1.499) 2.656 1.640 ( 7.226 0.000 1.029) 7.299 1.710 ( 1.059 0.000 -0.955) 1.426 1.844 ( 12.494 0.000 2.167) 12.681 1.913 ( 0.289 0.000 0.798) 0.848 1.939 ( 8.495 0.000 1.527) 8.631 1.958 ( 8.395 0.000 3.025) 8.924 2.082 ( 20.959 0.000 0.892) 20.978 2.120 ( 0.394 0.000 5.220) 5.235 2.271 ( -1.374 0.000 -2.291) 2.671 2.351 ( 4.958 0.000 2.270) 5.453 2.389 ( 1.896 0.000 2.269) 2.957 2.414 ( 4.064 0.000 -0.594) 4.108 2.440 ( 0.395 0.000 -7.910) 7.920 2.466 ( -0.228 0.000 1.531) 1.548 2.560 ( -1.532 0.000 2.358) 2.812 2.573 ( -2.221 0.000 -1.437) 2.645 2.657 ( -6.357 0.000 6.877) 9.365 2.675 ( -10.208 0.000 -6.468) 12.085 2.767 ( 2.873 0.000 -3.792) 4.757 2.790 ( -1.061 0.000 -1.254) 1.642 2.856 ( 3.525 0.000 4.780) 5.940 2.947 ( 5.350 0.000 2.832) 6.054 2.967 ( -2.863 0.000 0.601) 2.926 3.024 ( -2.133 0.000 -1.207) 2.451 3.145 ( -5.039 0.000 -9.829) 11.045 3.155 ( -13.521 0.000 -0.159) 13.522 3.260 ( -2.545 0.000 -3.397) 4.245 3.284 ( -4.533 0.000 0.010) 4.533 3.303 ( -2.936 0.000 2.191) 3.664 3.381 ( -2.960 0.000 -2.531) 3.895 3.411 ( -0.527 0.000 0.294) 0.603 3.536 ( -0.508 0.000 -7.489) 7.506 3.750 ( -0.321 0.000 2.656) 2.676 3.821 ( 9.848 0.000 0.903) 9.889 3.880 ( 3.233 0.000 0.528) 3.276 3.981 ( -0.328 0.000 -1.055) 1.104 4.021 ( 10.748 0.000 -1.183) 10.813 4.101 ( -12.247 0.000 -0.993) 12.287 4.142 ( -5.153 0.000 5.419) 7.478 4.197 ( -4.243 0.000 4.341) 6.070 4.254 ( 0.308 0.000 0.213) 0.374 4.264 ( 1.145 0.000 0.024) 1.145 4.287 ( 1.069 0.000 -3.686) 3.838 4.429 ( 5.449 0.000 2.126) 5.850 4.471 ( 3.431 0.000 4.702) 5.820 4.712 ( -7.545 0.000 -2.032) 7.814 4.771 ( 0.219 0.000 1.176) 1.196 4.875 ( 0.375 0.000 -2.383) 2.413 4.942 ( 0.074 0.000 -1.930) 1.931 4.978 ( -6.592 0.000 -3.288) 7.366 5.096 ( 0.603 0.000 0.034) 0.603 5.127 ( 0.574 0.000 -0.850) 1.026 5.210 ( -5.709 0.000 2.165) 6.106 5.269 ( 2.412 0.000 1.782) 2.999 5.335 ( 1.355 0.000 0.053) 1.356 5.360 ( -1.398 0.000 1.949) 2.399 5.379 ( 3.156 0.000 -3.044) 4.385 5.425 ( 4.104 0.000 2.509) 4.811 5.475 ( -0.375 0.000 1.898) 1.935 5.585 ( -2.512 0.000 0.444) 2.551 5.678 ( 1.798 0.000 4.387) 4.741 5.691 ( -4.190 0.000 -4.296) 6.001 5.735 ( -0.870 0.000 -2.644) 2.784 5.888 ( 2.428 0.000 -0.320) 2.449 5.978 ( -0.163 0.000 -0.257) 0.304 6.011 ( -0.567 0.000 -1.174) 1.304 6.108 ( 1.407 0.000 -0.960) 1.703 6.273 ( 3.257 0.000 -2.199) 3.930 6.407 ( 7.713 0.000 0.533) 7.731 6.442 ( 3.613 0.000 0.704) 3.681 6.527 ( 6.134 0.000 0.846) 6.192 6.533 ( 7.371 0.000 0.737) 7.408 6.612 ( 2.546 0.000 -2.921) 3.875 6.647 ( 2.854 0.000 -1.024) 3.032 6.683 ( -6.465 0.000 3.344) 7.278 6.725 ( -2.445 0.000 -1.583) 2.913 6.746 ( 0.148 0.000 0.799) 0.813 6.765 ( -4.129 0.000 1.819) 4.512 6.887 ( -8.242 0.000 0.360) 8.250 6.974 ( -6.671 0.000 0.356) 6.680 7.084 ( 12.515 0.000 -3.238) 12.927 7.232 ( -2.129 0.000 0.873) 2.301 7.237 ( 1.384 0.000 -1.408) 1.975 7.260 ( -2.378 0.000 -0.058) 2.379 7.335 ( -6.161 0.000 4.830) 7.829 7.498 ( 2.869 0.000 4.524) 5.357 7.669 ( -3.511 0.000 3.472) 4.938 7.706 ( 2.105 0.000 1.656) 2.678 7.779 ( -1.019 0.000 -5.874) 5.961 7.789 ( -3.093 0.000 -8.989) 9.506 7.873 ( -1.070 0.000 -1.020) 1.478 7.901 ( -1.291 0.000 1.315) 1.843 7.979 ( 1.664 0.000 -0.663) 1.791 7.980 ( -0.579 0.000 2.917) 2.974 8.100 ( 3.238 0.000 -4.220) 5.319 8.176 ( -2.303 0.000 2.128) 3.135 8.248 ( 1.238 0.000 -1.753) 2.146 8.357 ( -0.502 0.000 -0.536) 0.735 8.472 ( 12.554 0.000 -15.534) 19.973 8.550 ( 1.583 0.000 2.403) 2.877 8.614 ( -9.673 0.000 10.975) 14.630 8.719 ( -0.722 0.000 1.862) 1.997 8.839 ( -0.574 0.000 2.654) 2.715 9.035 ( -0.606 0.000 -2.788) 2.853 9.096 ( 1.062 0.000 2.853) 3.044 9.283 ( -1.224 0.000 -3.434) 3.646 9.332 ( -2.947 0.000 2.836) 4.090 9.583 ( 0.973 0.000 9.652) 9.701 9.657 ( 1.991 0.000 -1.466) 2.472 9.660 ( 1.306 0.000 -5.973) 6.114 9.755 ( -0.224 0.000 -1.643) 1.658 9.791 ( 3.082 0.000 8.739) 9.267 10.003 ( -4.422 0.000 -8.602) 9.672 10.209 ( -0.337 0.000 -0.636) 0.720 10.218 ( 4.808 0.000 1.108) 4.934 10.364 ( -0.009 0.000 3.822) 3.822 10.520 ( -3.199 0.000 0.678) 3.270 10.866 ( 1.049 0.000 -1.811) 2.093 11.258 ( 6.937 0.000 1.189) 7.038 11.468 ( -4.965 0.000 2.774) 5.687 11.493 ( -6.762 0.000 -1.291) 6.884 11.765 ( -3.815 0.000 -2.060) 4.336 11.821 ( 1.056 0.000 0.177) 1.071 12.079 ( 3.880 0.000 -3.562) 5.266 12.224 ( 7.132 0.000 5.323) 8.900 12.656 ( -1.839 0.000 1.309) 2.257 12.776 ( 2.446 0.000 -4.497) 5.119 13.242 ( 1.487 0.000 -4.645) 4.878 13.258 ( 0.025 0.000 -4.491) 4.491 13.327 ( -0.017 0.000 0.566) 0.567 13.431 ( -2.150 0.000 3.488) 4.098 13.496 ( -0.913 0.000 -0.211) 0.937 13.809 ( 1.653 0.000 -0.457) 1.715 14.139 ( -2.198 0.000 -1.547) 2.688 14.494 ( 5.095 0.000 2.399) 5.632 14.791 ( -0.232 0.000 0.417) 0.477 14.818 ( 7.226 0.000 -0.782) 7.268 14.936 ( -3.559 0.000 1.551) 3.883 14.975 ( -6.779 0.000 -2.127) 7.105 15.211 ( 5.816 0.000 -12.073) 13.401 15.279 ( -1.356 0.000 5.653) 5.814 15.388 ( -14.109 0.000 16.331) 21.582 15.843 ( 2.619 0.000 0.027) 2.619 15.865 ( -0.566 0.000 -2.875) 2.930 16.150 ( 7.924 0.000 3.150) 8.527 16.179 ( 0.726 0.000 1.091) 1.310 16.266 ( 0.081 0.000 0.049) 0.095 16.367 ( -1.184 0.000 5.637) 5.760 16.430 ( -12.514 0.000 -3.954) 13.124 17.017 ( 0.099 0.000 -0.605) 0.613 17.210 ( 0.874 0.000 -1.162) 1.454 17.425 ( -0.565 0.000 1.910) 1.992 17.555 ( 0.213 0.000 -0.834) 0.861 17.766 ( 0.624 0.000 0.094) 0.631 17.785 ( 0.953 0.000 -0.154) 0.965 18.831 ( 0.223 0.000 0.911) 0.938 19.019 ( -1.550 0.000 -0.762) 1.727 19.058 ( 3.220 0.000 -4.041) 5.167 19.220 ( -1.673 0.000 0.998) 1.948 20.705 ( 0.921 0.000 -1.137) 1.463 20.733 ( 0.484 0.000 0.193) 0.521 ======================= Grid point 5 (4/55) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.402 ( 0.000 20.193 0.000) 20.193 0.505 ( 0.000 25.642 0.000) 25.642 1.038 ( 0.000 50.732 0.000) 50.732 1.089 ( 0.000 7.813 0.000) 7.813 1.183 ( 0.000 0.889 0.000) 0.889 1.482 ( 0.000 1.221 0.000) 1.221 1.523 ( 0.000 3.299 0.000) 3.299 1.568 ( 0.000 6.465 0.000) 6.465 1.716 ( 0.000 -4.367 0.000) 4.367 1.823 ( 0.000 10.689 0.000) 10.689 1.827 ( 0.000 2.455 0.000) 2.455 1.961 ( 0.000 -0.577 0.000) 0.577 1.969 ( 0.000 1.126 0.000) 1.126 2.125 ( 0.000 6.247 0.000) 6.247 2.158 ( 0.000 -3.092 0.000) 3.092 2.187 ( 0.000 8.860 0.000) 8.860 2.310 ( 0.000 2.893 0.000) 2.893 2.319 ( 0.000 0.890 0.000) 0.890 2.347 ( 0.000 -0.935 0.000) 0.935 2.369 ( 0.000 4.327 0.000) 4.327 2.405 ( 0.000 0.209 0.000) 0.209 2.472 ( 0.000 1.204 0.000) 1.204 2.548 ( 0.000 2.828 0.000) 2.828 2.579 ( 0.000 -0.124 0.000) 0.124 2.636 ( 0.000 1.283 0.000) 1.283 2.669 ( 0.000 4.253 0.000) 4.253 2.789 ( 0.000 -2.628 0.000) 2.628 2.795 ( 0.000 -5.791 0.000) 5.791 2.879 ( 0.000 -2.386 0.000) 2.386 2.943 ( 0.000 -2.521 0.000) 2.521 2.993 ( 0.000 -4.733 0.000) 4.733 3.222 ( 0.000 -5.398 0.000) 5.398 3.256 ( 0.000 -10.990 0.000) 10.990 3.260 ( 0.000 -8.812 0.000) 8.812 3.388 ( 0.000 -6.835 0.000) 6.835 3.489 ( 0.000 -3.775 0.000) 3.775 3.539 ( 0.000 -3.145 0.000) 3.145 3.566 ( 0.000 -2.344 0.000) 2.344 3.576 ( 0.000 -1.882 0.000) 1.882 3.672 ( 0.000 -6.321 0.000) 6.321 3.740 ( 0.000 2.323 0.000) 2.323 3.808 ( 0.000 3.062 0.000) 3.062 3.881 ( 0.000 -5.052 0.000) 5.052 3.941 ( 0.000 -1.394 0.000) 1.394 4.042 ( 0.000 -3.834 0.000) 3.834 4.114 ( 0.000 5.221 0.000) 5.221 4.153 ( 0.000 4.123 0.000) 4.123 4.176 ( 0.000 -0.310 0.000) 0.310 4.251 ( 0.000 -0.984 0.000) 0.984 4.262 ( 0.000 0.080 0.000) 0.080 4.523 ( 0.000 -2.928 0.000) 2.928 4.525 ( 0.000 2.615 0.000) 2.615 4.721 ( 0.000 0.218 0.000) 0.218 4.827 ( 0.000 -3.438 0.000) 3.438 4.902 ( 0.000 -3.326 0.000) 3.326 5.058 ( 0.000 -4.074 0.000) 4.074 5.063 ( 0.000 -0.761 0.000) 0.761 5.133 ( 0.000 8.346 0.000) 8.346 5.159 ( 0.000 2.472 0.000) 2.472 5.202 ( 0.000 -1.520 0.000) 1.520 5.264 ( 0.000 4.822 0.000) 4.822 5.280 ( 0.000 -1.709 0.000) 1.709 5.462 ( 0.000 2.959 0.000) 2.959 5.470 ( 0.000 -2.460 0.000) 2.460 5.522 ( 0.000 -0.030 0.000) 0.030 5.557 ( 0.000 -0.615 0.000) 0.615 5.584 ( 0.000 -0.755 0.000) 0.755 5.626 ( 0.000 4.722 0.000) 4.722 5.765 ( 0.000 4.241 0.000) 4.241 5.862 ( 0.000 2.125 0.000) 2.125 5.887 ( 0.000 1.267 0.000) 1.267 5.909 ( 0.000 0.087 0.000) 0.087 5.965 ( 0.000 1.581 0.000) 1.581 6.021 ( 0.000 -1.830 0.000) 1.830 6.048 ( 0.000 5.472 0.000) 5.472 6.107 ( 0.000 -0.483 0.000) 0.483 6.212 ( 0.000 -3.871 0.000) 3.871 6.221 ( 0.000 3.178 0.000) 3.178 6.480 ( 0.000 2.423 0.000) 2.423 6.510 ( 0.000 -0.607 0.000) 0.607 6.605 ( 0.000 8.493 0.000) 8.493 6.640 ( 0.000 -6.184 0.000) 6.184 6.866 ( 0.000 -3.857 0.000) 3.857 6.896 ( 0.000 -1.199 0.000) 1.199 6.988 ( 0.000 1.980 0.000) 1.980 7.056 ( 0.000 7.851 0.000) 7.851 7.061 ( 0.000 4.622 0.000) 4.622 7.144 ( 0.000 5.969 0.000) 5.969 7.238 ( 0.000 4.569 0.000) 4.569 7.353 ( 0.000 -1.624 0.000) 1.624 7.370 ( 0.000 1.475 0.000) 1.475 7.453 ( 0.000 5.436 0.000) 5.436 7.458 ( 0.000 3.929 0.000) 3.929 7.591 ( 0.000 -0.748 0.000) 0.748 7.688 ( 0.000 1.729 0.000) 1.729 7.714 ( 0.000 -5.090 0.000) 5.090 7.796 ( 0.000 1.798 0.000) 1.798 7.900 ( 0.000 1.614 0.000) 1.614 7.975 ( 0.000 -1.086 0.000) 1.086 7.998 ( 0.000 3.360 0.000) 3.360 8.045 ( 0.000 0.115 0.000) 0.115 8.075 ( 0.000 9.158 0.000) 9.158 8.258 ( 0.000 3.563 0.000) 3.563 8.302 ( 0.000 4.332 0.000) 4.332 8.399 ( 0.000 1.217 0.000) 1.217 8.483 ( 0.000 6.061 0.000) 6.061 8.626 ( 0.000 -6.951 0.000) 6.951 8.680 ( 0.000 0.263 0.000) 0.263 8.756 ( 0.000 0.828 0.000) 0.828 8.894 ( 0.000 4.075 0.000) 4.075 8.958 ( 0.000 8.286 0.000) 8.286 9.269 ( 0.000 17.200 0.000) 17.200 9.275 ( 0.000 -6.314 0.000) 6.314 9.397 ( 0.000 -1.963 0.000) 1.963 9.547 ( 0.000 -1.028 0.000) 1.028 9.696 ( 0.000 2.945 0.000) 2.945 9.711 ( 0.000 2.616 0.000) 2.616 9.793 ( 0.000 -0.879 0.000) 0.879 9.905 ( 0.000 3.984 0.000) 3.984 10.126 ( 0.000 8.768 0.000) 8.768 10.221 ( 0.000 -4.171 0.000) 4.171 10.227 ( 0.000 -2.983 0.000) 2.983 10.408 ( 0.000 13.621 0.000) 13.621 10.517 ( 0.000 1.558 0.000) 1.558 10.957 ( 0.000 4.234 0.000) 4.234 11.037 ( 0.000 7.316 0.000) 7.316 11.527 ( 0.000 2.321 0.000) 2.321 11.821 ( 0.000 -4.467 0.000) 4.467 11.874 ( 0.000 -1.455 0.000) 1.455 11.885 ( 0.000 -4.273 0.000) 4.273 11.974 ( 0.000 0.518 0.000) 0.518 11.983 ( 0.000 2.302 0.000) 2.302 12.396 ( 0.000 -0.598 0.000) 0.598 12.674 ( 0.000 -4.784 0.000) 4.784 12.855 ( 0.000 -4.987 0.000) 4.987 13.224 ( 0.000 -6.824 0.000) 6.824 13.407 ( 0.000 2.329 0.000) 2.329 13.427 ( 0.000 3.435 0.000) 3.435 13.589 ( 0.000 2.665 0.000) 2.665 13.695 ( 0.000 -2.520 0.000) 2.520 14.378 ( 0.000 4.524 0.000) 4.524 14.456 ( 0.000 1.516 0.000) 1.516 14.672 ( 0.000 -6.550 0.000) 6.550 14.862 ( 0.000 -4.064 0.000) 4.064 14.999 ( 0.000 -0.789 0.000) 0.789 15.289 ( 0.000 7.698 0.000) 7.698 15.331 ( 0.000 -1.868 0.000) 1.868 15.441 ( 0.000 0.930 0.000) 0.930 15.638 ( 0.000 6.232 0.000) 6.232 15.690 ( 0.000 -0.306 0.000) 0.306 15.844 ( 0.000 2.356 0.000) 2.356 15.994 ( 0.000 12.592 0.000) 12.592 16.082 ( 0.000 1.592 0.000) 1.592 16.269 ( 0.000 3.182 0.000) 3.182 16.296 ( 0.000 3.255 0.000) 3.255 16.843 ( 0.000 -3.457 0.000) 3.457 16.919 ( 0.000 8.378 0.000) 8.378 17.098 ( 0.000 -18.475 0.000) 18.475 17.133 ( 0.000 8.868 0.000) 8.868 17.234 ( 0.000 -5.337 0.000) 5.337 18.157 ( 0.000 23.685 0.000) 23.685 18.615 ( 0.000 -5.492 0.000) 5.492 18.739 ( 0.000 -7.168 0.000) 7.168 18.756 ( 0.000 -0.362 0.000) 0.362 19.112 ( 0.000 -1.639 0.000) 1.639 19.279 ( 0.000 1.773 0.000) 1.773 20.594 ( 0.000 -3.838 0.000) 3.838 20.655 ( 0.000 -4.943 0.000) 4.943 ======================= Grid point 6 (5/55) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 9.945 18.878 6.983) 22.451 0.872 ( 28.261 12.773 0.604) 31.019 1.232 ( 12.838 2.481 -3.874) 13.637 1.280 ( 16.880 17.139 7.953) 25.337 1.389 ( 16.905 17.664 10.283) 26.524 1.531 ( 4.773 4.429 -7.342) 9.813 1.651 ( 10.220 2.094 -0.730) 10.458 1.685 ( 1.189 3.904 -2.831) 4.967 1.713 ( -6.361 5.797 2.515) 8.966 1.730 ( 8.383 -1.999 -0.781) 8.653 1.877 ( -1.280 4.788 -3.810) 6.251 1.928 ( 1.926 3.400 -2.595) 4.691 1.968 ( -0.537 4.875 5.878) 7.655 2.021 ( -5.881 6.069 -6.802) 10.849 2.203 ( 2.122 1.671 -0.359) 2.725 2.218 ( -2.271 -1.632 2.280) 3.608 2.287 ( -1.506 2.648 2.647) 4.035 2.323 ( 0.797 2.150 -1.179) 2.579 2.346 ( 3.138 1.314 4.883) 5.951 2.396 ( 3.903 -1.301 -3.129) 5.169 2.460 ( 4.450 1.278 -4.363) 6.361 2.533 ( -1.069 -1.219 -0.240) 1.639 2.568 ( 2.233 -0.744 -0.294) 2.372 2.643 ( 4.586 -4.059 0.505) 6.145 2.707 ( 4.029 2.906 -3.066) 5.838 2.740 ( 2.529 -0.959 2.714) 3.831 2.763 ( 0.056 -1.943 -0.440) 1.993 2.816 ( 0.639 -4.640 4.120) 6.238 2.835 ( -2.117 -0.880 0.029) 2.293 2.961 ( 2.126 -4.473 4.743) 6.858 3.055 ( -1.256 -5.736 0.389) 5.885 3.181 ( -0.992 -6.142 -6.969) 9.343 3.221 ( -3.321 -6.691 0.537) 7.489 3.259 ( -1.198 -8.773 -2.045) 9.088 3.356 ( -1.049 -7.065 -6.562) 9.699 3.405 ( -4.058 -0.924 -1.247) 4.344 3.441 ( -3.284 -3.604 -4.349) 6.534 3.535 ( -2.668 0.745 1.342) 3.078 3.609 ( -5.426 -0.713 -7.013) 8.896 3.672 ( -2.601 -3.853 -0.298) 4.658 3.712 ( 1.168 -1.210 -2.426) 2.952 3.809 ( 3.065 0.570 -0.216) 3.125 3.876 ( 2.740 1.803 4.019) 5.187 3.952 ( 3.166 -6.498 -1.394) 7.361 4.074 ( 3.261 -6.228 -0.502) 7.048 4.129 ( 3.505 -1.082 -3.321) 4.948 4.186 ( -1.957 -3.040 3.452) 4.999 4.204 ( 0.594 0.748 4.061) 4.172 4.277 ( 2.462 -0.591 -0.283) 2.548 4.291 ( -8.405 3.217 4.864) 10.230 4.374 ( -1.012 2.910 0.738) 3.168 4.572 ( -7.826 1.135 -0.835) 7.952 4.645 ( 0.684 -2.773 1.091) 3.057 4.828 ( -3.267 -6.668 0.066) 7.426 4.917 ( 1.075 0.535 -1.031) 1.582 4.959 ( -3.350 -3.121 -0.395) 4.596 5.113 ( 1.482 3.071 1.287) 3.645 5.151 ( -0.729 4.890 -2.005) 5.335 5.176 ( 0.626 0.285 -0.945) 1.169 5.217 ( -0.499 0.069 1.115) 1.224 5.228 ( -1.617 -1.712 0.186) 2.362 5.257 ( -2.637 1.976 0.262) 3.305 5.349 ( -1.516 2.899 3.047) 4.470 5.454 ( -1.121 2.265 -0.304) 2.545 5.495 ( 2.358 3.401 0.852) 4.225 5.548 ( -4.320 4.597 -2.424) 6.757 5.631 ( 1.677 -0.034 2.735) 3.209 5.659 ( -5.043 -0.044 -0.494) 5.067 5.712 ( 4.747 -0.823 -1.663) 5.097 5.832 ( -2.587 -0.305 -2.228) 3.428 5.888 ( -0.804 7.190 -3.003) 7.833 5.957 ( 3.302 2.790 1.314) 4.519 6.009 ( 0.458 -0.141 1.891) 1.951 6.089 ( 2.101 0.390 -3.257) 3.895 6.132 ( 9.819 -2.716 -0.177) 10.189 6.162 ( 11.016 -2.323 -0.314) 11.263 6.288 ( 5.571 -0.465 -0.074) 5.591 6.365 ( 8.346 -0.187 1.754) 8.530 6.439 ( -0.516 -0.960 0.928) 1.431 6.568 ( 4.305 0.899 -2.815) 5.222 6.601 ( 1.034 -0.812 1.119) 1.726 6.690 ( 4.032 2.410 3.532) 5.877 6.792 ( -2.615 -0.354 -7.487) 7.939 6.849 ( -4.931 0.331 1.562) 5.183 6.931 ( -6.023 5.544 -0.214) 8.188 7.031 ( -2.632 2.327 -3.253) 4.788 7.097 ( -3.877 5.925 2.956) 7.673 7.141 ( -0.767 1.882 3.742) 4.258 7.193 ( -3.163 5.503 -2.946) 6.998 7.284 ( -3.653 -0.802 -0.528) 3.777 7.327 ( -5.836 1.701 2.013) 6.404 7.395 ( -1.662 -0.322 6.771) 6.980 7.480 ( 0.270 3.917 2.277) 4.539 7.557 ( 1.366 -2.833 -1.802) 3.625 7.725 ( 3.626 3.534 -1.370) 5.245 7.803 ( 3.192 6.708 0.024) 7.428 7.850 ( -3.612 -3.555 2.660) 5.723 7.931 ( 6.014 1.583 -1.834) 6.483 7.977 ( 1.129 1.529 -4.250) 4.655 8.017 ( 2.900 -0.413 -2.543) 3.879 8.033 ( 0.684 1.012 1.125) 1.661 8.054 ( -1.902 7.457 0.926) 7.751 8.257 ( 0.695 3.348 -2.140) 4.034 8.301 ( 2.732 4.334 -6.080) 7.951 8.423 ( 0.371 2.507 0.019) 2.534 8.487 ( 3.494 6.938 -5.686) 9.627 8.606 ( -0.584 5.314 -2.037) 5.721 8.675 ( -3.088 0.933 6.173) 6.965 8.717 ( -1.956 -1.143 0.789) 2.399 8.891 ( 0.331 4.308 1.288) 4.509 8.974 ( -2.606 1.756 3.816) 4.943 9.136 ( -2.981 4.164 -7.988) 9.489 9.297 ( 1.150 -2.868 -4.456) 5.422 9.437 ( -3.941 5.661 6.597) 9.544 9.557 ( 1.956 0.729 -0.663) 2.190 9.622 ( -1.006 3.279 2.804) 4.430 9.735 ( 0.854 5.360 -0.785) 5.484 9.780 ( -1.649 4.448 4.123) 6.285 9.867 ( -1.146 8.368 -1.005) 8.506 10.092 ( 1.782 4.111 -3.013) 5.399 10.148 ( -3.902 -2.615 0.422) 4.716 10.263 ( 3.220 4.211 -1.966) 5.654 10.394 ( -1.181 9.553 5.980) 11.332 10.654 ( 3.305 2.490 -0.117) 4.139 10.877 ( -2.878 4.554 -0.335) 5.398 11.129 ( 7.533 4.423 1.170) 8.814 11.494 ( -5.421 -3.107 2.998) 6.930 11.733 ( -10.861 -0.921 -1.737) 11.037 11.811 ( 0.046 0.578 -1.323) 1.445 11.851 ( -4.360 -1.244 0.326) 4.546 11.991 ( 5.420 -0.461 3.552) 6.496 12.038 ( 6.335 1.585 -5.150) 8.317 12.606 ( 6.722 -6.138 -0.190) 9.104 12.679 ( 3.009 -3.106 0.852) 4.407 13.008 ( 10.882 -14.477 -3.193) 18.390 13.187 ( -1.909 -8.804 -4.337) 9.998 13.391 ( -0.246 3.648 -0.866) 3.758 13.452 ( -0.112 2.409 3.424) 4.188 13.565 ( -1.967 2.706 0.258) 3.356 13.704 ( 1.360 -2.864 -0.092) 3.172 14.346 ( -7.304 4.598 -4.657) 9.807 14.434 ( 3.921 4.865 2.511) 6.734 14.697 ( 2.787 -6.323 -0.373) 6.920 14.737 ( -2.898 2.247 -8.975) 9.695 14.966 ( 0.247 2.913 3.548) 4.597 15.226 ( 1.538 3.996 -7.551) 8.681 15.272 ( -11.344 1.997 -0.598) 11.534 15.346 ( -9.181 1.863 15.165) 17.825 15.618 ( -9.878 4.604 8.305) 13.702 15.740 ( 5.687 2.230 -0.066) 6.109 15.864 ( 7.754 1.393 -3.656) 8.685 16.035 ( 0.070 0.190 -2.890) 2.898 16.192 ( 3.215 4.556 3.781) 6.737 16.273 ( 0.093 2.546 2.223) 3.381 16.371 ( -0.825 3.801 12.330) 12.929 16.796 ( -9.270 7.472 -1.073) 11.955 16.923 ( 3.310 -12.707 1.045) 13.173 17.102 ( -0.207 -0.406 -0.890) 1.000 17.165 ( 4.828 -8.651 -1.419) 10.008 17.267 ( 2.464 -5.700 -1.072) 6.302 18.155 ( 0.401 23.567 -1.355) 23.610 18.303 ( -14.960 21.447 3.887) 26.437 18.748 ( 0.779 -7.078 0.673) 7.153 18.886 ( 6.821 -10.087 -6.192) 13.661 19.058 ( -3.666 -1.492 -1.455) 4.217 19.248 ( -2.004 0.749 0.286) 2.159 20.628 ( 2.579 -5.284 -1.839) 6.160 20.667 ( 0.918 -5.039 0.144) 5.124 ======================= Grid point 7 (6/55) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 13.996 7.253 12.564) 20.158 1.261 ( -7.431 1.752 -9.742) 12.377 1.325 ( 15.908 13.439 4.218) 21.248 1.494 ( 8.458 4.413 1.859) 9.719 1.547 ( -3.118 9.647 0.162) 10.140 1.663 ( 5.337 4.214 -2.499) 7.245 1.677 ( -1.804 6.265 0.262) 6.525 1.695 ( -7.991 10.515 -6.791) 14.851 1.750 ( 0.805 4.193 -0.820) 4.348 1.873 ( 5.553 4.091 -2.167) 7.230 1.916 ( 5.874 0.468 3.763) 6.991 1.978 ( 1.757 2.424 -0.157) 2.998 2.032 ( 1.309 9.078 0.932) 9.220 2.098 ( 13.374 2.120 6.197) 14.891 2.167 ( 13.423 6.389 3.078) 15.181 2.257 ( 0.750 -3.718 -0.031) 3.793 2.298 ( -0.388 0.332 -1.199) 1.303 2.370 ( 2.878 -3.193 -0.893) 4.391 2.444 ( 1.542 1.835 2.649) 3.573 2.456 ( 4.272 -0.192 -1.894) 4.677 2.469 ( -0.179 -1.348 0.256) 1.383 2.500 ( -1.198 -2.045 -3.346) 4.100 2.570 ( -5.185 -1.802 -1.470) 5.682 2.630 ( -0.022 2.132 0.376) 2.165 2.668 ( -6.508 0.015 -0.220) 6.512 2.794 ( -0.990 1.567 2.275) 2.935 2.806 ( 3.300 1.364 -3.377) 4.914 2.866 ( 3.132 -0.569 3.056) 4.413 2.900 ( 2.764 -2.966 9.930) 10.726 2.955 ( -4.005 -4.779 -1.648) 6.450 3.006 ( 2.317 1.248 -0.666) 2.715 3.075 ( -5.771 -3.713 -7.389) 10.084 3.158 ( -5.446 -4.110 -0.222) 6.827 3.198 ( -5.372 -5.634 0.339) 7.792 3.219 ( -1.602 -3.380 -5.213) 6.416 3.325 ( -4.652 -1.341 -3.115) 5.757 3.365 ( -3.067 -1.063 0.690) 3.318 3.428 ( -2.949 3.355 -0.905) 4.558 3.519 ( -0.810 -2.312 -6.054) 6.531 3.604 ( 1.838 -9.298 0.427) 9.488 3.826 ( 7.690 -2.215 1.768) 8.195 3.900 ( 3.048 -5.379 -1.221) 6.302 3.920 ( -0.672 1.549 2.504) 3.020 4.042 ( -9.206 -3.760 -1.955) 10.134 4.056 ( 4.359 -2.538 -1.318) 5.213 4.134 ( -1.428 -2.244 1.192) 2.914 4.143 ( 1.805 -8.306 -1.988) 8.729 4.181 ( -2.068 -6.152 3.656) 7.449 4.241 ( 2.540 0.880 0.473) 2.730 4.258 ( -2.648 -2.956 -1.653) 4.299 4.373 ( -4.456 1.870 6.194) 7.856 4.531 ( 5.081 2.753 4.450) 7.294 4.690 ( -6.808 -4.655 -3.385) 8.915 4.724 ( 5.547 -0.149 0.344) 5.560 4.866 ( -6.343 -1.316 -2.606) 6.982 4.919 ( -2.911 0.976 -1.592) 3.458 5.020 ( -4.293 -4.272 -2.269) 6.467 5.132 ( 0.408 4.434 1.573) 4.722 5.152 ( 2.390 -1.770 1.526) 3.343 5.210 ( 1.435 9.515 -0.941) 9.669 5.300 ( -1.138 0.912 -1.129) 1.844 5.342 ( 3.401 3.291 2.222) 5.228 5.383 ( 3.689 0.370 4.269) 5.654 5.430 ( -0.251 1.931 0.857) 2.128 5.481 ( 0.840 1.527 1.228) 2.132 5.521 ( -3.422 5.909 -4.128) 7.979 5.591 ( -1.396 3.160 -0.542) 3.497 5.685 ( 3.319 0.923 3.386) 4.830 5.727 ( -1.626 2.814 -0.818) 3.352 5.810 ( -0.868 5.047 0.055) 5.121 5.856 ( 1.114 -0.614 -4.034) 4.230 5.997 ( 1.084 0.868 0.642) 1.530 6.020 ( -0.516 0.810 0.201) 0.981 6.086 ( -0.303 -1.977 -1.254) 2.361 6.226 ( 1.267 -2.904 -1.918) 3.704 6.364 ( 7.748 -5.187 0.741) 9.353 6.392 ( 1.571 -4.413 -1.244) 4.846 6.487 ( 9.749 1.915 1.538) 10.053 6.548 ( 5.856 -3.000 0.244) 6.584 6.612 ( -0.318 -3.758 0.122) 3.774 6.646 ( 1.242 -1.498 -0.467) 2.001 6.710 ( -4.146 0.852 -1.507) 4.493 6.722 ( -6.795 3.055 3.131) 8.082 6.795 ( 1.384 5.060 1.985) 5.609 6.822 ( -1.790 6.244 -1.556) 6.679 6.967 ( -4.973 3.749 -1.358) 6.374 7.016 ( -6.051 4.633 0.737) 7.656 7.042 ( 5.356 -0.217 -1.497) 5.566 7.200 ( -2.574 -2.952 -0.224) 3.923 7.244 ( -2.651 0.321 0.420) 2.704 7.272 ( 4.259 3.677 -1.538) 5.833 7.378 ( -4.972 3.622 4.533) 7.642 7.532 ( 1.770 0.168 4.663) 4.990 7.589 ( 1.141 -6.006 -3.244) 6.921 7.695 ( -5.420 5.872 0.404) 8.001 7.812 ( 1.408 5.236 2.560) 5.996 7.865 ( 0.832 5.249 2.776) 5.996 7.914 ( -1.578 4.671 -6.694) 8.314 7.983 ( 1.536 4.349 -2.927) 5.463 8.009 ( -0.952 3.245 0.517) 3.421 8.061 ( 2.374 2.311 -1.650) 3.701 8.109 ( 0.031 3.207 2.234) 3.909 8.280 ( 4.582 5.142 -1.544) 7.058 8.320 ( 2.031 5.178 -2.269) 6.007 8.398 ( -2.869 4.963 -1.367) 5.893 8.545 ( 7.949 6.229 -9.459) 13.837 8.611 ( -0.364 7.402 3.162) 8.057 8.636 ( -5.811 4.297 7.800) 10.634 8.716 ( 0.304 -3.906 1.107) 4.071 8.877 ( -3.111 5.174 0.826) 6.094 8.948 ( 0.374 -7.284 1.886) 7.533 9.072 ( -1.045 1.756 -1.767) 2.701 9.288 ( 0.258 0.229 -2.502) 2.526 9.380 ( -2.234 4.727 1.474) 5.432 9.584 ( 1.284 -2.259 -4.015) 4.782 9.663 ( 0.006 7.615 5.743) 9.538 9.731 ( -0.110 3.671 -1.725) 4.058 9.830 ( 2.557 2.472 8.380) 9.103 9.872 ( 1.281 8.774 -0.624) 8.889 9.983 ( -4.740 0.480 -8.739) 9.953 10.165 ( 0.639 -2.800 0.954) 3.027 10.338 ( 4.479 9.881 -0.987) 10.894 10.425 ( 0.050 7.093 3.655) 7.979 10.630 ( -2.988 9.411 0.726) 9.900 10.873 ( 1.030 0.624 -1.139) 1.658 11.293 ( 7.332 2.730 0.266) 7.828 11.420 ( -2.708 -3.214 2.484) 4.882 11.508 ( -8.809 -0.200 -1.007) 8.868 11.744 ( -4.335 -2.243 -2.073) 5.303 11.828 ( 0.990 0.832 -0.111) 1.298 12.099 ( 3.846 1.584 -2.816) 5.023 12.174 ( 5.016 -4.539 5.032) 8.431 12.628 ( -0.223 -2.756 1.856) 3.330 12.745 ( 1.510 -2.835 -4.592) 5.604 13.127 ( 1.713 -9.855 -0.873) 10.041 13.139 ( 1.866 -9.475 -2.651) 10.014 13.380 ( -0.445 3.079 -0.481) 3.148 13.454 ( -1.438 2.277 2.288) 3.534 13.540 ( -0.362 3.954 -0.430) 3.993 13.736 ( 1.227 -5.281 0.117) 5.423 14.211 ( -2.962 5.554 -2.297) 6.701 14.524 ( 1.078 0.597 2.754) 3.018 14.723 ( 6.626 -4.925 -3.258) 8.875 14.751 ( 3.044 -3.328 -1.326) 4.701 14.921 ( -9.214 0.252 0.731) 9.246 15.056 ( -5.850 5.044 1.246) 7.825 15.258 ( 3.423 -3.351 -4.969) 6.902 15.361 ( 2.830 11.147 5.999) 12.971 15.473 ( -9.742 10.372 8.227) 16.437 15.791 ( 0.526 -2.337 -2.669) 3.586 15.956 ( 2.562 6.391 -2.203) 7.230 16.070 ( 4.703 -5.120 0.895) 7.010 16.214 ( -2.622 2.071 2.535) 4.194 16.280 ( -0.100 1.163 -1.315) 1.759 16.378 ( -2.325 5.483 2.839) 6.598 16.648 ( -4.098 16.523 0.149) 17.025 16.934 ( -0.615 -10.354 -0.316) 10.377 17.125 ( 1.279 -12.086 0.423) 12.161 17.220 ( 1.643 0.231 -1.034) 1.955 17.299 ( 1.170 -10.611 -0.217) 10.677 18.150 ( -0.877 23.494 -0.030) 23.510 18.169 ( -1.943 22.805 0.436) 22.892 18.770 ( 0.720 -6.418 0.422) 6.472 18.947 ( 2.647 -9.917 -1.844) 10.428 18.985 ( -2.508 -3.595 -0.775) 4.452 19.218 ( -1.151 0.359 0.375) 1.262 20.653 ( 0.930 -5.064 -0.598) 5.183 20.683 ( 0.484 -5.136 0.085) 5.160 ======================= Grid point 10 (7/55) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.743 ( 0.000 15.028 0.000) 15.028 0.949 ( 0.000 20.111 0.000) 20.111 1.191 ( 0.000 0.606 0.000) 0.606 1.287 ( 0.000 12.532 0.000) 12.532 1.492 ( 0.000 1.687 0.000) 1.687 1.566 ( 0.000 0.515 0.000) 0.515 1.630 ( 0.000 6.905 0.000) 6.905 1.643 ( 0.000 -3.036 0.000) 3.036 1.850 ( 0.000 14.047 0.000) 14.047 1.938 ( 0.000 -0.083 0.000) 0.083 1.965 ( 0.000 -2.132 0.000) 2.132 2.013 ( 0.000 22.051 0.000) 22.051 2.067 ( 0.000 6.055 0.000) 6.055 2.097 ( 0.000 2.747 0.000) 2.747 2.196 ( 0.000 1.574 0.000) 1.574 2.300 ( 0.000 -2.568 0.000) 2.568 2.304 ( 0.000 -0.567 0.000) 0.567 2.374 ( 0.000 6.738 0.000) 6.738 2.398 ( 0.000 6.608 0.000) 6.608 2.430 ( 0.000 2.908 0.000) 2.908 2.495 ( 0.000 1.694 0.000) 1.694 2.517 ( 0.000 9.841 0.000) 9.841 2.589 ( 0.000 -2.397 0.000) 2.397 2.614 ( 0.000 -3.436 0.000) 3.436 2.631 ( 0.000 -3.864 0.000) 3.864 2.675 ( 0.000 2.854 0.000) 2.854 2.682 ( 0.000 -3.006 0.000) 3.006 2.768 ( 0.000 4.105 0.000) 4.105 2.843 ( 0.000 -1.905 0.000) 1.905 2.944 ( 0.000 2.502 0.000) 2.502 2.947 ( 0.000 2.888 0.000) 2.888 3.010 ( 0.000 -10.932 0.000) 10.932 3.093 ( 0.000 -7.450 0.000) 7.450 3.152 ( 0.000 -3.957 0.000) 3.957 3.236 ( 0.000 -7.408 0.000) 7.408 3.341 ( 0.000 -9.531 0.000) 9.531 3.455 ( 0.000 -7.972 0.000) 7.972 3.507 ( 0.000 -0.266 0.000) 0.266 3.535 ( 0.000 -1.422 0.000) 1.422 3.575 ( 0.000 -4.434 0.000) 4.434 3.700 ( 0.000 -9.475 0.000) 9.475 3.739 ( 0.000 -8.379 0.000) 8.379 3.761 ( 0.000 -2.403 0.000) 2.403 3.923 ( 0.000 -0.277 0.000) 0.277 4.028 ( 0.000 -4.309 0.000) 4.309 4.119 ( 0.000 -5.213 0.000) 5.213 4.177 ( 0.000 3.305 0.000) 3.305 4.262 ( 0.000 6.000 0.000) 6.000 4.271 ( 0.000 4.476 0.000) 4.476 4.375 ( 0.000 8.844 0.000) 8.844 4.517 ( 0.000 0.376 0.000) 0.376 4.532 ( 0.000 -1.187 0.000) 1.187 4.719 ( 0.000 1.221 0.000) 1.221 4.736 ( 0.000 -4.505 0.000) 4.505 4.834 ( 0.000 -3.187 0.000) 3.187 4.970 ( 0.000 -4.127 0.000) 4.127 4.983 ( 0.000 -7.910 0.000) 7.910 5.165 ( 0.000 2.936 0.000) 2.936 5.220 ( 0.000 1.926 0.000) 1.926 5.241 ( 0.000 -1.867 0.000) 1.867 5.297 ( 0.000 -0.223 0.000) 0.223 5.377 ( 0.000 11.780 0.000) 11.780 5.445 ( 0.000 1.134 0.000) 1.134 5.453 ( 0.000 -4.152 0.000) 4.152 5.504 ( 0.000 -1.980 0.000) 1.980 5.612 ( 0.000 1.051 0.000) 1.051 5.618 ( 0.000 6.527 0.000) 6.527 5.702 ( 0.000 -0.750 0.000) 0.750 5.860 ( 0.000 7.076 0.000) 7.076 5.861 ( 0.000 -2.377 0.000) 2.377 5.914 ( 0.000 2.313 0.000) 2.313 5.954 ( 0.000 7.443 0.000) 7.443 5.997 ( 0.000 -1.353 0.000) 1.353 6.030 ( 0.000 3.966 0.000) 3.966 6.130 ( 0.000 1.810 0.000) 1.810 6.141 ( 0.000 1.872 0.000) 1.872 6.220 ( 0.000 7.072 0.000) 7.072 6.278 ( 0.000 1.074 0.000) 1.074 6.436 ( 0.000 -11.676 0.000) 11.676 6.494 ( 0.000 -0.636 0.000) 0.636 6.537 ( 0.000 4.400 0.000) 4.400 6.770 ( 0.000 9.065 0.000) 9.065 6.803 ( 0.000 -2.565 0.000) 2.565 6.926 ( 0.000 2.601 0.000) 2.601 7.009 ( 0.000 0.077 0.000) 0.077 7.142 ( 0.000 3.308 0.000) 3.308 7.178 ( 0.000 -1.683 0.000) 1.683 7.260 ( 0.000 5.308 0.000) 5.308 7.301 ( 0.000 7.655 0.000) 7.655 7.361 ( 0.000 0.294 0.000) 0.294 7.438 ( 0.000 5.184 0.000) 5.184 7.482 ( 0.000 -0.673 0.000) 0.673 7.525 ( 0.000 1.087 0.000) 1.087 7.615 ( 0.000 -4.158 0.000) 4.158 7.657 ( 0.000 5.541 0.000) 5.541 7.732 ( 0.000 3.440 0.000) 3.440 7.867 ( 0.000 8.428 0.000) 8.428 7.889 ( 0.000 -3.506 0.000) 3.506 8.043 ( 0.000 2.409 0.000) 2.409 8.090 ( 0.000 2.475 0.000) 2.475 8.109 ( 0.000 11.324 0.000) 11.324 8.256 ( 0.000 7.590 0.000) 7.590 8.270 ( 0.000 -3.912 0.000) 3.912 8.333 ( 0.000 5.161 0.000) 5.161 8.409 ( 0.000 -1.625 0.000) 1.625 8.553 ( 0.000 -2.669 0.000) 2.669 8.561 ( 0.000 4.375 0.000) 4.375 8.695 ( 0.000 -0.452 0.000) 0.452 8.820 ( 0.000 6.581 0.000) 6.581 9.058 ( 0.000 2.226 0.000) 2.226 9.074 ( 0.000 14.857 0.000) 14.857 9.163 ( 0.000 -4.385 0.000) 4.385 9.363 ( 0.000 -1.378 0.000) 1.378 9.550 ( 0.000 1.548 0.000) 1.548 9.651 ( 0.000 18.427 0.000) 18.427 9.677 ( 0.000 -1.147 0.000) 1.147 9.778 ( 0.000 5.317 0.000) 5.317 9.884 ( 0.000 4.206 0.000) 4.206 10.007 ( 0.000 4.873 0.000) 4.873 10.130 ( 0.000 -1.662 0.000) 1.662 10.163 ( 0.000 -0.471 0.000) 0.471 10.346 ( 0.000 11.809 0.000) 11.809 10.601 ( 0.000 6.685 0.000) 6.685 10.675 ( 0.000 13.282 0.000) 13.282 11.045 ( 0.000 4.562 0.000) 4.562 11.158 ( 0.000 4.183 0.000) 4.183 11.599 ( 0.000 5.081 0.000) 5.081 11.741 ( 0.000 -3.512 0.000) 3.512 11.792 ( 0.000 -4.979 0.000) 4.979 11.838 ( 0.000 -1.958 0.000) 1.958 11.988 ( 0.000 0.679 0.000) 0.679 12.015 ( 0.000 1.137 0.000) 1.137 12.386 ( 0.000 -0.211 0.000) 0.211 12.566 ( 0.000 -5.835 0.000) 5.835 12.724 ( 0.000 -8.446 0.000) 8.446 13.050 ( 0.000 -10.631 0.000) 10.631 13.491 ( 0.000 6.003 0.000) 6.003 13.506 ( 0.000 4.356 0.000) 4.356 13.639 ( 0.000 -2.574 0.000) 2.574 13.656 ( 0.000 4.260 0.000) 4.260 14.425 ( 0.000 -0.419 0.000) 0.419 14.458 ( 0.000 -3.880 0.000) 3.880 14.580 ( 0.000 0.269 0.000) 0.269 14.836 ( 0.000 0.424 0.000) 0.424 15.012 ( 0.000 2.990 0.000) 2.990 15.277 ( 0.000 -3.790 0.000) 3.790 15.385 ( 0.000 1.701 0.000) 1.701 15.443 ( 0.000 -0.826 0.000) 0.826 15.690 ( 0.000 3.483 0.000) 3.483 15.834 ( 0.000 9.134 0.000) 9.134 15.894 ( 0.000 2.332 0.000) 2.332 16.107 ( 0.000 0.680 0.000) 0.680 16.232 ( 0.000 10.444 0.000) 10.444 16.345 ( 0.000 4.568 0.000) 4.568 16.420 ( 0.000 10.314 0.000) 10.314 16.783 ( 0.000 -2.664 0.000) 2.664 16.789 ( 0.000 -7.912 0.000) 7.912 17.153 ( 0.000 15.745 0.000) 15.745 17.210 ( 0.000 0.126 0.000) 0.126 17.342 ( 0.000 12.843 0.000) 12.843 18.459 ( 0.000 -10.859 0.000) 10.859 18.481 ( 0.000 7.329 0.000) 7.329 18.543 ( 0.000 -13.226 0.000) 13.226 18.719 ( 0.000 -4.082 0.000) 4.082 19.134 ( 0.000 6.759 0.000) 6.759 19.360 ( 0.000 7.277 0.000) 7.277 20.486 ( 0.000 -7.513 0.000) 7.513 20.521 ( 0.000 -9.034 0.000) 9.034 ======================= Grid point 11 (8/55) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 11.169 10.866 -1.750) 15.681 1.080 ( 17.291 13.475 -0.445) 21.926 1.304 ( 4.946 5.820 -3.507) 8.405 1.327 ( 10.688 0.221 1.891) 10.856 1.570 ( 7.139 -0.279 0.026) 7.145 1.653 ( 3.655 -1.689 1.427) 4.272 1.725 ( 12.209 6.295 -1.749) 13.847 1.756 ( 6.636 1.911 1.158) 7.002 1.835 ( -1.823 5.353 -4.908) 7.488 1.958 ( -0.886 4.012 1.875) 4.516 1.973 ( 2.300 1.483 -1.564) 3.152 2.007 ( -1.231 7.836 5.512) 9.659 2.044 ( 0.176 6.593 1.163) 6.697 2.156 ( 3.141 11.633 4.401) 12.828 2.201 ( 0.948 2.755 1.551) 3.301 2.274 ( -0.694 -2.735 -1.426) 3.161 2.280 ( -1.354 5.389 -1.286) 5.704 2.360 ( -1.652 4.519 1.543) 5.052 2.410 ( 1.946 2.512 -0.755) 3.266 2.456 ( -2.423 5.513 0.940) 6.095 2.481 ( 4.970 3.334 -3.028) 6.707 2.548 ( 0.726 -0.948 -6.237) 6.350 2.573 ( 0.903 3.041 -1.069) 3.347 2.631 ( 1.695 -4.530 1.369) 5.027 2.659 ( 2.620 -0.887 -1.994) 3.410 2.674 ( -0.384 -2.814 6.822) 7.390 2.765 ( 4.866 -0.535 1.158) 5.030 2.800 ( 1.791 5.431 3.855) 6.896 2.853 ( -1.423 0.051 3.176) 3.481 2.953 ( 1.368 4.456 4.906) 6.767 2.964 ( -1.154 -2.653 1.888) 3.455 3.034 ( 2.988 -8.095 -5.421) 10.190 3.066 ( -1.827 -7.250 -0.862) 7.526 3.129 ( 0.219 -2.831 -6.012) 6.649 3.230 ( 0.844 -6.778 -1.548) 7.003 3.344 ( -1.729 -5.039 1.919) 5.663 3.362 ( -4.834 -3.553 -3.243) 6.819 3.465 ( -1.516 -5.971 -1.760) 6.407 3.565 ( 0.641 -5.819 0.780) 5.906 3.600 ( -3.352 -4.034 -0.422) 5.262 3.676 ( 0.295 0.251 -0.020) 0.388 3.784 ( 3.201 -7.682 -3.526) 9.039 3.838 ( 1.043 0.149 -1.588) 1.905 3.849 ( 1.823 -5.675 4.355) 7.382 3.981 ( 0.627 -2.218 -4.104) 4.707 4.091 ( -3.360 -4.911 1.678) 6.183 4.134 ( -2.422 -1.177 -2.932) 3.981 4.231 ( -3.885 1.153 -1.119) 4.204 4.276 ( 0.587 4.313 -6.392) 7.734 4.383 ( -8.189 3.167 -0.531) 8.797 4.462 ( -4.008 4.766 8.468) 10.511 4.572 ( -0.290 -5.910 -0.960) 5.995 4.595 ( -4.544 -2.808 4.135) 6.755 4.714 ( 4.287 1.958 -3.941) 6.144 4.865 ( 1.752 -3.060 0.467) 3.557 4.975 ( -3.005 1.405 -0.743) 3.400 5.057 ( -0.794 -3.005 6.816) 7.491 5.122 ( -3.598 -4.441 4.410) 7.219 5.201 ( -2.730 -1.322 -4.169) 5.156 5.237 ( 1.976 3.195 -3.357) 5.038 5.275 ( 0.142 1.875 -0.756) 2.027 5.337 ( -0.772 -0.129 0.069) 0.786 5.434 ( 3.491 9.392 0.806) 10.052 5.532 ( 3.995 1.220 4.708) 6.293 5.549 ( 2.385 -1.574 -0.358) 2.880 5.593 ( -1.269 8.146 3.002) 8.773 5.638 ( -6.453 1.492 -1.014) 6.700 5.663 ( 1.199 -1.247 2.105) 2.724 5.759 ( -0.922 1.251 -3.539) 3.865 5.814 ( -3.109 2.756 -4.337) 6.006 5.969 ( 5.065 -1.383 -2.203) 5.694 5.984 ( -1.126 -0.123 -1.647) 1.999 6.036 ( 0.796 -1.193 -1.832) 2.327 6.076 ( 1.408 4.157 3.225) 5.447 6.148 ( 1.935 2.559 0.790) 3.304 6.175 ( 8.757 3.883 1.753) 9.738 6.296 ( 3.953 1.900 -0.467) 4.411 6.393 ( 5.482 -0.656 2.715) 6.153 6.422 ( 0.241 -0.713 -2.446) 2.559 6.452 ( 0.200 -5.686 0.481) 5.710 6.578 ( 1.878 0.681 -0.634) 2.096 6.781 ( 1.185 -0.605 -3.997) 4.213 6.804 ( 2.308 7.597 2.439) 8.306 6.893 ( -3.280 2.881 0.139) 4.368 6.962 ( -3.504 -0.847 -2.070) 4.157 7.122 ( -4.222 4.722 0.542) 6.357 7.183 ( -6.806 -3.063 0.897) 7.517 7.223 ( -3.392 4.361 3.405) 6.490 7.242 ( -5.157 0.951 1.889) 5.573 7.311 ( -3.126 5.728 3.643) 7.473 7.353 ( -2.480 2.583 -1.429) 3.855 7.430 ( 0.282 7.112 0.364) 7.127 7.543 ( -0.430 2.283 -3.748) 4.409 7.606 ( 0.307 4.641 -1.768) 4.976 7.757 ( 3.793 -4.720 1.191) 6.172 7.843 ( 8.601 7.625 3.381) 11.981 7.868 ( 4.028 -2.768 3.545) 6.038 7.967 ( 3.045 1.836 -3.582) 5.047 8.032 ( -3.673 6.736 2.566) 8.090 8.057 ( -0.898 2.189 -0.691) 2.465 8.113 ( 4.202 7.244 -4.431) 9.474 8.213 ( -3.033 7.829 3.016) 8.921 8.273 ( -0.085 -0.018 -2.873) 2.874 8.378 ( 4.127 4.288 -3.540) 6.925 8.418 ( 2.379 -3.749 -3.603) 5.719 8.584 ( 1.078 6.188 5.366) 8.261 8.602 ( 2.083 -3.898 0.794) 4.490 8.729 ( 2.050 3.370 3.153) 5.051 8.803 ( -1.667 6.530 2.510) 7.191 9.008 ( -3.527 9.029 -3.380) 10.266 9.082 ( -2.807 6.958 5.618) 9.373 9.164 ( 1.106 -1.315 -7.264) 7.464 9.245 ( -2.974 -0.741 -8.130) 8.689 9.550 ( -0.907 5.548 1.529) 5.826 9.604 ( -0.438 3.284 -2.593) 4.207 9.779 ( 2.271 6.861 6.188) 9.514 9.809 ( 2.007 7.323 0.804) 7.636 9.857 ( -2.222 3.489 -0.423) 4.158 10.026 ( 1.335 4.442 0.692) 4.689 10.097 ( -1.175 1.079 0.475) 1.664 10.156 ( -0.390 5.709 -4.222) 7.111 10.407 ( 5.519 8.891 1.079) 10.520 10.610 ( -1.335 11.339 3.936) 12.077 10.732 ( 5.915 6.636 -0.917) 8.937 10.989 ( -5.152 5.928 0.177) 7.857 11.194 ( 4.728 1.584 -1.588) 5.233 11.478 ( -8.272 1.191 0.456) 8.370 11.673 ( -8.378 -4.176 -1.017) 9.416 11.800 ( -0.791 -1.844 1.664) 2.607 11.842 ( -2.199 0.021 -1.846) 2.871 11.972 ( 2.771 -1.540 1.837) 3.664 12.060 ( 4.945 1.478 -1.754) 5.452 12.503 ( 4.148 -4.517 3.279) 6.954 12.610 ( 6.126 -3.584 1.494) 7.253 12.792 ( 6.560 -9.743 -0.860) 11.777 12.998 ( -3.337 -10.513 -3.548) 11.587 13.477 ( -1.290 5.357 0.672) 5.551 13.515 ( -0.111 3.798 0.833) 3.890 13.622 ( -0.607 2.038 0.720) 2.245 13.671 ( 0.788 1.003 -1.158) 1.723 14.413 ( -4.822 2.719 -2.284) 5.989 14.471 ( 0.557 -2.378 6.762) 7.189 14.550 ( 3.896 -6.319 -7.321) 10.426 14.794 ( -3.250 3.921 -8.032) 9.511 15.012 ( 0.145 1.657 4.182) 4.501 15.184 ( -7.095 -3.830 -2.121) 8.337 15.317 ( -6.986 1.985 0.008) 7.262 15.457 ( 0.216 4.482 12.227) 13.025 15.708 ( -1.844 3.852 1.590) 4.557 15.835 ( -0.863 5.302 -5.012) 7.347 15.917 ( 7.002 4.686 -2.606) 8.820 16.068 ( 0.096 2.261 -4.173) 4.747 16.302 ( 1.412 6.907 4.304) 8.259 16.337 ( -1.318 4.428 1.226) 4.780 16.448 ( 0.821 2.671 -0.264) 2.806 16.709 ( -1.273 -1.492 9.123) 9.331 16.962 ( 9.410 -0.151 -4.901) 10.611 17.115 ( -3.398 11.815 1.170) 12.349 17.155 ( -3.911 3.753 -2.237) 5.864 17.331 ( -1.013 9.077 -0.437) 9.143 18.458 ( -0.486 0.240 -0.102) 0.552 18.465 ( -0.864 -0.644 0.091) 1.081 18.563 ( 1.736 -10.628 -0.149) 10.770 18.706 ( -0.838 -7.672 -0.165) 7.719 19.092 ( -3.730 8.404 -0.132) 9.196 19.321 ( -3.039 7.665 0.221) 8.248 20.503 ( 1.449 -7.991 -0.249) 8.125 20.531 ( 0.840 -9.102 -0.012) 9.140 ======================= Grid point 12 (9/55) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 7.251 7.278 1.977) 10.463 1.275 ( -1.379 4.812 -4.288) 6.591 1.486 ( 16.553 0.445 0.359) 16.563 1.591 ( 12.737 3.675 1.415) 13.332 1.688 ( 2.652 -0.605 -2.015) 3.385 1.706 ( -1.906 0.332 1.516) 2.458 1.739 ( -2.297 6.366 0.508) 6.787 1.808 ( -5.234 0.935 -0.552) 5.346 1.868 ( 1.833 5.304 -1.885) 5.920 1.926 ( 0.846 3.506 -1.820) 4.040 2.013 ( 1.252 2.008 -0.106) 2.369 2.026 ( 1.435 5.988 4.169) 7.436 2.084 ( -0.015 0.214 -0.345) 0.406 2.177 ( 0.295 -2.581 -3.631) 4.464 2.259 ( 5.074 8.242 0.892) 9.720 2.288 ( 1.088 -3.939 0.169) 4.090 2.330 ( -0.223 0.761 0.883) 1.187 2.358 ( 2.362 4.467 3.937) 6.406 2.420 ( -0.457 1.709 0.802) 1.942 2.463 ( -3.724 2.373 -3.177) 5.440 2.499 ( 3.228 5.292 3.827) 7.285 2.555 ( 2.941 3.885 -7.253) 8.738 2.597 ( 1.252 4.011 1.268) 4.389 2.672 ( 1.308 -6.538 1.607) 6.859 2.692 ( 0.373 2.707 0.956) 2.895 2.748 ( 6.487 3.474 5.211) 9.017 2.837 ( 0.931 0.683 -0.831) 1.423 2.850 ( 1.658 0.541 -0.288) 1.768 2.890 ( 2.950 3.412 5.168) 6.860 2.934 ( -3.432 0.846 7.991) 8.738 2.997 ( 0.444 -4.295 -5.992) 7.386 3.015 ( 1.288 -1.893 -1.825) 2.928 3.060 ( -0.194 -0.419 2.521) 2.563 3.100 ( -2.710 -3.586 -1.482) 4.732 3.179 ( -3.004 -1.688 -7.163) 7.949 3.247 ( -4.327 -5.217 -1.759) 7.002 3.351 ( 1.480 -0.756 -0.440) 1.720 3.430 ( -1.425 -4.504 0.988) 4.826 3.452 ( -5.442 -4.512 0.261) 7.074 3.524 ( -3.694 3.544 -6.262) 8.088 3.721 ( 5.679 -7.065 4.578) 10.155 3.825 ( 2.852 -6.297 -4.394) 8.191 3.909 ( 5.499 -2.381 2.534) 6.506 3.930 ( 0.603 -1.416 -0.509) 1.621 4.011 ( -4.081 -8.622 2.677) 9.908 4.027 ( -6.227 -2.573 -7.836) 10.334 4.075 ( 4.061 -0.034 4.100) 5.771 4.101 ( -3.808 -0.629 -0.448) 3.885 4.182 ( -2.583 -0.240 -0.903) 2.746 4.205 ( -7.845 -1.039 -2.403) 8.270 4.425 ( -1.397 -10.635 4.007) 11.450 4.576 ( -3.495 6.102 2.943) 7.624 4.621 ( 5.206 -0.069 0.016) 5.206 4.786 ( 4.673 5.828 -5.197) 9.100 4.847 ( -5.569 -0.816 1.878) 5.933 4.885 ( -4.057 -3.522 -1.355) 5.541 5.001 ( -4.910 1.883 -2.909) 6.010 5.096 ( 6.512 -4.199 2.669) 8.196 5.210 ( 0.120 3.491 1.758) 3.910 5.273 ( 3.564 -5.040 2.801) 6.778 5.314 ( -5.531 -0.424 -0.457) 5.566 5.386 ( 1.628 1.467 2.752) 3.518 5.436 ( 3.098 6.105 -0.038) 6.846 5.490 ( -1.290 7.349 -0.349) 7.470 5.548 ( -1.444 3.841 1.210) 4.277 5.611 ( -2.758 1.676 -3.741) 4.941 5.682 ( 1.105 1.204 -0.261) 1.655 5.703 ( 4.825 -0.216 1.948) 5.208 5.746 ( -0.970 -1.920 1.101) 2.416 5.794 ( 4.917 4.151 -2.461) 6.889 5.941 ( 0.181 0.702 0.765) 1.054 6.002 ( -2.305 -0.699 -0.697) 2.507 6.044 ( -0.910 -0.121 -2.186) 2.370 6.060 ( -0.154 3.674 0.080) 3.678 6.209 ( 0.260 -0.027 -0.205) 0.332 6.239 ( -0.264 -5.433 0.899) 5.514 6.336 ( 0.572 -2.390 -1.749) 3.016 6.481 ( 4.520 -2.106 2.508) 5.581 6.496 ( 6.242 -0.853 0.758) 6.345 6.555 ( 5.646 -1.864 0.207) 5.949 6.602 ( 2.857 -0.597 -1.768) 3.412 6.745 ( -7.531 2.976 2.893) 8.599 6.795 ( -3.684 2.817 -0.403) 4.655 6.827 ( -3.012 -3.458 -1.318) 4.772 6.942 ( 0.625 6.117 -1.767) 6.398 6.982 ( -1.362 3.817 -1.830) 4.447 7.085 ( -1.711 -2.182 0.465) 2.812 7.124 ( -4.338 4.870 1.015) 6.601 7.227 ( -1.580 7.417 1.571) 7.745 7.295 ( -1.565 6.652 0.213) 6.837 7.347 ( 2.206 3.166 0.446) 3.884 7.456 ( -0.279 4.593 2.685) 5.327 7.536 ( 1.202 2.972 -2.064) 3.813 7.597 ( -0.388 4.120 -1.232) 4.317 7.798 ( 0.560 0.385 2.859) 2.939 7.892 ( -1.581 0.646 -1.284) 2.137 7.935 ( -1.738 2.825 -0.314) 3.331 8.024 ( 3.445 5.610 1.872) 6.844 8.029 ( 2.254 4.130 -1.548) 4.953 8.075 ( 2.851 1.394 0.892) 3.296 8.140 ( -1.135 9.903 1.881) 10.144 8.207 ( -1.776 4.677 -3.636) 6.185 8.298 ( 5.692 -0.711 5.055) 7.646 8.407 ( 0.595 0.582 -2.784) 2.906 8.446 ( 4.397 0.544 -5.338) 6.937 8.565 ( -4.491 -4.706 -3.011) 7.168 8.656 ( 1.725 3.845 3.755) 5.644 8.773 ( 0.153 10.829 2.196) 11.051 8.848 ( -0.440 11.650 7.101) 13.651 8.919 ( 0.001 2.445 -3.885) 4.591 9.040 ( -2.688 11.153 -2.326) 11.706 9.074 ( -1.981 -1.718 0.386) 2.651 9.247 ( 2.530 -4.368 -3.234) 5.995 9.554 ( 0.462 13.418 0.441) 13.433 9.573 ( -1.247 -0.008 -3.071) 3.314 9.775 ( -1.637 2.373 -0.027) 2.883 9.826 ( -0.662 -1.276 1.065) 1.789 9.856 ( -0.206 9.802 1.795) 9.967 10.069 ( 1.698 2.389 0.446) 2.965 10.075 ( -0.159 11.556 1.844) 11.703 10.139 ( -0.002 6.347 -3.381) 7.191 10.531 ( 5.745 8.686 0.132) 10.415 10.625 ( -0.306 13.268 3.533) 13.734 10.807 ( 1.168 7.364 -1.376) 7.582 10.893 ( -3.128 2.266 0.191) 3.867 11.310 ( 6.496 -1.714 -1.460) 6.876 11.380 ( -1.961 -0.560 2.458) 3.194 11.479 ( -7.961 -2.502 -1.399) 8.462 11.689 ( -5.772 -3.086 -1.950) 6.829 11.849 ( 0.767 0.849 -0.295) 1.181 12.072 ( 3.511 -4.530 2.461) 6.237 12.130 ( 1.810 0.606 0.354) 1.941 12.567 ( 2.471 -3.258 2.872) 4.997 12.684 ( -0.257 -3.351 -4.458) 5.582 12.927 ( 0.537 -10.654 -0.019) 10.667 12.940 ( 4.573 -10.446 0.746) 11.428 13.452 ( -1.173 4.828 -0.420) 4.986 13.510 ( -0.700 3.336 0.890) 3.523 13.630 ( 0.689 4.916 0.100) 4.965 13.666 ( -0.364 -0.938 -0.616) 1.179 14.310 ( -2.650 4.447 -1.711) 5.452 14.461 ( -2.584 -5.123 0.088) 5.738 14.652 ( 4.819 -3.830 -0.093) 6.157 14.713 ( 2.663 -2.156 -2.547) 4.270 14.944 ( -9.175 1.959 -1.899) 9.572 15.090 ( -0.726 -1.908 3.198) 3.794 15.248 ( -1.303 3.817 0.209) 4.039 15.574 ( 4.816 8.629 5.837) 11.477 15.659 ( -3.716 6.587 5.973) 9.637 15.770 ( -2.554 1.373 -8.711) 9.181 15.985 ( 1.885 -2.585 -1.263) 3.439 16.104 ( 3.579 7.696 -0.307) 8.493 16.267 ( -3.207 2.742 -1.092) 4.359 16.319 ( -0.938 3.647 0.316) 3.779 16.522 ( 4.430 7.977 2.415) 9.439 16.745 ( -2.599 -2.765 4.770) 6.095 16.995 ( 0.683 16.961 -3.925) 17.423 17.060 ( -3.233 3.847 -1.092) 5.142 17.154 ( 3.803 -2.714 1.192) 4.822 17.299 ( -1.664 6.121 -0.528) 6.365 18.437 ( -0.462 1.503 -0.788) 1.759 18.464 ( -0.208 7.038 0.945) 7.105 18.592 ( 1.133 -11.893 -0.361) 11.953 18.696 ( -0.121 -14.982 -0.097) 14.982 19.023 ( -2.376 11.502 -0.017) 11.745 19.278 ( -1.284 7.328 0.169) 7.441 20.525 ( 0.732 -8.337 -0.097) 8.370 20.545 ( 0.476 -9.164 -0.016) 9.176 ======================= Grid point 15 (10/55) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.954 ( 0.000 7.317 0.000) 7.317 1.186 ( 0.000 -1.542 0.000) 1.542 1.227 ( 0.000 9.263 0.000) 9.263 1.519 ( 0.000 -4.043 0.000) 4.043 1.557 ( 0.000 14.951 0.000) 14.951 1.567 ( 0.000 5.550 0.000) 5.550 1.612 ( 0.000 -0.116 0.000) 0.116 1.781 ( 0.000 8.941 0.000) 8.941 1.884 ( 0.000 -1.606 0.000) 1.606 1.887 ( 0.000 -4.464 0.000) 4.464 1.991 ( 0.000 1.049 0.000) 1.049 2.020 ( 0.000 -1.137 0.000) 1.137 2.143 ( 0.000 -5.741 0.000) 5.741 2.211 ( 0.000 -1.621 0.000) 1.621 2.256 ( 0.000 4.769 0.000) 4.769 2.287 ( 0.000 2.113 0.000) 2.113 2.322 ( 0.000 -1.754 0.000) 1.754 2.434 ( 0.000 -2.725 0.000) 2.725 2.446 ( 0.000 -1.986 0.000) 1.986 2.501 ( 0.000 -4.100 0.000) 4.100 2.503 ( 0.000 3.390 0.000) 3.390 2.519 ( 0.000 -0.123 0.000) 0.123 2.558 ( 0.000 2.526 0.000) 2.526 2.586 ( 0.000 -2.810 0.000) 2.810 2.631 ( 0.000 6.010 0.000) 6.010 2.672 ( 0.000 -0.767 0.000) 0.767 2.768 ( 0.000 4.701 0.000) 4.701 2.809 ( 0.000 -0.097 0.000) 0.097 2.837 ( 0.000 0.539 0.000) 0.539 2.927 ( 0.000 1.883 0.000) 1.883 2.957 ( 0.000 -2.279 0.000) 2.279 3.021 ( 0.000 -7.318 0.000) 7.318 3.067 ( 0.000 5.024 0.000) 5.024 3.098 ( 0.000 -1.070 0.000) 1.070 3.152 ( 0.000 0.235 0.000) 0.235 3.326 ( 0.000 7.062 0.000) 7.062 3.375 ( 0.000 3.817 0.000) 3.817 3.453 ( 0.000 -7.950 0.000) 7.950 3.496 ( 0.000 -6.554 0.000) 6.554 3.549 ( 0.000 2.709 0.000) 2.709 3.595 ( 0.000 4.554 0.000) 4.554 3.632 ( 0.000 0.562 0.000) 0.562 3.667 ( 0.000 -3.903 0.000) 3.903 3.884 ( 0.000 -7.837 0.000) 7.837 3.888 ( 0.000 -5.779 0.000) 5.779 4.031 ( 0.000 -0.632 0.000) 0.632 4.250 ( 0.000 -0.417 0.000) 0.417 4.274 ( 0.000 -2.646 0.000) 2.646 4.307 ( 0.000 -2.959 0.000) 2.959 4.452 ( 0.000 -0.961 0.000) 0.961 4.520 ( 0.000 0.663 0.000) 0.663 4.579 ( 0.000 6.488 0.000) 6.488 4.744 ( 0.000 6.396 0.000) 6.396 4.745 ( 0.000 0.257 0.000) 0.257 4.822 ( 0.000 -1.911 0.000) 1.911 4.904 ( 0.000 -3.116 0.000) 3.116 4.936 ( 0.000 10.782 0.000) 10.782 5.155 ( 0.000 -6.007 0.000) 6.007 5.256 ( 0.000 -0.053 0.000) 0.053 5.258 ( 0.000 2.000 0.000) 2.000 5.277 ( 0.000 0.059 0.000) 0.059 5.350 ( 0.000 -4.786 0.000) 4.786 5.416 ( 0.000 -3.248 0.000) 3.248 5.480 ( 0.000 -0.705 0.000) 0.705 5.529 ( 0.000 -6.306 0.000) 6.306 5.603 ( 0.000 5.974 0.000) 5.974 5.679 ( 0.000 1.317 0.000) 1.317 5.681 ( 0.000 -1.376 0.000) 1.376 5.854 ( 0.000 -4.571 0.000) 4.571 5.878 ( 0.000 -5.403 0.000) 5.403 5.957 ( 0.000 0.798 0.000) 0.798 6.024 ( 0.000 -5.041 0.000) 5.041 6.031 ( 0.000 7.135 0.000) 7.135 6.117 ( 0.000 2.765 0.000) 2.765 6.156 ( 0.000 11.855 0.000) 11.855 6.200 ( 0.000 3.210 0.000) 3.210 6.251 ( 0.000 1.139 0.000) 1.139 6.344 ( 0.000 5.285 0.000) 5.285 6.391 ( 0.000 2.288 0.000) 2.288 6.506 ( 0.000 1.166 0.000) 1.166 6.688 ( 0.000 11.016 0.000) 11.016 6.775 ( 0.000 0.019 0.000) 0.019 6.939 ( 0.000 5.822 0.000) 5.822 6.946 ( 0.000 -0.666 0.000) 0.666 6.998 ( 0.000 0.527 0.000) 0.527 7.104 ( 0.000 -1.168 0.000) 1.168 7.190 ( 0.000 2.234 0.000) 2.234 7.283 ( 0.000 -2.934 0.000) 2.934 7.362 ( 0.000 -0.166 0.000) 0.166 7.400 ( 0.000 -3.307 0.000) 3.307 7.470 ( 0.000 -1.403 0.000) 1.403 7.490 ( 0.000 7.364 0.000) 7.364 7.576 ( 0.000 -0.548 0.000) 0.548 7.605 ( 0.000 4.201 0.000) 4.201 7.749 ( 0.000 4.273 0.000) 4.273 7.771 ( 0.000 -8.414 0.000) 8.414 7.783 ( 0.000 1.952 0.000) 1.952 7.988 ( 0.000 -8.233 0.000) 8.233 8.056 ( 0.000 9.178 0.000) 9.178 8.145 ( 0.000 3.203 0.000) 3.203 8.280 ( 0.000 3.821 0.000) 3.821 8.281 ( 0.000 -2.713 0.000) 2.713 8.319 ( 0.000 9.789 0.000) 9.789 8.409 ( 0.000 3.106 0.000) 3.106 8.455 ( 0.000 -4.327 0.000) 4.327 8.509 ( 0.000 12.341 0.000) 12.341 8.653 ( 0.000 -4.101 0.000) 4.101 8.767 ( 0.000 12.956 0.000) 12.956 8.908 ( 0.000 0.847 0.000) 0.847 9.089 ( 0.000 3.074 0.000) 3.074 9.109 ( 0.000 -0.778 0.000) 0.778 9.340 ( 0.000 1.682 0.000) 1.682 9.402 ( 0.000 14.405 0.000) 14.405 9.570 ( 0.000 -0.231 0.000) 0.231 9.670 ( 0.000 -0.737 0.000) 0.737 9.791 ( 0.000 1.399 0.000) 1.399 9.845 ( 0.000 -5.649 0.000) 5.649 9.940 ( 0.000 -0.706 0.000) 0.706 10.031 ( 0.000 7.590 0.000) 7.590 10.200 ( 0.000 6.258 0.000) 6.258 10.352 ( 0.000 15.906 0.000) 15.906 10.547 ( 0.000 8.636 0.000) 8.636 10.740 ( 0.000 6.913 0.000) 6.913 10.870 ( 0.000 5.983 0.000) 5.983 11.131 ( 0.000 5.118 0.000) 5.118 11.195 ( 0.000 0.854 0.000) 0.854 11.676 ( 0.000 0.792 0.000) 0.792 11.684 ( 0.000 -3.771 0.000) 3.771 11.729 ( 0.000 0.183 0.000) 0.183 11.834 ( 0.000 3.039 0.000) 3.039 11.983 ( 0.000 -1.676 0.000) 1.676 12.028 ( 0.000 0.139 0.000) 0.139 12.387 ( 0.000 -0.342 0.000) 0.342 12.482 ( 0.000 -1.717 0.000) 1.717 12.554 ( 0.000 -8.893 0.000) 8.893 12.845 ( 0.000 -10.476 0.000) 10.476 13.570 ( 0.000 0.578 0.000) 0.578 13.571 ( 0.000 2.148 0.000) 2.148 13.663 ( 0.000 6.541 0.000) 6.541 13.750 ( 0.000 5.396 0.000) 5.396 14.350 ( 0.000 -5.482 0.000) 5.482 14.380 ( 0.000 -3.614 0.000) 3.614 14.658 ( 0.000 6.023 0.000) 6.023 14.833 ( 0.000 -0.601 0.000) 0.601 15.112 ( 0.000 6.157 0.000) 6.157 15.194 ( 0.000 -4.555 0.000) 4.555 15.350 ( 0.000 -4.795 0.000) 4.795 15.411 ( 0.000 -2.398 0.000) 2.398 15.775 ( 0.000 4.549 0.000) 4.549 15.917 ( 0.000 -0.074 0.000) 0.074 15.938 ( 0.000 2.557 0.000) 2.557 16.102 ( 0.000 -1.330 0.000) 1.330 16.402 ( 0.000 6.405 0.000) 6.405 16.430 ( 0.000 3.886 0.000) 3.886 16.578 ( 0.000 8.138 0.000) 8.138 16.748 ( 0.000 -0.899 0.000) 0.899 16.938 ( 0.000 19.764 0.000) 19.764 17.248 ( 0.000 5.093 0.000) 5.093 17.485 ( 0.000 18.034 0.000) 18.034 17.610 ( 0.000 14.964 0.000) 14.964 18.205 ( 0.000 -15.740 0.000) 15.740 18.250 ( 0.000 -16.807 0.000) 16.807 18.433 ( 0.000 -9.408 0.000) 9.408 18.577 ( 0.000 -10.963 0.000) 10.963 19.390 ( 0.000 17.687 0.000) 17.687 19.552 ( 0.000 12.461 0.000) 12.461 20.310 ( 0.000 -11.150 0.000) 11.150 20.318 ( 0.000 -12.126 0.000) 12.126 ======================= Grid point 16 (11/55) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 8.341 2.402 -1.996) 8.906 1.256 ( 6.606 -1.040 -1.455) 6.844 1.356 ( 12.076 5.906 -1.358) 13.511 1.463 ( -0.645 7.100 -1.902) 7.379 1.583 ( 4.175 2.409 0.316) 4.830 1.639 ( 4.469 2.524 2.119) 5.552 1.720 ( 3.439 -2.347 3.688) 5.562 1.847 ( -0.415 -1.717 -4.858) 5.169 1.879 ( 8.034 5.904 -1.959) 10.161 1.904 ( -2.053 -5.709 2.510) 6.566 1.995 ( 6.425 2.866 -0.641) 7.065 2.080 ( 3.400 4.086 -0.150) 5.318 2.117 ( -4.360 -1.568 2.748) 5.387 2.191 ( -0.962 -0.425 -2.082) 2.332 2.216 ( -0.743 -2.875 -2.878) 4.135 2.290 ( 0.918 0.490 -1.057) 1.483 2.370 ( 2.319 -0.495 2.676) 3.575 2.430 ( -2.270 2.098 0.340) 3.110 2.457 ( -1.170 -3.131 2.497) 4.172 2.494 ( 2.690 0.921 1.188) 3.082 2.512 ( 0.879 1.724 0.955) 2.158 2.543 ( -0.073 2.160 0.790) 2.301 2.577 ( 3.484 -0.728 -2.130) 4.148 2.631 ( 2.081 1.462 1.923) 3.188 2.642 ( 1.700 -0.716 2.870) 3.412 2.670 ( 0.733 -2.283 -0.569) 2.465 2.744 ( 0.173 3.698 0.578) 3.747 2.842 ( 0.072 -0.936 0.725) 1.186 2.856 ( 1.745 -0.638 -0.139) 1.863 2.928 ( 0.602 -2.511 -4.341) 5.051 2.948 ( -0.149 -2.930 -0.005) 2.934 3.033 ( 0.650 1.550 5.752) 5.993 3.080 ( -0.713 1.818 -2.328) 3.038 3.153 ( 4.964 2.248 -1.935) 5.783 3.172 ( 2.083 1.480 -0.238) 2.567 3.299 ( -2.216 2.380 -2.592) 4.158 3.324 ( -1.730 -1.512 -0.888) 2.463 3.428 ( -2.785 -5.850 2.784) 7.052 3.482 ( 0.671 12.185 4.218) 12.912 3.539 ( -3.054 -1.702 -1.695) 3.885 3.624 ( 0.870 -8.129 -0.671) 8.203 3.687 ( 4.712 -1.261 2.040) 5.288 3.771 ( 0.282 0.932 1.839) 2.081 3.798 ( 2.942 -4.094 0.719) 5.093 3.920 ( 0.716 -2.722 1.497) 3.188 4.040 ( 0.554 0.172 -0.686) 0.899 4.160 ( -4.649 3.457 -6.606) 8.787 4.241 ( -1.610 -5.740 -0.852) 6.022 4.316 ( -7.327 1.121 0.124) 7.413 4.353 ( -1.528 -3.528 -4.944) 6.263 4.474 ( -2.022 -4.777 -2.519) 5.767 4.540 ( -9.791 10.815 -6.159) 15.835 4.613 ( 0.291 3.273 2.697) 4.251 4.781 ( 4.374 0.959 -0.262) 4.486 4.825 ( -1.500 -5.757 -0.479) 5.968 4.962 ( -1.886 -0.190 -0.996) 2.141 5.058 ( 6.248 5.275 8.717) 11.952 5.106 ( -6.166 0.454 3.966) 7.345 5.164 ( -0.345 -1.546 1.068) 1.910 5.259 ( -3.363 -2.176 -3.533) 5.341 5.270 ( -2.406 -1.020 -1.550) 3.039 5.328 ( 3.501 0.849 3.298) 4.884 5.470 ( 0.039 -5.251 -0.398) 5.266 5.516 ( 1.058 0.249 -1.166) 1.594 5.583 ( 2.060 1.003 1.646) 2.821 5.604 ( 2.426 -2.234 4.148) 5.299 5.635 ( 0.689 -3.888 1.706) 4.301 5.719 ( -1.124 -1.268 -5.019) 5.297 5.833 ( -1.748 -4.309 -3.726) 5.959 5.839 ( -3.271 11.586 1.526) 12.135 5.923 ( -0.138 -2.597 -1.163) 2.849 5.967 ( -0.963 -6.371 -0.193) 6.446 6.019 ( -0.865 5.034 -0.038) 5.108 6.097 ( 0.922 0.990 -3.730) 3.967 6.174 ( 0.986 2.095 3.455) 4.159 6.274 ( 3.585 4.196 3.613) 6.596 6.364 ( 2.486 2.676 2.248) 4.288 6.371 ( 2.478 3.667 1.875) 4.807 6.444 ( 3.314 2.833 -0.999) 4.473 6.476 ( 2.580 3.126 -3.552) 5.389 6.634 ( -4.018 4.373 -0.842) 5.997 6.785 ( 1.023 1.342 -1.773) 2.448 6.906 ( -4.095 1.603 2.536) 5.076 6.933 ( -5.075 -0.716 -1.378) 5.307 6.962 ( -0.517 0.871 1.132) 1.519 7.084 ( -2.535 0.400 0.679) 2.654 7.181 ( -1.121 2.375 1.084) 2.841 7.271 ( -3.342 1.932 -2.302) 4.494 7.299 ( -1.119 1.567 0.655) 2.034 7.359 ( 0.256 0.446 0.018) 0.514 7.491 ( 0.606 7.585 -0.070) 7.609 7.525 ( -1.959 0.212 0.463) 2.024 7.584 ( 1.570 3.289 -4.066) 5.460 7.641 ( 6.327 -1.075 0.528) 6.439 7.734 ( -0.768 3.339 1.335) 3.677 7.789 ( 1.223 -5.127 3.294) 6.216 7.872 ( 5.557 -1.852 -0.417) 5.872 8.002 ( 1.429 -5.861 1.133) 6.138 8.094 ( 2.295 4.530 1.097) 5.195 8.126 ( -0.792 4.596 1.854) 5.018 8.259 ( -0.771 4.154 -0.303) 4.236 8.303 ( 0.982 4.306 -2.099) 4.890 8.343 ( 2.717 2.478 -2.979) 4.733 8.383 ( -0.546 6.178 -2.442) 6.665 8.455 ( -0.116 -1.681 -0.924) 1.922 8.553 ( 3.018 5.492 1.239) 6.388 8.717 ( 1.047 1.899 4.364) 4.873 8.804 ( 4.916 7.957 5.275) 10.738 8.876 ( -2.130 0.948 -0.023) 2.331 9.050 ( -2.903 -0.636 0.751) 3.066 9.132 ( 2.312 0.114 -5.963) 6.397 9.259 ( -5.401 4.383 -3.047) 7.594 9.367 ( -2.194 14.542 -2.271) 14.880 9.593 ( 0.813 -1.839 -2.460) 3.177 9.702 ( 4.131 6.528 1.588) 7.887 9.793 ( 0.428 -1.391 -1.564) 2.137 9.842 ( -0.400 -3.486 1.929) 4.004 9.981 ( 0.855 -0.987 1.279) 1.827 10.036 ( 0.078 7.875 0.896) 7.926 10.208 ( 3.510 5.471 -0.555) 6.524 10.374 ( 0.499 14.481 1.457) 14.562 10.581 ( 2.975 9.733 -0.955) 10.222 10.801 ( 3.289 7.768 5.715) 10.189 10.861 ( 0.071 4.872 0.459) 4.894 11.072 ( -4.651 2.809 -2.799) 6.112 11.202 ( 2.376 0.754 -2.905) 3.828 11.521 ( -8.724 2.493 -3.105) 9.590 11.594 ( -8.197 -3.930 -0.469) 9.103 11.760 ( -2.370 -1.875 0.147) 3.026 11.849 ( -0.958 0.728 -0.739) 1.412 11.947 ( 1.694 -0.583 1.938) 2.639 12.087 ( 2.814 0.461 1.222) 3.102 12.434 ( 2.588 -2.601 2.499) 4.439 12.556 ( 6.091 -2.002 0.763) 6.456 12.619 ( 6.118 -8.012 1.188) 10.151 12.808 ( -2.655 -9.018 -2.412) 9.706 13.561 ( -0.956 2.327 0.562) 2.578 13.572 ( -0.413 1.818 0.918) 2.078 13.673 ( 1.069 5.790 -0.608) 5.919 13.752 ( 0.153 5.539 -0.040) 5.542 14.366 ( 0.743 -5.328 1.532) 5.594 14.418 ( 1.619 -3.893 3.011) 5.181 14.530 ( -4.796 3.862 -7.154) 9.439 14.835 ( -2.767 -0.817 -7.790) 8.307 15.047 ( -3.253 2.400 2.347) 4.675 15.130 ( -6.405 -1.889 -0.746) 6.720 15.334 ( -3.355 0.101 0.061) 3.357 15.463 ( 3.467 -3.179 12.795) 13.632 15.779 ( -0.444 3.593 -1.873) 4.076 15.891 ( -0.067 1.050 -5.321) 5.424 15.982 ( 1.849 1.676 1.273) 2.801 16.093 ( 1.804 0.047 -2.336) 2.952 16.410 ( -1.711 2.927 -0.655) 3.453 16.437 ( -0.235 4.910 2.001) 5.307 16.546 ( 2.517 11.002 -1.852) 11.437 16.800 ( 0.949 2.860 6.101) 6.805 17.031 ( 8.319 13.001 -1.498) 15.507 17.231 ( -1.407 6.904 -0.600) 7.071 17.434 ( -4.628 17.920 -1.168) 18.545 17.573 ( -3.240 15.053 0.097) 15.399 18.227 ( 1.954 -17.345 -1.063) 17.487 18.270 ( 2.580 -15.201 0.216) 15.419 18.404 ( -3.189 -11.092 0.849) 11.573 18.551 ( -2.709 -10.477 0.209) 10.824 19.379 ( -0.758 18.850 -0.431) 18.870 19.531 ( -2.030 13.588 0.609) 13.753 20.320 ( 0.884 -11.462 0.017) 11.496 20.327 ( 0.852 -12.039 -0.042) 12.069 ======================= Grid point 17 (12/55) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 3.290 0.029 -1.650) 3.681 1.393 ( 6.490 -8.183 -1.121) 10.505 1.449 ( 0.628 8.650 -0.912) 8.720 1.585 ( 9.746 -1.214 -0.402) 9.829 1.676 ( 1.659 -1.990 0.267) 2.604 1.706 ( -0.054 -0.647 2.632) 2.711 1.785 ( 1.644 -0.238 1.303) 2.111 1.805 ( -0.996 0.607 -1.030) 1.556 1.866 ( -0.250 -4.157 0.070) 4.165 1.970 ( 1.862 2.145 -1.692) 3.306 2.022 ( -3.341 1.030 0.389) 3.517 2.103 ( -0.145 1.000 1.026) 1.440 2.146 ( -0.975 2.078 -0.847) 2.446 2.193 ( -0.189 -4.265 -1.695) 4.593 2.217 ( 9.656 5.343 -3.791) 11.669 2.331 ( 2.003 1.466 1.781) 3.054 2.374 ( -2.305 2.470 0.397) 3.401 2.418 ( 0.674 -2.108 -0.362) 2.242 2.459 ( 0.003 2.960 1.720) 3.423 2.489 ( -2.473 0.750 0.105) 2.586 2.524 ( 0.005 0.055 1.401) 1.402 2.577 ( 0.071 1.393 4.181) 4.407 2.615 ( 2.711 0.230 -3.429) 4.377 2.658 ( -0.586 0.542 -2.377) 2.508 2.724 ( 2.083 -2.006 1.342) 3.188 2.771 ( 2.417 2.912 0.246) 3.792 2.784 ( 7.398 -2.017 5.996) 9.734 2.838 ( 2.219 -1.038 -1.494) 2.869 2.894 ( 0.502 -6.198 3.634) 7.202 2.937 ( 1.597 -3.522 2.275) 4.487 2.942 ( 1.402 -2.270 -2.707) 3.801 3.046 ( -1.078 4.119 -2.289) 4.834 3.060 ( -1.284 0.757 -0.777) 1.681 3.088 ( -6.413 1.779 -0.956) 6.724 3.181 ( -4.077 -0.169 -2.496) 4.783 3.277 ( 3.651 4.340 -1.662) 5.910 3.351 ( 0.230 1.451 0.002) 1.469 3.403 ( -5.573 1.279 0.367) 5.729 3.468 ( 3.512 -3.917 3.958) 6.583 3.534 ( 1.573 8.763 1.385) 9.010 3.627 ( 0.058 -4.206 -1.347) 4.417 3.745 ( 3.477 -0.801 1.600) 3.911 3.802 ( -3.850 -8.112 0.539) 8.996 3.825 ( 1.779 -5.176 0.969) 5.559 4.017 ( -0.501 4.027 -2.539) 4.786 4.044 ( 1.076 5.785 -2.310) 6.321 4.085 ( 6.367 2.717 2.215) 7.268 4.144 ( -4.020 -1.165 -2.455) 4.852 4.206 ( -4.501 1.265 1.931) 5.059 4.267 ( -5.974 9.219 -2.003) 11.166 4.302 ( -3.213 4.948 -3.718) 6.973 4.501 ( -1.590 -8.974 -2.237) 9.385 4.614 ( 1.789 -1.603 2.897) 3.764 4.736 ( -5.087 -7.566 -2.602) 9.481 4.884 ( 1.890 -1.174 -0.355) 2.253 4.927 ( 0.860 -0.476 -1.690) 1.955 5.013 ( -1.765 1.567 3.239) 4.007 5.089 ( -1.881 5.374 -1.592) 5.912 5.182 ( 1.004 -2.868 -2.998) 4.268 5.261 ( 1.314 1.776 8.923) 9.192 5.329 ( -2.518 1.445 0.444) 2.937 5.377 ( -3.649 -3.910 -0.214) 5.353 5.427 ( 7.637 -2.574 5.433) 9.720 5.522 ( 0.423 -3.215 0.353) 3.262 5.580 ( -0.923 -7.387 0.503) 7.461 5.604 ( -1.129 -3.503 -2.223) 4.300 5.630 ( -1.692 -2.656 -5.826) 6.623 5.718 ( -3.747 -1.160 -3.357) 5.163 5.790 ( -0.795 9.433 0.140) 9.467 5.849 ( 7.444 3.096 3.325) 8.721 5.953 ( 0.677 -3.506 2.249) 4.220 5.989 ( 1.036 3.649 -2.667) 4.637 5.992 ( -0.723 -2.498 1.998) 3.280 6.131 ( 2.410 -1.269 -2.302) 3.566 6.164 ( -2.455 -0.361 1.249) 2.778 6.294 ( -2.292 5.221 -0.396) 5.715 6.316 ( -1.804 4.123 -0.983) 4.606 6.489 ( 3.939 2.601 4.382) 6.441 6.525 ( 3.252 1.781 0.935) 3.824 6.528 ( 2.227 0.481 0.114) 2.281 6.619 ( 4.059 1.658 -2.074) 4.851 6.736 ( -4.452 -2.655 -4.088) 6.602 6.820 ( -5.700 0.825 2.491) 6.275 6.825 ( -2.844 1.976 0.660) 3.526 6.935 ( -2.534 -5.337 -0.562) 5.935 7.077 ( 0.800 6.407 0.324) 6.464 7.120 ( -1.614 2.922 -0.872) 3.450 7.206 ( -1.935 4.672 -0.174) 5.060 7.367 ( 4.150 5.863 1.227) 7.287 7.408 ( 4.166 4.199 -0.664) 5.952 7.446 ( -3.252 6.467 -1.024) 7.311 7.513 ( -1.651 2.195 2.240) 3.544 7.615 ( 3.224 3.568 -2.290) 5.327 7.699 ( -0.975 5.687 -0.744) 5.818 7.748 ( 2.001 -3.662 1.844) 4.562 7.818 ( -0.571 -5.260 -0.557) 5.320 7.948 ( 3.157 -0.898 1.254) 3.514 8.031 ( -0.301 -4.194 -2.369) 4.826 8.081 ( -2.150 0.207 3.292) 3.937 8.203 ( 2.970 7.524 3.490) 8.810 8.285 ( 1.726 4.105 0.446) 4.476 8.322 ( 1.959 4.677 -0.243) 5.077 8.337 ( -1.146 4.261 1.140) 4.557 8.367 ( 1.784 3.457 -3.379) 5.153 8.441 ( -1.017 -1.529 -1.548) 2.402 8.568 ( -0.410 1.069 -3.991) 4.152 8.732 ( -0.442 3.748 2.791) 4.694 8.869 ( -0.419 0.184 0.982) 1.084 8.984 ( 2.997 5.573 4.800) 7.942 9.016 ( 2.425 -1.399 2.815) 3.970 9.080 ( -2.097 6.847 -2.285) 7.517 9.173 ( -0.874 1.346 -6.055) 6.264 9.321 ( -0.855 15.262 -1.179) 15.331 9.553 ( -1.913 -1.906 -2.502) 3.682 9.771 ( 0.802 -1.909 -2.326) 3.114 9.800 ( 1.248 7.729 1.941) 8.066 9.847 ( -0.920 4.413 0.862) 4.590 9.995 ( 1.265 -5.088 0.387) 5.257 10.038 ( -0.419 8.906 1.093) 8.983 10.295 ( 2.732 8.903 0.590) 9.331 10.390 ( 0.302 14.877 0.863) 14.905 10.635 ( 3.745 3.246 0.327) 4.966 10.879 ( 1.478 3.900 1.693) 4.502 10.897 ( -0.339 12.091 0.002) 12.095 10.953 ( -3.122 1.247 -0.918) 3.485 11.261 ( 4.643 -2.544 -1.375) 5.470 11.366 ( -5.968 -1.198 0.021) 6.087 11.438 ( -4.084 -1.457 -1.724) 4.666 11.652 ( -5.374 -0.045 -1.319) 5.533 11.842 ( 0.275 -1.678 -0.537) 1.784 12.008 ( 1.238 -1.812 2.597) 3.400 12.132 ( 1.007 -0.890 0.586) 1.466 12.520 ( 4.153 -1.447 2.748) 5.186 12.619 ( -0.042 -3.491 -2.861) 4.513 12.740 ( -1.500 -8.244 -1.461) 8.506 12.767 ( 4.999 -7.696 2.456) 9.500 13.544 ( -0.752 3.872 -0.006) 3.945 13.568 ( -0.347 2.546 0.494) 2.617 13.687 ( 0.528 4.925 -0.436) 4.973 13.754 ( 0.047 6.098 0.038) 6.098 14.336 ( -3.139 -2.072 -1.505) 4.051 14.428 ( 1.055 2.378 1.914) 3.230 14.544 ( 3.442 -6.735 1.343) 7.682 14.674 ( -4.552 -1.774 -6.295) 7.968 14.971 ( -6.380 0.164 -1.391) 6.532 15.030 ( -0.559 -4.027 0.426) 4.088 15.332 ( 0.415 4.687 2.404) 5.284 15.613 ( 3.032 -3.277 8.869) 9.930 15.745 ( -0.612 4.410 -1.204) 4.613 15.836 ( -2.033 2.660 -5.536) 6.470 15.972 ( -0.551 1.393 -0.885) 1.740 16.174 ( 4.200 -2.006 1.739) 4.969 16.329 ( -3.170 6.533 -3.581) 8.097 16.440 ( -0.377 6.783 1.136) 6.888 16.674 ( 8.644 8.283 0.018) 11.972 16.812 ( -4.181 4.523 3.557) 7.112 17.163 ( 4.790 7.426 -0.796) 8.872 17.195 ( -1.699 11.747 0.177) 11.870 17.331 ( -3.360 15.669 -1.475) 16.093 17.517 ( -2.090 15.791 0.128) 15.929 18.262 ( 3.282 -16.185 -2.574) 16.714 18.330 ( -2.250 -15.244 1.292) 15.463 18.347 ( 1.188 -16.300 1.432) 16.406 18.489 ( -3.110 -8.173 -0.067) 8.745 19.364 ( -0.413 20.627 -0.262) 20.633 19.501 ( -1.058 14.989 0.362) 15.030 20.335 ( 0.505 -11.885 -0.017) 11.896 20.342 ( 0.503 -11.905 0.007) 11.916 ======================= Grid point 20 (13/55) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.053 ( 0.000 4.084 0.000) 4.084 1.130 ( 0.000 -3.967 0.000) 3.967 1.351 ( 0.000 4.851 0.000) 4.851 1.436 ( 0.000 -4.421 0.000) 4.421 1.628 ( 0.000 1.247 0.000) 1.247 1.628 ( 0.000 1.674 0.000) 1.674 1.791 ( 0.000 2.196 0.000) 2.196 1.831 ( 0.000 -3.742 0.000) 3.742 1.849 ( 0.000 6.858 0.000) 6.858 1.950 ( 0.000 -3.305 0.000) 3.305 1.979 ( 0.000 10.292 0.000) 10.292 2.057 ( 0.000 4.248 0.000) 4.248 2.086 ( 0.000 -1.425 0.000) 1.425 2.155 ( 0.000 -0.661 0.000) 0.661 2.203 ( 0.000 -9.497 0.000) 9.497 2.228 ( 0.000 -6.274 0.000) 6.274 2.327 ( 0.000 2.344 0.000) 2.344 2.390 ( 0.000 -3.926 0.000) 3.926 2.410 ( 0.000 -1.383 0.000) 1.383 2.458 ( 0.000 -4.415 0.000) 4.415 2.487 ( 0.000 4.119 0.000) 4.119 2.505 ( 0.000 1.605 0.000) 1.605 2.604 ( 0.000 2.123 0.000) 2.123 2.610 ( 0.000 1.263 0.000) 1.263 2.679 ( 0.000 0.944 0.000) 0.944 2.708 ( 0.000 -0.373 0.000) 0.373 2.771 ( 0.000 -1.977 0.000) 1.977 2.798 ( 0.000 -2.787 0.000) 2.787 2.878 ( 0.000 -1.590 0.000) 1.590 2.910 ( 0.000 -1.303 0.000) 1.303 2.956 ( 0.000 9.984 0.000) 9.984 3.016 ( 0.000 4.573 0.000) 4.573 3.083 ( 0.000 0.831 0.000) 0.831 3.107 ( 0.000 -2.217 0.000) 2.217 3.239 ( 0.000 0.243 0.000) 0.243 3.270 ( 0.000 -9.280 0.000) 9.280 3.329 ( 0.000 -0.514 0.000) 0.514 3.372 ( 0.000 -1.194 0.000) 1.194 3.427 ( 0.000 4.693 0.000) 4.693 3.588 ( 0.000 -3.401 0.000) 3.401 3.630 ( 0.000 3.020 0.000) 3.020 3.665 ( 0.000 -3.415 0.000) 3.415 3.667 ( 0.000 1.144 0.000) 1.144 3.734 ( 0.000 -8.136 0.000) 8.136 4.061 ( 0.000 -0.030 0.000) 0.030 4.072 ( 0.000 5.175 0.000) 5.175 4.102 ( 0.000 9.299 0.000) 9.299 4.241 ( 0.000 -0.605 0.000) 0.605 4.408 ( 0.000 -3.604 0.000) 3.604 4.422 ( 0.000 9.049 0.000) 9.049 4.439 ( 0.000 -3.489 0.000) 3.489 4.634 ( 0.000 -3.802 0.000) 3.802 4.790 ( 0.000 1.867 0.000) 1.867 4.831 ( 0.000 -2.824 0.000) 2.824 4.865 ( 0.000 7.002 0.000) 7.002 4.954 ( 0.000 12.629 0.000) 12.629 5.013 ( 0.000 -7.721 0.000) 7.721 5.180 ( 0.000 2.485 0.000) 2.485 5.219 ( 0.000 -3.559 0.000) 3.559 5.219 ( 0.000 -2.156 0.000) 2.156 5.242 ( 0.000 2.659 0.000) 2.659 5.317 ( 0.000 -0.880 0.000) 0.880 5.322 ( 0.000 -3.437 0.000) 3.437 5.432 ( 0.000 -5.561 0.000) 5.561 5.445 ( 0.000 -0.371 0.000) 0.371 5.536 ( 0.000 -13.758 0.000) 13.758 5.637 ( 0.000 -1.996 0.000) 1.996 5.638 ( 0.000 -0.940 0.000) 0.940 5.790 ( 0.000 8.376 0.000) 8.376 5.933 ( 0.000 -3.691 0.000) 3.691 5.939 ( 0.000 1.344 0.000) 1.344 5.985 ( 0.000 -0.137 0.000) 0.137 6.146 ( 0.000 5.787 0.000) 5.787 6.202 ( 0.000 4.239 0.000) 4.239 6.236 ( 0.000 0.672 0.000) 0.672 6.242 ( 0.000 -3.143 0.000) 3.143 6.365 ( 0.000 9.052 0.000) 9.052 6.420 ( 0.000 2.278 0.000) 2.278 6.426 ( 0.000 1.133 0.000) 1.133 6.489 ( 0.000 -3.733 0.000) 3.733 6.808 ( 0.000 3.269 0.000) 3.269 6.851 ( 0.000 4.743 0.000) 4.743 6.897 ( 0.000 -5.425 0.000) 5.425 6.919 ( 0.000 -2.211 0.000) 2.211 7.098 ( 0.000 10.061 0.000) 10.061 7.223 ( 0.000 -0.328 0.000) 0.328 7.229 ( 0.000 -0.213 0.000) 0.213 7.255 ( 0.000 10.861 0.000) 10.861 7.293 ( 0.000 -4.292 0.000) 4.292 7.394 ( 0.000 -6.046 0.000) 6.046 7.394 ( 0.000 1.609 0.000) 1.609 7.543 ( 0.000 -6.713 0.000) 6.713 7.553 ( 0.000 0.352 0.000) 0.352 7.583 ( 0.000 -6.874 0.000) 6.874 7.668 ( 0.000 3.761 0.000) 3.761 7.755 ( 0.000 -4.865 0.000) 4.865 7.884 ( 0.000 8.036 0.000) 8.036 7.933 ( 0.000 3.717 0.000) 3.717 8.080 ( 0.000 -4.576 0.000) 4.576 8.092 ( 0.000 -7.112 0.000) 7.112 8.349 ( 0.000 7.784 0.000) 7.784 8.368 ( 0.000 4.889 0.000) 4.889 8.437 ( 0.000 -0.765 0.000) 0.765 8.445 ( 0.000 0.282 0.000) 0.282 8.468 ( 0.000 5.282 0.000) 5.282 8.553 ( 0.000 -5.595 0.000) 5.595 8.722 ( 0.000 8.912 0.000) 8.912 8.854 ( 0.000 -5.349 0.000) 5.349 8.967 ( 0.000 8.107 0.000) 8.107 9.082 ( 0.000 -3.512 0.000) 3.512 9.226 ( 0.000 10.030 0.000) 10.030 9.347 ( 0.000 -1.272 0.000) 1.272 9.546 ( 0.000 -1.265 0.000) 1.265 9.592 ( 0.000 -6.328 0.000) 6.328 9.648 ( 0.000 9.704 0.000) 9.704 9.770 ( 0.000 -3.614 0.000) 3.614 9.797 ( 0.000 1.530 0.000) 1.530 9.862 ( 0.000 -4.389 0.000) 4.389 10.201 ( 0.000 7.375 0.000) 7.375 10.274 ( 0.000 0.279 0.000) 0.279 10.614 ( 0.000 9.398 0.000) 9.398 10.661 ( 0.000 3.115 0.000) 3.115 10.825 ( 0.000 2.396 0.000) 2.396 10.886 ( 0.000 -3.141 0.000) 3.141 11.234 ( 0.000 3.003 0.000) 3.003 11.235 ( 0.000 4.070 0.000) 4.070 11.614 ( 0.000 -2.355 0.000) 2.355 11.632 ( 0.000 -3.467 0.000) 3.467 11.793 ( 0.000 5.699 0.000) 5.699 11.905 ( 0.000 -3.602 0.000) 3.602 11.939 ( 0.000 3.426 0.000) 3.426 12.010 ( 0.000 -2.328 0.000) 2.328 12.369 ( 0.000 -0.145 0.000) 0.145 12.414 ( 0.000 -5.130 0.000) 5.130 12.527 ( 0.000 5.477 0.000) 5.477 12.663 ( 0.000 -8.516 0.000) 8.516 13.578 ( 0.000 0.694 0.000) 0.694 13.588 ( 0.000 -0.064 0.000) 0.064 13.791 ( 0.000 5.337 0.000) 5.337 13.829 ( 0.000 1.731 0.000) 1.731 14.281 ( 0.000 -1.274 0.000) 1.274 14.307 ( 0.000 -3.440 0.000) 3.440 14.772 ( 0.000 5.033 0.000) 5.033 14.823 ( 0.000 -0.744 0.000) 0.744 15.132 ( 0.000 -0.956 0.000) 0.956 15.170 ( 0.000 -2.590 0.000) 2.590 15.284 ( 0.000 1.674 0.000) 1.674 15.353 ( 0.000 -3.758 0.000) 3.758 15.846 ( 0.000 3.061 0.000) 3.061 15.895 ( 0.000 -2.008 0.000) 2.008 15.992 ( 0.000 3.509 0.000) 3.509 16.058 ( 0.000 -3.114 0.000) 3.114 16.465 ( 0.000 1.585 0.000) 1.585 16.475 ( 0.000 0.743 0.000) 0.743 16.725 ( 0.000 4.351 0.000) 4.351 16.748 ( 0.000 0.460 0.000) 0.460 17.354 ( 0.000 22.092 0.000) 22.092 17.459 ( 0.000 17.187 0.000) 17.187 17.697 ( 0.000 -6.925 0.000) 6.925 17.796 ( 0.000 -9.264 0.000) 9.264 17.942 ( 0.000 3.409 0.000) 3.409 18.060 ( 0.000 6.365 0.000) 6.365 18.196 ( 0.000 -14.573 0.000) 14.573 18.321 ( 0.000 -15.318 0.000) 15.318 19.734 ( 0.000 17.803 0.000) 17.803 19.812 ( 0.000 14.351 0.000) 14.351 20.051 ( 0.000 -15.392 0.000) 15.392 20.079 ( 0.000 -13.470 0.000) 13.470 ======================= Grid point 21 (14/55) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 4.676 3.091 -1.508) 5.804 1.176 ( 4.736 -5.140 -1.958) 7.258 1.447 ( 7.707 2.982 -1.187) 8.349 1.491 ( 3.574 -1.743 -0.759) 4.048 1.605 ( 0.381 2.659 2.667) 3.785 1.673 ( 0.247 -2.933 3.744) 4.762 1.783 ( 0.469 1.781 -1.909) 2.653 1.816 ( -0.498 -2.370 -1.247) 2.724 1.856 ( 1.142 7.840 -1.462) 8.057 1.955 ( 2.149 0.483 -2.433) 3.282 2.021 ( 2.614 0.358 1.695) 3.136 2.077 ( 1.756 -3.178 -3.437) 4.999 2.141 ( 2.632 1.655 -1.188) 3.328 2.167 ( 2.269 2.357 -1.526) 3.610 2.198 ( 0.501 -1.591 -1.269) 2.096 2.239 ( 2.448 -5.024 1.181) 5.712 2.321 ( 0.757 0.134 -0.765) 1.085 2.409 ( 0.161 -1.971 1.453) 2.454 2.441 ( 3.259 -5.332 -0.973) 6.325 2.464 ( 2.314 -1.154 4.533) 5.218 2.509 ( 0.482 1.338 1.052) 1.770 2.552 ( 2.157 1.027 3.791) 4.481 2.595 ( -0.535 1.933 1.400) 2.446 2.621 ( 0.090 -0.207 1.497) 1.514 2.663 ( -1.328 2.212 -0.689) 2.670 2.717 ( -0.151 0.653 3.554) 3.616 2.767 ( -1.220 -2.814 0.460) 3.101 2.778 ( -0.554 -1.187 -0.807) 1.539 2.892 ( 2.718 1.693 -3.287) 4.589 2.939 ( 1.853 0.412 0.822) 2.069 2.960 ( 0.000 7.026 1.241) 7.135 3.046 ( 3.086 0.168 -1.324) 3.362 3.085 ( 0.943 -0.341 -1.736) 2.005 3.128 ( 1.059 -2.565 1.735) 3.273 3.231 ( -1.759 -2.722 -2.316) 3.984 3.286 ( -0.136 -3.230 -2.328) 3.984 3.307 ( 1.094 5.475 -0.278) 5.590 3.381 ( -0.793 -1.888 1.742) 2.688 3.449 ( 2.707 -0.426 1.830) 3.295 3.520 ( -4.160 -1.611 -2.051) 4.910 3.628 ( 2.302 -0.356 0.206) 2.338 3.686 ( 1.820 -6.457 -0.118) 6.709 3.742 ( 0.950 2.600 4.627) 5.392 3.779 ( 1.561 -1.476 3.882) 4.437 4.037 ( -0.267 5.082 -2.090) 5.501 4.074 ( -0.381 -2.596 0.283) 2.639 4.134 ( -1.370 7.755 -0.565) 7.895 4.207 ( 1.673 -4.543 -1.116) 4.968 4.298 ( -4.498 5.529 -1.775) 7.345 4.427 ( -2.324 -2.668 -1.089) 3.703 4.452 ( 3.907 10.978 -3.118) 12.063 4.618 ( 0.672 -4.819 -5.498) 7.342 4.742 ( -4.481 5.725 -2.663) 7.742 4.761 ( -6.761 2.902 -3.804) 8.283 4.806 ( -9.680 4.914 0.549) 10.870 4.887 ( -1.359 -5.754 -1.718) 6.157 5.007 ( 3.727 -6.427 4.750) 8.819 5.090 ( -4.252 -7.901 5.440) 10.493 5.198 ( -0.807 0.788 0.623) 1.288 5.266 ( 0.674 -6.062 3.247) 6.910 5.299 ( 0.210 10.032 2.618) 10.370 5.327 ( -4.335 5.549 -2.500) 7.472 5.407 ( 0.786 -0.191 0.257) 0.848 5.470 ( -2.416 -6.857 -0.593) 7.295 5.498 ( 3.084 -4.542 1.849) 5.793 5.545 ( 3.878 -5.920 7.809) 10.539 5.602 ( 4.601 1.130 -0.587) 4.774 5.645 ( 3.624 -3.378 -8.077) 9.476 5.748 ( -0.530 0.765 -2.559) 2.723 5.821 ( -3.816 -5.826 -3.003) 7.585 6.000 ( -2.696 5.799 0.096) 6.395 6.042 ( 2.627 4.420 4.491) 6.827 6.117 ( -2.475 1.743 -2.541) 3.953 6.140 ( -4.964 3.249 -2.599) 6.477 6.191 ( -0.952 2.751 3.267) 4.376 6.291 ( 4.787 -3.176 4.114) 7.066 6.388 ( -1.393 0.460 -0.096) 1.470 6.403 ( -0.965 -0.180 1.728) 1.987 6.513 ( 6.579 3.670 0.719) 7.567 6.544 ( 5.778 1.621 -1.270) 6.134 6.722 ( -6.091 5.602 -0.797) 8.314 6.810 ( -4.877 0.404 -0.412) 4.911 6.866 ( -2.612 -5.009 -0.436) 5.666 6.875 ( -3.576 -3.809 -1.487) 5.432 7.020 ( -6.759 8.518 3.822) 11.526 7.169 ( -3.107 -3.413 0.147) 4.617 7.225 ( -0.961 4.109 -2.231) 4.774 7.279 ( -1.614 -0.609 -4.577) 4.891 7.325 ( 2.316 4.801 3.419) 6.333 7.409 ( 9.132 4.353 -3.426) 10.680 7.448 ( 3.045 -3.594 -1.076) 4.832 7.566 ( 2.516 -4.154 -0.724) 4.911 7.600 ( 2.847 -1.497 -1.460) 3.532 7.627 ( 3.215 -2.348 0.959) 4.095 7.722 ( 2.874 3.005 2.797) 5.012 7.801 ( 1.505 -2.077 1.204) 2.834 7.851 ( -1.571 4.299 6.015) 7.558 7.949 ( 0.686 -0.344 -0.201) 0.793 8.058 ( 0.060 -1.765 0.743) 1.916 8.147 ( 4.613 -7.035 -2.706) 8.837 8.291 ( -1.577 6.134 0.378) 6.345 8.378 ( -1.387 -1.906 -1.913) 3.036 8.427 ( 0.982 3.992 0.344) 4.125 8.447 ( -0.120 1.717 0.163) 1.729 8.506 ( 1.905 6.813 -2.038) 7.362 8.612 ( 1.317 -3.066 -1.205) 3.548 8.776 ( 3.076 5.746 5.918) 8.804 8.854 ( 0.941 -2.576 3.547) 4.483 8.933 ( -1.148 4.924 -1.917) 5.407 9.019 ( -4.460 -3.357 -4.475) 7.155 9.207 ( -0.059 7.344 -2.103) 7.639 9.315 ( -1.937 -1.135 2.109) 3.080 9.565 ( 1.273 1.959 -3.382) 4.111 9.602 ( -2.148 9.151 -2.559) 9.742 9.680 ( 3.653 -6.508 0.512) 7.481 9.753 ( 1.019 -5.418 1.031) 5.609 9.848 ( 3.703 5.314 2.666) 7.005 9.933 ( 3.262 -3.347 1.945) 5.062 10.184 ( -0.018 6.459 -1.973) 6.754 10.258 ( 1.497 -0.742 -2.640) 3.125 10.626 ( 0.435 11.586 3.598) 12.140 10.754 ( 5.055 5.696 0.939) 7.673 10.822 ( -1.736 -3.427 4.305) 5.770 10.884 ( 0.112 -2.687 1.134) 2.918 11.158 ( -3.724 6.374 -3.245) 8.064 11.228 ( -0.272 0.071 -3.697) 3.708 11.531 ( -7.043 -1.276 -2.808) 7.689 11.540 ( -6.670 -1.431 -2.609) 7.303 11.765 ( -2.547 2.941 -0.969) 4.009 11.835 ( -3.153 -2.918 -2.587) 5.015 11.977 ( 1.123 3.742 4.150) 5.699 12.055 ( 1.101 -3.635 3.289) 5.024 12.416 ( 4.112 0.916 1.268) 4.399 12.474 ( 4.803 -5.106 0.882) 7.065 12.577 ( 4.040 2.540 0.857) 4.848 12.663 ( 0.087 -6.228 -1.068) 6.319 13.584 ( 0.250 0.913 0.685) 1.168 13.593 ( -0.041 0.224 1.266) 1.287 13.794 ( 0.371 5.282 -0.173) 5.298 13.832 ( 0.322 1.703 -0.044) 1.733 14.300 ( 1.170 -0.989 1.659) 2.258 14.334 ( 1.572 -3.965 2.362) 4.876 14.635 ( -5.909 6.573 -7.683) 11.711 14.762 ( -4.320 -6.135 -8.408) 11.270 15.091 ( -7.135 1.769 -0.113) 7.352 15.110 ( -6.368 -0.519 1.147) 6.491 15.338 ( 1.199 0.915 4.001) 4.276 15.384 ( 4.604 -3.911 10.432) 12.055 15.840 ( -0.230 2.833 -2.600) 3.853 15.884 ( 0.183 -1.616 -3.944) 4.266 16.020 ( 1.518 2.645 0.364) 3.071 16.070 ( 1.958 -2.203 -1.223) 3.191 16.464 ( -0.550 2.711 0.902) 2.910 16.491 ( 0.696 0.496 2.081) 2.250 16.727 ( 2.292 6.038 -1.635) 6.663 16.793 ( 3.155 -1.858 -0.550) 3.703 17.382 ( 2.068 20.596 1.447) 20.750 17.469 ( 1.691 17.944 -1.357) 18.075 17.693 ( -1.244 -1.995 1.011) 2.559 17.791 ( -1.341 -0.726 -0.011) 1.526 17.899 ( -2.164 -6.657 -1.448) 7.148 18.070 ( 0.841 3.512 0.504) 3.646 18.142 ( -5.611 -15.668 0.919) 16.668 18.306 ( -1.314 -14.650 -0.267) 14.711 19.738 ( 0.462 18.228 -0.381) 18.238 19.808 ( -0.466 15.058 0.477) 15.073 20.059 ( 0.805 -15.487 -0.237) 15.510 20.085 ( 0.445 -13.802 0.265) 13.812 ======================= Grid point 22 (15/55) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 2.642 1.741 -1.107) 3.352 1.242 ( 2.643 -6.403 -1.843) 7.168 1.525 ( 0.729 1.334 0.746) 1.693 1.559 ( 3.887 -2.331 -0.225) 4.538 1.639 ( 1.000 -0.527 0.139) 1.139 1.670 ( -2.227 -2.699 1.398) 3.768 1.815 ( 0.316 1.307 1.889) 2.319 1.828 ( 3.201 0.641 -1.382) 3.545 1.869 ( 1.706 7.142 -0.673) 7.374 1.983 ( 0.894 -2.608 -0.853) 2.886 2.017 ( -3.021 -0.521 -2.158) 3.749 2.068 ( 0.888 -4.261 0.325) 4.365 2.140 ( 0.446 1.034 -1.331) 1.744 2.182 ( -0.062 -0.499 -1.549) 1.629 2.264 ( 2.950 -1.060 -0.957) 3.277 2.292 ( 0.461 -4.267 0.961) 4.398 2.369 ( 5.436 4.326 -0.836) 6.997 2.432 ( -0.454 2.949 1.745) 3.457 2.505 ( 2.464 -2.287 -2.218) 4.028 2.525 ( 1.321 3.848 1.651) 4.391 2.564 ( 3.027 -2.716 3.373) 5.283 2.581 ( -0.486 1.551 -1.066) 1.944 2.609 ( 0.009 -1.429 0.350) 1.471 2.632 ( 0.711 -1.570 2.801) 3.289 2.657 ( 0.383 -0.027 2.479) 2.509 2.713 ( -2.599 -6.095 -1.844) 6.878 2.767 ( 2.007 -0.268 2.800) 3.455 2.792 ( 0.858 -2.067 1.016) 2.458 2.942 ( -0.168 4.494 1.636) 4.786 2.967 ( 6.307 5.949 -3.093) 9.205 2.980 ( 1.244 7.846 1.579) 8.100 3.079 ( -1.008 -3.106 -0.031) 3.265 3.089 ( -0.562 0.491 -1.717) 1.872 3.127 ( -2.751 -0.328 -2.148) 3.506 3.155 ( -1.794 -0.115 -2.237) 2.870 3.253 ( 0.101 -6.097 0.401) 6.111 3.317 ( -1.836 1.326 -1.058) 2.500 3.382 ( 0.680 -2.812 0.539) 2.943 3.490 ( 2.037 3.276 2.597) 4.651 3.539 ( 2.824 -2.107 5.415) 6.460 3.634 ( -3.105 -1.441 -1.601) 3.779 3.657 ( -3.413 -5.425 -2.583) 6.910 3.754 ( 0.151 2.875 0.218) 2.887 3.808 ( -0.111 -1.582 0.602) 1.696 4.041 ( -0.415 2.587 -0.461) 2.660 4.089 ( 5.528 0.671 -0.865) 5.635 4.142 ( 2.366 1.629 -1.327) 3.164 4.225 ( 1.712 -8.933 -0.784) 9.130 4.272 ( -0.492 10.907 0.188) 10.920 4.377 ( -2.841 7.030 -0.031) 7.582 4.521 ( -7.463 12.013 0.655) 14.158 4.541 ( 1.275 7.701 -2.968) 8.351 4.571 ( -0.899 -1.044 -0.347) 1.421 4.629 ( -2.221 2.304 0.477) 3.236 4.787 ( 2.723 -4.732 -0.456) 5.479 4.884 ( 1.236 -4.982 -1.753) 5.424 4.965 ( -8.918 -4.977 -0.900) 10.252 5.051 ( -3.498 -11.493 -0.671) 12.033 5.192 ( -0.790 4.767 1.579) 5.083 5.270 ( 2.251 -3.727 4.838) 6.508 5.301 ( 0.119 -3.568 3.124) 4.744 5.312 ( -0.688 -4.643 -0.173) 4.696 5.397 ( 2.625 2.236 0.969) 3.581 5.443 ( 0.764 -2.899 -0.402) 3.025 5.527 ( 0.751 4.485 -3.529) 5.756 5.572 ( -4.782 0.068 -2.230) 5.277 5.585 ( -2.375 0.377 -2.104) 3.195 5.698 ( -1.811 -2.618 -2.268) 3.909 5.790 ( 4.475 -1.098 4.334) 6.326 5.831 ( 2.945 -6.814 2.600) 7.865 5.982 ( 0.871 4.287 0.823) 4.451 6.053 ( -0.565 1.556 -1.712) 2.381 6.070 ( 1.925 1.953 -3.236) 4.242 6.081 ( -0.935 -2.824 2.213) 3.708 6.169 ( -3.842 8.473 -0.509) 9.318 6.332 ( -2.688 -3.502 -1.032) 4.533 6.418 ( 3.495 3.075 2.334) 5.207 6.459 ( 5.060 -2.981 4.472) 7.382 6.589 ( -3.712 3.649 -1.758) 5.495 6.624 ( 0.825 3.829 -1.666) 4.257 6.639 ( 1.646 3.327 2.136) 4.283 6.719 ( -0.793 -0.163 -0.235) 0.843 6.785 ( -3.027 -1.652 -2.949) 4.538 6.829 ( -1.019 -5.273 -0.584) 5.402 6.925 ( -4.534 7.268 1.915) 8.778 7.072 ( -4.199 -5.920 0.635) 7.286 7.217 ( 1.600 5.181 -1.604) 5.655 7.267 ( -0.041 0.439 -1.305) 1.378 7.409 ( 3.506 2.532 2.241) 4.871 7.467 ( -0.004 -1.840 -0.523) 1.913 7.535 ( 5.557 6.073 -2.934) 8.739 7.596 ( -1.326 1.800 -1.596) 2.747 7.639 ( 3.818 0.048 -0.326) 3.832 7.679 ( 0.037 -3.408 1.486) 3.718 7.744 ( -0.271 1.422 0.684) 1.601 7.794 ( -1.159 0.146 -0.366) 1.224 7.923 ( 1.985 0.447 5.123) 5.512 7.986 ( 1.522 -2.255 1.511) 3.112 8.073 ( 0.034 2.800 0.327) 2.820 8.210 ( 2.844 -8.595 -1.377) 9.158 8.307 ( 2.217 4.232 1.259) 4.941 8.357 ( -0.516 -0.360 -0.531) 0.823 8.434 ( 0.221 2.599 -1.065) 2.818 8.459 ( 2.134 4.098 -2.894) 5.452 8.483 ( -2.754 4.026 2.648) 5.550 8.555 ( -2.774 -2.219 -2.646) 4.429 8.803 ( -1.490 4.367 1.291) 4.791 8.884 ( -3.552 -1.657 -5.634) 6.863 8.940 ( 2.286 0.031 5.404) 5.868 9.007 ( 4.407 -4.398 2.236) 6.616 9.198 ( 0.549 9.222 -1.804) 9.413 9.306 ( -0.515 1.509 0.187) 1.605 9.536 ( 0.186 5.128 -3.280) 6.090 9.552 ( -1.901 5.475 -1.225) 5.923 9.717 ( 0.950 -1.828 0.444) 2.107 9.792 ( 0.952 -7.366 1.690) 7.617 9.931 ( -0.447 2.660 0.111) 2.700 9.944 ( 0.952 0.430 -0.320) 1.092 10.211 ( 2.690 8.621 0.743) 9.061 10.341 ( 5.410 -3.865 0.562) 6.672 10.646 ( -0.536 11.337 1.640) 11.467 10.723 ( -4.027 4.841 -0.406) 6.310 10.876 ( 1.497 -2.800 1.479) 3.503 10.897 ( -0.174 -4.962 -0.434) 4.984 11.125 ( 1.883 8.762 0.927) 9.010 11.221 ( 2.712 -2.382 -2.090) 4.170 11.357 ( -7.721 1.008 -2.520) 8.184 11.402 ( -4.707 -2.718 -1.234) 5.574 11.699 ( -2.418 4.480 -0.774) 5.149 11.787 ( -0.861 -4.067 -0.703) 4.216 12.013 ( 0.319 2.403 1.864) 3.058 12.083 ( 0.228 -4.035 1.217) 4.221 12.517 ( 4.136 1.124 1.831) 4.661 12.557 ( 2.311 -2.885 0.064) 3.697 12.640 ( -1.088 -2.076 -1.420) 2.740 12.656 ( 2.320 -3.600 0.733) 4.345 13.592 ( 0.072 1.457 0.510) 1.545 13.600 ( -0.024 0.676 0.613) 0.913 13.801 ( 0.285 5.246 -0.126) 5.255 13.838 ( 0.209 1.728 -0.025) 1.741 14.317 ( -0.643 1.106 0.216) 1.297 14.386 ( 1.863 -5.700 2.439) 6.474 14.532 ( -1.195 4.615 -1.474) 4.989 14.622 ( -3.275 -4.044 -4.859) 7.120 14.953 ( -4.906 -0.901 -0.260) 4.995 14.967 ( -4.482 -2.175 -3.215) 5.930 15.428 ( 2.172 5.310 4.645) 7.382 15.528 ( 2.711 -5.098 6.390) 8.612 15.811 ( -0.442 2.673 -1.694) 3.196 15.848 ( -0.851 -1.021 -3.275) 3.535 16.027 ( 0.061 3.903 -0.830) 3.991 16.106 ( 1.408 -4.162 -0.461) 4.418 16.458 ( -0.389 5.788 0.400) 5.815 16.515 ( 0.304 0.480 1.150) 1.283 16.787 ( 3.940 3.356 -0.994) 5.270 16.829 ( 0.167 -1.448 0.152) 1.466 17.431 ( 1.516 18.497 0.837) 18.578 17.507 ( 3.124 19.759 -1.616) 20.069 17.636 ( -5.074 12.694 1.094) 13.714 17.746 ( -1.608 2.755 0.369) 3.211 17.909 ( 4.252 -19.592 -2.704) 20.229 18.021 ( -6.987 -17.511 1.974) 18.957 18.092 ( 0.785 -1.550 0.500) 1.809 18.279 ( -0.957 -13.197 -0.265) 13.234 19.744 ( 0.277 18.870 -0.228) 18.873 19.803 ( -0.250 16.111 0.288) 16.116 20.072 ( 0.473 -15.634 -0.142) 15.642 20.095 ( 0.268 -14.305 0.161) 14.309 ======================= Grid point 45 (16/55) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -8.540 0.000 18.290) 20.186 0.480 ( 6.292 0.000 24.717) 25.506 0.894 ( 1.893 0.000 -9.441) 9.629 0.963 ( 2.003 0.000 49.193) 49.234 1.248 ( 5.146 0.000 4.791) 7.031 1.289 ( -10.522 0.000 -14.461) 17.884 1.499 ( -7.204 0.000 -4.589) 8.541 1.542 ( 0.338 0.000 3.150) 3.168 1.714 ( -2.011 0.000 -4.447) 4.881 1.732 ( 5.769 0.000 -2.228) 6.185 1.796 ( -4.903 0.000 -1.700) 5.189 1.892 ( 4.229 0.000 -5.211) 6.711 1.908 ( 3.428 0.000 -3.645) 5.003 1.990 ( -4.066 0.000 -3.857) 5.605 2.100 ( -4.933 0.000 3.474) 6.033 2.100 ( 5.567 0.000 -10.632) 12.001 2.195 ( 1.476 0.000 -4.251) 4.500 2.323 ( -2.412 0.000 -3.074) 3.908 2.336 ( 3.848 0.000 -0.696) 3.910 2.413 ( -0.657 0.000 8.104) 8.131 2.430 ( -6.595 0.000 -1.668) 6.802 2.479 ( -4.472 0.000 3.089) 5.435 2.632 ( 4.367 0.000 2.313) 4.942 2.659 ( 3.684 0.000 0.658) 3.742 2.662 ( -0.837 0.000 3.959) 4.046 2.676 ( -3.002 0.000 10.971) 11.375 2.712 ( 3.106 0.000 -15.280) 15.592 2.808 ( -3.110 0.000 1.140) 3.312 2.901 ( -1.248 0.000 -3.936) 4.129 3.018 ( -2.450 0.000 5.424) 5.952 3.107 ( 0.771 0.000 2.886) 2.987 3.129 ( 2.403 0.000 -6.033) 6.494 3.310 ( 0.965 0.000 -11.154) 11.196 3.376 ( -2.005 0.000 -4.457) 4.887 3.402 ( 0.679 0.000 -5.538) 5.579 3.455 ( 1.440 0.000 1.873) 2.363 3.470 ( 1.970 0.000 1.526) 2.493 3.530 ( -6.952 0.000 -6.474) 9.500 3.583 ( -3.667 0.000 0.569) 3.711 3.676 ( 2.263 0.000 -2.771) 3.578 3.781 ( 3.718 0.000 2.602) 4.538 3.825 ( -6.068 0.000 1.972) 6.381 3.879 ( 0.313 0.000 10.691) 10.695 4.005 ( 0.039 0.000 3.415) 3.416 4.119 ( -1.230 0.000 0.057) 1.231 4.129 ( 3.751 0.000 -4.135) 5.583 4.164 ( 2.527 0.000 5.374) 5.939 4.169 ( 3.316 0.000 -0.206) 3.323 4.293 ( -2.337 0.000 -6.562) 6.965 4.328 ( -5.361 0.000 2.347) 5.852 4.521 ( -2.222 0.000 12.898) 13.088 4.684 ( 2.790 0.000 8.682) 9.119 4.691 ( -3.897 0.000 -1.492) 4.173 4.889 ( -1.345 0.000 1.331) 1.893 4.933 ( -1.068 0.000 -0.808) 1.339 5.034 ( 0.347 0.000 0.313) 0.467 5.058 ( 8.121 0.000 -4.689) 9.377 5.073 ( -0.145 0.000 0.036) 0.150 5.183 ( 1.750 0.000 2.762) 3.270 5.268 ( -4.808 0.000 3.269) 5.814 5.294 ( 0.455 0.000 0.438) 0.632 5.347 ( -1.081 0.000 4.967) 5.083 5.396 ( -0.479 0.000 -4.295) 4.322 5.464 ( -6.324 0.000 -5.025) 8.077 5.507 ( -0.292 0.000 -1.452) 1.481 5.557 ( -2.760 0.000 -0.525) 2.809 5.635 ( 3.900 0.000 1.747) 4.273 5.682 ( 0.597 0.000 -1.675) 1.778 5.755 ( 0.202 0.000 -7.281) 7.284 5.847 ( 5.440 0.000 -8.461) 10.059 5.875 ( -4.174 0.000 3.910) 5.719 5.891 ( 0.475 0.000 2.176) 2.227 5.946 ( -0.235 0.000 0.394) 0.459 5.960 ( -3.283 0.000 0.997) 3.431 6.070 ( -0.530 0.000 -0.449) 0.695 6.095 ( -4.162 0.000 -2.167) 4.692 6.320 ( 3.320 0.000 4.277) 5.414 6.364 ( -21.852 0.000 0.848) 21.869 6.422 ( 2.606 0.000 -1.559) 3.036 6.451 ( 1.052 0.000 -0.013) 1.052 6.564 ( -5.244 0.000 2.992) 6.037 6.650 ( 2.064 0.000 -2.618) 3.334 6.803 ( -4.654 0.000 -6.896) 8.320 6.869 ( 2.615 0.000 -5.744) 6.312 6.941 ( -1.783 0.000 2.423) 3.008 7.026 ( -1.412 0.000 2.630) 2.985 7.088 ( 2.070 0.000 -0.840) 2.234 7.114 ( 8.275 0.000 -2.549) 8.659 7.236 ( 9.571 0.000 6.859) 11.775 7.248 ( -15.847 0.000 2.339) 16.018 7.377 ( -0.435 0.000 4.431) 4.453 7.393 ( -2.376 0.000 -0.245) 2.389 7.433 ( 2.597 0.000 1.289) 2.899 7.597 ( 10.386 0.000 -0.839) 10.420 7.650 ( -2.787 0.000 2.648) 3.844 7.705 ( -7.814 0.000 -4.141) 8.843 7.802 ( -0.154 0.000 1.871) 1.878 7.896 ( 0.667 0.000 -2.996) 3.069 7.899 ( 2.157 0.000 -2.381) 3.212 7.934 ( 1.584 0.000 4.205) 4.493 7.939 ( 0.565 0.000 -2.029) 2.106 8.137 ( -3.782 0.000 -2.514) 4.541 8.152 ( 0.513 0.000 -0.058) 0.516 8.200 ( -0.194 0.000 -5.079) 5.082 8.256 ( -4.850 0.000 7.341) 8.798 8.394 ( 3.087 0.000 0.031) 3.087 8.523 ( -5.142 0.000 6.503) 8.290 8.695 ( 9.558 0.000 -4.567) 10.593 8.777 ( -0.243 0.000 4.411) 4.417 8.885 ( -0.522 0.000 3.628) 3.665 9.057 ( 1.454 0.000 1.138) 1.846 9.065 ( -4.459 0.000 -2.896) 5.317 9.325 ( -1.171 0.000 -4.010) 4.178 9.355 ( 6.533 0.000 -2.500) 6.995 9.484 ( 3.890 0.000 -3.439) 5.192 9.554 ( -7.270 0.000 -8.236) 10.985 9.739 ( 1.006 0.000 5.528) 5.619 9.829 ( -3.457 0.000 -0.273) 3.467 10.000 ( 1.285 0.000 8.354) 8.452 10.024 ( -0.608 0.000 -0.822) 1.022 10.081 ( -1.269 0.000 -6.730) 6.849 10.233 ( 1.403 0.000 -3.381) 3.660 10.457 ( -0.969 0.000 11.391) 11.432 10.822 ( -4.219 0.000 -7.488) 8.595 10.826 ( -3.789 0.000 1.619) 4.120 10.934 ( 5.297 0.000 -2.599) 5.900 11.633 ( -1.915 0.000 3.351) 3.859 11.725 ( -0.103 0.000 -1.150) 1.155 11.868 ( -0.948 0.000 -1.305) 1.613 11.899 ( 3.670 0.000 -0.680) 3.732 11.927 ( 0.992 0.000 1.314) 1.646 11.989 ( -10.677 0.000 -0.088) 10.678 12.498 ( 22.005 0.000 3.450) 22.274 12.588 ( -5.307 0.000 -1.178) 5.436 12.879 ( -0.712 0.000 6.201) 6.242 13.237 ( 0.119 0.000 -10.036) 10.037 13.320 ( -0.294 0.000 3.615) 3.627 13.462 ( 0.015 0.000 -0.542) 0.542 13.573 ( 0.841 0.000 2.451) 2.591 13.697 ( 0.199 0.000 -2.330) 2.338 14.314 ( 3.112 0.000 -0.707) 3.191 14.332 ( -7.792 0.000 -2.873) 8.304 14.516 ( 6.273 0.000 5.439) 8.303 14.794 ( -0.034 0.000 -9.111) 9.111 15.003 ( 2.132 0.000 6.465) 6.808 15.200 ( -5.487 0.000 0.169) 5.490 15.421 ( 3.492 0.000 -0.414) 3.516 15.427 ( -4.595 0.000 -0.601) 4.634 15.576 ( 2.786 0.000 2.748) 3.913 15.741 ( -1.018 0.000 -3.523) 3.667 15.783 ( -0.339 0.000 3.849) 3.864 15.999 ( -0.081 0.000 -5.769) 5.769 16.217 ( 2.323 0.000 3.613) 4.296 16.256 ( 1.423 0.000 2.464) 2.845 16.844 ( 24.775 0.000 0.160) 24.775 16.845 ( -4.356 0.000 0.568) 4.393 17.038 ( 0.465 0.000 1.064) 1.161 17.158 ( -2.674 0.000 -3.636) 4.514 17.442 ( 17.076 0.000 2.266) 17.226 17.540 ( -2.250 0.000 -1.962) 2.986 17.734 ( 0.172 0.000 0.030) 0.175 17.737 ( -0.220 0.000 -0.127) 0.254 18.747 ( -17.649 0.000 0.915) 17.673 18.794 ( 2.525 0.000 -1.278) 2.830 19.128 ( -2.086 0.000 2.939) 3.604 19.245 ( 1.751 0.000 -2.207) 2.817 20.678 ( -5.929 0.000 0.555) 5.955 20.700 ( 0.649 0.000 -0.364) 0.744 ======================= Grid point 46 (17/55) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 25.598 0.000 8.286) 26.905 0.860 ( 13.238 0.000 21.876) 25.570 1.117 ( 20.980 0.000 -5.113) 21.594 1.131 ( 6.767 0.000 -19.779) 20.905 1.463 ( 7.606 0.000 4.084) 8.633 1.478 ( 11.678 0.000 19.635) 22.846 1.490 ( 4.823 0.000 6.874) 8.397 1.558 ( -8.024 0.000 -3.139) 8.616 1.707 ( 3.061 0.000 -0.638) 3.127 1.714 ( 8.973 0.000 1.496) 9.097 1.774 ( 1.960 0.000 -3.790) 4.267 1.852 ( -4.750 0.000 2.525) 5.379 1.870 ( -0.667 0.000 -7.792) 7.821 1.877 ( 2.590 0.000 -1.803) 3.155 2.155 ( 5.799 0.000 -9.166) 10.847 2.213 ( 1.918 0.000 -4.955) 5.314 2.216 ( 9.221 0.000 1.671) 9.371 2.260 ( -2.051 0.000 -2.430) 3.180 2.385 ( 1.397 0.000 1.510) 2.057 2.387 ( 4.164 0.000 -0.336) 4.178 2.464 ( 1.411 0.000 3.809) 4.062 2.580 ( 3.873 0.000 -1.542) 4.169 2.631 ( -0.572 0.000 -3.064) 3.117 2.653 ( 6.660 0.000 -13.651) 15.189 2.713 ( 4.163 0.000 -4.813) 6.364 2.745 ( -1.041 0.000 8.699) 8.761 2.750 ( -3.275 0.000 3.602) 4.868 2.837 ( 7.858 0.000 5.121) 9.379 2.877 ( -0.969 0.000 1.709) 1.964 3.042 ( -5.703 0.000 -9.327) 10.932 3.062 ( 0.700 0.000 3.945) 4.006 3.084 ( -1.619 0.000 -1.302) 2.078 3.268 ( -5.349 0.000 -2.353) 5.843 3.296 ( 1.371 0.000 -5.421) 5.592 3.323 ( -7.668 0.000 -4.094) 8.693 3.393 ( -1.478 0.000 0.210) 1.493 3.456 ( -3.967 0.000 1.784) 4.350 3.467 ( -4.484 0.000 -0.803) 4.555 3.523 ( -1.143 0.000 0.643) 1.312 3.717 ( 3.842 0.000 1.121) 4.002 3.757 ( -0.525 0.000 -0.307) 0.608 3.831 ( 0.152 0.000 3.290) 3.293 3.997 ( -0.284 0.000 9.101) 9.105 4.018 ( -3.503 0.000 2.401) 4.247 4.147 ( 5.558 0.000 -1.290) 5.705 4.147 ( 0.061 0.000 -5.353) 5.354 4.194 ( 2.015 0.000 -3.913) 4.401 4.219 ( 4.295 0.000 -0.639) 4.342 4.254 ( 1.079 0.000 1.301) 1.690 4.293 ( -2.550 0.000 1.888) 3.173 4.540 ( -7.375 0.000 -2.287) 7.721 4.551 ( -6.017 0.000 12.838) 14.178 4.766 ( 1.918 0.000 2.225) 2.938 4.878 ( -0.527 0.000 1.385) 1.482 4.898 ( -2.542 0.000 0.351) 2.566 4.972 ( -10.859 0.000 -1.031) 10.908 5.052 ( 0.579 0.000 2.941) 2.997 5.083 ( -2.110 0.000 -2.398) 3.194 5.152 ( -8.202 0.000 1.029) 8.266 5.223 ( 3.124 0.000 -3.280) 4.530 5.300 ( 5.397 0.000 5.969) 8.047 5.317 ( -1.696 0.000 -0.991) 1.965 5.345 ( -3.400 0.000 0.970) 3.535 5.412 ( 0.454 0.000 -0.700) 0.835 5.449 ( -6.205 0.000 -0.556) 6.229 5.488 ( 1.042 0.000 3.114) 3.283 5.646 ( -2.097 0.000 -3.496) 4.077 5.680 ( -1.180 0.000 1.140) 1.641 5.769 ( -6.511 0.000 2.379) 6.932 5.780 ( 6.045 0.000 -2.712) 6.625 5.831 ( -5.184 0.000 5.993) 7.924 5.951 ( 2.760 0.000 -2.641) 3.820 5.973 ( 5.080 0.000 -0.166) 5.082 6.049 ( 2.721 0.000 -0.780) 2.831 6.109 ( 7.005 0.000 -0.845) 7.056 6.155 ( 14.260 0.000 -1.985) 14.398 6.360 ( 6.083 0.000 2.015) 6.408 6.420 ( 3.769 0.000 0.141) 3.771 6.498 ( -1.474 0.000 -1.210) 1.907 6.511 ( 5.111 0.000 1.839) 5.432 6.562 ( 3.700 0.000 2.104) 4.256 6.700 ( 9.877 0.000 3.596) 10.512 6.749 ( 0.678 0.000 -0.780) 1.033 6.811 ( -5.021 0.000 -2.231) 5.494 6.882 ( -5.527 0.000 1.422) 5.707 6.957 ( -5.404 0.000 -0.357) 5.416 7.044 ( -9.150 0.000 -1.896) 9.344 7.077 ( 0.197 0.000 -1.451) 1.465 7.200 ( -1.108 0.000 -3.417) 3.592 7.328 ( -3.837 0.000 1.693) 4.194 7.330 ( -2.349 0.000 2.264) 3.263 7.452 ( -0.879 0.000 2.765) 2.901 7.500 ( 4.932 0.000 8.856) 10.137 7.586 ( 1.519 0.000 -6.582) 6.755 7.671 ( 5.038 0.000 -2.062) 5.444 7.735 ( 1.099 0.000 -1.250) 1.664 7.788 ( -3.577 0.000 -0.862) 3.680 7.926 ( 3.145 0.000 1.531) 3.497 7.932 ( -0.310 0.000 -1.070) 1.114 7.959 ( 6.636 0.000 -4.519) 8.028 7.992 ( -9.726 0.000 -0.482) 9.738 8.076 ( 6.633 0.000 -4.055) 7.774 8.097 ( -0.432 0.000 4.627) 4.647 8.177 ( 2.190 0.000 -3.348) 4.001 8.249 ( -2.219 0.000 4.282) 4.823 8.384 ( -2.238 0.000 0.701) 2.345 8.520 ( 1.682 0.000 -0.092) 1.684 8.783 ( -2.106 0.000 2.995) 3.662 8.857 ( 2.600 0.000 0.995) 2.784 8.888 ( -1.207 0.000 9.324) 9.402 8.957 ( -0.807 0.000 -8.075) 8.115 9.109 ( 2.108 0.000 3.276) 3.896 9.260 ( -1.976 0.000 -4.270) 4.706 9.342 ( -6.867 0.000 -11.510) 13.403 9.455 ( 5.105 0.000 -2.083) 5.513 9.577 ( 5.770 0.000 0.803) 5.825 9.765 ( -2.543 0.000 0.093) 2.545 9.830 ( 3.463 0.000 7.260) 8.043 9.917 ( -7.453 0.000 12.696) 14.722 9.974 ( -4.761 0.000 -8.451) 9.699 10.108 ( 5.080 0.000 0.111) 5.081 10.209 ( -0.711 0.000 -3.078) 3.159 10.488 ( -4.023 0.000 9.266) 10.102 10.639 ( -7.054 0.000 -0.505) 7.072 10.815 ( 1.721 0.000 0.155) 1.728 11.070 ( 9.742 0.000 -2.791) 10.134 11.654 ( -5.177 0.000 5.621) 7.642 11.680 ( -12.721 0.000 -1.045) 12.764 11.783 ( 1.216 0.000 -2.309) 2.610 11.835 ( 4.468 0.000 -5.806) 7.326 11.856 ( -4.715 0.000 -1.915) 5.089 12.111 ( 11.106 0.000 5.758) 12.510 12.609 ( 7.038 0.000 -4.516) 8.362 12.826 ( -1.818 0.000 11.895) 12.033 12.985 ( 14.926 0.000 -9.693) 17.797 13.167 ( 0.374 0.000 -8.580) 8.588 13.349 ( 0.131 0.000 3.426) 3.429 13.458 ( 0.822 0.000 -2.296) 2.438 13.573 ( -3.236 0.000 3.559) 4.810 13.706 ( 3.247 0.000 -4.054) 5.194 14.203 ( -4.474 0.000 0.380) 4.490 14.405 ( 5.531 0.000 1.341) 5.691 14.673 ( 6.901 0.000 2.057) 7.201 14.732 ( 1.517 0.000 -9.031) 9.158 15.047 ( -3.322 0.000 5.726) 6.620 15.059 ( -7.237 0.000 -2.392) 7.622 15.218 ( -11.590 0.000 -1.322) 11.665 15.399 ( -3.624 0.000 2.924) 4.657 15.705 ( 3.114 0.000 4.101) 5.149 15.779 ( 4.901 0.000 -4.184) 6.444 15.831 ( 0.719 0.000 4.757) 4.811 16.009 ( 5.709 0.000 -3.574) 6.736 16.224 ( -2.816 0.000 2.412) 3.708 16.269 ( -0.902 0.000 -1.003) 1.349 16.609 ( -15.287 0.000 -8.225) 17.359 16.708 ( -19.919 0.000 9.640) 22.129 17.049 ( -0.793 0.000 3.523) 3.611 17.137 ( 3.261 0.000 -3.591) 4.851 17.504 ( 1.164 0.000 -3.908) 4.078 17.531 ( -5.012 0.000 3.108) 5.897 17.751 ( 1.117 0.000 0.272) 1.150 17.751 ( 1.583 0.000 -0.326) 1.616 18.795 ( 12.271 0.000 -5.391) 13.403 18.845 ( 1.762 0.000 2.089) 2.733 19.085 ( -3.940 0.000 2.498) 4.665 19.245 ( -0.321 0.000 -1.722) 1.752 20.664 ( 1.597 0.000 1.029) 1.900 20.722 ( 1.186 0.000 0.481) 1.280 ======================= Grid point 47 (18/55) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.814 0.000 -12.700) 12.726 1.154 ( -15.188 0.000 -2.825) 15.449 1.255 ( -7.000 0.000 -9.260) 11.608 1.256 ( 10.752 0.000 13.830) 17.517 1.402 ( 17.873 0.000 4.884) 18.529 1.487 ( 10.357 0.000 0.304) 10.361 1.652 ( 3.793 0.000 -1.921) 4.252 1.689 ( -0.659 0.000 -1.164) 1.338 1.772 ( 0.944 0.000 -12.063) 12.100 1.798 ( -1.708 0.000 17.911) 17.993 1.855 ( 1.385 0.000 -1.525) 2.060 1.933 ( 6.905 0.000 -2.704) 7.416 1.938 ( 8.461 0.000 -5.742) 10.225 2.126 ( -2.540 0.000 -5.080) 5.679 2.220 ( 2.681 0.000 -3.997) 4.813 2.230 ( 20.526 0.000 14.118) 24.912 2.288 ( 4.983 0.000 0.932) 5.070 2.368 ( 4.845 0.000 -1.886) 5.199 2.375 ( 0.004 0.000 0.788) 0.788 2.471 ( 3.173 0.000 1.862) 3.679 2.492 ( -2.392 0.000 1.326) 2.735 2.552 ( -2.940 0.000 -2.175) 3.657 2.620 ( -0.543 0.000 6.523) 6.546 2.704 ( -5.359 0.000 -3.007) 6.145 2.730 ( -4.490 0.000 7.343) 8.607 2.755 ( 2.806 0.000 -4.906) 5.652 2.759 ( -1.395 0.000 3.447) 3.719 2.832 ( 6.240 0.000 -6.015) 8.668 2.946 ( 4.569 0.000 -5.400) 7.073 2.989 ( -6.467 0.000 -4.281) 7.756 3.036 ( -3.329 0.000 4.095) 5.278 3.044 ( 8.015 0.000 5.939) 9.975 3.104 ( -10.779 0.000 -2.905) 11.163 3.244 ( -1.525 0.000 1.700) 2.283 3.278 ( -1.015 0.000 0.344) 1.072 3.312 ( -4.663 0.000 1.345) 4.853 3.326 ( -1.880 0.000 -2.525) 3.148 3.392 ( -2.391 0.000 0.304) 2.410 3.585 ( 3.591 0.000 3.849) 5.264 3.754 ( -0.098 0.000 0.165) 0.192 3.851 ( 4.645 0.000 -2.577) 5.312 3.878 ( 5.995 0.000 3.459) 6.921 3.939 ( -1.715 0.000 -4.555) 4.867 3.944 ( -0.677 0.000 -3.339) 3.407 4.094 ( -12.557 0.000 -0.028) 12.557 4.169 ( -1.532 0.000 -2.370) 2.822 4.193 ( 2.750 0.000 -4.992) 5.700 4.244 ( 1.171 0.000 0.658) 1.343 4.291 ( -5.204 0.000 2.421) 5.739 4.294 ( 5.423 0.000 2.110) 5.819 4.505 ( -3.023 0.000 3.461) 4.596 4.507 ( -0.396 0.000 -1.837) 1.880 4.749 ( -8.089 0.000 5.234) 9.634 4.803 ( -3.004 0.000 2.450) 3.876 4.845 ( 3.878 0.000 0.382) 3.897 4.926 ( 2.473 0.000 -0.354) 2.498 4.998 ( -2.243 0.000 3.684) 4.313 5.088 ( 0.122 0.000 -0.477) 0.492 5.121 ( -0.160 0.000 0.755) 0.772 5.242 ( -6.953 0.000 1.874) 7.201 5.270 ( 5.431 0.000 -2.674) 6.054 5.301 ( 1.400 0.000 -1.938) 2.391 5.360 ( -1.517 0.000 1.715) 2.290 5.372 ( -1.789 0.000 -2.831) 3.349 5.457 ( 1.942 0.000 1.270) 2.320 5.546 ( -3.232 0.000 4.062) 5.191 5.581 ( -0.694 0.000 -0.853) 1.100 5.685 ( -1.297 0.000 -2.535) 2.848 5.702 ( -1.946 0.000 4.867) 5.242 5.769 ( -0.277 0.000 3.147) 3.159 5.855 ( 1.757 0.000 0.161) 1.764 5.956 ( 1.199 0.000 -2.035) 2.362 6.046 ( 1.635 0.000 4.148) 4.459 6.120 ( 2.232 0.000 2.085) 3.054 6.271 ( 7.095 0.000 1.815) 7.323 6.392 ( 10.290 0.000 -1.267) 10.367 6.438 ( -1.362 0.000 -1.620) 2.117 6.486 ( 4.598 0.000 -3.791) 5.959 6.511 ( 8.359 0.000 -0.415) 8.369 6.594 ( 1.819 0.000 -1.019) 2.085 6.647 ( 4.709 0.000 0.354) 4.722 6.703 ( -11.106 0.000 -0.529) 11.119 6.709 ( -4.080 0.000 -0.286) 4.090 6.756 ( -0.420 0.000 1.215) 1.285 6.830 ( -5.583 0.000 2.114) 5.970 6.846 ( -6.505 0.000 -3.723) 7.494 7.021 ( -5.939 0.000 3.908) 7.109 7.050 ( 13.708 0.000 0.449) 13.716 7.173 ( 1.789 0.000 -3.007) 3.499 7.241 ( -4.269 0.000 -1.095) 4.407 7.321 ( -0.920 0.000 2.835) 2.980 7.429 ( -7.180 0.000 5.918) 9.305 7.504 ( -4.834 0.000 -7.272) 8.732 7.633 ( 6.954 0.000 -7.306) 10.086 7.635 ( -3.176 0.000 2.329) 3.939 7.708 ( -1.033 0.000 -0.486) 1.142 7.806 ( 3.395 0.000 4.685) 5.786 7.890 ( -1.207 0.000 2.363) 2.653 7.905 ( 0.032 0.000 -3.808) 3.808 8.009 ( 2.409 0.000 4.961) 5.515 8.016 ( -0.683 0.000 3.299) 3.369 8.110 ( 2.888 0.000 0.274) 2.901 8.202 ( -2.935 0.000 3.863) 4.851 8.230 ( 3.425 0.000 -0.658) 3.488 8.274 ( 10.666 0.000 -6.212) 12.343 8.383 ( 0.134 0.000 2.887) 2.890 8.517 ( -0.435 0.000 -3.978) 4.001 8.737 ( -3.196 0.000 -0.648) 3.261 8.802 ( -3.495 0.000 -3.684) 5.078 8.855 ( -5.303 0.000 9.375) 10.771 9.038 ( 4.384 0.000 3.511) 5.617 9.108 ( -3.131 0.000 -1.668) 3.548 9.152 ( -2.554 0.000 -15.855) 16.060 9.266 ( 3.660 0.000 1.539) 3.970 9.503 ( 1.234 0.000 -3.135) 3.369 9.680 ( 2.614 0.000 3.282) 4.196 9.731 ( -1.320 0.000 1.096) 1.716 9.776 ( -6.882 0.000 -9.884) 12.044 9.916 ( -3.548 0.000 12.967) 13.444 9.972 ( 5.336 0.000 4.634) 7.068 10.185 ( 3.899 0.000 -3.483) 5.228 10.206 ( 2.310 0.000 -0.333) 2.334 10.418 ( -6.841 0.000 2.196) 7.185 10.540 ( -3.695 0.000 -0.129) 3.698 10.875 ( 2.773 0.000 3.052) 4.124 11.201 ( 5.530 0.000 -6.200) 8.308 11.467 ( -4.359 0.000 -1.491) 4.607 11.530 ( -8.867 0.000 2.550) 9.227 11.763 ( -0.834 0.000 1.944) 2.116 11.817 ( 1.098 0.000 -0.365) 1.157 11.967 ( 9.115 0.000 -5.496) 10.643 12.263 ( -0.882 0.000 -1.799) 2.004 12.754 ( 8.533 0.000 2.924) 9.020 12.802 ( -6.774 0.000 11.002) 12.920 13.176 ( 8.672 0.000 -1.995) 8.898 13.177 ( 5.590 0.000 -3.932) 6.834 13.359 ( -1.276 0.000 2.775) 3.055 13.462 ( 1.352 0.000 -2.648) 2.973 13.505 ( -5.995 0.000 3.918) 7.162 13.742 ( 3.548 0.000 -6.437) 7.350 14.166 ( -1.078 0.000 4.240) 4.375 14.483 ( 1.508 0.000 -4.073) 4.343 14.771 ( 6.532 0.000 -1.914) 6.806 14.815 ( 6.924 0.000 0.477) 6.940 14.934 ( -2.423 0.000 -1.966) 3.120 14.959 ( -6.236 0.000 0.920) 6.303 15.028 ( -4.425 0.000 -5.068) 6.728 15.314 ( -8.791 0.000 -2.302) 9.088 15.678 ( -11.752 0.000 13.296) 17.745 15.828 ( 3.800 0.000 -0.988) 3.926 15.876 ( 0.958 0.000 3.518) 3.646 16.169 ( 10.974 0.000 -4.358) 11.807 16.175 ( -2.154 0.000 -1.230) 2.480 16.222 ( -0.913 0.000 -4.825) 4.910 16.294 ( -7.486 0.000 -6.751) 10.081 16.463 ( -10.766 0.000 3.594) 11.350 17.066 ( -0.788 0.000 4.964) 5.026 17.187 ( 2.991 0.000 -1.463) 3.330 17.461 ( -3.833 0.000 2.005) 4.326 17.518 ( 2.371 0.000 -2.987) 3.814 17.770 ( 0.424 0.000 0.285) 0.511 17.779 ( 1.204 0.000 -0.423) 1.276 18.870 ( -1.623 0.000 3.529) 3.884 18.962 ( 8.896 0.000 -5.270) 10.340 19.041 ( -1.731 0.000 2.957) 3.427 19.215 ( -1.235 0.000 -1.920) 2.283 20.705 ( 1.627 0.000 0.839) 1.831 20.738 ( 0.038 0.000 0.426) 0.427 ======================= Grid point 48 (19/55) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -19.872 0.000 -2.399) 20.016 0.783 ( -17.679 0.000 8.120) 19.455 1.291 ( 12.567 0.000 -10.199) 16.185 1.462 ( -7.371 0.000 -0.466) 7.386 1.588 ( 8.096 0.000 10.920) 13.594 1.610 ( -8.620 0.000 -4.243) 9.607 1.618 ( -2.269 0.000 1.054) 2.501 1.708 ( 5.316 0.000 -4.767) 7.140 1.731 ( 5.847 0.000 -13.921) 15.099 1.772 ( -13.843 0.000 1.204) 13.895 1.858 ( -11.014 0.000 -4.403) 11.861 1.882 ( -15.471 0.000 -6.929) 16.952 1.963 ( 2.837 0.000 17.545) 17.773 2.009 ( 4.458 0.000 1.039) 4.577 2.103 ( -10.696 0.000 0.575) 10.712 2.306 ( 2.945 0.000 0.336) 2.964 2.331 ( -7.382 0.000 -1.533) 7.540 2.354 ( -2.356 0.000 -2.307) 3.298 2.382 ( -7.322 0.000 2.424) 7.713 2.507 ( -2.483 0.000 0.582) 2.551 2.539 ( 1.214 0.000 1.800) 2.172 2.581 ( -1.028 0.000 7.608) 7.677 2.593 ( 4.813 0.000 -0.958) 4.908 2.639 ( -2.443 0.000 0.861) 2.590 2.702 ( -1.379 0.000 3.180) 3.466 2.750 ( -0.676 0.000 -3.641) 3.703 2.805 ( -7.085 0.000 -3.990) 8.131 2.884 ( 10.791 0.000 7.155) 12.947 2.899 ( 0.691 0.000 -4.321) 4.376 2.966 ( -0.997 0.000 -1.480) 1.784 3.039 ( 2.299 0.000 2.568) 3.447 3.181 ( 12.454 0.000 4.345) 13.190 3.236 ( 4.909 0.000 1.106) 5.032 3.259 ( 3.675 0.000 -2.654) 4.533 3.277 ( 6.497 0.000 1.458) 6.659 3.314 ( 1.105 0.000 -6.899) 6.987 3.348 ( 4.196 0.000 2.967) 5.139 3.401 ( 6.589 0.000 -5.533) 8.604 3.657 ( 2.122 0.000 0.505) 2.181 3.804 ( -2.918 0.000 -5.976) 6.651 3.808 ( 1.445 0.000 11.632) 11.722 3.851 ( -6.767 0.000 0.920) 6.829 3.898 ( -0.732 0.000 -7.538) 7.573 3.983 ( 2.124 0.000 -1.093) 2.388 4.044 ( -3.530 0.000 -2.712) 4.452 4.098 ( 5.607 0.000 -2.730) 6.236 4.199 ( -1.450 0.000 -1.263) 1.923 4.260 ( 8.185 0.000 0.286) 8.189 4.266 ( -1.586 0.000 4.107) 4.403 4.327 ( -6.334 0.000 -1.554) 6.522 4.412 ( 0.937 0.000 1.792) 2.022 4.420 ( -4.943 0.000 -0.743) 4.999 4.800 ( -3.769 0.000 4.848) 6.141 4.805 ( 6.213 0.000 5.018) 7.986 4.907 ( 0.432 0.000 0.655) 0.785 4.970 ( 1.888 0.000 -0.763) 2.037 5.052 ( 5.420 0.000 2.241) 5.865 5.086 ( -0.448 0.000 -1.244) 1.322 5.154 ( 3.504 0.000 -2.143) 4.107 5.190 ( -0.338 0.000 5.693) 5.703 5.251 ( -3.287 0.000 2.068) 3.883 5.294 ( -3.416 0.000 -3.744) 5.068 5.329 ( -3.346 0.000 -0.852) 3.453 5.392 ( 3.497 0.000 -3.999) 5.312 5.424 ( -0.296 0.000 3.083) 3.097 5.508 ( 1.299 0.000 4.682) 4.859 5.592 ( -1.692 0.000 -4.098) 4.433 5.601 ( 0.589 0.000 2.032) 2.116 5.781 ( 4.197 0.000 3.937) 5.754 5.827 ( -3.376 0.000 5.385) 6.356 5.856 ( 2.515 0.000 -1.833) 3.112 5.966 ( 0.362 0.000 -1.528) 1.570 6.082 ( -2.604 0.000 5.838) 6.393 6.152 ( -0.448 0.000 3.189) 3.221 6.342 ( -1.653 0.000 4.453) 4.750 6.357 ( -10.746 0.000 -4.712) 11.734 6.417 ( -1.322 0.000 -1.637) 2.105 6.483 ( -9.928 0.000 -2.229) 10.175 6.495 ( -5.936 0.000 -3.748) 7.020 6.598 ( -0.152 0.000 -1.596) 1.603 6.650 ( 8.505 0.000 -0.020) 8.505 6.679 ( 4.078 0.000 1.816) 4.464 6.698 ( -5.094 0.000 -4.114) 6.548 6.760 ( 2.129 0.000 1.852) 2.822 6.796 ( 2.752 0.000 2.387) 3.643 6.853 ( 8.878 0.000 -1.996) 9.100 7.016 ( 4.257 0.000 4.860) 6.460 7.143 ( -3.429 0.000 0.097) 3.431 7.178 ( 0.973 0.000 -4.318) 4.427 7.190 ( -1.024 0.000 -3.707) 3.846 7.292 ( -2.880 0.000 2.920) 4.102 7.342 ( 0.797 0.000 3.497) 3.587 7.405 ( -1.693 0.000 -3.119) 3.549 7.664 ( 0.328 0.000 -1.095) 1.143 7.681 ( -0.620 0.000 4.339) 4.383 7.772 ( 7.505 0.000 -4.592) 8.798 7.873 ( 2.617 0.000 -1.209) 2.883 7.895 ( 0.617 0.000 -0.420) 0.746 7.932 ( 3.290 0.000 4.727) 5.759 8.004 ( -2.802 0.000 -0.043) 2.802 8.038 ( -3.006 0.000 5.477) 6.248 8.076 ( -2.098 0.000 -1.064) 2.352 8.245 ( 0.500 0.000 6.725) 6.744 8.253 ( 0.201 0.000 -3.538) 3.544 8.401 ( 7.066 0.000 -9.717) 12.015 8.421 ( 0.399 0.000 3.380) 3.403 8.476 ( -1.191 0.000 1.223) 1.707 8.690 ( 0.051 0.000 -0.693) 0.695 8.744 ( 0.993 0.000 -2.086) 2.310 8.861 ( -0.900 0.000 8.200) 8.250 9.009 ( -1.363 0.000 -11.396) 11.477 9.045 ( -1.123 0.000 -2.187) 2.459 9.142 ( 3.954 0.000 3.665) 5.392 9.339 ( 2.080 0.000 1.444) 2.532 9.446 ( -4.556 0.000 -2.287) 5.097 9.600 ( -3.401 0.000 -10.963) 11.479 9.716 ( -1.076 0.000 3.576) 3.734 9.743 ( 1.413 0.000 1.432) 2.011 9.913 ( -5.174 0.000 9.451) 10.774 10.088 ( 4.724 0.000 -0.021) 4.724 10.177 ( -4.413 0.000 -1.346) 4.614 10.266 ( 0.223 0.000 -2.674) 2.683 10.311 ( -2.673 0.000 6.503) 7.031 10.510 ( 2.720 0.000 -1.593) 3.152 10.935 ( -0.487 0.000 5.623) 5.644 11.153 ( -4.664 0.000 -8.860) 10.013 11.445 ( 0.924 0.000 -0.415) 1.013 11.517 ( 8.555 0.000 1.396) 8.668 11.810 ( -1.068 0.000 -0.856) 1.369 11.813 ( 2.422 0.000 1.873) 3.061 12.091 ( 4.977 0.000 1.119) 5.101 12.098 ( -9.358 0.000 -7.821) 12.195 12.754 ( -4.617 0.000 8.122) 9.343 12.879 ( -1.036 0.000 5.741) 5.833 13.277 ( 5.256 0.000 -4.001) 6.606 13.281 ( 2.982 0.000 -3.218) 4.387 13.344 ( -2.072 0.000 2.430) 3.194 13.437 ( -3.179 0.000 5.859) 6.666 13.475 ( 1.954 0.000 -2.260) 2.988 13.734 ( 0.877 0.000 -8.275) 8.321 14.217 ( 2.305 0.000 6.363) 6.768 14.407 ( -3.689 0.000 -6.544) 7.513 14.814 ( -3.242 0.000 4.034) 5.175 14.841 ( -8.211 0.000 1.396) 8.329 14.900 ( -1.718 0.000 -2.502) 3.035 14.979 ( 7.582 0.000 -3.317) 8.276 15.104 ( 15.907 0.000 -3.358) 16.257 15.133 ( 3.546 0.000 -8.965) 9.641 15.517 ( -13.950 0.000 15.751) 21.041 15.867 ( -5.245 0.000 2.115) 5.656 15.911 ( 2.223 0.000 1.209) 2.530 16.082 ( -4.256 0.000 -4.275) 6.032 16.143 ( 0.454 0.000 -1.670) 1.731 16.204 ( 1.329 0.000 -5.697) 5.850 16.298 ( -8.060 0.000 -1.935) 8.289 16.467 ( 15.124 0.000 1.464) 15.194 17.074 ( -1.982 0.000 4.386) 4.813 17.213 ( 0.583 0.000 -1.401) 1.518 17.411 ( -2.539 0.000 0.945) 2.710 17.547 ( 2.217 0.000 -1.581) 2.723 17.767 ( -0.877 0.000 0.139) 0.888 17.783 ( -0.523 0.000 -0.286) 0.596 18.835 ( -3.255 0.000 1.343) 3.521 19.062 ( 4.443 0.000 -3.681) 5.770 19.067 ( 1.217 0.000 4.106) 4.283 19.187 ( 0.759 0.000 -2.913) 3.010 20.729 ( -0.917 0.000 -0.216) 0.942 20.736 ( 0.921 0.000 1.482) 1.745 ======================= Grid point 49 (20/55) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -15.258 0.000 11.871) 19.332 0.630 ( -12.673 0.000 32.258) 34.658 1.060 ( -41.312 0.000 10.042) 42.515 1.194 ( -19.031 0.000 -9.904) 21.454 1.289 ( -12.580 0.000 3.226) 12.987 1.499 ( -3.318 0.000 -6.050) 6.900 1.536 ( 9.223 0.000 -1.497) 9.343 1.617 ( -8.849 0.000 0.419) 8.859 1.705 ( -4.176 0.000 -7.442) 8.534 1.780 ( 10.238 0.000 -10.430) 14.615 1.799 ( 3.718 0.000 4.056) 5.502 1.820 ( 4.486 0.000 -5.031) 6.741 1.923 ( -8.975 0.000 -0.145) 8.976 2.089 ( 4.035 0.000 -5.780) 7.049 2.130 ( -8.352 0.000 -2.446) 8.703 2.187 ( 4.637 0.000 11.246) 12.164 2.247 ( -3.657 0.000 -3.279) 4.912 2.270 ( -6.871 0.000 1.999) 7.156 2.348 ( 0.848 0.000 1.766) 1.959 2.434 ( -5.441 0.000 2.486) 5.982 2.536 ( -1.853 0.000 2.182) 2.863 2.577 ( -1.137 0.000 3.128) 3.329 2.601 ( -4.863 0.000 -4.359) 6.531 2.648 ( 0.100 0.000 1.204) 1.208 2.678 ( -1.206 0.000 -5.105) 5.245 2.728 ( -2.004 0.000 5.351) 5.714 2.766 ( -0.505 0.000 -2.780) 2.826 2.865 ( -4.238 0.000 0.553) 4.274 2.901 ( 5.502 0.000 -2.529) 6.055 3.034 ( -1.114 0.000 0.685) 1.308 3.081 ( 3.189 0.000 -6.286) 7.049 3.188 ( -0.642 0.000 -11.180) 11.198 3.332 ( 5.039 0.000 0.982) 5.134 3.332 ( 3.002 0.000 -3.051) 4.280 3.380 ( 6.424 0.000 -3.152) 7.156 3.428 ( 3.342 0.000 0.962) 3.478 3.446 ( 2.490 0.000 -9.414) 9.738 3.551 ( 10.341 0.000 1.344) 10.428 3.660 ( -4.660 0.000 1.404) 4.867 3.699 ( -2.757 0.000 -5.453) 6.110 3.752 ( -3.654 0.000 -1.710) 4.034 3.776 ( -0.307 0.000 6.226) 6.234 3.989 ( -4.037 0.000 -3.743) 5.505 4.028 ( -0.616 0.000 4.307) 4.351 4.035 ( 5.068 0.000 10.110) 11.309 4.083 ( 0.619 0.000 -6.607) 6.635 4.160 ( -1.785 0.000 -1.557) 2.369 4.168 ( -3.983 0.000 0.114) 3.985 4.268 ( 0.939 0.000 8.186) 8.239 4.370 ( 0.782 0.000 -0.639) 1.010 4.462 ( 7.855 0.000 -0.285) 7.861 4.633 ( 11.568 0.000 4.562) 12.435 4.682 ( -10.344 0.000 7.654) 12.867 4.918 ( 2.004 0.000 -4.763) 5.167 4.927 ( 1.106 0.000 0.528) 1.225 4.951 ( 1.887 0.000 -3.964) 4.390 5.030 ( -2.547 0.000 -1.495) 2.953 5.114 ( -1.631 0.000 -0.758) 1.798 5.185 ( -1.906 0.000 -0.334) 1.935 5.234 ( 4.441 0.000 -0.797) 4.512 5.240 ( -0.809 0.000 6.448) 6.499 5.275 ( 3.313 0.000 0.467) 3.346 5.341 ( 9.165 0.000 0.639) 9.187 5.452 ( 5.448 0.000 -1.116) 5.561 5.510 ( -2.867 0.000 -1.585) 3.276 5.531 ( 3.385 0.000 5.231) 6.231 5.651 ( 4.217 0.000 0.557) 4.254 5.665 ( 5.297 0.000 -0.657) 5.338 5.761 ( -1.815 0.000 1.206) 2.179 5.811 ( -3.584 0.000 0.045) 3.585 5.892 ( -0.541 0.000 3.060) 3.107 5.920 ( -2.933 0.000 -2.453) 3.823 6.027 ( -4.758 0.000 3.160) 5.712 6.105 ( -8.944 0.000 -6.385) 10.989 6.164 ( -12.107 0.000 -2.637) 12.391 6.164 ( -1.335 0.000 2.027) 2.427 6.333 ( -6.906 0.000 -0.855) 6.958 6.407 ( 0.671 0.000 -1.639) 1.771 6.494 ( 6.451 0.000 10.350) 12.196 6.504 ( -6.170 0.000 1.041) 6.257 6.626 ( 2.271 0.000 -5.128) 5.608 6.640 ( -5.938 0.000 5.374) 8.008 6.859 ( 5.541 0.000 1.814) 5.830 6.890 ( 6.295 0.000 2.037) 6.616 6.897 ( 8.888 0.000 0.367) 8.896 6.965 ( 2.355 0.000 -3.280) 4.038 7.026 ( -6.980 0.000 -4.954) 8.559 7.132 ( -2.606 0.000 5.393) 5.990 7.134 ( 0.521 0.000 -9.578) 9.592 7.247 ( 12.387 0.000 5.738) 13.652 7.348 ( 4.794 0.000 0.314) 4.804 7.373 ( -1.006 0.000 0.915) 1.360 7.390 ( 1.591 0.000 1.305) 2.058 7.637 ( -3.012 0.000 -3.432) 4.566 7.663 ( -2.290 0.000 4.638) 5.172 7.864 ( 3.909 0.000 -3.694) 5.378 7.879 ( -5.556 0.000 -0.341) 5.567 7.901 ( -0.389 0.000 -1.733) 1.776 7.901 ( -4.479 0.000 1.665) 4.778 7.926 ( 1.330 0.000 -4.859) 5.038 8.075 ( 0.240 0.000 3.197) 3.206 8.144 ( 5.563 0.000 4.878) 7.399 8.212 ( -0.022 0.000 -6.400) 6.400 8.238 ( -6.277 0.000 -6.208) 8.828 8.347 ( -6.164 0.000 -13.700) 15.022 8.382 ( -1.371 0.000 -3.844) 4.081 8.524 ( -0.983 0.000 10.023) 10.071 8.689 ( -3.966 0.000 -16.331) 16.805 8.732 ( 1.764 0.000 4.287) 4.636 8.837 ( 4.376 0.000 -2.837) 5.215 9.034 ( 0.699 0.000 -0.640) 0.948 9.112 ( 2.782 0.000 7.546) 8.042 9.263 ( 4.710 0.000 -0.382) 4.726 9.358 ( 0.252 0.000 -2.468) 2.481 9.467 ( 12.519 0.000 27.221) 29.962 9.493 ( -0.699 0.000 -7.608) 7.640 9.713 ( -1.405 0.000 4.144) 4.376 9.753 ( -1.367 0.000 -1.036) 1.715 9.894 ( -1.220 0.000 8.065) 8.157 10.027 ( -8.159 0.000 0.805) 8.198 10.132 ( 0.704 0.000 -4.852) 4.903 10.215 ( 1.858 0.000 -4.851) 5.195 10.384 ( 0.079 0.000 11.356) 11.356 10.638 ( 10.294 0.000 3.176) 10.773 10.910 ( -5.622 0.000 4.408) 7.145 10.976 ( -5.909 0.000 -7.204) 9.318 11.545 ( 8.593 0.000 1.432) 8.712 11.724 ( 5.892 0.000 2.191) 6.286 11.804 ( 4.618 0.000 -1.260) 4.787 11.832 ( -0.078 0.000 -3.064) 3.065 11.902 ( -3.822 0.000 -5.381) 6.600 12.151 ( -1.758 0.000 6.166) 6.411 12.723 ( -5.276 0.000 -3.016) 6.077 12.779 ( -11.791 0.000 4.307) 12.553 13.077 ( -18.706 0.000 -25.906) 31.954 13.287 ( 1.902 0.000 -9.656) 9.842 13.321 ( -1.913 0.000 2.688) 3.299 13.455 ( -0.259 0.000 3.714) 3.723 13.520 ( 2.991 0.000 0.879) 3.117 13.700 ( 1.049 0.000 -2.869) 3.055 14.312 ( -1.510 0.000 -3.868) 4.152 14.336 ( 5.145 0.000 6.200) 8.056 14.580 ( -12.641 0.000 -4.008) 13.261 14.804 ( 1.781 0.000 -0.800) 1.952 14.916 ( 2.964 0.000 2.034) 3.595 15.153 ( 10.841 0.000 -0.866) 10.875 15.275 ( 10.856 0.000 -3.173) 11.310 15.384 ( -4.029 0.000 8.141) 9.083 15.531 ( 20.079 0.000 22.940) 30.486 15.711 ( -10.330 0.000 0.036) 10.330 15.850 ( -6.122 0.000 -2.053) 6.457 16.041 ( 0.200 0.000 -3.658) 3.663 16.069 ( -7.230 0.000 4.380) 8.453 16.209 ( 1.553 0.000 0.375) 1.598 16.238 ( 4.103 0.000 4.808) 6.321 16.749 ( 11.466 0.000 1.795) 11.605 17.050 ( -2.426 0.000 1.849) 3.050 17.193 ( -0.841 0.000 -2.378) 2.522 17.372 ( -2.416 0.000 1.195) 2.696 17.570 ( 0.325 0.000 -0.166) 0.365 17.745 ( -1.132 0.000 -0.006) 1.132 17.759 ( -1.594 0.000 -0.069) 1.595 18.788 ( -0.917 0.000 -1.510) 1.767 19.057 ( -2.221 0.000 -8.147) 8.444 19.117 ( 0.609 0.000 3.822) 3.871 19.212 ( 3.306 0.000 -3.084) 4.521 20.707 ( -0.836 0.000 -0.657) 1.063 20.762 ( 0.529 0.000 -0.278) 0.598 ======================= Grid point 50 (21/55) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -6.378 15.027 10.860) 19.607 0.755 ( -2.729 18.289 20.056) 27.279 0.937 ( 1.941 7.132 -9.959) 12.402 1.204 ( 2.989 7.209 7.244) 10.648 1.344 ( 1.203 10.895 0.339) 10.967 1.447 ( -1.318 21.316 11.519) 24.265 1.532 ( -0.892 2.531 -0.110) 2.686 1.560 ( -1.016 6.451 -0.123) 6.532 1.668 ( -1.258 -2.933 -4.262) 5.324 1.774 ( -1.387 1.461 -0.447) 2.064 1.825 ( 1.878 4.888 -0.604) 5.271 1.939 ( 3.618 6.129 -0.299) 7.124 1.986 ( -0.477 5.983 -2.106) 6.361 2.068 ( -3.943 6.776 -3.176) 8.459 2.144 ( 4.990 3.899 -9.827) 11.691 2.179 ( -1.268 6.687 1.658) 7.005 2.254 ( 0.554 3.861 -0.744) 3.970 2.308 ( 0.319 0.996 -0.710) 1.264 2.321 ( 1.868 -2.464 -0.052) 3.092 2.386 ( -1.170 -0.325 4.869) 5.018 2.436 ( -3.989 0.199 0.129) 3.996 2.493 ( -2.074 1.149 2.343) 3.333 2.577 ( 0.495 -1.550 0.125) 1.632 2.622 ( -3.577 -4.105 0.543) 5.472 2.666 ( 1.119 1.285 1.665) 2.383 2.669 ( 4.637 -1.534 1.398) 5.081 2.767 ( -2.371 -2.472 0.407) 3.449 2.802 ( 0.529 2.579 -4.413) 5.138 2.866 ( 0.744 -2.321 -2.834) 3.738 2.988 ( 0.736 -1.414 6.131) 6.335 3.035 ( 2.006 -6.875 -0.249) 7.166 3.096 ( 0.212 -1.011 -4.780) 4.890 3.214 ( -1.259 -8.963 -9.273) 12.958 3.298 ( -2.746 -9.349 3.431) 10.330 3.334 ( 0.373 -2.556 1.248) 2.869 3.441 ( -0.920 -2.646 -8.133) 8.602 3.469 ( -5.670 -4.449 -5.258) 8.922 3.529 ( 2.838 0.410 -4.943) 5.715 3.592 ( -4.527 -0.598 2.674) 5.292 3.658 ( 1.497 -2.265 -0.996) 2.892 3.774 ( 2.765 -0.702 0.408) 2.882 3.794 ( 0.714 -3.723 3.915) 5.450 3.831 ( 0.692 -3.420 2.956) 4.573 3.963 ( 0.249 -5.001 1.023) 5.111 4.028 ( -0.471 -5.483 0.317) 5.512 4.078 ( -0.079 -1.980 -1.031) 2.233 4.154 ( 2.118 -1.424 -2.563) 3.617 4.225 ( -2.088 -0.409 0.599) 2.210 4.254 ( 1.277 2.898 3.271) 4.553 4.413 ( -6.059 3.761 -3.362) 7.884 4.512 ( 2.466 0.636 10.873) 11.167 4.664 ( 1.723 -2.428 6.192) 6.871 4.718 ( -4.378 1.037 2.119) 4.973 4.842 ( -2.908 -4.619 -0.208) 5.462 4.902 ( 0.971 -0.684 1.949) 2.283 5.050 ( 5.253 1.663 0.442) 5.528 5.089 ( 2.821 -1.562 1.326) 3.487 5.133 ( -0.864 2.813 -1.297) 3.216 5.179 ( -1.711 0.413 4.553) 4.881 5.241 ( -0.704 1.149 0.543) 1.453 5.285 ( -0.967 -0.843 0.600) 1.416 5.347 ( 0.642 0.336 3.989) 4.054 5.428 ( -5.103 0.361 -6.017) 7.898 5.449 ( 1.414 0.515 -0.912) 1.760 5.502 ( -1.526 2.109 1.206) 2.869 5.537 ( -1.833 -3.663 -1.391) 4.326 5.616 ( 4.124 0.622 1.918) 4.591 5.686 ( -2.047 2.063 1.682) 3.358 5.775 ( -3.805 2.609 -4.992) 6.797 5.797 ( 0.011 0.277 2.037) 2.056 5.872 ( 2.833 0.769 -6.604) 7.227 5.905 ( -0.810 -1.116 1.405) 1.969 5.975 ( 1.560 2.299 3.797) 4.705 5.994 ( 2.483 0.271 -1.757) 3.053 6.036 ( -2.482 0.024 -0.398) 2.514 6.086 ( -3.770 2.611 -1.361) 4.784 6.252 ( -0.224 -1.833 2.987) 3.512 6.270 ( 0.618 -1.615 2.432) 2.984 6.469 ( 0.873 2.499 -0.456) 2.686 6.507 ( -3.379 -0.923 -0.312) 3.517 6.616 ( -1.128 5.770 -0.421) 5.894 6.623 ( 2.928 -3.839 -1.475) 5.048 6.804 ( -5.369 -0.000 -3.020) 6.160 6.877 ( 2.725 -1.109 -0.902) 3.077 6.992 ( 1.762 5.646 0.088) 5.915 7.053 ( -0.621 3.445 0.679) 3.565 7.100 ( 2.728 3.407 1.162) 4.516 7.136 ( 1.720 4.979 -1.332) 5.434 7.285 ( -2.957 5.875 4.179) 7.792 7.357 ( 0.937 1.730 -0.425) 2.013 7.386 ( 2.355 1.850 1.884) 3.538 7.440 ( -1.803 3.893 -0.504) 4.320 7.499 ( 5.584 2.813 3.376) 7.106 7.577 ( 2.498 -0.226 -0.847) 2.647 7.698 ( -6.601 0.880 1.488) 6.824 7.720 ( -7.969 -0.850 0.587) 8.036 7.806 ( 4.749 -0.132 0.804) 4.819 7.876 ( 1.096 2.013 -6.623) 7.008 7.938 ( 1.660 0.935 -0.859) 2.090 7.953 ( 0.846 4.119 0.072) 4.206 8.058 ( 0.242 3.527 2.337) 4.238 8.122 ( -3.301 7.274 -8.239) 11.476 8.155 ( -3.171 1.875 1.167) 3.864 8.307 ( 0.944 6.522 -2.957) 7.223 8.348 ( -3.016 3.932 1.130) 5.083 8.536 ( 4.254 4.824 0.026) 6.431 8.538 ( 0.749 4.351 4.399) 6.232 8.707 ( -0.560 2.778 -1.317) 3.125 8.797 ( 1.041 0.539 1.837) 2.179 8.875 ( 0.743 1.535 1.670) 2.386 9.023 ( 1.202 -0.160 1.937) 2.286 9.118 ( -6.586 4.158 -8.718) 11.691 9.242 ( -0.996 -5.075 -2.752) 5.859 9.410 ( 3.262 3.669 -8.459) 9.781 9.524 ( 5.635 8.358 5.544) 11.504 9.665 ( -6.485 5.943 -2.269) 9.084 9.764 ( 2.493 1.206 5.337) 6.012 9.854 ( -1.529 1.575 1.753) 2.809 9.941 ( -1.051 -0.053 3.788) 3.932 10.080 ( -1.681 5.683 -4.421) 7.394 10.153 ( 1.627 1.985 -3.074) 4.004 10.201 ( 0.495 -1.317 -3.158) 3.457 10.535 ( -0.948 8.014 9.933) 12.798 10.675 ( -5.485 -5.121 9.187) 11.862 10.904 ( 2.128 5.341 -4.744) 7.454 10.990 ( 3.633 4.825 -4.807) 7.719 11.588 ( 2.391 0.032 5.577) 6.068 11.787 ( -2.187 0.474 -5.635) 6.063 11.819 ( -0.756 -3.258 -0.672) 3.411 11.870 ( 3.141 -3.735 -2.638) 5.548 11.947 ( 0.671 1.782 1.358) 2.339 12.010 ( -7.146 1.306 -0.123) 7.265 12.462 ( 7.805 -0.839 5.758) 9.735 12.695 ( -0.142 3.115 -4.872) 5.784 12.791 ( -1.361 -7.274 4.279) 8.548 13.137 ( -0.487 -7.584 -8.079) 11.092 13.405 ( -0.636 5.804 1.711) 6.084 13.482 ( 0.213 1.505 2.392) 2.834 13.575 ( 1.672 1.235 -0.655) 2.180 13.669 ( -0.099 -2.583 -2.592) 3.660 14.358 ( 3.982 3.485 -1.199) 5.426 14.427 ( -6.811 3.030 -4.645) 8.784 14.605 ( 4.966 5.862 -2.255) 8.007 14.705 ( -3.264 -3.063 -5.979) 7.469 14.999 ( 2.339 -0.500 6.324) 6.762 15.200 ( -2.165 0.167 -2.169) 3.069 15.413 ( 1.917 1.164 1.856) 2.911 15.545 ( -2.768 6.915 -3.930) 8.422 15.651 ( 1.267 5.039 3.986) 6.549 15.692 ( 1.958 0.905 0.759) 2.287 15.902 ( -6.741 6.812 -0.162) 9.586 15.988 ( 0.298 -1.303 -3.446) 3.697 16.240 ( -0.210 0.875 7.134) 7.191 16.270 ( 2.987 2.165 2.220) 4.306 16.568 ( 13.440 -20.282 23.235) 33.643 16.863 ( -2.197 -3.085 2.046) 4.304 16.920 ( -2.958 6.967 -0.143) 7.571 17.056 ( 0.379 -18.859 -4.556) 19.406 17.129 ( -0.364 7.058 -0.024) 7.068 17.206 ( -0.930 -4.485 -2.756) 5.346 18.174 ( -2.731 24.272 2.113) 24.516 18.451 ( 16.933 19.631 -15.015) 29.959 18.687 ( -13.652 -4.891 -0.470) 14.509 18.726 ( 1.757 -6.945 -1.298) 7.280 19.119 ( -1.784 -0.670 2.116) 2.847 19.238 ( 1.521 0.356 -2.963) 3.350 20.620 ( -2.545 -5.084 1.526) 5.886 20.652 ( 0.443 -4.935 -0.385) 4.970 ======================= Grid point 51 (22/55) ======================= q-point: ( 0.20 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 21.728 5.596 7.656) 23.707 0.950 ( 10.966 9.149 16.545) 21.857 1.143 ( 16.006 3.365 -3.790) 16.790 1.234 ( 6.867 8.642 -8.948) 14.209 1.477 ( 7.885 3.638 -2.766) 9.113 1.532 ( 4.700 4.592 -6.062) 8.941 1.653 ( 10.110 1.449 1.656) 10.346 1.671 ( 2.569 2.935 -3.348) 5.141 1.712 ( 1.091 7.418 3.792) 8.402 1.838 ( 0.662 7.800 -2.152) 8.119 1.843 ( 9.644 15.310 14.349) 23.093 1.908 ( -3.296 8.781 8.905) 12.934 1.932 ( -1.206 6.663 -2.271) 7.142 1.973 ( 1.373 10.620 -3.901) 11.397 2.154 ( 1.802 0.669 -5.924) 6.229 2.236 ( -0.188 0.387 -0.917) 1.013 2.263 ( 1.152 5.800 -2.578) 6.451 2.284 ( 3.714 1.548 -0.814) 4.105 2.345 ( -0.140 -2.876 1.306) 3.162 2.427 ( 5.456 3.075 0.694) 6.301 2.473 ( 1.705 0.349 5.533) 5.800 2.541 ( -3.264 -5.435 -0.352) 6.349 2.577 ( 3.408 -2.923 -1.812) 4.841 2.618 ( 5.621 -1.717 -3.815) 7.007 2.696 ( -1.932 -3.734 0.586) 4.245 2.730 ( 2.360 0.867 1.379) 2.868 2.786 ( 3.853 4.473 -7.569) 9.599 2.826 ( 4.583 -2.455 0.812) 5.262 2.865 ( 2.189 -1.307 0.427) 2.585 2.973 ( -2.754 -5.741 -8.949) 10.983 3.028 ( -3.712 -2.278 0.340) 4.369 3.088 ( 0.257 -0.126 6.208) 6.214 3.188 ( 0.693 -8.120 -1.527) 8.291 3.241 ( -1.559 -2.313 -4.144) 4.995 3.284 ( -6.327 -3.647 -0.464) 7.318 3.334 ( -3.608 -7.233 1.725) 8.265 3.407 ( -2.078 -2.933 -2.366) 4.304 3.469 ( -5.401 -0.942 -1.504) 5.685 3.557 ( 0.741 1.133 0.080) 1.356 3.675 ( -6.293 -4.484 0.757) 7.764 3.722 ( 3.333 0.298 1.619) 3.717 3.870 ( 3.842 -8.246 -0.274) 9.101 3.925 ( 1.702 -3.868 3.476) 5.472 3.985 ( -0.820 -2.125 3.436) 4.123 4.034 ( 0.677 -5.655 -5.312) 7.788 4.103 ( 5.334 -0.492 2.868) 6.076 4.154 ( -1.109 -3.485 -4.962) 6.164 4.226 ( 0.180 -1.114 -1.580) 1.942 4.278 ( -4.221 -0.431 1.456) 4.486 4.297 ( -1.061 2.045 3.392) 4.100 4.524 ( -3.254 0.008 2.615) 4.175 4.599 ( -8.833 0.742 2.690) 9.263 4.708 ( -0.467 -3.745 5.278) 6.488 4.870 ( -3.791 -4.034 -1.199) 5.664 4.887 ( 2.912 -0.530 1.883) 3.508 4.959 ( -8.401 -0.856 1.245) 8.536 5.099 ( -6.282 2.924 -0.785) 6.974 5.138 ( -0.090 1.412 -0.819) 1.635 5.161 ( -3.535 5.549 0.145) 6.581 5.228 ( -0.272 1.423 -0.189) 1.461 5.301 ( 6.592 0.586 8.316) 10.628 5.312 ( -0.377 -2.597 1.981) 3.287 5.365 ( -0.548 1.114 -1.476) 1.929 5.409 ( -1.113 5.571 -4.734) 7.395 5.516 ( -0.820 4.813 3.088) 5.777 5.532 ( -1.868 3.122 -1.655) 3.997 5.631 ( -1.417 -3.299 -2.539) 4.398 5.675 ( -0.701 1.342 0.220) 1.530 5.731 ( 1.949 -1.151 3.467) 4.140 5.791 ( 0.273 0.054 0.170) 0.326 5.878 ( -1.388 4.436 2.025) 5.070 5.956 ( 2.525 -0.839 -1.767) 3.194 6.006 ( 0.999 0.799 -1.542) 2.004 6.036 ( 4.320 1.521 -2.188) 5.076 6.116 ( 7.446 1.382 -0.369) 7.582 6.169 ( 10.655 1.291 0.549) 10.747 6.291 ( 6.019 -2.713 -0.728) 6.643 6.380 ( 1.181 -3.686 1.655) 4.210 6.480 ( 2.327 -2.823 1.987) 4.163 6.535 ( 5.481 1.939 -0.499) 5.835 6.623 ( -0.467 -0.600 1.223) 1.440 6.668 ( 6.607 -0.448 -3.830) 7.650 6.764 ( 3.000 3.249 2.514) 5.087 6.876 ( -3.047 1.208 0.796) 3.373 6.935 ( -8.298 6.165 1.057) 10.391 6.969 ( -5.927 3.045 -2.697) 7.189 7.096 ( -5.092 4.002 -4.202) 7.721 7.128 ( -2.358 6.010 -0.604) 6.484 7.218 ( -2.088 3.069 -0.501) 3.746 7.283 ( -3.373 -0.391 4.596) 5.715 7.336 ( -5.839 0.132 -0.233) 5.845 7.480 ( 1.745 2.042 -3.602) 4.493 7.535 ( -2.057 -4.245 1.009) 4.824 7.582 ( -2.191 1.208 8.523) 8.883 7.724 ( 6.934 6.119 -0.381) 9.256 7.763 ( 3.234 4.623 -3.293) 6.532 7.846 ( 0.766 2.010 -2.904) 3.614 7.908 ( 1.864 -0.008 2.232) 2.908 7.931 ( 0.828 3.871 -1.929) 4.404 7.975 ( -0.332 2.788 0.849) 2.934 8.067 ( 1.143 -0.730 -0.145) 1.364 8.116 ( 5.366 9.209 -0.619) 10.676 8.131 ( 1.942 3.169 -0.125) 3.719 8.268 ( -3.862 3.840 -0.073) 5.447 8.299 ( 0.839 4.709 -4.252) 6.400 8.539 ( -1.941 12.636 4.995) 13.726 8.596 ( 1.358 9.336 -1.897) 9.623 8.731 ( 0.683 -3.548 2.625) 4.466 8.819 ( -1.821 -4.088 4.436) 6.301 8.890 ( -0.061 -4.285 -8.852) 9.835 8.959 ( -2.970 4.031 1.801) 5.321 9.078 ( 1.716 1.796 2.851) 3.782 9.223 ( 1.738 -2.060 -1.833) 3.259 9.418 ( 2.354 1.222 -9.577) 9.938 9.496 ( -5.503 6.722 -0.379) 8.695 9.678 ( 3.098 9.099 4.457) 10.595 9.829 ( -1.115 4.313 -0.876) 4.540 9.859 ( 3.020 3.190 7.131) 8.375 9.901 ( -4.034 0.468 5.339) 6.708 9.987 ( -4.550 2.100 -4.332) 6.624 10.155 ( -0.926 -3.139 -3.841) 5.046 10.203 ( 4.939 7.168 -1.369) 8.812 10.556 ( -3.899 7.205 9.387) 12.460 10.680 ( -0.916 3.402 1.124) 3.699 10.862 ( -0.851 4.662 -0.571) 4.773 11.093 ( 9.434 1.623 -4.596) 10.619 11.542 ( -7.590 -5.024 0.856) 9.142 11.713 ( -9.518 -1.893 0.434) 9.714 11.775 ( 2.854 0.959 -1.473) 3.351 11.840 ( -6.036 -1.668 -1.707) 6.490 11.926 ( 3.237 6.171 -4.063) 8.066 12.091 ( 9.348 -1.972 5.233) 10.893 12.588 ( 5.984 -1.522 -3.536) 7.115 12.785 ( -3.181 -4.501 11.013) 12.316 12.907 ( 15.368 -6.443 -4.750) 17.327 13.068 ( -0.066 -8.341 -7.823) 11.436 13.407 ( -0.958 4.290 2.454) 5.034 13.494 ( 0.527 3.229 -0.427) 3.300 13.569 ( -2.421 0.458 1.393) 2.830 13.665 ( 2.071 -3.268 -3.851) 5.459 14.266 ( -5.066 4.594 -1.938) 7.109 14.484 ( 7.379 6.428 2.590) 10.123 14.584 ( -2.625 -5.473 -6.959) 9.234 14.724 ( 4.713 -2.458 2.044) 5.695 15.046 ( -2.100 1.332 3.593) 4.370 15.122 ( -2.869 3.473 -3.912) 5.966 15.276 ( -11.625 5.308 0.490) 12.789 15.470 ( -3.683 5.629 1.215) 6.836 15.708 ( 1.734 1.078 1.998) 2.856 15.799 ( 5.494 0.881 1.958) 5.899 15.830 ( -2.905 2.048 0.719) 3.626 16.019 ( 3.908 -0.867 1.240) 4.190 16.238 ( -1.277 2.397 0.871) 2.852 16.310 ( -0.706 3.250 0.976) 3.466 16.575 ( -15.037 -7.705 5.566) 17.789 16.711 ( -8.267 5.933 -5.422) 11.531 17.008 ( 1.079 -12.139 5.678) 13.445 17.082 ( 1.554 -2.323 -1.052) 2.986 17.128 ( 5.916 -6.436 -1.908) 8.948 17.244 ( 3.547 -5.229 -0.937) 6.388 18.139 ( -0.960 23.299 -0.287) 23.320 18.319 ( -10.827 24.133 -2.431) 26.562 18.739 ( 8.702 -6.313 -3.534) 11.317 18.772 ( 4.023 -6.606 -0.554) 7.755 19.070 ( -4.467 -0.828 2.643) 5.256 19.228 ( -0.541 -0.823 -2.343) 2.541 20.623 ( 1.319 -4.204 0.955) 4.508 20.669 ( 1.113 -5.334 0.140) 5.451 ======================= Grid point 52 (23/55) ======================= q-point: ( 0.40 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -4.376 7.712 -0.572) 8.885 1.235 ( 4.718 2.921 10.178) 11.592 1.323 ( 8.990 9.256 -3.546) 13.381 1.449 ( 5.391 9.955 -4.019) 12.014 1.508 ( 5.359 10.712 -1.128) 12.031 1.548 ( 0.809 9.571 0.208) 9.607 1.680 ( 5.058 2.563 0.162) 5.672 1.736 ( -0.806 4.372 -0.608) 4.487 1.798 ( 5.734 -1.272 -5.179) 7.830 1.859 ( -2.003 6.377 1.916) 6.953 1.920 ( 1.314 1.952 -4.057) 4.690 1.925 ( 4.626 8.593 -0.663) 9.782 1.989 ( 3.892 2.017 0.731) 4.444 2.149 ( 4.277 3.611 -2.756) 6.239 2.223 ( 1.375 1.924 -5.308) 5.811 2.267 ( -1.337 -1.305 1.755) 2.563 2.306 ( 1.182 1.101 0.695) 1.758 2.367 ( 4.689 0.000 -1.389) 4.891 2.391 ( 12.483 3.863 10.040) 16.479 2.448 ( -3.441 -5.709 -2.570) 7.144 2.511 ( 0.449 -1.191 2.440) 2.752 2.525 ( 1.680 4.763 4.104) 6.508 2.599 ( -1.924 -0.472 6.695) 6.982 2.665 ( -3.593 -1.608 0.643) 3.988 2.715 ( -2.818 -1.295 5.496) 6.311 2.749 ( 1.735 -1.413 -5.226) 5.685 2.761 ( 2.941 1.955 -6.258) 7.186 2.863 ( -1.163 0.007 -4.655) 4.798 2.895 ( 6.264 -5.323 -5.835) 10.080 2.943 ( -2.863 -1.216 -0.100) 3.112 3.027 ( 7.760 -0.451 5.479) 9.510 3.078 ( -4.065 -0.715 -5.347) 6.755 3.084 ( -6.968 0.223 3.544) 7.821 3.178 ( -2.519 -5.388 1.677) 6.180 3.268 ( -1.984 -0.799 3.789) 4.351 3.299 ( -0.570 -4.100 0.797) 4.215 3.329 ( -2.986 -0.533 -1.857) 3.557 3.360 ( -1.557 0.036 1.203) 1.968 3.560 ( 1.778 -3.573 1.937) 4.437 3.647 ( 0.182 -7.533 4.662) 8.861 3.863 ( 7.707 -1.748 0.825) 7.946 3.873 ( -0.563 -4.368 -0.815) 4.479 3.913 ( -3.173 0.630 -4.209) 5.308 3.982 ( 1.819 -0.819 -4.378) 4.811 4.052 ( -3.196 -6.600 1.093) 7.415 4.059 ( 0.559 -1.966 -3.788) 4.304 4.130 ( -0.431 -4.683 -3.162) 5.666 4.211 ( -0.956 -2.969 -0.836) 3.230 4.248 ( 2.060 -0.290 1.403) 2.509 4.296 ( -5.556 -3.303 2.728) 7.016 4.410 ( -7.411 -4.560 -0.044) 8.702 4.588 ( -1.611 3.076 -0.971) 3.606 4.683 ( -3.281 -6.227 4.118) 8.155 4.772 ( 4.082 -5.906 2.602) 7.637 4.887 ( -5.704 5.425 5.039) 9.347 4.911 ( 0.248 2.134 0.771) 2.283 5.001 ( -1.666 -3.560 0.659) 3.985 5.145 ( -0.444 6.801 -0.312) 6.822 5.193 ( 3.858 1.330 2.244) 4.657 5.226 ( -2.345 3.233 2.177) 4.549 5.262 ( 0.198 1.096 -3.542) 3.713 5.349 ( 0.762 3.408 -2.023) 4.036 5.391 ( -0.217 5.351 -4.430) 6.950 5.431 ( -1.439 2.712 0.341) 3.089 5.479 ( -0.517 -1.858 0.423) 1.975 5.529 ( -0.805 0.597 3.107) 3.265 5.585 ( -0.628 1.346 2.019) 2.506 5.683 ( 1.507 1.261 -3.072) 3.647 5.782 ( -1.841 4.406 3.520) 5.932 5.796 ( 0.226 1.864 -0.639) 1.983 5.869 ( 0.350 3.848 5.288) 6.549 5.987 ( 2.426 1.914 -1.509) 3.439 6.033 ( 0.689 -0.938 1.316) 1.757 6.083 ( 1.340 -3.507 0.957) 3.874 6.243 ( 4.044 -1.911 3.521) 5.692 6.345 ( 3.164 -6.078 -3.302) 7.606 6.378 ( 7.176 -3.647 1.317) 8.157 6.494 ( 5.046 0.061 -1.328) 5.218 6.500 ( 7.707 0.735 -2.706) 8.202 6.593 ( -3.191 -2.119 -3.205) 4.995 6.647 ( 1.404 -2.974 0.316) 3.304 6.711 ( -5.731 3.133 0.620) 6.561 6.747 ( -5.704 1.068 1.148) 5.915 6.820 ( -0.668 3.520 -0.563) 3.627 6.850 ( -1.692 7.085 1.482) 7.433 6.917 ( -5.136 3.490 -0.433) 6.224 6.992 ( 9.691 -1.523 -2.151) 10.043 7.077 ( -5.015 5.050 3.316) 7.852 7.143 ( -1.461 -3.823 -4.263) 5.910 7.240 ( -2.059 1.645 -1.026) 2.828 7.315 ( 0.187 1.602 4.028) 4.339 7.453 ( -4.486 3.992 2.857) 6.650 7.494 ( -3.686 -2.585 -4.603) 6.439 7.578 ( 1.420 -1.565 -1.779) 2.762 7.726 ( -3.826 6.856 2.155) 8.141 7.769 ( 1.476 2.698 -2.110) 3.729 7.830 ( 0.963 6.320 -2.532) 6.876 7.900 ( -0.715 1.011 -0.872) 1.514 7.974 ( 2.085 6.012 -0.616) 6.393 8.058 ( 3.330 8.082 8.004) 11.852 8.098 ( -0.117 -0.632 4.063) 4.113 8.143 ( -0.881 -1.025 -1.454) 1.985 8.253 ( 6.161 11.415 0.164) 12.972 8.294 ( 6.071 1.067 -2.811) 6.775 8.322 ( 3.189 4.565 1.424) 5.748 8.512 ( -2.309 12.967 0.096) 13.172 8.579 ( -0.508 7.737 -4.395) 8.913 8.727 ( -2.195 -4.245 -0.103) 4.780 8.779 ( -3.151 -1.939 -0.752) 3.775 8.821 ( -0.057 -3.217 -1.402) 3.510 8.944 ( -1.998 -1.092 -0.021) 2.277 9.111 ( -1.693 3.889 5.395) 6.863 9.285 ( 1.516 2.946 0.753) 3.397 9.334 ( 0.539 8.605 -3.304) 9.234 9.501 ( 3.879 -0.404 -3.561) 5.281 9.710 ( -2.254 6.062 4.201) 7.712 9.778 ( -3.381 0.353 -6.857) 7.654 9.832 ( -2.880 5.900 -1.481) 6.730 9.923 ( -1.270 1.203 6.042) 6.290 9.990 ( 3.582 3.631 7.885) 9.391 10.139 ( 1.629 -2.453 -2.658) 3.967 10.301 ( 5.398 7.922 -2.490) 9.905 10.500 ( -6.202 8.341 3.421) 10.943 10.622 ( -3.315 7.279 -2.303) 8.323 10.898 ( 1.854 2.051 3.981) 4.847 11.223 ( 6.210 1.664 -6.740) 9.314 11.434 ( -0.839 -2.884 -1.267) 3.260 11.524 ( -10.414 -1.148 1.982) 10.663 11.743 ( -1.265 -2.153 2.138) 3.287 11.818 ( 1.602 0.441 -0.613) 1.771 12.002 ( 6.566 2.951 -5.138) 8.844 12.218 ( -1.316 -4.067 -1.170) 4.432 12.712 ( 7.022 -3.873 1.949) 8.253 12.770 ( -4.673 -3.332 10.503) 11.969 13.059 ( 4.592 -9.162 -5.026) 11.414 13.110 ( 5.846 -7.014 -1.228) 9.213 13.402 ( -0.933 2.852 2.650) 4.003 13.502 ( -1.152 2.314 1.243) 2.869 13.516 ( -1.925 3.037 -0.372) 3.614 13.680 ( 2.521 -4.693 -5.705) 7.806 14.217 ( -0.475 4.154 2.871) 5.072 14.484 ( -1.115 -2.672 -5.738) 6.427 14.709 ( 11.383 1.620 2.480) 11.762 14.788 ( 0.301 -4.164 4.063) 5.826 14.964 ( -8.069 0.722 3.090) 8.671 15.049 ( -3.988 7.294 -2.436) 8.662 15.106 ( 0.295 5.533 -6.425) 8.484 15.391 ( -6.033 6.951 -5.114) 10.529 15.677 ( -11.836 0.665 11.931) 16.819 15.786 ( 3.794 -2.638 0.772) 4.685 15.940 ( 5.734 4.900 0.180) 7.544 16.098 ( 0.135 -3.601 2.012) 4.127 16.231 ( -3.768 2.582 -0.714) 4.623 16.261 ( 2.087 1.780 -0.182) 2.749 16.340 ( -4.675 7.518 -7.363) 11.515 16.570 ( -3.213 9.985 -5.358) 11.778 17.003 ( -1.897 -6.962 5.357) 8.987 17.126 ( 0.817 -12.052 -0.668) 12.099 17.216 ( 3.209 -1.092 0.873) 3.500 17.290 ( 1.448 -9.002 -0.659) 9.141 18.139 ( 1.076 23.003 -0.798) 23.042 18.174 ( -4.005 23.534 -0.025) 23.873 18.793 ( -0.119 -7.994 2.352) 8.334 18.885 ( 6.620 -8.019 -4.109) 11.180 19.012 ( -2.943 -1.965 3.541) 5.006 19.195 ( -0.643 -1.043 -2.882) 3.132 20.656 ( 1.166 -4.859 0.769) 5.056 20.685 ( 0.277 -5.391 0.137) 5.400 ======================= Grid point 53 (24/55) ======================= q-point: (-0.40 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -13.798 13.678 11.886) 22.776 1.153 ( -11.129 28.099 -4.417) 30.543 1.398 ( 3.387 5.908 -8.415) 10.825 1.491 ( -3.103 2.745 4.094) 5.824 1.537 ( -3.671 -0.540 5.833) 6.913 1.646 ( 1.566 4.444 -3.741) 6.017 1.689 ( -0.910 4.033 0.215) 4.140 1.773 ( -3.756 4.696 -4.506) 7.514 1.778 ( -3.514 1.409 -7.724) 8.602 1.802 ( 1.632 7.356 1.069) 7.610 1.898 ( -1.795 4.729 -3.848) 6.355 1.967 ( -13.542 8.218 -4.648) 16.508 1.988 ( 0.019 3.211 8.716) 9.288 2.070 ( -1.284 0.532 -0.320) 1.426 2.117 ( -5.997 6.148 -0.134) 8.590 2.275 ( -0.949 -2.151 1.825) 2.976 2.309 ( 0.172 -1.121 -0.187) 1.149 2.368 ( -5.067 -3.072 1.660) 6.154 2.405 ( -4.748 1.955 -1.143) 5.261 2.429 ( -2.354 -1.641 -1.359) 3.175 2.545 ( -3.260 -1.506 5.002) 6.157 2.566 ( 1.554 0.841 1.215) 2.144 2.601 ( 7.596 -1.795 1.506) 7.949 2.648 ( -4.096 0.394 -1.483) 4.374 2.685 ( -1.549 -0.976 1.280) 2.234 2.734 ( -2.578 -0.514 -2.273) 3.475 2.779 ( 2.483 -6.818 0.538) 7.276 2.817 ( -2.443 0.146 -3.610) 4.362 2.863 ( 2.177 -1.787 1.139) 3.038 2.942 ( -3.726 -2.557 -2.085) 4.977 3.020 ( 0.967 -2.782 2.115) 3.626 3.150 ( 2.028 -5.071 1.925) 5.791 3.194 ( 5.135 -3.687 3.473) 7.213 3.238 ( 5.703 -1.403 4.226) 7.236 3.285 ( 5.039 -0.251 0.489) 5.069 3.296 ( 4.120 -1.985 -5.310) 7.007 3.358 ( 8.300 3.694 -0.593) 9.104 3.453 ( 5.751 1.623 1.874) 6.263 3.599 ( -1.345 -7.682 1.517) 7.945 3.696 ( 0.570 -6.272 7.683) 9.934 3.797 ( -5.272 -6.129 -1.872) 8.298 3.831 ( -0.216 1.362 -7.979) 8.097 3.905 ( 0.720 1.224 -1.191) 1.854 4.011 ( -3.940 -2.845 -4.269) 6.468 4.028 ( -2.584 3.887 -4.073) 6.195 4.094 ( 5.000 -1.750 -3.545) 6.374 4.113 ( 1.642 -5.547 -0.997) 5.870 4.166 ( 5.635 -6.298 -0.683) 8.478 4.250 ( -0.037 -1.779 4.368) 4.717 4.295 ( 0.922 -2.748 0.838) 3.017 4.362 ( -0.808 -5.124 5.740) 7.737 4.461 ( -0.268 1.336 -2.152) 2.547 4.748 ( -0.860 -5.803 2.166) 6.253 4.795 ( -3.568 2.704 5.656) 7.213 4.897 ( 5.239 -5.697 -0.633) 7.766 4.948 ( 1.031 3.145 2.081) 3.910 5.096 ( 4.292 0.417 4.233) 6.042 5.110 ( -0.150 1.657 -0.781) 1.838 5.147 ( -2.764 0.171 0.028) 2.769 5.236 ( -0.058 6.535 0.641) 6.567 5.292 ( -1.091 0.538 -0.970) 1.556 5.313 ( -3.924 1.618 -0.131) 4.246 5.322 ( -2.084 2.557 -0.571) 3.348 5.399 ( 4.215 0.255 -4.458) 6.141 5.476 ( -1.240 4.060 2.870) 5.124 5.574 ( -1.666 1.626 0.612) 2.407 5.592 ( -2.268 0.177 -5.110) 5.593 5.622 ( 5.543 6.028 4.307) 9.253 5.810 ( -0.242 2.096 2.555) 3.314 5.828 ( 0.281 -0.982 3.849) 3.982 5.901 ( 0.496 5.891 -0.167) 5.914 5.996 ( -2.620 -0.068 0.775) 2.733 6.023 ( -0.997 -1.421 1.579) 2.347 6.121 ( 0.907 -3.630 1.749) 4.130 6.291 ( -3.887 -4.665 2.748) 6.665 6.335 ( -6.129 -2.869 -0.990) 6.840 6.399 ( 0.763 -2.477 0.288) 2.608 6.445 ( -9.644 -0.790 -3.606) 10.326 6.497 ( -4.677 -0.279 -2.478) 5.300 6.581 ( -4.310 -4.479 -3.595) 7.181 6.652 ( 8.385 -1.065 0.733) 8.484 6.685 ( 5.201 0.024 0.090) 5.202 6.747 ( -2.719 6.140 0.487) 6.733 6.794 ( 0.126 3.370 2.168) 4.009 6.866 ( 2.355 7.811 1.349) 8.269 6.912 ( 7.049 5.389 -3.509) 9.542 7.038 ( 1.169 -0.204 0.758) 1.408 7.097 ( 1.197 0.180 2.849) 3.095 7.144 ( 3.169 -5.120 -5.237) 7.981 7.211 ( -1.428 2.076 -2.538) 3.577 7.331 ( -3.619 3.385 3.351) 5.982 7.344 ( -0.092 2.187 2.174) 3.085 7.463 ( 0.493 4.370 -1.904) 4.793 7.586 ( 0.597 -2.094 -2.096) 3.022 7.730 ( 1.939 3.930 3.067) 5.348 7.780 ( -1.863 -0.043 -1.045) 2.136 7.817 ( 1.411 4.510 -0.745) 4.784 7.919 ( 4.415 1.384 -4.294) 6.312 8.028 ( 0.722 5.915 1.990) 6.282 8.074 ( -4.063 1.630 2.233) 4.914 8.091 ( -2.654 -2.185 -0.954) 3.568 8.129 ( -1.368 7.812 5.924) 9.900 8.297 ( -0.703 6.077 2.174) 6.492 8.379 ( 0.890 5.177 -0.668) 5.295 8.393 ( 2.109 2.215 1.701) 3.500 8.487 ( 1.005 7.921 -6.133) 10.068 8.536 ( -0.606 7.310 -3.035) 7.938 8.675 ( -1.101 -4.309 -0.642) 4.493 8.756 ( 0.893 1.444 1.258) 2.113 8.820 ( 2.370 -2.267 -6.387) 7.180 8.929 ( -0.924 1.624 7.256) 7.492 9.116 ( 2.669 3.576 -0.021) 4.462 9.315 ( 2.506 10.388 2.743) 11.033 9.373 ( -0.084 3.335 2.375) 4.095 9.523 ( 0.370 5.543 -4.648) 7.243 9.617 ( -4.409 1.374 -8.860) 9.991 9.710 ( -0.088 4.671 3.980) 6.137 9.839 ( 1.299 5.260 2.531) 5.981 9.921 ( -3.646 2.169 4.968) 6.533 10.073 ( 2.560 -1.235 -1.104) 3.049 10.174 ( -0.126 0.426 4.622) 4.643 10.293 ( -3.694 5.230 -4.866) 8.043 10.422 ( -3.129 8.802 2.919) 9.787 10.605 ( 4.695 9.222 -2.031) 10.546 10.935 ( -2.543 -0.024 5.486) 6.047 11.198 ( -3.215 3.976 -8.549) 9.962 11.400 ( -0.930 -3.256 0.032) 3.386 11.528 ( 10.041 -0.386 0.809) 10.081 11.799 ( 2.614 -1.585 2.736) 4.102 11.821 ( -0.538 1.057 -0.703) 1.378 12.067 ( -7.668 -2.807 -6.248) 10.282 12.091 ( 3.702 0.041 -0.608) 3.751 12.716 ( -4.619 -4.014 8.458) 10.439 12.835 ( -2.842 -4.105 4.086) 6.451 13.103 ( -2.041 -13.547 -4.412) 14.392 13.143 ( 4.159 -10.341 -2.276) 11.376 13.415 ( -0.137 4.077 2.259) 4.663 13.444 ( -3.284 1.497 2.728) 4.524 13.528 ( 1.395 3.810 -1.873) 4.469 13.677 ( 1.573 -3.385 -5.333) 6.510 14.278 ( 3.661 3.891 4.183) 6.785 14.425 ( -0.873 0.363 -6.469) 6.538 14.798 ( -0.920 -0.343 5.896) 5.977 14.840 ( -7.321 -0.526 6.006) 9.484 14.934 ( 0.824 3.014 -0.326) 3.142 15.035 ( 11.238 0.163 1.519) 11.341 15.085 ( 0.979 5.889 -11.029) 12.541 15.282 ( 6.074 7.955 -8.881) 13.381 15.537 ( -9.921 3.387 11.906) 15.864 15.860 ( -1.372 1.182 3.295) 3.760 16.017 ( 1.801 7.067 3.412) 8.051 16.056 ( -3.098 -1.991 -0.660) 3.741 16.156 ( -0.102 2.056 -2.790) 3.467 16.263 ( 0.142 5.540 -4.672) 7.248 16.324 ( -3.033 3.344 -0.025) 4.514 16.558 ( 9.429 7.791 -6.539) 13.870 17.010 ( -2.134 -7.433 5.507) 9.494 17.114 ( -0.806 -8.923 -0.932) 9.007 17.240 ( -1.840 -4.506 0.756) 4.925 17.296 ( -0.011 -7.235 -0.574) 7.258 18.137 ( 0.780 22.977 -0.916) 23.009 18.168 ( 1.537 23.478 0.137) 23.528 18.775 ( -2.717 -6.262 1.149) 6.922 18.941 ( 1.402 -11.578 -2.936) 12.026 19.028 ( 1.657 -3.135 4.081) 5.406 19.180 ( 1.864 0.013 -3.643) 4.092 20.672 ( -0.307 -5.768 0.926) 5.850 20.682 ( -0.475 -5.221 -0.018) 5.243 ======================= Grid point 54 (25/55) ======================= q-point: (-0.20 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -11.278 18.451 15.248) 26.460 0.918 ( -21.100 18.014 7.523) 28.745 1.170 ( -10.546 7.628 -2.180) 13.197 1.237 ( -20.914 7.587 -2.656) 22.406 1.368 ( -15.553 15.974 6.894) 23.337 1.577 ( -5.437 2.004 -1.577) 6.006 1.650 ( 1.251 2.026 -2.323) 3.327 1.670 ( -0.079 4.838 -2.505) 5.449 1.678 ( -9.438 10.961 -0.120) 14.465 1.760 ( 4.685 0.201 -6.041) 7.647 1.845 ( -3.407 3.087 3.322) 5.672 1.893 ( -2.263 1.308 -6.718) 7.209 1.945 ( 3.647 8.199 1.105) 9.042 2.104 ( 5.510 0.030 -0.743) 5.560 2.169 ( -4.617 3.126 -2.538) 6.126 2.206 ( 0.148 1.938 0.967) 2.171 2.266 ( -1.383 1.194 -1.436) 2.324 2.292 ( -5.016 1.629 4.827) 7.149 2.329 ( -0.009 0.285 0.001) 0.285 2.406 ( -2.641 -1.058 0.009) 2.845 2.520 ( -1.841 -2.168 -0.268) 2.856 2.571 ( -2.718 0.552 1.438) 3.125 2.598 ( 0.334 -2.672 0.579) 2.754 2.625 ( -5.007 1.850 -2.382) 5.845 2.659 ( -1.481 -1.305 0.101) 1.976 2.717 ( -2.777 -2.215 0.794) 3.640 2.809 ( 1.309 -4.790 -0.744) 5.021 2.831 ( 0.444 2.315 2.488) 3.427 2.848 ( -0.713 -2.195 -2.098) 3.119 2.899 ( 1.728 -8.381 3.043) 9.083 3.018 ( -0.927 -3.966 -0.216) 4.078 3.151 ( -0.256 -4.005 -6.996) 8.065 3.245 ( 1.976 -4.935 0.798) 5.375 3.316 ( 2.892 -3.688 -4.366) 6.405 3.331 ( -0.238 -6.446 -0.135) 6.452 3.428 ( 4.632 -5.456 0.319) 7.164 3.481 ( 3.948 2.429 -4.647) 6.564 3.574 ( 6.199 2.566 -5.138) 8.450 3.603 ( -0.809 -3.562 6.210) 7.205 3.671 ( -3.669 -6.380 -2.470) 7.763 3.723 ( -1.431 -3.244 5.248) 6.333 3.753 ( -0.559 0.784 -7.292) 7.356 3.881 ( -1.629 -3.770 -1.394) 4.337 3.959 ( -1.206 -2.193 -0.201) 2.511 4.045 ( 1.974 -3.823 0.691) 4.358 4.104 ( -0.219 1.250 -5.099) 5.255 4.143 ( -3.404 -6.394 -0.346) 7.252 4.220 ( 2.263 -3.886 3.344) 5.604 4.229 ( 3.071 3.081 4.500) 6.259 4.350 ( 1.755 2.872 3.100) 4.576 4.465 ( 4.428 0.822 3.557) 5.739 4.626 ( 3.447 -0.447 3.362) 4.835 4.690 ( 0.590 1.234 8.473) 8.583 4.821 ( 1.758 -7.368 -1.487) 7.719 4.908 ( -1.892 -2.181 -2.524) 3.835 4.967 ( 2.979 0.868 1.252) 3.346 5.071 ( -0.379 -2.599 -2.176) 3.411 5.149 ( -2.904 7.352 -1.555) 8.056 5.192 ( 5.675 -2.807 -0.622) 6.362 5.234 ( -0.095 2.064 -3.018) 3.658 5.246 ( -1.317 -0.945 3.354) 3.725 5.301 ( 0.500 2.403 1.888) 3.096 5.328 ( 3.318 3.507 3.534) 5.983 5.451 ( 5.210 0.839 0.204) 5.281 5.505 ( -0.191 -2.925 2.387) 3.780 5.552 ( -0.534 2.628 -3.013) 4.034 5.619 ( 5.667 1.802 2.234) 6.352 5.734 ( -7.168 2.260 2.009) 7.780 5.778 ( -0.414 -3.029 7.664) 8.251 5.821 ( 2.792 3.497 -3.922) 5.950 5.887 ( -1.106 2.628 -3.535) 4.541 5.950 ( -2.478 2.210 0.071) 3.321 5.982 ( -3.984 0.475 1.692) 4.354 6.069 ( -7.872 -3.653 -5.692) 10.378 6.125 ( -5.792 -1.936 0.261) 6.112 6.213 ( -5.662 2.086 3.604) 7.028 6.275 ( -8.989 -4.285 -3.245) 10.474 6.375 ( -5.420 -3.080 4.980) 7.979 6.447 ( 1.130 3.050 1.276) 3.494 6.561 ( 2.269 -4.563 -3.258) 6.048 6.611 ( -4.136 0.125 -0.999) 4.257 6.663 ( -3.821 4.548 3.434) 6.861 6.814 ( 2.810 -3.839 -1.912) 5.127 6.916 ( 3.474 3.306 -2.647) 5.478 6.931 ( 2.897 1.585 4.579) 5.645 6.994 ( 4.668 5.927 -3.462) 8.301 7.044 ( 0.067 2.781 -1.862) 3.348 7.125 ( 1.208 3.318 -4.287) 5.554 7.182 ( 4.017 -0.107 1.105) 4.167 7.264 ( 8.547 3.512 3.385) 9.841 7.365 ( 0.720 0.887 0.922) 1.468 7.366 ( 3.560 1.040 2.209) 4.317 7.465 ( 0.160 5.539 0.620) 5.576 7.572 ( -1.731 1.118 0.805) 2.213 7.739 ( 0.267 -0.687 -0.018) 0.737 7.787 ( 0.431 3.675 -0.732) 3.772 7.866 ( 2.449 0.827 3.662) 4.482 7.921 ( -6.972 -3.597 -2.873) 8.355 7.963 ( 1.322 3.697 -4.746) 6.160 7.992 ( -8.047 0.238 0.129) 8.052 8.042 ( -0.588 2.719 -0.041) 2.782 8.163 ( -0.980 4.816 7.555) 9.013 8.286 ( -4.231 4.945 -3.498) 7.389 8.313 ( -2.065 5.977 -3.218) 7.095 8.394 ( 0.538 0.328 -3.599) 3.654 8.467 ( 0.872 6.750 -5.133) 8.525 8.512 ( 0.236 1.620 0.826) 1.834 8.700 ( 1.762 -2.275 2.323) 3.698 8.798 ( 0.109 4.636 -2.568) 5.301 8.829 ( 3.426 2.585 -0.794) 4.365 8.981 ( 1.432 0.207 3.618) 3.897 9.235 ( 4.939 3.529 2.511) 6.569 9.301 ( -5.413 8.002 -6.699) 11.756 9.372 ( 0.478 1.916 2.969) 3.566 9.469 ( 0.175 1.202 -7.372) 7.471 9.631 ( 7.891 3.096 5.155) 9.921 9.745 ( 0.053 6.372 2.859) 6.984 9.857 ( -3.399 5.709 2.571) 7.124 9.900 ( 1.244 2.116 4.785) 5.377 10.078 ( -0.330 4.696 -0.571) 4.742 10.180 ( 0.771 2.252 -0.938) 2.559 10.193 ( -1.373 1.176 -5.533) 5.821 10.450 ( 1.102 7.567 9.260) 12.009 10.718 ( 2.758 5.688 5.622) 8.460 10.866 ( -3.735 -0.596 -0.878) 3.883 11.052 ( -4.900 5.905 -6.218) 9.876 11.467 ( 6.026 -2.884 0.546) 6.703 11.758 ( 9.549 -2.680 0.794) 9.950 11.810 ( 0.356 -1.411 -1.370) 1.999 11.831 ( 2.371 1.929 -1.552) 3.428 11.918 ( -2.129 2.449 -3.548) 4.809 12.134 ( -2.015 -1.737 4.559) 5.278 12.608 ( -18.380 -8.779 -5.285) 21.044 12.715 ( -1.608 -4.740 7.427) 8.956 12.942 ( -9.894 -7.780 -6.600) 14.212 13.180 ( 1.392 -7.852 -5.382) 9.621 13.410 ( -0.343 5.924 -0.069) 5.934 13.451 ( -0.013 -0.322 5.132) 5.142 13.540 ( 2.216 2.158 -2.565) 4.019 13.680 ( 1.057 -1.586 -2.244) 2.945 14.332 ( 0.817 2.617 -3.532) 4.471 14.432 ( 4.279 1.527 1.261) 4.715 14.706 ( -7.734 5.241 -6.368) 11.306 14.780 ( -1.569 3.364 -2.486) 4.467 14.914 ( 2.166 -0.971 1.077) 2.606 15.163 ( 8.569 0.731 -1.046) 8.663 15.291 ( 6.147 2.194 0.712) 6.565 15.467 ( 12.032 -4.219 14.398) 19.232 15.517 ( 4.454 9.460 -0.333) 10.461 15.766 ( -7.682 6.599 1.085) 10.185 15.993 ( -3.414 0.109 6.938) 7.733 16.087 ( 3.391 6.281 4.912) 8.665 16.121 ( -9.663 9.623 -3.678) 14.124 16.207 ( 1.490 1.574 -1.862) 2.858 16.279 ( 3.024 3.969 2.141) 5.429 16.766 ( 12.075 -3.273 -2.315) 12.723 16.972 ( -5.354 -4.559 4.180) 8.181 17.107 ( 0.835 -1.241 -0.438) 1.558 17.166 ( -5.264 -13.090 -1.323) 14.171 17.272 ( -2.404 -2.850 -0.645) 3.784 18.187 ( 0.745 24.595 1.745) 24.668 18.217 ( 9.048 23.232 -4.000) 25.250 18.729 ( -1.317 -6.153 -1.240) 6.413 18.897 ( -3.948 -12.878 -4.286) 14.135 19.097 ( 1.986 -2.191 2.972) 4.192 19.210 ( 3.353 0.495 -3.497) 4.870 20.658 ( -1.006 -5.415 -0.102) 5.509 20.669 ( -1.671 -6.867 0.751) 7.108 ======================= Grid point 55 (26/55) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -4.789 13.381 6.349) 15.566 1.031 ( -1.728 11.390 3.182) 11.952 1.138 ( 1.294 9.124 1.697) 9.370 1.314 ( -2.631 9.592 2.116) 10.169 1.489 ( 1.654 4.511 -5.259) 7.124 1.524 ( -1.445 1.546 2.722) 3.448 1.611 ( 2.510 -0.401 -1.139) 2.786 1.676 ( -0.314 5.880 -8.699) 10.505 1.777 ( -1.569 0.982 1.248) 2.232 1.913 ( 1.730 3.839 -1.874) 4.609 2.024 ( 2.616 10.635 4.902) 11.999 2.062 ( -3.267 1.716 2.160) 4.276 2.117 ( 3.517 8.143 2.708) 9.274 2.158 ( -0.651 5.165 6.920) 8.660 2.216 ( 0.542 0.138 0.434) 0.708 2.235 ( 1.117 4.189 -2.510) 5.010 2.292 ( -3.618 2.888 -3.627) 5.881 2.320 ( 0.868 5.398 0.832) 5.531 2.400 ( 4.037 4.188 -1.008) 5.903 2.443 ( 0.247 6.087 -1.287) 6.226 2.466 ( -1.520 -0.819 -1.196) 2.101 2.515 ( -0.787 1.338 -1.322) 2.039 2.554 ( -2.380 3.194 -0.636) 4.034 2.591 ( 2.733 -3.127 1.709) 4.491 2.612 ( 0.390 1.197 -0.888) 1.541 2.698 ( -1.106 -0.479 1.187) 1.692 2.725 ( 0.194 -0.568 0.691) 0.915 2.790 ( 1.372 -0.440 -0.476) 1.518 2.843 ( 2.365 -3.034 1.205) 4.031 2.949 ( 0.832 2.110 -2.103) 3.093 2.988 ( 1.935 0.357 4.685) 5.081 3.028 ( 0.397 -7.472 -2.117) 7.776 3.060 ( -4.132 -7.163 -2.122) 8.537 3.151 ( -2.434 -0.831 4.511) 5.193 3.230 ( -0.454 -8.644 2.896) 9.127 3.339 ( 1.652 -4.603 -2.295) 5.402 3.413 ( -4.211 -4.704 -5.884) 8.630 3.474 ( 2.465 -4.327 -5.965) 7.771 3.557 ( -5.584 -2.924 -0.026) 6.303 3.631 ( 1.942 0.729 2.602) 3.328 3.666 ( -1.238 -5.519 0.274) 5.663 3.735 ( 2.314 -5.395 0.101) 5.872 3.795 ( 1.815 -1.727 2.537) 3.565 3.879 ( -0.254 -2.723 -7.141) 7.647 3.962 ( -5.434 0.212 2.720) 6.080 4.109 ( 1.288 1.447 -3.862) 4.320 4.114 ( 4.708 -1.244 -3.996) 6.299 4.148 ( -0.116 -6.015 -0.677) 6.054 4.317 ( -1.223 2.912 4.181) 5.240 4.455 ( -2.162 -0.674 -2.506) 3.378 4.539 ( 2.392 0.038 2.489) 3.453 4.601 ( -0.395 -3.126 3.193) 4.486 4.728 ( -6.315 1.103 0.058) 6.411 4.761 ( -2.359 -2.959 1.414) 4.040 4.844 ( -0.575 -5.252 2.468) 5.832 5.021 ( 3.839 -5.712 -0.454) 6.897 5.028 ( 6.443 -5.235 3.322) 8.942 5.121 ( -0.833 5.435 7.128) 9.003 5.243 ( 2.563 0.618 1.314) 2.946 5.272 ( -1.082 0.285 1.206) 1.645 5.342 ( -3.551 2.741 0.208) 4.490 5.363 ( -0.525 4.613 0.937) 4.736 5.402 ( -5.432 -1.701 -2.397) 6.176 5.480 ( -0.140 0.828 -3.454) 3.555 5.505 ( 3.024 3.197 2.366) 4.996 5.595 ( 3.643 2.570 2.866) 5.300 5.647 ( 1.388 1.036 -1.004) 2.002 5.720 ( -0.761 0.231 2.416) 2.543 5.827 ( -0.311 1.664 -1.798) 2.470 5.849 ( -2.534 1.851 -2.083) 3.766 5.873 ( -7.869 5.844 -5.456) 11.218 5.948 ( 8.861 5.902 0.143) 10.648 5.997 ( -2.123 3.235 -3.723) 5.369 6.031 ( -3.385 1.515 -1.553) 4.021 6.046 ( 3.709 0.519 3.567) 5.172 6.199 ( -3.071 2.942 0.767) 4.322 6.233 ( 7.974 3.768 0.885) 8.864 6.287 ( -3.332 -0.515 -0.134) 3.375 6.425 ( 2.379 -5.433 -0.194) 5.934 6.485 ( -4.790 -1.009 -0.963) 4.989 6.569 ( 1.658 2.427 2.520) 3.872 6.694 ( -0.731 1.773 -5.669) 5.985 6.839 ( -1.215 4.143 3.303) 5.436 6.894 ( 1.737 2.329 -1.467) 3.255 7.024 ( -2.164 -0.606 1.573) 2.743 7.161 ( 2.832 2.296 1.526) 3.953 7.205 ( 1.810 6.953 -2.864) 7.735 7.277 ( -1.366 7.392 0.796) 7.560 7.304 ( 4.913 -1.994 3.387) 6.291 7.376 ( 0.541 1.996 0.357) 2.099 7.437 ( -0.916 2.827 0.715) 3.057 7.470 ( -5.904 -1.112 -0.710) 6.050 7.542 ( 7.516 0.384 2.424) 7.907 7.624 ( -8.117 -2.275 0.534) 8.447 7.676 ( 1.619 4.760 1.301) 5.193 7.744 ( -0.363 2.816 1.312) 3.128 7.822 ( 2.060 4.127 -3.074) 5.543 7.937 ( -1.427 2.393 3.127) 4.188 7.999 ( 2.649 6.669 -2.028) 7.457 8.028 ( 0.910 1.094 -2.932) 3.259 8.141 ( -2.763 6.509 -1.306) 7.190 8.216 ( -1.333 4.460 -5.989) 7.586 8.243 ( -0.703 1.525 -1.233) 2.083 8.357 ( -0.385 -0.095 -2.745) 2.773 8.405 ( -2.024 4.791 7.352) 9.006 8.576 ( 3.119 -1.961 0.369) 3.702 8.625 ( 2.209 6.486 7.833) 10.407 8.734 ( 1.120 0.429 3.385) 3.591 8.835 ( -0.270 3.412 1.175) 3.619 8.984 ( -0.792 7.687 -7.068) 10.472 9.048 ( 2.214 2.229 -3.304) 4.559 9.193 ( -2.937 0.468 -8.199) 8.722 9.210 ( -3.850 5.762 1.242) 7.041 9.496 ( 0.623 5.476 -6.568) 8.574 9.698 ( -3.232 0.626 3.029) 4.473 9.776 ( 7.005 11.234 7.208) 15.074 9.781 ( -0.879 2.217 0.648) 2.471 9.890 ( -1.759 2.054 0.132) 2.707 10.029 ( 0.661 3.901 2.127) 4.492 10.109 ( 2.157 1.220 -1.441) 2.867 10.159 ( -4.383 2.776 0.439) 5.207 10.326 ( 0.902 11.896 -3.163) 12.342 10.683 ( 0.001 5.699 7.039) 9.057 10.729 ( -2.030 10.132 6.292) 12.098 11.009 ( 1.306 5.185 -3.849) 6.588 11.075 ( 1.102 3.433 -7.973) 8.750 11.606 ( 0.640 0.756 1.929) 2.168 11.748 ( -2.383 -4.131 -3.487) 5.908 11.778 ( 2.577 -0.773 0.919) 2.843 11.808 ( 3.130 -1.535 -2.250) 4.149 11.967 ( -1.585 0.359 0.607) 1.735 12.034 ( -3.634 1.348 0.085) 3.877 12.460 ( 5.006 0.380 6.206) 7.983 12.633 ( -1.066 -7.722 6.831) 10.365 12.677 ( -1.004 -5.265 -4.264) 6.848 12.977 ( -1.100 -9.082 -7.245) 11.670 13.499 ( -0.097 4.180 1.491) 4.439 13.541 ( -0.006 4.734 2.949) 5.577 13.603 ( 2.314 -0.490 -2.994) 3.816 13.649 ( -1.084 3.161 -1.485) 3.657 14.390 ( 4.174 -1.854 -1.906) 4.949 14.441 ( -1.461 1.627 -3.629) 4.237 14.586 ( -3.908 -3.254 2.705) 5.760 14.774 ( -3.410 3.752 -6.646) 8.359 15.027 ( 3.505 3.815 4.267) 6.711 15.183 ( 0.034 -1.883 -3.260) 3.764 15.438 ( -0.352 0.883 2.664) 2.829 15.625 ( 6.704 -2.238 0.249) 7.072 15.661 ( -2.551 2.204 6.385) 7.220 15.833 ( -2.980 8.608 0.653) 9.132 15.913 ( -4.247 -0.468 1.335) 4.476 16.039 ( -3.303 2.995 -4.625) 6.424 16.290 ( 2.270 5.794 4.057) 7.428 16.343 ( 1.675 4.736 0.246) 5.030 16.485 ( 1.346 4.616 5.929) 7.634 16.717 ( 7.208 -8.899 -4.825) 12.427 16.865 ( -4.839 1.347 5.695) 7.594 17.098 ( 0.387 7.940 -5.014) 9.398 17.236 ( -1.710 7.851 2.040) 8.290 17.322 ( 0.578 12.601 -1.958) 12.765 18.464 ( 1.813 -9.716 0.613) 9.903 18.486 ( -3.204 0.905 0.218) 3.336 18.547 ( 0.763 -7.413 0.911) 7.507 18.673 ( 1.413 -1.088 -4.371) 4.721 19.156 ( -1.126 7.198 2.539) 7.715 19.310 ( 1.885 7.920 -4.515) 9.309 20.496 ( -0.576 -8.035 0.838) 8.099 20.519 ( 0.125 -8.929 -0.275) 8.934 ======================= Grid point 56 (27/55) ======================= q-point: ( 0.20 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 14.559 4.836 4.034) 15.862 1.159 ( 7.935 10.855 9.226) 16.307 1.268 ( 5.731 9.666 0.548) 11.251 1.328 ( 11.107 0.100 0.208) 11.109 1.580 ( 4.950 2.001 0.509) 5.364 1.629 ( 5.602 6.181 -10.847) 13.684 1.664 ( 2.696 1.258 -1.804) 3.479 1.706 ( 15.072 5.543 -0.512) 16.067 1.813 ( 4.001 3.800 1.723) 5.780 1.941 ( -0.285 3.247 -1.990) 3.819 1.994 ( -5.023 4.210 1.744) 6.782 2.060 ( -1.757 1.288 2.082) 3.013 2.146 ( 2.309 8.118 0.498) 8.454 2.177 ( -3.190 1.643 -0.049) 3.589 2.199 ( -1.058 2.303 -1.466) 2.928 2.259 ( 0.882 -2.043 1.381) 2.619 2.297 ( 6.246 3.232 -0.015) 7.032 2.348 ( 1.885 3.196 -0.009) 3.711 2.405 ( -0.614 4.403 -2.425) 5.064 2.436 ( -1.817 4.033 1.136) 4.567 2.460 ( -1.054 0.044 -0.638) 1.233 2.530 ( 3.913 4.814 5.468) 8.270 2.581 ( 1.703 2.282 2.306) 3.664 2.625 ( 3.437 1.269 -2.451) 4.408 2.661 ( 2.717 2.102 2.306) 4.137 2.721 ( 2.781 -1.458 -0.654) 3.207 2.769 ( 1.330 -0.955 1.496) 2.218 2.814 ( 3.563 -3.441 -5.296) 7.251 2.891 ( 3.809 0.538 -1.504) 4.130 2.929 ( 0.989 5.070 -9.224) 10.572 2.961 ( -3.377 -6.952 1.144) 7.813 3.029 ( -1.257 -2.793 5.337) 6.153 3.077 ( 2.059 -1.796 3.319) 4.300 3.183 ( -0.293 -1.460 8.038) 8.175 3.211 ( -3.530 -3.709 2.339) 5.629 3.261 ( -3.749 0.337 -9.322) 10.053 3.335 ( -0.991 -4.619 -0.934) 4.815 3.441 ( -2.892 -0.913 -1.839) 3.546 3.499 ( 1.884 -5.820 -4.811) 7.783 3.582 ( -6.410 -4.473 -1.384) 7.938 3.691 ( 1.568 -3.793 2.068) 4.596 3.753 ( 0.783 -1.182 0.333) 1.456 3.819 ( 1.818 -3.780 0.559) 4.231 3.937 ( 2.895 -3.977 2.663) 5.594 3.947 ( 3.400 -3.606 -0.255) 4.963 4.079 ( -1.731 -2.780 -0.361) 3.294 4.114 ( -2.450 -3.392 -3.181) 5.256 4.157 ( 0.542 -2.891 0.174) 2.946 4.302 ( -4.535 2.234 2.613) 5.691 4.360 ( -8.003 4.507 0.501) 9.199 4.511 ( -0.957 -2.585 -1.332) 3.061 4.558 ( -2.021 -8.620 -0.484) 8.867 4.664 ( -7.575 1.760 2.001) 8.030 4.702 ( -0.329 -6.451 1.186) 6.567 4.876 ( 4.686 -2.214 1.055) 5.289 4.988 ( -7.372 2.669 0.196) 7.842 5.102 ( -5.536 -1.826 -2.048) 6.179 5.179 ( -8.570 1.148 2.074) 8.892 5.185 ( 3.497 -5.978 -0.646) 6.956 5.265 ( -0.777 3.397 4.786) 5.921 5.301 ( 8.216 2.321 5.316) 10.057 5.353 ( 3.510 3.092 3.560) 5.879 5.443 ( 0.072 6.815 0.291) 6.822 5.530 ( 4.648 -0.498 -1.327) 4.859 5.545 ( -3.540 6.010 -7.457) 10.210 5.598 ( 1.906 0.910 0.493) 2.169 5.627 ( -5.110 2.810 -0.594) 5.862 5.697 ( -3.963 1.674 -2.700) 5.079 5.741 ( 1.500 1.265 4.149) 4.590 5.790 ( -0.598 -0.155 3.370) 3.426 5.921 ( 5.058 0.923 -2.197) 5.591 5.971 ( 1.082 1.154 1.808) 2.403 5.984 ( 2.233 0.382 -3.643) 4.290 6.101 ( 0.688 2.143 -1.433) 2.668 6.165 ( 4.815 0.482 2.541) 5.465 6.201 ( 4.238 4.732 -0.228) 6.356 6.247 ( 1.860 -0.824 -4.504) 4.942 6.385 ( 6.090 3.208 -0.450) 6.898 6.428 ( 0.767 -2.445 0.561) 2.623 6.489 ( 3.041 -4.592 2.551) 6.069 6.583 ( -1.857 -0.189 2.194) 2.881 6.694 ( 5.747 2.442 -4.762) 7.853 6.857 ( 2.382 6.006 0.497) 6.480 6.906 ( -2.310 1.418 -0.054) 2.711 6.952 ( -6.246 0.196 3.760) 7.293 7.109 ( -8.496 0.160 -4.689) 9.705 7.152 ( -6.412 4.522 0.515) 7.863 7.235 ( -2.491 4.238 -3.844) 6.241 7.271 ( -4.656 3.342 2.856) 6.404 7.347 ( -1.241 3.973 1.991) 4.614 7.386 ( -6.605 4.824 0.841) 8.222 7.436 ( 2.064 -0.561 -1.422) 2.569 7.537 ( 2.803 -0.815 2.323) 3.731 7.606 ( -2.931 4.693 2.578) 6.105 7.773 ( 4.202 -2.154 0.588) 4.759 7.859 ( 3.042 2.428 -5.254) 6.538 7.870 ( 6.971 0.790 0.293) 7.022 7.965 ( 1.358 6.878 3.072) 7.654 7.998 ( 2.086 3.639 -3.059) 5.191 8.081 ( -1.057 4.903 3.290) 5.999 8.101 ( 5.669 6.110 0.870) 8.380 8.210 ( 1.411 5.164 -4.465) 6.971 8.255 ( 3.759 1.614 -0.016) 4.091 8.328 ( -2.192 3.380 -1.562) 4.321 8.343 ( -2.421 2.298 0.385) 3.360 8.627 ( -1.567 -4.596 2.342) 5.391 8.728 ( 0.955 7.888 8.446) 11.596 8.789 ( 2.121 2.608 4.150) 5.341 8.870 ( 2.190 2.758 -2.982) 4.615 8.886 ( -2.062 12.840 -7.884) 15.208 8.981 ( -4.386 0.931 -7.166) 8.453 9.134 ( 4.575 -1.549 -1.784) 5.149 9.222 ( -1.510 5.240 8.493) 10.093 9.480 ( 2.429 4.802 -7.637) 9.343 9.615 ( -4.829 6.305 2.935) 8.467 9.812 ( 0.794 1.585 1.952) 2.637 9.835 ( -2.641 -0.342 -2.630) 3.743 9.930 ( 2.464 6.065 4.862) 8.154 10.032 ( -0.468 7.432 0.343) 7.455 10.079 ( -1.309 -1.176 -2.760) 3.274 10.141 ( -0.499 13.271 3.665) 13.776 10.370 ( 6.476 9.119 -4.043) 11.893 10.737 ( -2.700 10.876 7.921) 13.723 10.759 ( 2.531 5.365 3.313) 6.794 10.963 ( -2.829 4.745 -2.329) 5.995 11.108 ( 8.269 0.162 -7.113) 10.908 11.486 ( -9.170 -1.305 0.064) 9.263 11.647 ( -7.201 -4.306 -0.502) 8.405 11.793 ( -5.360 -2.922 -2.182) 6.483 11.804 ( 1.811 1.251 -1.614) 2.729 12.015 ( 1.844 2.779 -2.049) 3.914 12.055 ( 7.159 -0.786 5.189) 8.876 12.563 ( 3.102 -1.535 -1.592) 3.809 12.667 ( -0.556 -7.029 6.915) 9.875 12.786 ( 10.851 -6.220 1.784) 12.634 12.895 ( -1.114 -9.276 -7.060) 11.710 13.487 ( -2.026 4.122 0.834) 4.669 13.557 ( -0.642 3.317 3.023) 4.533 13.605 ( 0.538 0.457 -2.604) 2.698 13.634 ( 0.630 3.653 -2.375) 4.403 14.340 ( -3.775 3.203 -3.551) 6.092 14.454 ( 1.326 -5.154 -3.776) 6.525 14.607 ( 2.522 1.320 7.131) 7.678 14.693 ( -0.458 0.207 -1.270) 1.366 15.077 ( -2.776 1.382 2.645) 4.076 15.135 ( -1.697 -1.741 -3.913) 4.607 15.348 ( -8.761 1.581 3.188) 9.456 15.591 ( -0.806 6.787 -3.164) 7.532 15.731 ( -1.127 -0.475 3.636) 3.836 15.835 ( -5.586 -0.411 3.039) 6.373 15.876 ( 5.566 5.674 0.013) 7.949 16.026 ( 4.204 3.672 1.210) 5.711 16.306 ( -1.418 2.916 -2.365) 4.013 16.379 ( -3.157 4.528 1.869) 5.828 16.472 ( 0.780 -1.608 1.022) 2.059 16.833 ( 7.346 4.425 -7.186) 11.189 16.874 ( -2.459 1.324 6.593) 7.160 17.085 ( 2.326 2.942 -2.471) 4.492 17.161 ( -5.196 9.544 1.580) 10.981 17.318 ( -0.511 9.322 -0.722) 9.364 18.437 ( -1.229 1.925 -0.857) 2.439 18.496 ( -0.245 -5.774 1.828) 6.061 18.561 ( 0.796 -8.118 0.170) 8.159 18.669 ( 1.159 -4.044 -3.327) 5.364 19.117 ( -4.331 8.245 2.818) 9.731 19.283 ( -1.011 8.173 -3.842) 9.087 20.507 ( 0.984 -7.917 0.637) 8.004 20.529 ( 0.933 -9.192 -0.155) 9.241 ======================= Grid point 57 (28/55) ======================= q-point: ( 0.40 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 3.063 0.237 9.219) 9.717 1.286 ( 1.382 9.516 5.381) 11.020 1.469 ( 11.511 2.700 -1.365) 11.902 1.591 ( 9.412 2.352 -2.685) 10.066 1.617 ( 6.008 4.652 -0.651) 7.626 1.707 ( 3.231 1.228 -0.722) 3.531 1.727 ( 3.026 3.373 -1.627) 4.815 1.799 ( -6.850 2.224 -2.748) 7.708 1.861 ( -0.208 7.124 -1.979) 7.396 1.954 ( 1.966 1.108 4.932) 5.423 2.010 ( 2.559 6.365 0.780) 6.904 2.055 ( -3.216 6.603 0.221) 7.348 2.083 ( 3.804 3.943 1.130) 5.594 2.162 ( -0.594 -4.517 -0.461) 4.579 2.241 ( 5.433 2.247 -2.261) 6.300 2.310 ( 1.952 -0.006 -0.708) 2.077 2.326 ( -2.201 1.770 0.194) 2.831 2.372 ( -0.649 6.148 -3.875) 7.296 2.386 ( 1.480 2.653 -4.179) 5.167 2.430 ( -0.609 -0.177 0.660) 0.915 2.459 ( 0.652 -1.319 3.919) 4.186 2.595 ( -0.327 -5.685 -1.789) 5.969 2.614 ( 2.011 0.719 -0.470) 2.187 2.655 ( 0.196 0.990 -0.871) 1.333 2.699 ( -0.604 0.636 -1.031) 1.353 2.740 ( 0.138 -0.340 -3.879) 3.896 2.840 ( 4.592 6.678 3.391) 8.785 2.870 ( 2.202 -4.008 -1.717) 4.885 2.872 ( -0.981 5.623 -1.897) 6.015 2.949 ( 2.347 -2.881 -7.601) 8.461 2.975 ( 2.058 2.801 3.429) 4.883 3.024 ( -0.562 -2.418 -0.238) 2.493 3.065 ( -4.301 -3.988 3.059) 6.615 3.136 ( -3.748 -0.215 0.256) 3.763 3.199 ( 1.063 -5.606 4.979) 7.573 3.250 ( 0.333 2.392 3.787) 4.492 3.320 ( 0.609 -0.435 0.185) 0.770 3.385 ( -1.983 2.273 -1.137) 3.223 3.441 ( -3.357 -6.419 -0.156) 7.246 3.534 ( 2.769 -2.635 3.927) 5.480 3.756 ( 2.499 -8.158 -0.293) 8.538 3.797 ( 2.893 -3.099 -1.578) 4.523 3.900 ( 4.562 -2.084 2.186) 5.471 3.940 ( -2.276 -1.747 -2.275) 3.662 3.961 ( -1.521 -0.612 0.820) 1.833 4.006 ( -2.899 -5.832 -2.269) 6.897 4.113 ( 4.443 2.304 1.818) 5.325 4.170 ( -4.575 -2.167 0.700) 5.110 4.184 ( -2.600 -4.146 2.242) 5.383 4.214 ( -5.843 -1.895 3.362) 7.002 4.472 ( -7.391 -8.338 -1.345) 11.223 4.492 ( -4.797 4.389 -6.168) 8.962 4.618 ( 5.777 -0.545 -2.569) 6.346 4.709 ( 1.943 0.124 1.799) 2.651 4.894 ( -2.401 -4.653 3.527) 6.313 4.928 ( 0.485 -0.680 2.395) 2.536 5.026 ( -2.265 4.337 5.289) 7.205 5.159 ( 1.603 -3.490 2.076) 4.366 5.227 ( 0.491 1.670 0.247) 1.758 5.249 ( -3.664 0.309 -5.564) 6.669 5.323 ( -0.426 -4.483 2.075) 4.958 5.392 ( -4.693 0.224 -3.860) 6.081 5.456 ( 0.117 10.004 -0.454) 10.015 5.498 ( -2.694 5.869 -0.285) 6.464 5.531 ( 2.014 3.451 -0.346) 4.011 5.576 ( 1.257 1.137 2.258) 2.823 5.628 ( 1.434 3.556 -1.370) 4.072 5.693 ( 6.192 -1.330 -2.455) 6.792 5.795 ( -1.238 0.090 3.467) 3.682 5.846 ( 0.337 1.681 3.993) 4.345 5.946 ( 0.765 -3.298 -3.056) 4.561 5.998 ( 0.063 1.536 1.611) 2.227 6.015 ( -1.443 0.559 -0.587) 1.655 6.060 ( 2.094 3.804 0.874) 4.429 6.211 ( 0.145 0.405 0.525) 0.679 6.242 ( 0.642 -7.849 -0.066) 7.875 6.319 ( 3.949 -0.290 -0.056) 3.960 6.480 ( 5.986 -0.299 -2.260) 6.406 6.492 ( 2.374 -2.301 -0.120) 3.309 6.554 ( 1.695 -0.637 0.217) 1.824 6.594 ( -0.219 -0.962 -1.332) 1.658 6.712 ( -0.012 -3.216 -2.224) 3.910 6.791 ( -7.508 3.261 0.321) 8.192 6.899 ( -0.505 1.727 5.157) 5.462 6.943 ( 2.822 6.030 -1.547) 6.835 6.963 ( -1.931 2.798 2.450) 4.190 7.046 ( -1.754 -0.273 -3.779) 4.175 7.116 ( -4.780 5.750 -2.460) 7.872 7.219 ( -2.235 8.680 -0.432) 8.973 7.292 ( -2.243 2.878 -1.026) 3.791 7.389 ( 0.149 4.917 3.603) 6.097 7.489 ( 1.543 3.762 -0.029) 4.066 7.551 ( -2.680 1.051 3.340) 4.410 7.575 ( 1.025 5.687 -1.013) 5.866 7.813 ( 0.695 0.930 -4.894) 5.029 7.859 ( -0.942 2.213 3.700) 4.413 7.929 ( -0.028 3.085 0.224) 3.094 7.957 ( 2.075 5.379 -6.384) 8.602 8.040 ( 3.422 2.775 -0.964) 4.510 8.101 ( -2.426 -0.505 -2.014) 3.193 8.148 ( -1.366 5.144 1.624) 5.564 8.241 ( 2.746 5.853 6.781) 9.369 8.280 ( 0.299 0.324 -3.651) 3.677 8.380 ( 4.209 3.096 0.602) 5.260 8.433 ( 9.420 5.648 1.815) 11.132 8.572 ( -4.397 -5.604 2.398) 7.516 8.736 ( -2.963 2.239 1.229) 3.912 8.754 ( -2.991 5.654 -6.538) 9.147 8.798 ( -1.572 11.705 -3.489) 12.315 8.898 ( 3.948 5.880 -3.137) 7.746 8.972 ( 0.512 5.994 3.493) 6.957 9.167 ( -3.827 1.689 2.644) 4.949 9.300 ( 3.279 -0.827 8.311) 8.972 9.491 ( 4.101 2.952 -3.888) 6.375 9.580 ( -1.011 12.747 2.053) 12.950 9.764 ( -0.972 0.412 -4.152) 4.284 9.822 ( -1.269 2.119 3.075) 3.944 9.924 ( -3.527 5.028 3.296) 6.971 10.032 ( 0.896 10.382 -3.735) 11.070 10.061 ( 0.093 -1.886 -3.250) 3.759 10.182 ( 1.114 11.689 6.816) 13.577 10.484 ( 6.312 9.766 -4.376) 12.425 10.703 ( -5.723 12.264 4.070) 14.133 10.769 ( -0.380 7.177 -3.841) 8.149 10.937 ( -0.644 1.991 5.595) 5.973 11.241 ( 7.736 0.001 -6.603) 10.171 11.380 ( 0.403 -2.347 -1.447) 2.786 11.479 ( -9.567 -3.423 1.383) 10.255 11.692 ( -2.244 -2.697 2.217) 4.150 11.833 ( 1.618 0.704 -0.988) 2.022 12.039 ( 2.258 -0.073 -3.601) 4.251 12.148 ( -1.209 -2.193 -0.533) 2.561 12.635 ( 3.720 -3.603 0.255) 5.185 12.685 ( -1.010 -5.177 8.048) 9.623 12.871 ( 3.057 -10.028 -4.732) 11.502 12.951 ( 2.690 -9.047 -0.842) 9.476 13.458 ( -0.714 3.529 1.413) 3.868 13.548 ( -2.614 2.879 2.828) 4.808 13.614 ( 1.697 4.952 -1.686) 5.499 13.624 ( 0.911 1.031 -3.555) 3.812 14.290 ( -0.058 2.727 0.071) 2.728 14.411 ( -0.455 -2.769 -3.258) 4.300 14.709 ( 0.435 -2.605 4.277) 5.026 14.778 ( 7.980 -0.409 7.811) 11.174 14.952 ( -9.240 -1.293 2.543) 9.670 15.092 ( -1.870 -1.823 -2.472) 3.596 15.221 ( -3.537 6.008 -2.498) 7.406 15.532 ( -2.350 6.059 -11.113) 12.874 15.709 ( -6.813 2.175 4.781) 8.602 15.770 ( 3.593 1.591 1.825) 4.333 15.995 ( 3.842 0.211 3.445) 5.164 16.116 ( 0.248 7.016 2.078) 7.322 16.259 ( 1.820 -1.598 0.204) 2.431 16.316 ( -2.569 6.021 -0.975) 6.619 16.520 ( 1.453 8.843 -2.494) 9.302 16.739 ( -5.369 5.240 -5.956) 9.579 16.959 ( 4.078 8.372 1.553) 9.441 17.049 ( -2.510 3.140 -0.031) 4.020 17.196 ( 3.409 0.701 2.442) 4.251 17.291 ( -1.684 6.109 -0.241) 6.341 18.430 ( 0.720 2.423 0.007) 2.528 18.478 ( -1.797 6.623 0.429) 6.876 18.589 ( 1.413 -12.138 0.282) 12.223 18.671 ( 0.938 -13.736 -2.340) 13.966 19.060 ( -3.264 10.286 3.709) 11.411 19.242 ( -0.082 7.772 -3.825) 8.663 20.529 ( 0.596 -8.405 0.490) 8.440 20.544 ( 0.528 -9.222 -0.105) 9.238 ======================= Grid point 58 (29/55) ======================= q-point: (-0.40 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -8.300 13.715 10.720) 19.285 1.375 ( -3.216 -2.308 3.336) 5.177 1.460 ( -8.088 1.714 -0.478) 8.282 1.552 ( -12.732 6.477 -1.883) 14.409 1.660 ( 1.013 4.449 -0.892) 4.649 1.693 ( -2.248 -1.723 -0.392) 2.859 1.732 ( -0.766 2.866 -2.736) 4.036 1.829 ( 5.194 -0.955 0.374) 5.294 1.877 ( 2.387 6.944 -4.734) 8.737 1.946 ( -4.714 7.006 3.299) 9.066 1.967 ( -0.346 -1.029 -0.777) 1.335 2.070 ( 0.159 6.018 6.404) 8.789 2.089 ( -3.958 4.910 0.245) 6.312 2.192 ( -7.392 10.208 -7.222) 14.526 2.252 ( -3.490 -0.736 3.128) 4.744 2.267 ( -0.679 6.807 -5.156) 8.567 2.298 ( 3.304 -1.786 2.762) 4.662 2.321 ( 3.506 2.709 -0.507) 4.460 2.412 ( -4.919 1.643 -0.199) 5.190 2.443 ( 2.251 1.480 -1.063) 2.896 2.509 ( 2.186 -3.718 -1.024) 4.433 2.575 ( -1.028 0.889 -2.775) 3.090 2.601 ( 0.087 -7.464 -1.461) 7.606 2.637 ( -0.005 4.199 -0.220) 4.205 2.676 ( -1.441 2.483 -0.103) 2.872 2.710 ( -6.033 2.561 0.130) 6.555 2.737 ( -2.308 2.120 -3.106) 4.413 2.836 ( -3.071 -0.093 -0.659) 3.142 2.852 ( -5.603 1.367 -0.442) 5.784 2.912 ( -0.361 -1.247 -3.238) 3.488 2.948 ( 1.711 -2.089 2.156) 3.456 3.015 ( 1.914 -6.308 -2.243) 6.963 3.131 ( 1.458 -5.119 5.067) 7.349 3.207 ( 5.417 -2.730 3.306) 6.908 3.232 ( -1.831 -2.812 -0.810) 3.452 3.266 ( 0.150 -0.902 0.156) 0.927 3.381 ( 4.914 -2.297 -0.845) 5.490 3.431 ( 0.749 -6.752 2.693) 7.308 3.441 ( 6.704 -1.176 3.644) 7.721 3.617 ( -3.581 -6.440 -0.239) 7.373 3.717 ( 2.995 1.329 6.279) 7.083 3.822 ( -3.552 -2.639 -5.738) 7.246 3.919 ( -0.349 -3.378 -1.797) 3.842 3.922 ( -4.409 -9.282 3.705) 10.923 3.970 ( -0.418 1.002 -1.261) 1.664 3.985 ( 2.717 -4.582 0.421) 5.344 4.111 ( 6.581 2.063 2.566) 7.359 4.176 ( -1.478 -4.566 0.494) 4.824 4.203 ( 1.817 3.556 -6.599) 7.713 4.291 ( 5.341 1.971 -3.687) 6.783 4.345 ( 5.796 4.019 10.383) 12.552 4.453 ( 2.361 0.226 -4.886) 5.432 4.631 ( -5.188 -3.641 -0.437) 6.353 4.747 ( 8.029 -4.980 -2.832) 9.863 4.939 ( -5.115 4.549 5.749) 8.939 4.969 ( 1.266 -0.831 5.847) 6.039 5.043 ( -7.342 -6.123 0.864) 9.599 5.107 ( 0.166 -0.957 -0.915) 1.334 5.159 ( 0.561 -0.573 0.950) 1.243 5.256 ( 3.244 -3.372 -0.657) 4.725 5.297 ( 2.587 -0.314 -1.325) 2.924 5.338 ( -3.409 1.753 -2.398) 4.521 5.461 ( -0.026 9.315 1.537) 9.441 5.475 ( 3.064 6.977 -0.774) 7.659 5.536 ( -3.595 0.863 1.485) 3.984 5.602 ( -2.828 0.473 -3.894) 4.835 5.628 ( 0.524 5.163 -3.033) 6.011 5.735 ( 0.714 4.290 4.565) 6.305 5.776 ( -2.133 -4.093 3.293) 5.670 5.858 ( -1.272 1.193 1.357) 2.210 5.899 ( 1.990 -2.965 -4.291) 5.582 6.041 ( 1.264 -1.901 -1.441) 2.700 6.050 ( 2.071 5.073 4.250) 6.934 6.078 ( -2.027 1.449 0.463) 2.534 6.191 ( -4.133 -5.189 -1.259) 6.752 6.252 ( 1.994 -3.376 2.450) 4.623 6.358 ( -3.578 -1.310 -1.023) 3.945 6.429 ( -3.733 -2.434 -0.732) 4.516 6.466 ( -1.155 -1.636 -2.842) 3.477 6.546 ( -8.397 1.251 0.696) 8.518 6.619 ( 2.631 -1.652 -1.244) 3.346 6.688 ( 5.220 1.790 -1.006) 5.610 6.836 ( 6.295 1.315 3.105) 7.141 6.874 ( -3.696 2.875 2.530) 5.322 6.959 ( -2.130 0.647 -1.518) 2.695 7.018 ( 4.603 -3.198 -5.586) 7.913 7.037 ( 4.524 6.113 2.348) 7.959 7.090 ( 4.097 7.853 -2.033) 9.088 7.194 ( -0.106 7.121 0.901) 7.179 7.257 ( -0.131 3.538 -2.455) 4.308 7.392 ( -2.081 4.312 3.810) 6.119 7.444 ( -3.001 5.506 0.860) 6.329 7.582 ( 2.115 7.632 1.395) 8.042 7.620 ( 2.519 4.304 1.469) 5.198 7.745 ( -3.258 -0.042 -1.921) 3.783 7.879 ( 0.081 4.405 -2.804) 5.222 7.912 ( 0.586 1.238 -1.980) 2.407 7.994 ( -4.618 -2.382 -1.310) 5.359 8.008 ( 4.548 7.568 -2.658) 9.221 8.060 ( -2.526 -0.526 -0.563) 2.641 8.149 ( -0.453 3.764 1.920) 4.250 8.246 ( -2.002 0.980 1.069) 2.472 8.325 ( 0.509 4.788 7.290) 8.737 8.443 ( 0.179 0.089 0.923) 0.944 8.487 ( -2.588 2.336 -1.635) 3.851 8.535 ( -0.130 0.642 -3.921) 3.975 8.651 ( -2.758 3.081 -5.062) 6.536 8.744 ( 0.999 7.476 -0.513) 7.560 8.768 ( -1.451 3.775 2.974) 5.020 8.944 ( 4.758 11.627 -3.761) 13.114 8.979 ( -0.564 3.684 3.314) 4.987 9.170 ( 4.433 3.259 1.768) 5.780 9.348 ( -3.296 -2.314 5.951) 7.185 9.556 ( -0.102 6.231 -2.621) 6.761 9.583 ( 2.083 7.887 2.230) 8.457 9.746 ( -0.261 8.854 -4.544) 9.955 9.828 ( 0.309 3.603 3.536) 5.058 9.880 ( -2.419 3.498 3.674) 5.620 10.020 ( -0.935 -1.579 -4.350) 4.721 10.053 ( 3.291 7.163 -1.440) 8.013 10.238 ( -1.393 7.342 7.067) 10.286 10.459 ( -3.719 9.329 -6.408) 11.913 10.611 ( -3.560 11.600 1.570) 12.235 10.816 ( 6.217 11.602 -1.423) 13.239 10.934 ( -4.949 -0.041 5.561) 7.444 11.270 ( -2.240 2.623 -7.123) 7.914 11.348 ( 0.679 -1.697 0.365) 1.864 11.486 ( 9.833 -3.610 -0.078) 10.474 11.756 ( 3.364 -2.563 4.224) 5.977 11.835 ( -0.344 0.083 -1.935) 1.967 12.013 ( -3.759 -2.522 -2.030) 4.961 12.093 ( 0.742 0.075 -3.173) 3.260 12.614 ( -5.168 -5.770 6.773) 10.290 12.749 ( -4.909 -4.705 0.968) 6.868 12.874 ( -2.814 -10.126 -3.002) 10.930 12.933 ( 4.223 -11.058 -1.701) 11.958 13.471 ( -0.403 3.251 2.067) 3.874 13.516 ( -1.128 4.261 1.087) 4.540 13.606 ( -0.155 4.125 -2.400) 4.775 13.652 ( 2.476 1.651 -1.750) 3.452 14.334 ( 3.813 2.246 1.065) 4.552 14.396 ( 0.683 -2.809 -4.768) 5.576 14.753 ( -4.568 -5.747 8.069) 10.909 14.850 ( 0.175 1.795 10.632) 10.784 14.980 ( -4.276 0.495 -6.898) 8.131 15.018 ( 10.238 -0.775 4.520) 11.218 15.208 ( 2.998 6.032 -2.962) 7.359 15.389 ( -1.589 2.913 -11.699) 12.160 15.649 ( -1.617 6.998 3.215) 7.869 15.884 ( 4.674 0.470 1.017) 4.806 16.025 ( -2.626 -0.044 4.132) 4.896 16.126 ( 0.331 3.915 2.184) 4.495 16.252 ( -2.444 7.897 -2.315) 8.585 16.336 ( 2.108 2.127 0.325) 3.012 16.485 ( -1.514 12.019 1.084) 12.163 16.619 ( -2.988 0.472 -7.698) 8.271 17.026 ( 2.628 5.464 -0.380) 6.075 17.075 ( 5.059 8.884 -0.162) 10.225 17.175 ( -6.799 0.777 2.799) 7.393 17.305 ( 2.275 4.266 0.014) 4.835 18.445 ( -0.813 6.761 -0.676) 6.844 18.460 ( 1.282 3.127 1.170) 3.576 18.598 ( -0.992 -12.247 0.413) 12.294 18.671 ( 0.929 -15.323 -2.569) 15.564 19.062 ( 0.732 10.581 3.922) 11.308 19.236 ( 2.438 7.500 -4.046) 8.864 20.532 ( -0.702 -8.809 0.522) 8.852 20.544 ( -0.434 -9.073 -0.137) 9.085 ======================= Grid point 59 (30/55) ======================= q-point: (-0.20 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -18.500 4.462 6.356) 20.064 1.142 ( -11.942 17.253 7.976) 22.448 1.262 ( -13.054 4.382 -4.029) 14.347 1.347 ( -4.845 5.860 0.375) 7.612 1.587 ( -6.040 0.449 1.929) 6.357 1.626 ( -4.080 -0.678 -1.320) 4.342 1.673 ( -7.212 -1.352 -4.392) 8.552 1.781 ( -5.268 9.040 -4.172) 11.263 1.819 ( -3.168 2.458 -1.226) 4.193 1.934 ( -1.485 5.900 1.384) 6.239 1.984 ( -0.081 8.903 2.187) 9.168 1.997 ( 2.310 6.916 -2.429) 7.685 2.088 ( -1.243 0.921 6.764) 6.938 2.116 ( -0.711 11.460 1.160) 11.540 2.220 ( -1.556 -0.349 2.092) 2.631 2.260 ( 3.341 5.940 0.719) 6.853 2.281 ( -3.776 6.873 -2.849) 8.343 2.334 ( 2.196 -0.500 -0.106) 2.254 2.405 ( -2.242 4.530 -3.474) 6.133 2.445 ( -0.520 8.431 2.376) 8.775 2.510 ( 2.894 -4.183 -8.141) 9.600 2.521 ( 0.112 -0.625 -0.876) 1.082 2.552 ( -1.446 -6.400 -0.597) 6.589 2.611 ( -1.601 -0.121 -1.293) 2.061 2.661 ( -5.259 1.575 0.939) 5.569 2.716 ( -0.817 4.206 3.022) 5.243 2.751 ( 2.368 -7.101 3.930) 8.454 2.759 ( -1.078 -3.828 -3.635) 5.388 2.799 ( -0.852 1.598 2.248) 2.887 2.899 ( 2.680 4.626 -1.611) 5.584 2.968 ( -1.206 -0.606 1.911) 2.340 3.039 ( 1.490 -7.182 -3.240) 8.018 3.143 ( -4.622 -5.892 2.442) 7.877 3.213 ( -3.377 -3.121 -1.623) 4.876 3.223 ( 0.212 -5.005 3.218) 5.954 3.282 ( 3.313 -8.504 -1.745) 9.292 3.442 ( 2.562 -3.775 0.853) 4.641 3.495 ( 2.134 -7.030 -0.155) 7.348 3.530 ( -0.077 -5.586 -0.962) 5.669 3.622 ( 4.532 -0.538 3.723) 5.890 3.688 ( -3.651 -1.549 2.027) 4.454 3.736 ( -4.087 -4.309 -6.804) 9.031 3.844 ( -5.598 -7.316 2.044) 9.436 3.892 ( 1.587 0.845 0.321) 1.826 4.012 ( 2.772 -4.240 -0.407) 5.082 4.092 ( 2.399 1.293 -6.898) 7.417 4.108 ( -1.022 3.499 -2.277) 4.298 4.150 ( 0.819 1.948 -4.328) 4.816 4.265 ( 4.645 1.128 3.758) 6.080 4.422 ( 8.844 1.976 0.449) 9.073 4.471 ( 0.212 -1.586 2.034) 2.588 4.573 ( -0.093 -4.755 -0.401) 4.773 4.650 ( 11.298 -4.451 7.985) 14.533 4.791 ( -2.384 1.501 3.108) 4.195 4.850 ( -4.993 -0.431 -0.067) 5.012 4.976 ( -2.861 -4.231 -2.380) 5.635 5.013 ( 4.772 3.746 3.282) 6.898 5.074 ( 1.613 -6.825 0.509) 7.032 5.229 ( -2.560 -1.805 -2.217) 3.837 5.264 ( -1.359 2.231 0.044) 2.613 5.325 ( 1.865 0.752 4.029) 4.503 5.360 ( 4.879 4.769 0.430) 6.836 5.432 ( -2.687 2.797 1.318) 4.096 5.452 ( 0.779 3.635 -1.260) 3.925 5.511 ( 0.289 3.956 -2.528) 4.704 5.587 ( -3.853 1.158 -0.890) 4.120 5.627 ( 3.178 -2.200 2.555) 4.634 5.742 ( 0.923 1.495 7.274) 7.484 5.797 ( -2.594 2.645 -0.151) 3.707 5.875 ( 1.301 2.241 1.156) 2.837 5.915 ( 5.203 2.129 -7.521) 9.390 5.967 ( -6.901 -1.169 -3.727) 7.929 6.031 ( -1.184 2.130 0.997) 2.633 6.088 ( -0.836 4.411 1.027) 4.605 6.114 ( -4.991 1.024 -0.693) 5.142 6.165 ( -5.400 -2.591 -0.588) 6.018 6.298 ( -4.103 0.420 -0.626) 4.172 6.363 ( -4.092 -0.599 0.471) 4.162 6.411 ( -2.402 -3.761 -0.892) 4.550 6.504 ( 2.661 2.441 3.113) 4.768 6.585 ( -4.437 -0.610 0.401) 4.497 6.754 ( 0.451 -0.145 -5.068) 5.090 6.800 ( -0.894 6.148 1.306) 6.349 6.932 ( -0.651 0.677 -1.629) 1.880 6.993 ( 4.496 0.273 2.573) 5.188 7.082 ( 4.811 -2.427 -1.774) 5.673 7.123 ( 4.962 3.360 0.478) 6.011 7.168 ( 5.470 8.695 -2.124) 10.490 7.246 ( 2.420 6.790 1.147) 7.299 7.319 ( 7.020 -0.108 2.499) 7.452 7.392 ( 0.576 1.637 1.815) 2.511 7.428 ( 0.910 6.813 -0.551) 6.896 7.601 ( -2.399 7.285 1.416) 7.800 7.660 ( -0.977 5.454 3.433) 6.518 7.705 ( 2.357 0.085 -4.075) 4.708 7.781 ( -9.181 -6.573 0.193) 11.293 7.872 ( -1.207 -2.254 1.348) 2.891 7.959 ( 0.572 8.834 -3.051) 9.363 7.994 ( -2.640 1.061 -0.588) 2.905 8.059 ( -2.409 5.160 0.033) 5.695 8.145 ( 3.024 6.704 -2.299) 7.705 8.241 ( -1.458 2.545 5.482) 6.217 8.341 ( -2.115 2.084 1.228) 3.213 8.372 ( -5.621 3.534 -3.852) 7.676 8.416 ( -1.198 -2.126 -2.251) 3.320 8.542 ( 2.399 5.107 1.591) 5.863 8.578 ( -2.907 1.507 -0.082) 3.276 8.706 ( -0.023 1.716 1.185) 2.086 8.829 ( 0.987 2.941 2.022) 3.703 8.999 ( 2.197 3.658 -3.292) 5.389 9.017 ( 3.631 11.359 -2.181) 12.123 9.244 ( -3.380 0.312 2.700) 4.337 9.312 ( 0.072 -1.983 -3.165) 3.736 9.528 ( 0.564 6.294 -1.911) 6.602 9.634 ( 1.593 6.085 2.845) 6.904 9.685 ( 0.184 13.329 -2.418) 13.547 9.839 ( -3.121 0.545 3.108) 4.438 9.896 ( 0.185 3.461 2.897) 4.517 10.001 ( 1.484 -0.528 -1.696) 2.314 10.080 ( 0.503 4.502 -1.187) 4.683 10.239 ( -2.820 3.943 3.403) 5.923 10.346 ( -2.082 11.995 -3.719) 12.729 10.628 ( 1.692 9.229 4.905) 10.587 10.795 ( -9.011 4.203 6.101) 11.665 10.956 ( 6.122 7.837 -3.195) 10.445 11.152 ( -3.267 3.693 -6.252) 7.963 11.464 ( 9.223 2.178 -0.707) 9.503 11.680 ( 7.870 -4.752 0.518) 9.208 11.763 ( -0.909 -2.764 -1.987) 3.524 11.839 ( 0.381 -0.398 -2.041) 2.114 11.971 ( 0.590 2.008 0.108) 2.096 12.094 ( -1.905 -2.069 2.936) 4.066 12.494 ( -10.851 -3.232 -0.203) 11.324 12.615 ( -2.558 -5.366 4.282) 7.326 12.787 ( -5.725 -8.930 -1.251) 10.681 13.004 ( 2.606 -10.087 -3.047) 10.855 13.478 ( 0.568 3.310 1.442) 3.655 13.523 ( 0.400 4.957 1.169) 5.109 13.589 ( 0.547 3.123 -2.361) 3.953 13.670 ( 0.290 1.542 -1.247) 2.004 14.365 ( 0.870 -0.893 -4.220) 4.401 14.422 ( 3.595 0.544 -0.593) 3.684 14.688 ( -6.417 -4.421 4.401) 8.949 14.844 ( -1.680 -0.147 -2.035) 2.643 14.972 ( 1.233 7.633 -0.703) 7.764 15.166 ( 4.393 -0.764 -3.804) 5.861 15.356 ( 6.582 3.135 3.951) 8.292 15.389 ( 8.881 -4.192 5.371) 11.193 15.671 ( 1.759 6.624 -0.985) 6.924 15.911 ( -2.600 5.428 0.619) 6.050 15.983 ( -4.870 0.289 3.642) 6.089 16.119 ( -2.293 0.625 0.678) 2.471 16.227 ( 1.874 5.432 -0.879) 5.813 16.348 ( -1.107 5.531 2.437) 6.145 16.443 ( -2.394 13.869 -2.901) 14.370 16.597 ( 5.334 -6.697 -0.298) 8.566 17.006 ( -8.206 -1.561 -0.139) 8.354 17.096 ( 1.376 7.380 -0.492) 7.524 17.182 ( 5.161 10.923 0.369) 12.087 17.329 ( 0.339 7.212 -0.621) 7.246 18.436 ( 0.864 -1.656 -0.902) 2.074 18.501 ( 1.192 3.708 2.426) 4.589 18.560 ( -2.597 -10.849 -0.445) 11.164 18.672 ( 1.363 -8.301 -3.361) 9.058 19.123 ( 2.133 8.356 3.149) 9.181 19.275 ( 4.199 7.514 -4.245) 9.598 20.513 ( -1.461 -8.803 0.705) 8.951 20.529 ( -0.821 -8.914 -0.242) 8.955 ======================= Grid point 60 (31/55) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -3.526 6.547 4.892) 8.901 1.163 ( 1.979 1.186 -2.431) 3.352 1.259 ( -3.845 6.521 3.835) 8.486 1.471 ( -2.656 -1.333 -4.261) 5.195 1.570 ( 1.794 9.858 1.635) 10.152 1.604 ( -0.261 6.138 2.866) 6.779 1.658 ( 2.878 5.091 2.482) 6.354 1.743 ( -0.737 1.057 -6.997) 7.115 1.809 ( -2.147 3.003 1.702) 4.065 1.918 ( 0.623 -2.800 -0.872) 2.999 2.021 ( 2.933 -1.300 0.958) 3.348 2.047 ( -2.996 0.024 2.768) 4.079 2.115 ( 1.134 -4.626 -0.086) 4.764 2.236 ( -2.928 -1.810 0.225) 3.450 2.269 ( -1.963 0.423 0.170) 2.015 2.286 ( 2.332 2.949 1.043) 3.902 2.329 ( -0.297 -1.849 0.424) 1.920 2.395 ( -1.053 2.726 -4.966) 5.762 2.422 ( 0.460 0.011 -3.135) 3.169 2.469 ( 1.072 -2.007 -0.389) 2.308 2.472 ( 3.893 -1.763 0.381) 4.291 2.554 ( 2.674 -0.393 -0.321) 2.721 2.582 ( 1.845 -0.760 0.477) 2.051 2.595 ( 0.518 3.139 3.188) 4.503 2.634 ( -0.395 -2.072 -2.259) 3.091 2.662 ( -1.504 4.375 1.603) 4.896 2.736 ( 0.518 0.285 -2.642) 2.708 2.782 ( 1.933 -0.354 -1.423) 2.426 2.827 ( 0.278 2.863 2.025) 3.518 2.905 ( -4.242 -1.610 -1.711) 4.849 2.953 ( 2.159 -3.695 -2.818) 5.124 3.017 ( 2.508 1.652 -4.421) 5.345 3.096 ( -0.786 0.721 3.222) 3.394 3.120 ( -2.477 -1.608 5.893) 6.591 3.176 ( 0.380 -3.510 2.574) 4.369 3.322 ( -2.165 4.838 -0.592) 5.333 3.373 ( -2.158 2.059 -2.601) 3.957 3.406 ( 3.623 -3.466 -3.276) 5.989 3.521 ( 2.951 -1.536 4.041) 5.234 3.590 ( -3.150 -2.021 2.231) 4.357 3.616 ( -1.270 1.738 1.036) 2.389 3.689 ( -1.110 2.038 4.535) 5.094 3.727 ( 4.040 -0.524 6.483) 7.657 3.873 ( -1.411 -2.581 -3.641) 4.681 3.912 ( -0.949 -5.898 3.172) 6.764 4.032 ( 0.012 -0.506 0.531) 0.734 4.160 ( 2.493 1.057 -7.598) 8.066 4.180 ( -4.916 5.336 -7.928) 10.747 4.303 ( 0.715 -3.900 0.273) 3.975 4.435 ( -1.793 2.401 -5.385) 6.162 4.488 ( 0.936 -3.862 2.594) 4.745 4.552 ( -0.094 -3.010 -1.177) 3.233 4.716 ( -3.708 0.606 -0.925) 3.869 4.742 ( -1.943 -1.324 -1.885) 3.013 4.821 ( -6.375 1.152 -1.404) 6.628 4.937 ( 8.562 1.106 -4.420) 9.699 5.008 ( 7.207 1.087 9.147) 11.695 5.177 ( -4.780 -1.235 5.426) 7.335 5.253 ( 1.479 -0.667 0.974) 1.892 5.273 ( 5.311 0.159 5.131) 7.387 5.327 ( -3.606 -0.955 -2.910) 4.731 5.377 ( -5.932 0.165 3.759) 7.025 5.446 ( 4.577 -1.468 0.125) 4.809 5.464 ( -1.849 1.196 -2.495) 3.328 5.552 ( 4.071 -6.283 3.956) 8.467 5.576 ( -0.652 -0.095 -0.836) 1.064 5.624 ( 0.623 -0.248 -1.399) 1.552 5.740 ( -2.977 1.083 1.368) 3.451 5.834 ( -1.939 -9.048 -1.746) 9.417 5.895 ( 3.113 1.994 1.588) 4.024 5.929 ( -2.942 -4.027 -3.804) 6.273 6.003 ( -2.659 1.282 -2.043) 3.590 6.011 ( 0.287 5.330 -0.587) 5.370 6.123 ( 0.659 5.357 1.252) 5.541 6.151 ( -4.165 9.562 -0.875) 10.466 6.186 ( 8.131 5.782 0.385) 9.985 6.298 ( 2.714 3.238 1.736) 4.568 6.343 ( -0.124 4.221 -0.061) 4.223 6.420 ( 1.431 1.783 2.728) 3.560 6.500 ( -6.191 1.038 -0.657) 6.311 6.685 ( 3.973 9.124 -0.387) 9.959 6.729 ( -3.505 3.148 -3.424) 5.824 6.907 ( 2.234 1.340 -1.235) 2.883 6.950 ( 1.138 3.225 -1.873) 3.899 6.986 ( 0.392 -2.631 1.642) 3.126 7.138 ( -0.895 -3.271 -0.704) 3.464 7.236 ( 0.710 -1.185 3.830) 4.071 7.284 ( -1.026 2.166 2.849) 3.723 7.373 ( -0.963 -4.581 -2.596) 5.353 7.412 ( -2.077 -1.085 2.976) 3.787 7.446 ( -2.653 -0.793 -0.796) 2.881 7.485 ( 4.924 7.462 -1.759) 9.111 7.552 ( 2.349 0.764 -0.984) 2.659 7.603 ( -3.652 1.079 -0.322) 3.821 7.736 ( 2.185 1.391 -0.760) 2.700 7.768 ( 0.919 -1.957 0.163) 2.168 7.873 ( -1.843 1.503 6.131) 6.576 7.952 ( 0.617 -4.979 -1.679) 5.291 8.073 ( -0.342 6.473 1.239) 6.600 8.150 ( 0.235 6.031 0.936) 6.108 8.250 ( 3.346 1.930 -3.477) 5.197 8.270 ( -0.019 -1.664 -1.198) 2.050 8.290 ( -3.336 8.113 -3.380) 9.401 8.325 ( -1.238 4.187 -4.449) 6.234 8.500 ( -2.110 -3.299 2.455) 4.622 8.564 ( 1.512 6.018 3.285) 7.021 8.708 ( 4.564 0.879 6.805) 8.240 8.816 ( -0.025 8.620 3.906) 9.464 8.878 ( 0.763 -0.156 -1.805) 1.965 9.055 ( -1.155 5.624 -2.644) 6.321 9.126 ( -2.992 1.081 -0.885) 3.302 9.248 ( 0.420 5.656 -7.477) 9.384 9.375 ( -0.507 10.223 -0.237) 10.238 9.571 ( -1.820 1.234 -3.545) 4.171 9.696 ( 0.362 -0.598 2.856) 2.941 9.754 ( -0.141 -2.430 -0.881) 2.589 9.892 ( -1.123 -1.601 3.277) 3.816 9.989 ( 2.001 0.086 4.367) 4.804 10.010 ( 1.300 5.888 -2.263) 6.441 10.156 ( -1.460 4.584 -4.006) 6.261 10.401 ( 0.551 16.104 4.880) 16.836 10.547 ( -0.527 10.271 -0.333) 10.290 10.811 ( 2.266 6.180 5.249) 8.419 10.896 ( 0.326 6.259 4.323) 7.614 11.096 ( -3.279 4.204 -5.506) 7.664 11.117 ( 0.932 1.800 -6.114) 6.442 11.601 ( -1.630 -1.059 -2.871) 3.467 11.653 ( 0.639 -5.304 -3.719) 6.509 11.769 ( 1.439 -0.261 1.109) 1.835 11.833 ( 1.063 2.977 -1.775) 3.625 11.970 ( -0.611 0.387 2.892) 2.981 12.060 ( -0.716 1.127 0.692) 1.504 12.471 ( 2.127 0.449 5.074) 5.520 12.497 ( -0.691 -5.695 2.613) 6.304 12.553 ( 0.371 -6.797 1.199) 6.912 12.801 ( -1.020 -9.133 -4.669) 10.308 13.573 ( 0.981 0.644 0.358) 1.227 13.576 ( 0.197 2.993 0.343) 3.019 13.675 ( -0.916 6.818 1.299) 7.001 13.741 ( 0.349 5.532 -1.118) 5.654 14.334 ( 2.073 -2.832 0.503) 3.546 14.465 ( 0.936 -3.349 6.171) 7.083 14.533 ( -5.259 1.643 -8.440) 10.079 14.793 ( -1.833 -1.622 -7.143) 7.551 15.117 ( 1.768 4.033 1.449) 4.636 15.152 ( 0.231 -0.015 -0.390) 0.454 15.433 ( -3.324 -1.496 2.992) 4.716 15.509 ( 7.859 -7.165 8.793) 13.799 15.738 ( -1.821 4.231 -2.072) 5.050 15.904 ( -3.618 -1.497 -2.909) 4.878 15.946 ( 0.938 3.407 1.837) 3.982 16.063 ( -1.390 -0.099 -3.314) 3.595 16.416 ( 2.297 6.130 0.475) 6.563 16.434 ( -1.012 4.750 1.045) 4.968 16.610 ( -6.423 7.302 2.264) 9.985 16.682 ( 9.626 1.378 -4.301) 10.632 17.013 ( -2.151 15.286 5.880) 16.519 17.205 ( 0.533 7.104 -4.087) 8.214 17.507 ( -1.530 17.211 2.115) 17.408 17.593 ( 0.834 15.360 -1.769) 15.484 18.210 ( 0.386 -15.845 0.511) 15.858 18.241 ( -0.631 -16.406 -0.861) 16.441 18.456 ( -0.444 -9.687 2.297) 9.965 18.557 ( 0.974 -10.592 -2.127) 10.847 19.409 ( -1.272 17.166 2.072) 17.337 19.523 ( 1.716 13.590 -2.873) 13.996 20.312 ( -0.040 -11.394 0.223) 11.397 20.318 ( -0.061 -12.016 -0.011) 12.016 ======================= Grid point 61 (32/55) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 6.476 2.772 4.427) 8.320 1.259 ( 4.944 -4.231 1.837) 6.761 1.346 ( 10.110 6.984 0.642) 12.304 1.449 ( 2.908 6.544 0.382) 7.171 1.602 ( 2.980 2.094 1.459) 3.923 1.680 ( 3.958 3.851 1.017) 5.615 1.709 ( 2.784 0.331 -5.140) 5.855 1.826 ( 6.415 -1.260 2.002) 6.837 1.842 ( 4.275 3.762 -0.246) 5.700 1.946 ( 4.311 -0.290 0.211) 4.325 2.019 ( -2.313 -1.793 4.695) 5.532 2.071 ( 0.852 3.133 -2.030) 3.830 2.138 ( 0.534 -4.623 1.533) 4.900 2.183 ( -6.453 -0.223 1.982) 6.754 2.203 ( -1.088 -2.167 0.180) 2.432 2.274 ( 1.364 1.199 -1.249) 2.204 2.367 ( 3.136 2.058 -4.756) 6.057 2.396 ( 2.953 3.469 -1.745) 4.879 2.436 ( 2.290 -0.016 -1.767) 2.892 2.484 ( 1.048 -2.583 -2.444) 3.708 2.528 ( -1.239 1.555 2.024) 2.837 2.542 ( -1.072 -1.712 -1.715) 2.649 2.601 ( 1.871 2.726 -0.076) 3.307 2.621 ( 0.923 -0.056 -0.738) 1.183 2.648 ( 3.975 0.028 -2.020) 4.459 2.718 ( 2.348 0.095 2.739) 3.609 2.764 ( 2.256 -0.027 1.193) 2.552 2.798 ( 0.095 -4.744 -0.667) 4.792 2.831 ( 2.198 3.764 -2.485) 5.017 2.878 ( 2.261 0.734 0.844) 2.523 2.947 ( 0.204 -3.425 -3.914) 5.205 3.048 ( 1.071 0.204 -1.665) 1.990 3.087 ( -0.978 -2.795 1.135) 3.171 3.165 ( 0.064 -1.444 5.817) 5.994 3.210 ( 0.628 -2.759 0.046) 2.830 3.258 ( -3.071 4.399 0.375) 5.378 3.313 ( -0.561 -0.756 -0.850) 1.269 3.423 ( 1.033 -1.621 -2.687) 3.304 3.514 ( -4.645 -2.119 -0.850) 5.176 3.591 ( -1.499 16.452 5.540) 17.425 3.628 ( 0.343 -6.591 0.614) 6.629 3.739 ( 2.983 0.384 3.350) 4.502 3.784 ( 1.502 0.304 -0.486) 1.607 3.859 ( -0.687 -3.993 4.415) 5.992 3.937 ( 3.590 3.701 -1.710) 5.432 4.024 ( -1.820 -0.320 -1.248) 2.230 4.049 ( -1.064 -0.173 -3.140) 3.320 4.183 ( 1.893 2.160 -1.930) 3.460 4.321 ( -4.799 0.957 0.425) 4.912 4.331 ( -7.098 -9.087 2.513) 11.801 4.409 ( 2.471 -6.192 -3.167) 7.381 4.504 ( -11.602 9.441 0.798) 14.979 4.633 ( 1.405 -0.619 0.393) 1.585 4.728 ( 2.453 -0.889 -2.638) 3.711 4.839 ( 4.051 -3.067 1.050) 5.188 4.986 ( -5.049 -4.394 0.289) 6.699 5.069 ( -1.988 1.023 -1.521) 2.704 5.108 ( -6.788 2.501 -4.227) 8.379 5.195 ( -3.968 -0.551 1.702) 4.353 5.301 ( 4.252 -0.639 2.710) 5.083 5.322 ( 3.370 0.075 6.382) 7.218 5.394 ( -0.823 0.443 1.388) 1.673 5.474 ( 3.529 -0.980 0.709) 3.731 5.485 ( -1.556 -6.253 0.427) 6.458 5.597 ( 1.226 -3.989 -0.716) 4.234 5.611 ( -0.932 -0.777 -2.785) 3.038 5.646 ( -4.646 0.958 -2.115) 5.193 5.711 ( 2.760 -0.661 2.164) 3.569 5.771 ( 0.452 0.761 2.516) 2.667 5.856 ( -4.118 -0.825 -1.442) 4.440 5.894 ( -1.509 6.379 -1.639) 6.757 5.982 ( 2.104 -7.088 0.837) 7.441 6.008 ( 1.512 4.951 -1.149) 5.302 6.092 ( 1.744 0.791 4.620) 5.001 6.190 ( -0.447 4.940 -1.632) 5.221 6.308 ( 0.963 7.182 -1.113) 7.331 6.320 ( 2.714 5.978 -4.576) 8.003 6.403 ( 1.576 0.939 0.177) 1.843 6.444 ( 5.820 0.340 0.186) 5.833 6.490 ( 2.129 3.836 4.573) 6.337 6.610 ( -4.491 2.883 -0.148) 5.339 6.741 ( 0.417 2.265 -3.100) 3.862 6.907 ( -3.706 -1.494 -0.875) 4.090 6.952 ( -0.133 3.499 0.065) 3.502 6.981 ( -3.335 -1.899 1.346) 4.067 7.041 ( -1.522 1.483 -2.352) 3.170 7.226 ( -3.150 1.584 3.616) 5.050 7.254 ( -5.557 -0.729 -0.669) 5.645 7.336 ( -0.809 1.912 2.633) 3.353 7.365 ( -1.941 -0.424 0.037) 1.987 7.435 ( 1.645 2.135 -2.816) 3.898 7.529 ( 2.390 2.911 -1.445) 4.034 7.552 ( 1.056 4.348 0.128) 4.476 7.668 ( 5.034 -0.749 2.169) 5.533 7.758 ( -0.880 2.398 -0.656) 2.637 7.825 ( 1.518 -2.819 -0.816) 3.304 7.875 ( 2.832 1.715 3.273) 4.655 7.976 ( 1.741 -5.458 -1.095) 5.832 8.157 ( 0.481 2.764 -0.345) 2.827 8.175 ( 4.102 5.445 4.477) 8.156 8.224 ( 1.021 6.880 -3.858) 7.954 8.244 ( 0.030 2.696 -3.108) 4.114 8.282 ( 2.112 1.264 -0.359) 2.487 8.372 ( 6.582 5.919 -1.105) 8.921 8.422 ( -4.621 1.029 -0.111) 4.736 8.595 ( -2.395 1.039 2.624) 3.702 8.780 ( -0.791 0.437 1.708) 1.933 8.878 ( -0.239 0.189 -1.150) 1.190 8.929 ( 5.172 6.948 6.098) 10.593 8.986 ( -0.051 1.348 -5.459) 5.623 9.094 ( 0.317 2.579 -0.280) 2.614 9.184 ( -2.209 11.822 -1.863) 12.170 9.349 ( -2.434 7.356 2.965) 8.296 9.521 ( -0.237 -0.245 -5.639) 5.650 9.718 ( 1.154 -0.388 -0.098) 1.221 9.817 ( 3.549 5.152 4.193) 7.531 9.873 ( -1.252 1.091 0.791) 1.839 9.978 ( -2.123 -3.983 -1.904) 4.899 10.053 ( 1.024 6.176 0.074) 6.261 10.188 ( 6.050 4.198 -0.764) 7.403 10.442 ( -0.775 15.540 5.165) 16.394 10.551 ( 2.303 10.592 -2.498) 11.124 10.879 ( -0.450 6.305 1.166) 6.427 10.934 ( 0.826 6.854 6.482) 9.470 10.996 ( -1.888 0.710 -3.445) 3.992 11.124 ( 4.410 1.373 -5.099) 6.880 11.475 ( -7.963 -0.319 -1.266) 8.070 11.562 ( -7.240 -4.438 -1.484) 8.620 11.746 ( -3.879 -1.250 -1.175) 4.242 11.816 ( 0.219 0.051 -1.642) 1.658 12.023 ( 0.379 -0.041 2.290) 2.322 12.087 ( 3.941 1.904 0.641) 4.424 12.508 ( 1.588 -3.989 2.311) 4.876 12.554 ( 3.156 -4.242 0.789) 5.346 12.671 ( 6.891 -5.614 3.957) 9.729 12.734 ( -1.418 -7.276 -5.126) 9.013 13.556 ( -1.284 2.911 -0.737) 3.266 13.596 ( 0.050 1.473 0.845) 1.699 13.673 ( -0.001 6.649 1.029) 6.728 13.742 ( 0.552 6.064 -1.112) 6.190 14.362 ( -2.765 -1.794 -2.971) 4.437 14.414 ( 1.053 2.107 -0.660) 2.447 14.559 ( 2.581 -4.758 9.172) 10.650 14.680 ( -2.902 -2.918 -6.700) 7.863 15.070 ( -4.386 -1.397 -1.141) 4.742 15.116 ( -7.086 -0.250 -0.665) 7.122 15.375 ( -2.695 2.192 3.295) 4.788 15.650 ( 1.836 -4.341 -1.495) 4.945 15.719 ( 0.478 3.881 4.154) 5.705 15.826 ( -1.629 -0.482 -2.370) 2.916 15.976 ( -0.001 3.526 -0.765) 3.608 16.087 ( 5.934 0.492 1.730) 6.200 16.361 ( -4.446 5.904 -2.388) 7.767 16.477 ( -0.546 4.774 1.527) 5.042 16.551 ( 2.641 7.893 -0.047) 8.323 16.834 ( 6.018 -3.240 -1.651) 7.031 17.064 ( 3.154 16.984 4.285) 17.798 17.188 ( 0.793 8.292 -3.319) 8.967 17.446 ( -6.109 18.223 2.175) 19.342 17.558 ( -2.687 14.944 -1.607) 15.269 18.204 ( 0.215 -17.761 -0.924) 17.786 18.277 ( 3.395 -14.725 0.326) 15.115 18.435 ( -3.106 -10.439 2.241) 11.119 18.532 ( -1.928 -10.954 -2.207) 11.339 19.390 ( -1.731 18.144 1.614) 18.298 19.514 ( -0.584 14.643 -2.271) 14.830 20.322 ( 0.758 -12.000 0.127) 12.025 20.327 ( 0.871 -11.562 0.052) 11.595 ======================= Grid point 62 (33/55) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 2.648 -1.378 7.582) 8.148 1.381 ( 5.535 -6.555 -0.352) 8.587 1.485 ( 2.888 6.952 4.500) 8.771 1.587 ( 8.327 -0.481 0.555) 8.360 1.672 ( 0.807 -0.331 0.384) 0.953 1.734 ( 2.169 1.682 -1.018) 2.927 1.768 ( 3.841 0.201 -2.518) 4.597 1.827 ( -6.233 0.679 2.726) 6.837 1.885 ( 0.384 -3.193 1.634) 3.607 1.953 ( -0.568 0.789 -2.110) 2.324 2.080 ( -1.742 1.319 6.269) 6.639 2.107 ( 2.389 -3.100 -2.341) 4.561 2.116 ( -1.910 1.827 1.552) 3.065 2.179 ( 0.460 0.165 0.624) 0.792 2.201 ( 9.014 2.926 1.032) 9.533 2.336 ( 3.632 2.033 -1.344) 4.374 2.391 ( -0.468 -2.374 -0.118) 2.423 2.413 ( -0.892 2.398 2.485) 3.566 2.448 ( -1.536 -0.956 -6.193) 6.452 2.468 ( -1.162 4.036 -4.443) 6.114 2.482 ( 1.406 3.691 0.681) 4.008 2.529 ( -0.791 -2.034 -1.256) 2.518 2.625 ( 1.604 0.730 -3.834) 4.220 2.657 ( 2.214 1.959 -6.392) 7.042 2.698 ( 2.533 -1.142 2.680) 3.861 2.721 ( 2.758 -3.075 -2.963) 5.083 2.826 ( 0.198 -2.661 -2.443) 3.618 2.833 ( 2.586 -0.716 -1.754) 3.206 2.893 ( 0.269 0.647 -0.402) 0.807 2.921 ( 3.835 -1.516 0.052) 4.124 2.948 ( -2.570 -4.376 0.428) 5.093 3.001 ( 2.380 -0.204 0.705) 2.490 3.061 ( -4.515 -1.150 0.164) 4.662 3.148 ( -4.616 0.195 0.723) 4.676 3.179 ( 2.022 4.811 2.922) 5.981 3.271 ( 0.610 -1.464 2.514) 2.973 3.316 ( 0.675 1.184 -2.314) 2.685 3.411 ( -3.719 1.368 0.253) 3.971 3.446 ( 1.434 0.657 -3.754) 4.072 3.598 ( -1.974 4.778 2.984) 5.969 3.641 ( 1.697 -0.690 2.678) 3.245 3.748 ( -2.758 -4.843 -5.221) 7.637 3.826 ( -0.377 -3.940 4.107) 5.704 3.847 ( -0.909 -3.324 2.094) 4.033 3.986 ( 2.170 1.893 -1.134) 3.095 4.014 ( 6.037 4.847 0.088) 7.743 4.103 ( 3.061 0.895 -0.330) 3.207 4.181 ( -5.480 -3.807 5.719) 8.788 4.228 ( -3.283 9.935 -0.024) 10.463 4.257 ( -5.722 8.051 3.076) 10.345 4.356 ( 1.982 2.969 6.877) 7.748 4.419 ( -1.512 -6.980 -5.629) 9.094 4.676 ( 2.189 -1.440 2.488) 3.613 4.751 ( 0.533 -6.259 1.672) 6.500 4.822 ( -3.411 6.566 -4.945) 8.900 4.903 ( 1.018 -1.426 0.910) 1.974 5.039 ( -0.829 -3.933 1.836) 4.419 5.124 ( -5.078 1.305 1.601) 5.482 5.133 ( 5.934 -6.237 -0.657) 8.634 5.264 ( -5.096 -2.632 -5.372) 7.859 5.297 ( -1.517 1.280 -2.952) 3.558 5.397 ( -4.148 0.184 -2.569) 4.883 5.504 ( -3.597 -3.915 -2.428) 5.844 5.513 ( -0.635 -2.505 -0.277) 2.599 5.560 ( 3.860 -5.811 -2.717) 7.486 5.577 ( 1.255 -1.151 2.728) 3.216 5.633 ( 2.005 -4.520 7.433) 8.928 5.726 ( 1.026 3.276 4.377) 5.563 5.788 ( 0.421 5.412 0.595) 5.461 5.878 ( -0.831 0.437 -2.187) 2.380 5.910 ( 1.851 -0.091 -2.821) 3.375 6.008 ( 1.004 0.400 2.388) 2.621 6.060 ( 2.490 0.924 1.906) 3.269 6.077 ( -3.367 -1.987 -2.007) 4.394 6.192 ( 0.318 2.653 2.597) 3.726 6.260 ( -0.538 6.955 -2.693) 7.478 6.329 ( 0.652 1.670 1.300) 2.215 6.478 ( -1.565 1.598 -2.341) 3.238 6.503 ( 5.944 2.390 -2.848) 7.011 6.561 ( -0.237 -2.456 -0.942) 2.641 6.600 ( 0.522 4.024 1.173) 4.224 6.675 ( 1.298 -0.400 -1.290) 1.874 6.798 ( -4.379 -1.802 -0.653) 4.780 6.894 ( -2.124 -3.542 -2.415) 4.784 6.940 ( -4.089 0.582 5.784) 7.108 7.087 ( -2.456 2.455 -2.521) 4.291 7.123 ( 2.966 8.043 3.936) 9.433 7.229 ( -2.608 6.112 1.978) 6.933 7.338 ( 1.537 4.412 -2.395) 5.250 7.384 ( -0.533 6.382 -3.041) 7.089 7.442 ( 3.470 -0.557 1.091) 3.680 7.546 ( -2.419 1.663 1.287) 3.205 7.608 ( 4.203 4.763 1.077) 6.443 7.708 ( -0.474 6.692 0.689) 6.744 7.794 ( 2.597 -5.455 2.695) 6.615 7.800 ( -1.817 -1.428 -0.527) 2.371 7.962 ( 0.694 -3.415 -1.782) 3.914 7.986 ( 2.835 -0.576 -0.877) 3.023 8.055 ( -5.032 1.027 -4.899) 7.098 8.191 ( 2.156 6.256 -7.502) 10.003 8.251 ( -2.213 5.609 1.080) 6.126 8.277 ( 1.323 2.994 -0.782) 3.365 8.331 ( 1.821 1.640 2.460) 3.472 8.439 ( 3.640 1.790 4.412) 5.994 8.511 ( 6.972 2.569 1.628) 7.607 8.545 ( -4.635 1.525 5.075) 7.041 8.731 ( -3.003 -1.025 -3.467) 4.700 8.859 ( -3.008 6.604 -3.168) 7.918 8.875 ( 3.842 -1.988 -6.118) 7.493 9.064 ( -2.554 9.217 -2.197) 9.814 9.111 ( 0.365 3.449 4.579) 5.744 9.235 ( 4.720 6.242 7.506) 10.843 9.335 ( -1.907 7.193 4.667) 8.785 9.500 ( 2.470 -0.307 -2.726) 3.691 9.745 ( 1.870 -1.576 -0.419) 2.482 9.838 ( -0.803 6.758 0.259) 6.811 9.867 ( -2.103 4.369 2.557) 5.482 9.977 ( 1.985 -1.400 -2.687) 3.622 10.048 ( -1.190 5.056 0.892) 5.270 10.252 ( 1.915 10.220 -4.523) 11.339 10.442 ( -2.137 14.021 3.858) 14.699 10.616 ( 4.010 3.966 -2.892) 6.338 10.842 ( 0.776 1.222 -2.938) 3.275 10.956 ( -2.592 11.547 1.289) 11.904 10.976 ( -1.851 2.498 6.364) 7.083 11.230 ( 7.947 -0.995 -3.503) 8.741 11.355 ( -2.073 -0.530 -1.479) 2.601 11.408 ( -7.177 -3.127 0.808) 7.870 11.665 ( -2.378 0.446 2.148) 3.235 11.829 ( 1.187 -1.286 -0.588) 1.846 12.011 ( -1.322 -1.606 -1.833) 2.773 12.127 ( -0.373 -1.318 -1.637) 2.135 12.582 ( -0.630 -2.259 0.105) 2.347 12.595 ( 3.865 -3.518 4.137) 6.666 12.697 ( 1.922 -7.719 -3.234) 8.586 12.787 ( 1.228 -7.878 -0.361) 7.982 13.534 ( -0.182 3.883 -0.396) 3.907 13.587 ( -1.247 1.497 0.500) 2.011 13.687 ( 0.560 6.283 0.756) 6.353 13.744 ( 0.424 6.572 -1.132) 6.683 14.299 ( -0.114 -0.461 -1.138) 1.233 14.422 ( -1.479 3.038 -2.187) 4.024 14.654 ( 0.642 -10.056 8.541) 13.210 14.667 ( 1.859 -2.288 4.820) 5.650 14.939 ( -4.687 -1.251 -1.825) 5.183 15.035 ( -0.537 -3.604 0.741) 3.719 15.324 ( -2.866 5.296 -3.592) 7.012 15.572 ( -3.769 -1.304 -10.495) 11.228 15.769 ( -1.267 3.483 3.166) 4.874 15.812 ( 2.863 2.152 0.618) 3.635 16.009 ( 1.100 1.407 5.267) 5.561 16.194 ( 1.260 -4.085 -0.561) 4.311 16.299 ( 1.182 10.408 1.678) 10.609 16.446 ( -1.478 6.534 -1.034) 6.778 16.657 ( 6.688 6.268 -1.728) 9.328 16.825 ( -5.209 2.221 -2.172) 6.065 17.168 ( 4.303 12.272 1.040) 13.046 17.192 ( -0.039 11.257 0.360) 11.262 17.352 ( -3.326 15.861 3.137) 16.507 17.496 ( -1.759 14.957 -2.153) 15.213 18.232 ( 3.424 -17.244 -0.464) 17.587 18.336 ( 1.450 -16.644 -0.737) 16.723 18.383 ( -3.474 -13.211 2.521) 13.891 18.467 ( -2.122 -9.041 -2.272) 9.561 19.377 ( -0.721 19.842 1.620) 19.922 19.484 ( -0.590 15.961 -2.111) 16.110 20.337 ( 0.496 -12.126 0.125) 12.137 20.342 ( 0.455 -11.727 0.010) 11.736 ======================= Grid point 63 (34/55) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -5.394 -2.598 6.883) 9.122 1.408 ( -2.636 -3.629 0.401) 4.503 1.529 ( -3.589 7.248 7.056) 10.733 1.595 ( -9.095 -1.443 0.346) 9.215 1.652 ( -3.932 0.077 -1.632) 4.258 1.679 ( -0.147 -0.253 -0.551) 0.624 1.774 ( -5.774 1.315 -0.701) 5.963 1.807 ( 4.157 -2.064 0.259) 4.649 1.874 ( -0.615 -2.382 -0.398) 2.492 1.983 ( 4.351 2.332 -2.682) 5.618 2.050 ( -4.108 1.941 6.091) 7.599 2.133 ( -0.517 2.651 3.553) 4.463 2.168 ( 3.016 -0.187 0.318) 3.038 2.215 ( 2.092 -0.768 1.553) 2.716 2.278 ( -9.518 3.430 1.921) 10.297 2.319 ( 0.817 -1.790 -2.712) 3.351 2.353 ( -2.268 4.059 -3.536) 5.841 2.375 ( 0.702 -2.178 0.850) 2.441 2.425 ( -0.044 1.688 -0.969) 1.947 2.434 ( 1.290 -0.279 -3.804) 4.027 2.500 ( -0.150 0.282 -1.169) 1.211 2.536 ( 1.927 4.365 -1.180) 4.916 2.604 ( -1.176 -1.607 -2.831) 3.461 2.634 ( -0.792 -1.679 -4.697) 5.050 2.680 ( 0.048 -1.904 -7.292) 7.537 2.723 ( -5.852 -0.939 -0.718) 5.970 2.743 ( -3.472 -5.754 -0.674) 6.755 2.825 ( -2.111 0.928 1.691) 2.860 2.838 ( 1.016 -2.927 -1.410) 3.405 2.958 ( 2.763 4.523 2.557) 5.885 2.971 ( -3.805 0.798 -0.623) 3.937 3.008 ( 2.512 1.634 0.127) 3.000 3.071 ( 0.385 0.555 -0.520) 0.852 3.156 ( 6.247 -1.175 0.035) 6.357 3.242 ( -3.717 6.107 -0.616) 7.176 3.306 ( 1.937 -2.609 -0.288) 3.262 3.315 ( 1.868 -1.209 3.445) 4.101 3.388 ( 0.522 3.106 -0.967) 3.294 3.451 ( 3.010 -0.698 3.010) 4.314 3.485 ( -4.812 -0.923 -3.436) 5.984 3.668 ( -1.840 -7.184 2.011) 7.683 3.773 ( 0.471 -4.110 -3.113) 5.177 3.796 ( -3.696 -1.303 4.208) 5.750 3.817 ( -0.082 -2.826 3.239) 4.300 3.985 ( -9.826 4.632 -4.021) 11.583 4.064 ( 4.290 3.691 1.565) 5.872 4.118 ( 0.545 -1.613 -0.460) 1.763 4.189 ( 4.039 -2.425 3.541) 5.894 4.217 ( 7.283 5.808 2.627) 9.679 4.322 ( 3.464 10.382 4.806) 11.953 4.380 ( 2.689 -4.324 -1.275) 5.249 4.545 ( 7.688 4.242 4.401) 9.822 4.596 ( -5.983 0.420 0.248) 6.002 4.794 ( 3.304 9.997 -8.060) 13.260 4.818 ( -3.587 -10.571 3.003) 11.560 4.949 ( 0.557 -3.771 2.339) 4.472 5.009 ( 3.735 -1.395 5.624) 6.894 5.073 ( -5.039 -2.319 -8.657) 10.281 5.129 ( 1.279 -0.138 -1.328) 1.848 5.204 ( 4.277 -2.841 -1.291) 5.295 5.283 ( -1.564 -1.448 -0.662) 2.232 5.351 ( -2.644 -1.920 -2.902) 4.370 5.448 ( 5.011 -3.138 4.125) 7.210 5.511 ( -2.627 -2.246 1.448) 3.747 5.567 ( 0.237 -3.643 -0.067) 3.651 5.638 ( -1.732 -4.681 -7.664) 9.146 5.675 ( -1.314 1.248 2.887) 3.409 5.758 ( 0.925 2.539 5.176) 5.839 5.804 ( 1.377 -1.457 0.064) 2.006 5.826 ( -1.015 6.048 -0.426) 6.148 5.917 ( 0.353 0.870 -0.310) 0.989 5.974 ( -1.795 -4.027 2.462) 5.050 6.071 ( -1.119 3.289 1.865) 3.943 6.111 ( 1.305 0.882 -2.758) 3.176 6.176 ( -1.925 0.523 2.441) 3.152 6.282 ( 1.007 4.358 -1.650) 4.767 6.352 ( -0.060 1.956 0.533) 2.028 6.385 ( -6.777 -0.602 -2.993) 7.433 6.464 ( 3.656 0.791 -2.966) 4.774 6.584 ( -2.570 3.136 3.715) 5.500 6.622 ( 0.629 0.731 -2.067) 2.280 6.735 ( 1.886 2.434 -3.356) 4.554 6.795 ( 5.790 -2.893 1.542) 6.654 6.883 ( 2.103 -3.534 -2.072) 4.604 6.914 ( -0.851 -0.412 3.337) 3.469 7.086 ( 3.175 2.861 -0.481) 4.300 7.131 ( -3.652 6.766 1.709) 7.876 7.250 ( 2.007 6.864 3.907) 8.149 7.327 ( -2.048 3.963 -2.004) 4.890 7.362 ( 2.813 9.560 -4.299) 10.853 7.477 ( -4.269 2.271 0.016) 4.835 7.509 ( 1.142 3.115 3.069) 4.520 7.680 ( 1.751 1.494 2.257) 3.224 7.722 ( 0.286 3.038 1.356) 3.340 7.741 ( -3.712 1.553 2.286) 4.628 7.813 ( -3.841 -6.190 -0.668) 7.315 7.907 ( -3.329 -1.367 -6.367) 7.313 7.957 ( 2.115 -4.615 -3.920) 6.414 8.058 ( 3.170 1.922 0.243) 3.715 8.175 ( -3.007 6.643 -0.794) 7.335 8.201 ( 1.163 2.265 -4.125) 4.847 8.323 ( 3.903 7.140 0.711) 8.169 8.373 ( -1.020 1.317 5.019) 5.289 8.468 ( -4.779 3.857 4.243) 7.464 8.492 ( -1.964 -1.742 0.127) 2.628 8.606 ( 1.032 0.964 -0.897) 1.673 8.682 ( -0.004 4.072 -0.912) 4.172 8.788 ( 2.095 1.549 -4.301) 5.028 8.889 ( -9.296 4.705 -4.931) 11.527 9.013 ( 5.925 -0.167 3.282) 6.776 9.151 ( 1.246 9.117 2.333) 9.493 9.310 ( -1.986 2.524 5.846) 6.670 9.335 ( 0.361 9.732 1.143) 9.805 9.582 ( 4.676 -0.179 0.008) 4.679 9.769 ( -0.912 2.533 -0.524) 2.743 9.817 ( -0.840 -1.101 -1.932) 2.377 9.836 ( -3.111 3.208 2.621) 5.181 9.973 ( 1.117 0.830 -1.431) 1.996 10.039 ( -1.089 8.159 2.512) 8.606 10.229 ( -0.307 8.924 -5.561) 10.519 10.419 ( -2.916 10.250 3.495) 11.215 10.602 ( 0.528 6.549 -3.325) 7.364 10.834 ( -6.272 8.755 -2.079) 10.969 10.931 ( -0.590 0.084 2.761) 2.825 10.995 ( 2.648 6.366 3.931) 7.936 11.274 ( -3.917 -0.648 -2.043) 4.465 11.363 ( 7.875 2.339 -1.089) 8.287 11.421 ( 7.598 -2.259 -1.018) 7.992 11.720 ( 3.256 -0.718 4.792) 5.838 11.827 ( -0.232 -0.643 -3.070) 3.145 11.972 ( -1.244 -1.765 0.909) 2.343 12.084 ( -0.778 -1.477 -4.484) 4.784 12.530 ( -4.897 -2.793 3.730) 6.759 12.655 ( -2.645 -5.324 0.247) 5.950 12.711 ( -5.440 -6.928 -2.870) 9.264 12.753 ( 4.558 -7.250 0.099) 8.564 13.540 ( 0.262 3.312 0.309) 3.337 13.568 ( -0.394 1.485 -0.315) 1.569 13.696 ( -0.274 6.111 0.678) 6.154 13.744 ( 0.427 6.279 -1.051) 6.381 14.333 ( 1.050 -2.107 -0.989) 2.554 14.386 ( 2.422 1.973 -1.841) 3.627 14.613 ( -5.627 -7.434 7.005) 11.661 14.850 ( 6.941 -4.007 8.991) 12.044 14.959 ( 4.969 -0.270 -1.211) 5.122 15.023 ( 0.517 0.319 -1.074) 1.234 15.287 ( 1.913 2.416 -0.587) 3.137 15.398 ( -4.712 -1.226 -12.273) 13.204 15.766 ( 0.218 5.125 1.470) 5.336 15.891 ( 4.152 0.693 -1.623) 4.511 16.041 ( -2.458 1.130 6.524) 7.063 16.165 ( -2.290 -0.301 0.201) 2.319 16.371 ( 2.671 3.914 0.748) 4.797 16.419 ( -0.197 7.021 -1.304) 7.144 16.670 ( -7.282 7.547 -1.149) 10.551 16.734 ( 1.652 7.896 -2.305) 8.390 17.174 ( -1.692 11.267 -0.064) 11.394 17.201 ( -1.535 9.337 1.291) 9.550 17.386 ( 3.130 13.907 3.510) 14.681 17.489 ( 3.141 16.033 -2.743) 16.567 18.291 ( -3.493 -17.260 -1.620) 17.684 18.315 ( 3.029 -16.602 -0.720) 16.891 18.337 ( -1.651 -13.789 3.018) 14.212 18.473 ( 3.305 -8.574 -1.648) 9.336 19.386 ( 0.217 19.950 2.054) 20.056 19.472 ( 1.233 15.890 -2.545) 16.139 20.337 ( -0.580 -11.792 0.144) 11.807 20.342 ( -0.445 -12.115 -0.009) 12.123 ======================= Grid point 64 (35/55) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -10.326 1.307 4.014) 11.156 1.279 ( -9.891 -0.753 0.178) 9.921 1.402 ( -11.924 6.576 3.422) 14.040 1.499 ( -0.428 5.584 0.970) 5.684 1.589 ( -2.940 -2.355 -0.593) 3.813 1.624 ( -4.012 6.800 1.749) 8.087 1.673 ( -2.480 2.581 -1.831) 4.021 1.843 ( -1.621 -2.995 -1.442) 3.698 1.860 ( -1.144 0.609 -2.803) 3.088 1.964 ( -6.200 1.662 3.198) 7.172 2.012 ( -5.406 -0.012 1.422) 5.590 2.090 ( -0.440 3.319 1.213) 3.561 2.105 ( -3.842 1.883 2.474) 4.942 2.236 ( -0.315 0.182 1.848) 1.884 2.245 ( 2.259 -3.233 -0.869) 4.039 2.292 ( -0.634 3.547 -2.491) 4.380 2.339 ( 0.469 -0.872 2.403) 2.599 2.397 ( 3.341 1.447 -3.209) 4.853 2.436 ( 0.028 -3.587 0.295) 3.600 2.446 ( 1.785 -3.361 -2.386) 4.492 2.471 ( -0.699 0.341 -4.706) 4.770 2.525 ( -2.802 -0.104 1.630) 3.243 2.550 ( 2.595 3.131 -1.713) 4.413 2.579 ( -1.150 -2.465 -3.178) 4.183 2.657 ( -0.971 -3.837 -1.027) 4.089 2.686 ( -0.673 1.836 0.664) 2.065 2.734 ( 1.420 0.439 0.546) 1.583 2.809 ( -2.380 2.513 -2.765) 4.430 2.824 ( -1.024 1.439 2.639) 3.176 2.920 ( 2.041 -1.079 -4.024) 4.639 2.971 ( -0.278 0.826 -0.994) 1.321 3.032 ( -2.987 -1.773 2.108) 4.063 3.104 ( -2.729 2.935 -0.159) 4.011 3.134 ( 2.507 -3.277 1.840) 4.518 3.197 ( -4.826 2.660 -0.231) 5.516 3.327 ( 1.456 7.717 0.404) 7.864 3.363 ( -0.624 -6.748 0.102) 6.777 3.410 ( 5.275 -3.762 1.154) 6.581 3.424 ( -0.177 4.272 -1.316) 4.474 3.596 ( 4.769 -2.056 5.805) 7.789 3.641 ( -1.540 -2.558 0.300) 3.000 3.666 ( -4.370 -2.457 -0.217) 5.018 3.746 ( -6.725 3.784 1.421) 7.847 3.842 ( 1.897 -5.584 2.263) 6.317 3.911 ( 0.865 -6.783 1.058) 6.919 4.049 ( -2.305 0.278 0.441) 2.363 4.191 ( 3.049 -6.257 -6.263) 9.363 4.269 ( -0.396 6.441 3.748) 7.463 4.310 ( 1.373 3.124 -1.048) 3.570 4.394 ( 0.513 -4.517 -2.137) 5.023 4.484 ( 9.221 1.203 -0.370) 9.306 4.504 ( 0.245 9.759 -5.465) 11.188 4.679 ( 5.368 4.510 3.363) 7.776 4.738 ( -0.706 -2.739 -1.274) 3.103 4.874 ( 2.382 -0.794 -0.008) 2.510 4.927 ( -4.593 -6.139 0.204) 7.670 5.013 ( -4.462 4.652 -0.582) 6.472 5.069 ( 6.856 0.730 4.595) 8.286 5.167 ( -0.799 -4.059 0.387) 4.155 5.255 ( 3.943 -2.186 -0.488) 4.535 5.297 ( 3.308 -2.663 1.181) 4.408 5.384 ( 1.552 -1.666 -0.227) 2.289 5.403 ( -1.641 -1.601 1.054) 2.523 5.517 ( -1.008 -3.280 -1.857) 3.902 5.570 ( -6.457 1.438 0.614) 6.644 5.609 ( 3.189 -1.204 1.114) 3.587 5.618 ( 0.278 2.012 0.710) 2.152 5.770 ( -3.078 0.677 0.430) 3.181 5.824 ( 0.896 -2.097 1.165) 2.561 5.908 ( 2.299 0.129 -1.828) 2.940 5.923 ( 1.948 -4.111 4.262) 6.234 5.973 ( 1.735 -1.375 -0.777) 2.346 6.034 ( -0.463 6.053 2.162) 6.444 6.069 ( -0.775 2.507 -6.553) 7.059 6.166 ( -2.753 3.174 2.074) 4.686 6.222 ( -3.355 3.890 -0.571) 5.168 6.283 ( 0.077 3.994 -2.854) 4.909 6.394 ( 0.054 0.790 1.086) 1.344 6.453 ( -8.643 3.569 0.182) 9.353 6.558 ( 2.541 3.263 4.259) 5.937 6.617 ( 0.331 3.667 -1.733) 4.070 6.767 ( 2.428 2.618 -4.647) 5.860 6.884 ( 2.696 -1.363 0.866) 3.143 6.926 ( 2.596 -1.770 -2.355) 3.926 6.952 ( 1.821 -0.801 -0.078) 1.991 7.093 ( 0.499 5.872 3.880) 7.056 7.164 ( 4.297 0.355 -1.136) 4.459 7.286 ( -0.533 2.456 0.321) 2.534 7.337 ( 4.244 1.911 2.967) 5.519 7.387 ( -0.681 4.898 1.866) 5.285 7.431 ( 2.606 4.231 -4.302) 6.573 7.532 ( -0.045 3.790 0.351) 3.807 7.612 ( -8.677 -4.655 -2.098) 10.068 7.670 ( -4.491 -1.429 2.124) 5.170 7.742 ( -1.316 2.944 1.770) 3.679 7.767 ( 0.195 0.600 0.125) 0.643 7.827 ( 1.019 -2.949 -0.753) 3.210 7.979 ( -0.964 -1.884 -0.189) 2.125 8.104 ( 2.680 3.727 -0.420) 4.610 8.124 ( -3.007 3.729 1.585) 5.046 8.223 ( 2.897 1.684 -2.676) 4.288 8.333 ( -4.571 1.031 -0.202) 4.690 8.371 ( -2.145 7.534 0.823) 7.876 8.394 ( -2.768 1.315 -3.755) 4.847 8.462 ( 0.948 2.634 0.307) 2.816 8.575 ( -3.602 3.946 4.659) 7.089 8.654 ( -1.833 -0.339 -1.428) 2.348 8.771 ( 0.785 8.715 1.935) 8.961 8.860 ( 4.128 -0.555 -2.156) 4.690 9.068 ( -0.768 4.889 1.920) 5.308 9.207 ( -0.396 4.673 -0.343) 4.703 9.250 ( -1.236 -0.505 -1.573) 2.063 9.371 ( 1.659 10.135 -1.384) 10.363 9.626 ( -0.489 2.809 -1.310) 3.138 9.693 ( -2.640 2.399 0.552) 3.609 9.786 ( -1.544 -2.851 -0.268) 3.254 9.852 ( 1.712 -3.557 2.394) 4.617 9.980 ( -1.165 -0.856 0.743) 1.625 10.019 ( -1.403 12.334 -0.625) 12.429 10.190 ( -0.184 5.499 -1.805) 5.791 10.401 ( -2.477 11.523 3.723) 12.360 10.577 ( -2.284 11.649 -1.178) 11.929 10.758 ( 0.678 3.949 0.564) 4.046 10.884 ( -3.240 3.921 3.783) 6.339 11.089 ( 3.420 5.080 -0.731) 6.168 11.202 ( -2.304 2.784 -3.979) 5.375 11.517 ( 9.461 1.911 -3.393) 10.231 11.600 ( 8.585 -2.884 0.582) 9.075 11.727 ( -1.331 -0.340 -2.104) 2.513 11.840 ( 1.240 0.987 -0.853) 1.800 11.979 ( 0.042 -1.084 1.087) 1.536 12.059 ( -0.457 -1.908 1.551) 2.501 12.463 ( -4.581 -1.040 4.484) 6.494 12.533 ( -5.129 -2.195 -0.642) 5.615 12.612 ( -4.787 -8.940 -0.208) 10.143 12.818 ( 1.810 -9.178 -1.364) 9.454 13.547 ( 1.034 2.851 -0.582) 3.088 13.570 ( 0.201 1.407 0.716) 1.592 13.687 ( -1.067 6.451 0.916) 6.603 13.744 ( 0.233 5.454 -1.053) 5.560 14.317 ( 0.301 -2.751 -2.032) 3.433 14.433 ( -0.002 -2.306 2.564) 3.449 14.625 ( 1.171 0.499 0.898) 1.558 14.832 ( -2.298 -0.541 -4.058) 4.695 15.093 ( 5.121 2.451 2.465) 6.190 15.131 ( 1.236 -2.447 -4.606) 5.360 15.283 ( 7.150 -4.610 2.266) 8.804 15.394 ( 3.439 -0.111 4.147) 5.389 15.777 ( -0.158 4.770 -1.009) 4.878 15.929 ( 1.373 -0.591 -2.687) 3.074 16.002 ( -5.230 0.786 3.788) 6.505 16.117 ( -2.580 -1.069 -0.473) 2.832 16.387 ( 0.442 7.790 -1.009) 7.868 16.431 ( 0.585 3.435 1.411) 3.759 16.591 ( 1.396 6.122 -2.883) 6.910 16.700 ( -3.936 9.947 1.095) 10.753 17.079 ( -7.069 10.053 2.830) 12.611 17.209 ( 1.629 8.610 -2.546) 9.125 17.475 ( 2.886 16.102 2.622) 16.567 17.552 ( 4.277 15.616 -2.148) 16.332 18.221 ( -1.897 -15.961 -1.281) 16.124 18.278 ( -2.502 -16.859 0.538) 17.052 18.415 ( 2.964 -11.253 2.193) 11.842 18.528 ( 3.286 -9.933 -2.040) 10.659 19.405 ( -0.013 18.345 2.335) 18.493 19.495 ( 2.868 14.541 -2.991) 15.120 20.322 ( -0.909 -11.526 0.131) 11.563 20.328 ( -0.849 -12.140 0.046) 12.169 ======================= Grid point 65 (36/55) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -2.204 2.964 3.160) 4.861 1.139 ( -1.398 -2.634 0.803) 3.089 1.359 ( -1.507 4.111 0.944) 4.479 1.424 ( -0.399 -2.874 -1.304) 3.181 1.661 ( 3.193 1.968 1.849) 4.182 1.694 ( -0.935 1.446 5.106) 5.389 1.738 ( -0.305 1.879 -3.886) 4.327 1.812 ( 0.050 2.064 0.545) 2.136 1.852 ( -0.132 1.872 -0.345) 1.908 1.900 ( -1.148 1.830 -3.310) 3.953 2.022 ( -0.264 2.797 2.140) 3.532 2.046 ( -3.471 1.529 0.814) 3.879 2.099 ( 0.100 0.450 0.607) 0.762 2.149 ( -1.534 -4.470 -0.891) 4.809 2.197 ( 0.206 -6.434 -2.085) 6.766 2.234 ( -1.384 -5.812 -2.320) 6.409 2.305 ( 0.650 1.313 1.696) 2.241 2.393 ( 2.358 -0.721 -2.463) 3.485 2.396 ( -0.669 -5.345 -2.718) 6.033 2.414 ( 2.416 -2.028 -1.772) 3.618 2.497 ( 2.348 3.825 1.393) 4.699 2.529 ( 3.423 0.950 3.384) 4.906 2.611 ( -0.323 2.887 0.897) 3.040 2.642 ( 1.745 0.388 3.062) 3.545 2.668 ( -0.187 3.761 0.006) 3.766 2.732 ( 0.721 0.611 1.152) 1.489 2.750 ( -0.073 0.961 -3.585) 3.712 2.763 ( 2.177 -1.378 -1.368) 2.918 2.862 ( -1.435 -1.939 0.241) 2.425 2.902 ( -1.667 -2.033 -2.241) 3.455 2.953 ( 0.805 2.456 -4.146) 4.886 2.985 ( 1.352 3.865 1.201) 4.267 3.072 ( -1.507 -0.935 -0.916) 1.996 3.141 ( 0.869 -1.002 1.884) 2.304 3.229 ( -2.145 5.747 0.789) 6.185 3.288 ( -1.427 -3.396 -0.917) 3.796 3.353 ( -1.078 -4.284 2.154) 4.915 3.357 ( 3.919 -1.540 0.125) 4.213 3.425 ( -0.537 1.495 0.145) 1.595 3.529 ( -2.725 -6.400 -4.437) 8.250 3.624 ( -0.026 -0.221 1.001) 1.026 3.682 ( -2.054 -4.432 0.158) 4.888 3.797 ( 3.368 1.075 9.010) 9.679 3.808 ( 2.909 -1.942 7.984) 8.716 4.062 ( -2.286 2.616 -0.017) 3.474 4.077 ( 1.192 8.442 -0.246) 8.529 4.096 ( 2.680 2.046 -0.261) 3.382 4.215 ( -3.650 -1.635 -4.165) 5.774 4.330 ( 2.026 5.548 -1.727) 6.153 4.425 ( -0.082 -2.212 -1.424) 2.632 4.457 ( -6.036 -0.505 -0.481) 6.076 4.556 ( -5.442 0.441 -7.275) 9.096 4.737 ( -0.502 4.144 -1.559) 4.456 4.807 ( 1.949 6.720 -3.401) 7.779 4.840 ( -1.176 -0.980 -0.854) 1.753 4.933 ( -0.358 -4.229 -6.215) 7.525 5.062 ( 1.764 5.877 8.667) 10.619 5.192 ( -1.870 1.729 0.938) 2.714 5.221 ( 6.820 -5.695 4.117) 9.792 5.239 ( 5.442 1.138 -0.741) 5.609 5.290 ( 0.038 -5.321 1.617) 5.562 5.328 ( -4.121 -0.384 1.602) 4.438 5.398 ( 2.226 -3.707 2.757) 5.128 5.430 ( 3.875 -6.373 -1.413) 7.592 5.505 ( -1.686 0.924 2.912) 3.489 5.547 ( -0.114 -4.614 3.039) 5.526 5.574 ( -2.367 -2.915 -2.818) 4.695 5.589 ( -0.401 -3.745 -1.146) 3.937 5.772 ( -4.855 2.907 -2.446) 6.165 5.846 ( -4.780 -4.132 -6.230) 8.873 5.991 ( 5.645 4.752 3.712) 8.260 6.035 ( 0.582 0.828 0.570) 1.162 6.151 ( 0.026 6.750 1.133) 6.845 6.215 ( -2.626 2.068 0.286) 3.355 6.240 ( 3.546 2.653 4.366) 6.219 6.311 ( -0.964 -2.304 3.572) 4.359 6.368 ( -1.356 8.507 0.055) 8.614 6.411 ( 2.677 3.018 -1.084) 4.178 6.439 ( 3.514 0.173 1.275) 3.742 6.484 ( -4.499 -3.295 -0.555) 5.604 6.801 ( -0.129 4.743 -0.377) 4.760 6.842 ( -0.994 4.582 -1.160) 4.830 6.909 ( -1.764 -3.106 0.383) 3.593 6.917 ( 0.608 -3.383 0.425) 3.463 7.032 ( 7.871 8.433 -4.306) 12.313 7.128 ( -3.811 1.571 -6.095) 7.358 7.194 ( 4.847 -4.024 -2.431) 6.753 7.248 ( -2.966 -7.354 -3.912) 8.842 7.345 ( -2.778 3.231 3.833) 5.732 7.378 ( 0.398 -1.405 0.037) 1.461 7.449 ( -4.095 3.790 4.511) 7.175 7.540 ( 0.767 -0.824 1.219) 1.659 7.580 ( -1.359 -0.548 0.212) 1.481 7.621 ( -0.542 -2.818 1.801) 3.388 7.695 ( 1.945 0.097 3.125) 3.682 7.758 ( 1.618 -3.129 0.059) 3.523 7.841 ( 3.288 4.019 -1.710) 5.467 7.947 ( 0.600 -2.358 -2.130) 3.233 8.075 ( -1.992 0.154 2.922) 3.540 8.145 ( -3.061 -4.222 3.264) 6.152 8.336 ( -2.386 5.763 -0.631) 6.269 8.356 ( 3.081 5.536 -1.713) 6.563 8.395 ( 2.027 3.035 -2.346) 4.339 8.435 ( -1.770 4.533 -2.991) 5.712 8.465 ( 0.026 -0.673 0.933) 1.150 8.538 ( 1.688 -5.295 -1.792) 5.839 8.780 ( 4.107 3.743 4.948) 7.441 8.845 ( 1.776 -2.982 -0.420) 3.496 8.955 ( -3.577 7.475 -0.655) 8.312 9.081 ( -4.155 -4.762 -1.137) 6.421 9.241 ( -0.934 10.924 2.824) 11.322 9.363 ( 1.572 2.454 1.965) 3.515 9.485 ( -0.389 1.423 -5.720) 5.907 9.565 ( 1.541 -2.307 -5.265) 5.951 9.652 ( -1.139 0.381 1.701) 2.083 9.720 ( -0.736 -3.220 -2.199) 3.968 9.875 ( 0.479 1.287 5.997) 6.152 9.925 ( 2.237 -3.193 5.614) 6.835 10.162 ( -1.567 6.171 -3.758) 7.393 10.218 ( -2.189 0.579 -5.219) 5.689 10.656 ( 2.225 9.068 3.810) 10.084 10.692 ( 1.691 4.394 2.702) 5.428 10.877 ( 1.247 1.451 4.245) 4.656 10.926 ( -0.409 -2.789 3.703) 4.654 11.168 ( -0.679 4.013 -5.671) 6.980 11.185 ( -2.081 3.037 -4.601) 5.893 11.562 ( -1.326 -2.507 -5.206) 5.928 11.569 ( -0.334 -2.791 -4.642) 5.426 11.795 ( -0.008 3.077 0.756) 3.169 11.852 ( -0.769 -1.657 -2.736) 3.289 12.003 ( 1.652 3.105 4.569) 5.766 12.057 ( 1.117 -1.790 2.117) 2.989 12.413 ( -0.695 -1.506 3.330) 3.720 12.440 ( 0.172 -3.887 2.731) 4.754 12.527 ( 1.104 4.206 0.441) 4.371 12.642 ( -0.327 -7.479 -2.380) 7.855 13.594 ( 0.299 1.311 1.548) 2.051 13.607 ( 0.315 0.232 1.398) 1.451 13.797 ( -0.360 4.919 0.637) 4.973 13.825 ( 0.146 2.229 -0.435) 2.276 14.305 ( 1.198 0.385 3.185) 3.424 14.362 ( 0.574 -5.270 5.438) 7.595 14.617 ( -4.386 5.563 -11.301) 13.338 14.724 ( -3.610 -5.197 -10.445) 12.212 15.153 ( 5.380 2.318 2.154) 6.242 15.189 ( 0.075 0.269 0.379) 0.471 15.388 ( 1.239 -1.868 6.552) 6.925 15.407 ( 1.599 -3.078 6.611) 7.466 15.810 ( -1.694 3.322 -3.054) 4.820 15.864 ( -2.499 -2.438 -3.473) 4.924 15.998 ( 0.901 2.444 0.671) 2.690 16.041 ( -0.273 -1.942 -1.466) 2.448 16.489 ( -0.302 2.441 2.088) 3.226 16.505 ( 1.071 1.314 3.129) 3.559 16.706 ( 2.316 1.453 -3.421) 4.379 16.710 ( -2.611 1.898 -2.078) 3.839 17.376 ( 0.863 20.490 2.067) 20.612 17.443 ( -0.790 17.155 -1.394) 17.230 17.726 ( 0.080 -5.749 2.514) 6.275 17.791 ( -0.318 -7.646 -0.626) 7.678 17.955 ( -1.280 3.367 1.474) 3.892 18.039 ( 1.203 5.775 -2.056) 6.247 18.213 ( 0.005 -14.920 1.788) 15.027 18.302 ( 0.405 -15.393 -1.962) 15.523 19.745 ( -0.841 17.379 1.063) 17.432 19.799 ( 0.996 14.945 -1.278) 15.033 20.056 ( -0.446 -15.125 0.460) 15.138 20.076 ( 0.440 -13.785 -0.387) 13.798 ======================= Grid point 66 (37/55) ======================= q-point: ( 0.20 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 3.016 1.926 3.391) 4.929 1.170 ( 3.121 -4.119 1.453) 5.368 1.444 ( 7.160 3.344 0.780) 7.941 1.489 ( 5.517 -1.207 0.449) 5.665 1.671 ( -1.730 4.908 2.665) 5.846 1.716 ( 2.203 1.820 -3.258) 4.333 1.764 ( 1.594 -2.762 3.187) 4.509 1.798 ( 0.430 3.063 0.026) 3.093 1.864 ( -0.819 -0.278 3.355) 3.465 1.924 ( 3.524 0.193 -0.655) 3.590 2.026 ( 0.081 -2.365 -1.581) 2.846 2.054 ( 2.498 -2.543 1.490) 3.863 2.108 ( 0.285 1.449 -1.831) 2.352 2.151 ( 2.576 0.622 0.317) 2.669 2.183 ( -0.610 -2.199 0.380) 2.313 2.246 ( 4.288 -3.632 -1.500) 5.816 2.333 ( 0.169 -1.743 1.355) 2.214 2.362 ( 1.476 -3.911 -3.410) 5.395 2.429 ( 2.817 1.407 -1.362) 3.431 2.470 ( 5.342 -0.979 -3.392) 6.403 2.533 ( 0.570 2.042 0.676) 2.225 2.588 ( 0.567 0.545 -0.614) 0.998 2.626 ( -0.543 3.505 -0.764) 3.628 2.642 ( -1.506 4.496 1.166) 4.883 2.702 ( 0.644 -0.883 3.569) 3.733 2.732 ( 0.577 -1.683 -0.390) 1.821 2.750 ( 0.773 -1.367 -1.604) 2.245 2.761 ( 0.592 -1.131 -3.589) 3.809 2.833 ( 0.936 0.290 1.311) 1.637 2.910 ( 3.806 0.343 -3.124) 4.936 2.961 ( 1.079 2.867 -2.349) 3.861 3.036 ( 0.847 4.956 2.232) 5.501 3.065 ( 0.968 -3.159 -2.000) 3.862 3.157 ( 0.095 -1.347 0.480) 1.433 3.204 ( -1.550 1.796 0.440) 2.413 3.250 ( -0.287 -2.909 0.526) 2.970 3.319 ( -2.058 2.354 -1.050) 3.298 3.385 ( -0.408 -3.570 0.197) 3.598 3.479 ( 0.304 0.041 -1.319) 1.354 3.520 ( 6.097 -2.043 3.373) 7.261 3.657 ( 0.489 -3.874 2.224) 4.494 3.684 ( 1.463 -5.849 -0.052) 6.029 3.841 ( -4.533 4.163 3.520) 7.090 3.879 ( -3.400 0.591 5.094) 6.153 3.992 ( -0.162 3.065 -2.123) 3.732 4.063 ( 0.592 -1.557 -2.221) 2.777 4.104 ( -2.556 0.584 -0.627) 2.696 4.184 ( 1.639 -3.913 -0.819) 4.321 4.256 ( -3.233 10.279 -1.741) 10.915 4.403 ( 0.977 2.748 -0.489) 2.957 4.472 ( 5.247 9.028 4.158) 11.239 4.540 ( 3.111 -7.266 -1.273) 8.006 4.700 ( -9.961 7.694 -1.513) 12.677 4.742 ( -0.156 5.793 1.209) 5.920 4.811 ( 1.089 3.913 -0.037) 4.062 4.858 ( -6.946 -6.827 -0.009) 9.739 5.096 ( -1.701 -6.821 1.323) 7.153 5.115 ( -6.240 -10.536 1.258) 12.309 5.187 ( -4.858 8.197 -8.421) 12.717 5.289 ( 3.012 0.593 4.724) 5.634 5.307 ( -0.547 0.016 -1.914) 1.991 5.368 ( 2.496 -3.534 5.915) 7.328 5.401 ( 2.061 -2.564 -4.959) 5.951 5.418 ( -3.701 -2.903 -1.573) 4.959 5.470 ( -1.710 -2.388 -0.719) 3.024 5.534 ( -1.151 -7.237 -1.443) 7.469 5.679 ( -1.169 1.923 -3.487) 4.150 5.690 ( 1.337 0.450 2.928) 3.250 5.730 ( 8.646 -1.736 6.827) 11.152 5.768 ( 3.049 -4.948 1.029) 5.903 5.981 ( -1.779 5.225 -0.511) 5.543 6.043 ( -2.450 0.189 -2.585) 3.567 6.107 ( -4.931 7.439 -1.491) 9.048 6.163 ( -1.446 3.338 5.997) 7.014 6.250 ( -3.370 2.818 1.649) 4.692 6.351 ( -1.184 -3.598 -1.523) 4.083 6.386 ( 2.437 1.003 1.301) 2.939 6.410 ( 2.244 -1.404 0.386) 2.675 6.512 ( 6.125 6.611 -2.021) 9.237 6.556 ( 4.953 1.571 3.132) 6.067 6.701 ( -4.824 6.727 -1.176) 8.361 6.785 ( -5.289 3.113 -1.636) 6.351 6.847 ( -6.197 -7.602 -1.948) 10.000 6.861 ( -4.350 -4.293 0.043) 6.111 7.028 ( -2.197 4.412 -1.899) 5.282 7.114 ( 2.318 -1.191 -3.284) 4.193 7.223 ( -0.073 2.192 -0.885) 2.365 7.263 ( -0.150 1.620 3.210) 3.599 7.350 ( 2.069 -0.963 0.095) 2.284 7.380 ( 3.711 -2.356 -1.123) 4.537 7.439 ( 2.392 4.462 2.164) 5.506 7.544 ( -0.616 -3.323 -1.281) 3.614 7.606 ( 1.979 2.645 1.786) 3.756 7.661 ( 3.423 -0.391 1.455) 3.740 7.764 ( 1.435 -0.870 1.173) 2.047 7.806 ( 0.773 -2.525 -0.357) 2.664 7.893 ( 3.997 2.795 -3.731) 6.141 7.946 ( 1.232 1.496 1.095) 2.226 8.091 ( 1.581 -2.558 0.864) 3.129 8.154 ( 1.146 -5.480 5.278) 7.694 8.307 ( -0.905 3.891 1.307) 4.204 8.346 ( -0.164 0.915 -1.113) 1.450 8.386 ( -0.339 6.575 -4.345) 7.889 8.440 ( -0.432 0.750 -1.763) 1.964 8.479 ( 3.978 5.412 -0.293) 6.723 8.576 ( 0.972 -3.781 -0.891) 4.004 8.811 ( -2.768 2.666 -3.754) 5.372 8.868 ( -1.808 -2.477 -5.322) 6.143 8.955 ( 4.309 2.203 8.806) 10.049 9.011 ( -0.582 -1.838 3.119) 3.666 9.231 ( -2.472 9.942 3.747) 10.908 9.359 ( -2.501 0.293 2.687) 3.682 9.457 ( 1.675 6.270 -5.917) 8.782 9.523 ( 0.053 0.705 -5.645) 5.689 9.677 ( 2.076 -0.290 -0.314) 2.119 9.777 ( 3.597 -8.229 0.912) 9.027 9.933 ( 1.858 4.269 5.273) 7.034 9.968 ( -1.886 0.469 0.345) 1.974 10.154 ( 2.069 4.183 -1.500) 4.902 10.208 ( 6.281 -1.400 -0.871) 6.494 10.686 ( -0.819 10.485 1.278) 10.594 10.765 ( 2.145 9.754 0.679) 10.010 10.871 ( -4.512 -5.712 -1.774) 7.492 10.933 ( -0.477 -3.512 3.728) 5.144 11.111 ( 0.434 5.649 0.529) 5.690 11.153 ( 1.009 1.212 -3.364) 3.715 11.460 ( -5.254 -0.535 -2.771) 5.965 11.489 ( -5.065 -3.116 -2.199) 6.341 11.762 ( -3.398 2.556 0.425) 4.273 11.806 ( -2.038 -1.382 -0.778) 2.582 12.037 ( -0.717 1.760 1.257) 2.279 12.084 ( 0.765 -2.219 0.230) 2.358 12.464 ( 3.456 0.086 2.852) 4.481 12.496 ( 3.462 -2.397 0.836) 4.292 12.594 ( 3.865 -1.552 1.025) 4.289 12.625 ( 0.610 -4.111 -2.630) 4.919 13.601 ( -0.419 1.749 0.658) 1.915 13.616 ( -0.292 0.283 0.822) 0.917 13.799 ( 0.095 5.164 0.663) 5.207 13.830 ( 0.506 2.145 -0.290) 2.223 14.350 ( -0.961 1.319 2.707) 3.161 14.415 ( 1.034 -4.232 4.778) 6.466 14.512 ( 0.003 2.673 -2.408) 3.597 14.596 ( -1.418 -5.136 -7.415) 9.131 15.065 ( -8.693 0.926 -2.262) 9.030 15.095 ( -9.492 -1.802 -1.607) 9.794 15.441 ( 1.863 4.669 4.015) 6.433 15.543 ( 2.873 -5.865 3.537) 7.428 15.785 ( 0.891 2.471 -0.828) 2.755 15.815 ( 0.021 -0.853 -2.353) 2.503 16.023 ( 0.587 2.004 -0.112) 2.091 16.062 ( 2.976 -2.086 0.341) 3.650 16.488 ( -1.279 5.578 1.774) 5.992 16.536 ( -0.116 0.761 1.878) 2.030 16.682 ( 2.456 4.932 -3.062) 6.303 16.760 ( 4.417 -4.043 -1.991) 6.310 17.420 ( 1.651 18.094 1.293) 18.215 17.443 ( 1.832 18.602 -0.335) 18.695 17.731 ( -1.672 1.394 2.406) 3.245 17.780 ( -0.252 -5.389 -1.092) 5.504 17.900 ( -4.625 1.282 1.673) 5.083 18.051 ( 1.650 -0.037 -2.242) 2.784 18.177 ( -5.016 -15.872 2.701) 16.864 18.275 ( -1.136 -15.179 -2.968) 15.508 19.741 ( -0.129 17.970 0.663) 17.982 19.804 ( 0.274 15.419 -0.866) 15.446 20.060 ( 0.518 -15.378 0.246) 15.389 20.086 ( 0.717 -13.927 -0.186) 13.946 ======================= Grid point 67 (38/55) ======================= q-point: ( 0.40 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 2.184 0.436 5.226) 5.681 1.256 ( 3.545 -4.927 2.972) 6.759 1.558 ( 0.220 0.760 2.341) 2.471 1.572 ( 4.160 -1.037 1.331) 4.489 1.668 ( -0.365 1.292 2.405) 2.755 1.720 ( -3.891 -3.393 2.234) 5.626 1.771 ( 1.762 2.749 -4.098) 5.240 1.839 ( 0.843 -3.241 -1.491) 3.665 1.885 ( 1.172 5.249 3.512) 6.423 1.976 ( 2.331 1.811 -0.119) 2.954 2.000 ( -0.526 -3.483 1.972) 4.037 2.087 ( 0.735 -4.993 1.496) 5.264 2.153 ( 1.069 3.003 3.199) 4.516 2.184 ( 1.371 0.242 2.119) 2.536 2.236 ( 4.260 0.488 -0.998) 4.403 2.286 ( -0.740 -5.342 -0.819) 5.455 2.357 ( 4.158 2.064 -0.124) 4.644 2.426 ( 3.829 -2.859 -1.483) 5.003 2.459 ( 1.632 4.173 -4.769) 6.544 2.531 ( -3.790 3.969 -2.148) 5.893 2.546 ( 1.299 1.225 -2.462) 3.041 2.547 ( 1.259 -0.874 -3.112) 3.469 2.592 ( 3.460 -3.817 -2.663) 5.799 2.636 ( -2.973 -2.526 -2.163) 4.461 2.648 ( -1.217 2.081 -2.330) 3.352 2.724 ( 1.220 -1.268 -5.667) 5.934 2.786 ( -0.511 -2.589 3.733) 4.572 2.802 ( -0.451 -4.465 2.418) 5.098 2.876 ( 2.544 6.204 -2.848) 7.285 2.952 ( 2.222 5.115 -0.932) 5.654 3.003 ( 5.272 -2.716 -2.432) 6.409 3.036 ( -0.795 7.321 1.020) 7.434 3.058 ( 0.738 -3.510 -2.444) 4.340 3.106 ( -4.551 2.483 0.581) 5.216 3.203 ( 0.044 -2.319 3.544) 4.236 3.261 ( 1.017 -7.850 0.826) 7.958 3.305 ( 0.136 5.164 -0.388) 5.180 3.384 ( 0.800 -1.812 0.479) 2.037 3.499 ( -0.454 3.332 -1.680) 3.759 3.586 ( -6.581 -4.871 -2.959) 8.706 3.629 ( 1.396 -0.036 2.918) 3.234 3.662 ( -2.770 -3.434 2.489) 5.065 3.781 ( -0.008 0.475 1.808) 1.869 3.820 ( -1.230 -2.208 0.672) 2.615 4.050 ( 1.218 5.152 1.633) 5.541 4.087 ( 5.382 2.241 -0.723) 5.874 4.141 ( 2.856 -0.366 2.288) 3.678 4.204 ( 3.577 -8.784 -0.992) 9.536 4.263 ( 0.903 13.313 -0.664) 13.360 4.417 ( -5.185 5.320 1.594) 7.598 4.453 ( -3.204 9.722 -0.130) 10.237 4.584 ( -1.273 -4.636 2.859) 5.593 4.625 ( 0.569 -2.479 2.863) 3.829 4.676 ( -3.357 15.665 5.509) 16.941 4.789 ( 0.643 -7.259 -0.770) 7.328 4.871 ( 0.092 0.863 0.660) 1.091 4.950 ( -4.671 -6.673 -0.256) 8.150 5.028 ( -0.492 -8.282 -0.805) 8.336 5.192 ( 0.735 1.802 -1.230) 2.302 5.229 ( -2.550 4.767 -5.590) 7.777 5.287 ( -0.001 -6.263 -2.136) 6.618 5.342 ( -6.824 -5.810 -2.569) 9.323 5.427 ( 5.228 -0.470 -0.447) 5.268 5.444 ( -0.469 0.426 -1.174) 1.334 5.480 ( 3.690 -3.628 -1.087) 5.288 5.502 ( -1.944 -4.188 1.302) 4.797 5.622 ( -1.137 3.510 3.272) 4.932 5.711 ( 2.699 -3.150 3.752) 5.593 5.818 ( -2.740 -2.012 -2.108) 4.000 5.825 ( -0.904 -2.985 -1.391) 3.415 5.994 ( -1.736 4.886 -0.042) 5.186 6.040 ( 2.670 1.603 -0.723) 3.197 6.068 ( 5.114 3.196 2.641) 6.584 6.151 ( -2.551 -3.366 4.646) 6.279 6.182 ( -4.711 7.127 2.179) 8.817 6.307 ( -1.191 -3.677 -1.371) 4.101 6.442 ( 4.933 5.669 -0.912) 7.570 6.497 ( 2.504 -1.472 -1.974) 3.512 6.532 ( -5.176 1.866 -2.419) 6.010 6.563 ( -1.833 1.155 -2.889) 3.612 6.673 ( -0.791 5.492 0.889) 5.620 6.713 ( 2.579 3.565 -0.046) 4.400 6.761 ( -0.659 -1.874 0.396) 2.025 6.806 ( -0.528 -6.057 -1.652) 6.300 6.959 ( -4.377 2.633 1.720) 5.390 7.054 ( -3.023 -5.271 -2.490) 6.567 7.256 ( 2.166 5.561 5.452) 8.083 7.313 ( -0.766 0.757 5.606) 5.708 7.403 ( 0.630 1.768 -3.228) 3.734 7.425 ( 3.543 -0.055 -1.704) 3.932 7.498 ( 3.799 5.741 -2.460) 7.311 7.566 ( 3.406 -0.735 -0.233) 3.492 7.651 ( 1.329 1.476 0.550) 2.060 7.720 ( -0.703 -3.277 2.790) 4.361 7.768 ( -0.493 -1.011 0.587) 1.269 7.785 ( -0.370 -0.515 -1.439) 1.573 7.900 ( -0.948 2.252 -3.675) 4.413 7.974 ( 0.006 -3.349 -4.145) 5.329 8.104 ( -1.203 5.232 3.150) 6.224 8.213 ( 1.668 -4.056 -0.651) 4.433 8.319 ( 1.416 0.490 0.390) 1.549 8.320 ( -0.215 0.827 -2.540) 2.680 8.390 ( 2.368 5.401 0.052) 5.898 8.462 ( 1.609 -0.702 1.224) 2.140 8.534 ( 1.513 2.340 1.475) 3.153 8.576 ( -2.871 -0.036 4.319) 5.187 8.742 ( -0.150 2.283 -4.267) 4.842 8.809 ( 2.692 -4.153 -4.129) 6.445 8.982 ( -3.620 5.052 0.038) 6.215 9.056 ( -1.185 -3.153 0.256) 3.378 9.259 ( 1.073 7.953 7.119) 10.727 9.354 ( -1.071 0.951 6.499) 6.655 9.477 ( 3.908 6.496 -3.181) 8.221 9.515 ( 2.257 1.970 -2.465) 3.879 9.701 ( 0.561 -0.269 -1.449) 1.577 9.797 ( -1.476 -7.904 -1.712) 8.221 9.939 ( 0.365 3.767 1.623) 4.118 9.981 ( -0.141 -0.510 2.079) 2.145 10.208 ( 2.173 9.317 -0.452) 9.578 10.335 ( 3.998 -2.434 -1.565) 4.935 10.665 ( -0.185 7.181 -0.062) 7.183 10.699 ( -5.310 5.698 -1.545) 7.940 10.831 ( 2.209 0.088 -3.092) 3.801 10.935 ( -1.608 -5.911 1.933) 6.423 11.148 ( -0.086 5.917 1.010) 6.003 11.206 ( 5.867 -1.482 -0.209) 6.055 11.352 ( -4.652 1.507 2.047) 5.301 11.387 ( -3.354 -0.769 0.785) 3.530 11.710 ( -1.490 3.803 1.594) 4.384 11.784 ( -0.068 -3.421 0.418) 3.447 12.010 ( -1.571 1.889 -1.995) 3.165 12.074 ( -0.990 -3.983 -2.175) 4.644 12.544 ( 1.217 -0.824 0.384) 1.519 12.558 ( 2.333 -1.802 0.321) 2.965 12.613 ( 1.437 -0.236 -1.160) 1.862 12.663 ( 1.110 -4.869 -0.010) 4.994 13.591 ( -0.483 1.985 -0.543) 2.114 13.607 ( -0.834 0.286 -0.163) 0.896 13.808 ( 0.150 5.037 0.847) 5.110 13.837 ( 0.325 2.262 -0.227) 2.296 14.322 ( -0.583 3.561 0.495) 3.642 14.438 ( -2.908 -6.812 -0.166) 7.409 14.520 ( 1.507 2.273 3.161) 4.175 14.603 ( 1.237 -4.512 2.340) 5.231 14.922 ( -2.531 0.643 -0.985) 2.791 14.967 ( -1.065 -3.442 1.844) 4.048 15.425 ( -3.086 5.228 -4.887) 7.794 15.516 ( -3.547 -4.136 -6.932) 8.818 15.820 ( 0.643 1.912 2.364) 3.107 15.838 ( 2.512 0.214 1.949) 3.186 16.049 ( 0.993 2.867 2.907) 4.202 16.115 ( 1.639 -3.975 1.002) 4.415 16.471 ( -1.345 6.690 1.212) 6.931 16.526 ( -1.144 1.115 -0.263) 1.619 16.748 ( 5.231 3.362 -2.618) 6.747 16.806 ( 1.061 -2.881 -2.095) 3.717 17.465 ( 0.868 17.831 1.998) 17.964 17.481 ( 2.581 18.027 -0.497) 18.217 17.687 ( -4.842 13.797 3.391) 15.010 17.748 ( -1.828 5.433 -0.312) 5.740 17.882 ( 2.880 -16.630 0.327) 16.881 18.060 ( 0.438 -5.055 -3.173) 5.984 18.084 ( -6.050 -17.355 4.057) 18.822 18.239 ( 0.526 -14.050 -3.987) 14.614 19.748 ( 0.275 18.601 0.638) 18.614 19.798 ( -0.213 16.467 -0.812) 16.489 20.073 ( 0.528 -15.521 0.263) 15.532 20.094 ( 0.180 -14.429 -0.219) 14.432 ======================= Grid point 68 (39/55) ======================= q-point: (-0.40 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -3.746 1.340 5.587) 6.859 1.307 ( -2.211 -5.472 3.984) 7.121 1.540 ( -2.603 0.188 2.162) 3.389 1.575 ( -3.449 -2.937 1.356) 4.729 1.655 ( -4.102 0.560 0.435) 4.163 1.681 ( -1.056 -1.430 2.079) 2.736 1.772 ( 1.697 0.441 -2.422) 2.990 1.797 ( -0.959 -1.057 -4.188) 4.425 1.917 ( -1.478 6.646 3.784) 7.789 2.012 ( 0.301 -1.838 1.806) 2.594 2.049 ( 1.096 1.583 2.563) 3.206 2.103 ( 0.409 -2.664 2.517) 3.687 2.198 ( -0.262 1.441 3.937) 4.201 2.233 ( 0.750 1.477 2.371) 2.892 2.257 ( -0.624 -3.738 -0.200) 3.795 2.275 ( -0.315 -4.399 2.359) 5.001 2.370 ( -6.272 4.998 -0.995) 8.081 2.397 ( -0.440 2.771 -1.740) 3.302 2.452 ( -0.945 0.504 -4.994) 5.107 2.469 ( 0.674 1.613 -5.856) 6.111 2.495 ( -5.133 -5.811 -4.461) 8.945 2.543 ( 1.244 -2.917 -3.478) 4.707 2.572 ( -0.031 1.588 -4.652) 4.916 2.604 ( -0.027 -1.180 -2.731) 2.976 2.657 ( -3.023 -0.941 -0.034) 3.166 2.682 ( -2.397 -1.274 -3.533) 4.456 2.703 ( 2.732 3.421 -2.020) 4.821 2.774 ( -2.564 -3.561 4.720) 6.445 2.932 ( 0.814 7.453 -3.907) 8.454 2.966 ( -0.045 0.167 2.848) 2.853 2.981 ( -3.731 0.720 -0.098) 3.801 3.044 ( 2.822 -5.265 -3.105) 6.732 3.103 ( 3.394 4.434 -0.114) 5.585 3.142 ( 3.584 -0.412 0.033) 3.608 3.236 ( -3.406 -2.571 -0.374) 4.283 3.262 ( 1.279 -2.056 4.041) 4.711 3.325 ( -0.999 1.088 -1.113) 1.849 3.401 ( 0.009 -0.971 3.871) 3.991 3.429 ( 2.750 1.566 -1.948) 3.716 3.473 ( -2.398 -3.864 -2.035) 4.982 3.664 ( 0.507 2.464 0.815) 2.645 3.696 ( 2.398 -2.075 1.622) 3.561 3.780 ( -3.792 0.401 1.432) 4.073 3.810 ( -1.921 -1.656 1.411) 2.903 4.053 ( -0.485 2.333 0.654) 2.471 4.113 ( -4.322 3.448 0.611) 5.563 4.167 ( -2.981 0.713 1.219) 3.299 4.216 ( -0.122 -7.501 -1.357) 7.624 4.268 ( 1.713 10.796 0.104) 10.932 4.373 ( 3.672 8.687 -1.007) 9.485 4.536 ( 4.116 5.904 3.997) 8.233 4.624 ( 2.802 1.351 1.181) 3.327 4.634 ( 5.173 -0.347 4.442) 6.827 4.642 ( -1.535 2.270 4.269) 5.073 4.827 ( 0.056 -8.337 3.285) 8.961 4.859 ( 0.649 -9.545 -4.872) 10.736 5.005 ( -0.731 2.921 -0.717) 3.095 5.018 ( 3.718 0.059 -0.130) 3.721 5.142 ( 1.941 -0.212 -3.257) 3.797 5.181 ( -2.142 -2.359 -1.041) 3.352 5.286 ( 3.711 2.167 1.114) 4.440 5.297 ( -3.347 3.316 -4.799) 6.725 5.381 ( 4.270 -5.517 3.074) 7.624 5.444 ( -2.443 -4.477 -1.675) 5.368 5.486 ( 0.628 -0.572 -1.710) 1.909 5.553 ( -2.180 -4.920 -9.090) 10.563 5.672 ( 2.060 0.566 4.594) 5.067 5.734 ( 2.321 -4.513 0.312) 5.085 5.786 ( -2.428 1.182 3.598) 4.499 5.829 ( 0.058 -4.049 7.098) 8.172 5.944 ( -0.567 6.124 -3.788) 7.224 6.034 ( -1.232 -0.412 -3.625) 3.851 6.106 ( -0.905 1.125 3.109) 3.428 6.158 ( -0.445 -2.007 3.991) 4.490 6.201 ( 1.457 8.983 3.618) 9.794 6.324 ( 3.227 -2.205 -2.710) 4.756 6.368 ( -6.278 0.489 -2.755) 6.873 6.385 ( -5.606 -0.267 -1.266) 5.753 6.567 ( 7.713 7.193 -2.559) 10.852 6.621 ( 0.778 -0.302 -1.319) 1.561 6.644 ( -1.581 2.942 1.734) 3.763 6.720 ( -0.662 -3.341 -0.010) 3.406 6.808 ( 4.759 1.623 -2.480) 5.606 6.828 ( 3.062 -1.648 -0.583) 3.526 6.916 ( -1.048 2.675 2.520) 3.821 7.035 ( 2.771 -6.573 -2.745) 7.643 7.298 ( -1.073 7.627 6.066) 9.804 7.334 ( -1.276 2.075 3.297) 4.099 7.368 ( -2.352 2.409 -0.952) 3.499 7.454 ( 1.013 -3.392 0.174) 3.544 7.566 ( 2.801 8.816 -2.270) 9.525 7.589 ( -0.451 4.173 -1.664) 4.515 7.643 ( -5.611 -4.935 -1.318) 7.588 7.665 ( -0.721 -1.305 0.934) 1.759 7.765 ( -1.487 -1.096 1.266) 2.239 7.813 ( 2.552 -3.349 0.635) 4.258 7.825 ( -3.132 0.167 -2.498) 4.010 7.884 ( -3.849 -2.996 -4.009) 6.314 8.116 ( -0.166 4.775 2.338) 5.319 8.206 ( 0.021 -2.942 -2.540) 3.887 8.290 ( -2.318 5.149 0.036) 5.647 8.361 ( 1.647 -1.688 0.169) 2.364 8.450 ( -0.481 0.651 1.444) 1.656 8.467 ( 0.434 1.828 0.589) 1.969 8.520 ( -2.154 3.518 1.629) 4.435 8.598 ( 3.626 -2.555 1.171) 4.588 8.759 ( 1.217 4.033 -1.853) 4.602 8.811 ( -0.884 -0.314 -5.701) 5.778 8.960 ( -4.670 2.555 -2.568) 5.910 8.992 ( 4.370 -1.310 3.413) 5.698 9.291 ( -2.409 5.491 6.072) 8.534 9.348 ( -4.576 0.670 5.434) 7.136 9.534 ( 2.844 8.821 -3.682) 9.972 9.589 ( 4.591 2.438 1.922) 5.542 9.702 ( 0.912 -5.253 -0.081) 5.333 9.726 ( -1.885 -6.566 -5.067) 8.506 9.941 ( -4.628 4.035 1.274) 6.271 9.983 ( -0.778 -0.526 1.918) 2.136 10.204 ( -0.447 8.199 1.391) 8.329 10.307 ( -2.622 -1.466 -3.307) 4.468 10.622 ( -2.111 10.774 -0.508) 10.991 10.716 ( 4.306 3.791 -0.909) 5.809 10.853 ( -4.496 -3.113 -1.326) 5.627 10.883 ( 0.330 -5.363 -0.279) 5.381 11.141 ( 0.053 8.085 2.048) 8.341 11.250 ( -0.321 -3.140 -0.434) 3.186 11.404 ( 7.036 1.747 0.743) 7.288 11.417 ( 5.730 0.704 1.673) 6.010 11.741 ( 1.953 2.944 3.150) 4.733 11.804 ( 1.804 -2.482 0.325) 3.085 11.964 ( -1.142 1.725 -1.654) 2.649 12.029 ( -0.970 -3.999 -4.134) 5.833 12.507 ( -4.128 0.465 1.076) 4.291 12.554 ( -2.779 -4.419 -0.118) 5.222 12.636 ( -2.955 -1.070 -1.358) 3.424 12.657 ( 1.711 -3.089 0.275) 3.542 13.583 ( -0.024 1.197 -0.139) 1.205 13.588 ( -0.612 0.562 -0.588) 1.018 13.810 ( -0.529 4.731 0.803) 4.828 13.837 ( -0.123 2.323 -0.243) 2.339 14.319 ( -1.991 1.157 0.678) 2.400 14.377 ( -2.598 -3.749 0.848) 4.639 14.565 ( 4.415 4.041 1.961) 6.298 14.705 ( 7.967 -9.119 1.774) 12.238 14.985 ( 5.373 2.011 3.649) 6.799 15.017 ( 1.773 -1.063 0.670) 2.173 15.323 ( -1.596 1.896 -3.813) 4.548 15.363 ( -4.948 -2.204 -8.834) 10.362 15.847 ( 0.726 3.449 1.598) 3.870 15.893 ( 1.891 -1.142 0.382) 2.242 16.073 ( -1.531 2.434 3.383) 4.440 16.127 ( -1.418 -2.922 0.931) 3.379 16.459 ( -0.531 4.314 0.925) 4.444 16.498 ( -1.323 0.892 -0.255) 1.616 16.772 ( -2.067 3.145 -2.798) 4.690 16.804 ( 1.540 0.085 -1.755) 2.337 17.438 ( -3.593 17.582 1.267) 17.990 17.522 ( -0.829 20.015 0.018) 20.032 17.663 ( 1.476 12.084 3.397) 12.638 17.738 ( 1.067 2.535 -0.417) 2.782 17.952 ( 0.147 -18.659 1.330) 18.707 18.033 ( 1.913 -10.293 0.709) 10.493 18.045 ( 0.392 -7.865 -1.303) 7.982 18.250 ( 2.904 -14.096 -3.181) 14.739 19.755 ( -0.156 18.440 0.998) 18.467 19.789 ( 0.095 16.681 -1.171) 16.722 20.078 ( -0.360 -15.370 0.476) 15.382 20.089 ( -0.419 -14.611 -0.432) 14.623 ======================= Grid point 69 (40/55) ======================= q-point: (-0.20 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -6.753 2.616 3.263) 7.944 1.220 ( -6.949 -4.384 1.871) 8.426 1.479 ( -8.622 2.195 1.731) 9.064 1.509 ( -4.801 -1.204 0.029) 4.950 1.594 ( 0.089 2.908 1.787) 3.415 1.667 ( 0.288 -2.877 2.966) 4.142 1.765 ( 0.501 0.505 -3.170) 3.249 1.804 ( 1.400 -1.003 -2.315) 2.886 1.880 ( -2.912 6.923 0.912) 7.566 1.982 ( -4.344 -2.590 -0.049) 5.058 2.041 ( -3.066 4.878 3.285) 6.632 2.130 ( -1.235 -2.774 1.181) 3.258 2.160 ( -5.729 0.741 -0.103) 5.778 2.171 ( -4.452 2.141 0.612) 4.978 2.221 ( -2.333 -1.627 1.953) 3.450 2.280 ( -2.656 -5.150 2.777) 6.426 2.311 ( -0.391 1.708 -3.938) 4.311 2.365 ( 1.645 -1.136 -1.413) 2.448 2.397 ( -0.542 -1.265 -0.476) 1.456 2.417 ( 0.091 -5.426 -2.955) 6.179 2.448 ( 2.691 0.852 -3.078) 4.176 2.479 ( -0.628 -1.469 -4.008) 4.315 2.588 ( 2.533 2.951 -0.093) 3.890 2.621 ( -0.369 1.474 0.570) 1.623 2.651 ( 2.380 2.642 0.127) 3.559 2.691 ( 2.576 -1.769 -0.615) 3.185 2.730 ( 1.121 0.537 -1.287) 1.789 2.775 ( -0.443 -3.129 0.209) 3.167 2.893 ( -1.392 3.512 -1.816) 4.192 2.933 ( -1.259 0.910 -0.184) 1.564 2.960 ( -1.401 0.709 -0.072) 1.572 3.038 ( -1.190 -2.819 -2.061) 3.689 3.114 ( -4.305 1.422 1.306) 4.719 3.140 ( -2.471 0.720 2.122) 3.335 3.236 ( 6.072 -0.725 -1.601) 6.322 3.270 ( -1.834 -2.580 0.403) 3.191 3.310 ( 1.522 1.854 -4.379) 4.993 3.382 ( -2.503 -3.230 2.612) 4.850 3.456 ( -0.858 2.821 1.028) 3.122 3.587 ( 6.399 -2.863 4.372) 8.262 3.628 ( -4.143 0.412 -0.500) 4.194 3.692 ( -1.767 0.948 1.043) 2.260 3.729 ( -1.303 -3.862 4.311) 5.933 3.749 ( -3.632 -4.110 -0.015) 5.485 4.053 ( -0.996 6.657 -0.795) 6.777 4.070 ( 1.066 0.050 -0.210) 1.088 4.124 ( -0.777 9.481 -0.798) 9.546 4.218 ( 0.195 -5.992 0.002) 5.995 4.286 ( 3.182 1.573 -2.613) 4.408 4.450 ( 1.424 -4.366 0.806) 4.663 4.536 ( -3.563 10.991 3.666) 12.122 4.682 ( 0.869 -0.521 0.803) 1.293 4.753 ( 3.970 2.429 -2.344) 5.211 4.793 ( -1.645 7.110 -3.547) 8.114 4.839 ( 8.687 0.221 2.167) 8.956 4.855 ( -1.676 -0.937 -1.475) 2.421 4.985 ( 8.120 -4.971 2.936) 9.963 5.035 ( 1.353 -5.807 2.403) 6.429 5.168 ( 0.238 3.339 -7.001) 7.761 5.235 ( 2.592 -4.135 -1.620) 5.142 5.247 ( 1.319 3.470 2.152) 4.291 5.354 ( -2.046 -0.572 -0.941) 2.324 5.367 ( -2.496 -2.097 -0.494) 3.297 5.421 ( -0.349 -8.808 -1.943) 9.026 5.467 ( 3.851 -3.091 1.402) 5.133 5.537 ( 1.371 -5.274 4.221) 6.893 5.670 ( -4.303 2.524 0.507) 5.015 5.721 ( -7.355 -2.930 -4.102) 8.916 5.808 ( 1.068 2.533 6.077) 6.670 5.875 ( 6.853 -3.418 2.694) 8.118 5.935 ( -1.838 2.964 -2.494) 4.288 5.984 ( -1.587 -0.015 -3.017) 3.409 6.122 ( 2.810 5.371 -1.033) 6.149 6.188 ( 0.498 2.198 4.351) 4.900 6.221 ( -1.335 4.123 2.886) 5.207 6.281 ( -1.507 0.132 2.634) 3.038 6.355 ( 3.077 2.159 -2.235) 4.373 6.370 ( 2.661 -1.541 -1.689) 3.508 6.513 ( -8.106 3.620 0.119) 8.878 6.581 ( -5.553 -1.811 2.711) 6.440 6.710 ( 7.688 5.518 -2.112) 9.696 6.803 ( 6.146 -3.874 -0.695) 7.298 6.864 ( 3.035 3.237 -2.063) 4.893 6.901 ( 4.604 0.211 -1.130) 4.745 6.949 ( 2.099 2.165 1.197) 3.244 7.091 ( 5.373 -7.454 -5.197) 10.557 7.260 ( -4.783 7.221 -2.861) 9.122 7.333 ( -1.604 3.102 3.843) 5.193 7.351 ( 0.477 1.291 4.191) 4.412 7.437 ( -4.606 3.878 -2.576) 6.548 7.461 ( -5.672 -5.527 0.762) 7.956 7.548 ( -0.107 2.337 -2.105) 3.147 7.606 ( -2.173 -4.394 1.672) 5.179 7.684 ( -4.335 2.361 -1.025) 5.042 7.686 ( -1.352 -1.318 3.375) 3.867 7.771 ( -2.441 -2.493 -0.081) 3.490 7.796 ( 0.222 3.599 0.801) 3.694 7.914 ( 4.696 -6.787 -2.621) 8.660 8.108 ( -3.107 2.937 4.152) 5.960 8.187 ( -2.405 -3.596 2.055) 4.790 8.279 ( 2.604 7.365 -1.297) 7.919 8.383 ( 1.987 -2.588 -1.425) 3.561 8.402 ( -2.141 3.720 -2.035) 4.750 8.450 ( -1.308 -1.506 -0.302) 2.018 8.515 ( -3.339 6.088 -1.128) 7.034 8.603 ( -3.785 -3.326 -1.351) 5.216 8.712 ( -0.144 6.441 -0.144) 6.444 8.803 ( 2.971 -3.463 -2.415) 5.162 8.961 ( 2.524 8.365 2.483) 9.083 9.089 ( 2.295 -4.105 2.224) 5.202 9.275 ( -4.410 5.220 2.969) 7.451 9.304 ( 1.242 3.271 1.635) 3.862 9.523 ( 0.233 3.685 -4.676) 5.958 9.613 ( -3.544 -7.090 -5.998) 9.940 9.669 ( 1.059 4.127 2.087) 4.744 9.770 ( 1.095 -4.728 1.202) 5.000 9.836 ( -3.919 4.999 2.135) 6.701 9.925 ( -4.608 -4.135 1.265) 6.319 10.214 ( -1.251 7.192 0.304) 7.306 10.270 ( -0.226 1.478 -1.334) 2.004 10.599 ( 0.380 8.631 1.160) 8.717 10.713 ( -4.440 -1.629 -1.510) 4.965 10.808 ( 3.639 5.513 1.528) 6.780 10.902 ( -0.253 -2.600 3.231) 4.155 11.174 ( 1.898 5.054 -1.468) 5.595 11.242 ( -0.119 -0.490 -2.724) 2.771 11.524 ( 6.094 0.764 -2.201) 6.524 11.564 ( 5.690 -2.322 -1.617) 6.355 11.772 ( 1.109 4.801 -0.865) 5.003 11.855 ( 2.704 -1.768 -1.990) 3.794 11.958 ( 0.020 0.892 2.384) 2.545 12.012 ( 1.058 -3.148 1.507) 3.647 12.436 ( -3.976 -0.548 3.014) 5.019 12.475 ( -4.499 -4.867 0.943) 6.695 12.559 ( -3.419 4.008 -1.017) 5.366 12.664 ( -0.502 -6.905 -0.823) 6.972 13.580 ( 0.128 1.149 0.303) 1.195 13.590 ( 0.328 0.263 1.094) 1.172 13.803 ( -0.665 4.759 0.655) 4.850 13.830 ( -0.294 2.268 -0.347) 2.313 14.287 ( -0.776 0.335 0.485) 0.975 14.343 ( -1.780 -5.096 2.920) 6.137 14.709 ( 5.410 6.566 -2.577) 8.890 14.811 ( 0.027 -2.822 -3.822) 4.751 15.053 ( 4.266 -2.990 -5.604) 7.651 15.059 ( 6.052 -3.732 -0.341) 7.118 15.295 ( 1.309 3.781 4.023) 5.674 15.363 ( 2.378 -2.871 4.999) 6.236 15.857 ( -0.638 3.614 -0.711) 3.738 15.911 ( 0.143 -1.896 -1.424) 2.376 16.028 ( -3.986 2.324 1.020) 4.725 16.080 ( -2.834 -2.639 -0.678) 3.932 16.469 ( 0.538 2.191 1.959) 2.988 16.483 ( -0.551 1.071 1.254) 1.739 16.717 ( -0.892 5.451 -3.354) 6.462 16.780 ( -2.632 -0.647 -1.102) 2.926 17.380 ( -2.441 19.431 0.995) 19.609 17.480 ( -2.366 18.561 -0.087) 18.711 17.706 ( 0.279 -3.893 2.122) 4.442 17.783 ( 2.449 2.945 -0.760) 3.905 17.943 ( -0.479 -9.502 2.942) 9.958 18.032 ( 1.429 5.117 -3.402) 6.309 18.149 ( 4.961 -15.680 1.878) 16.553 18.287 ( 2.481 -14.822 -2.187) 15.187 19.754 ( -0.827 17.698 1.261) 17.762 19.789 ( 0.877 15.779 -1.462) 15.871 20.067 ( -0.983 -15.126 0.599) 15.170 20.078 ( -0.277 -14.228 -0.539) 14.241 ======================= Grid point 90 (41/55) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 5.622 0.000 -12.636) 13.830 0.649 ( -5.622 0.000 12.636) 13.830 0.936 ( -7.196 0.000 -19.661) 20.936 0.936 ( 7.196 0.000 19.661) 20.936 1.351 ( -6.179 0.000 -7.109) 9.419 1.351 ( 6.179 0.000 7.109) 9.419 1.616 ( 0.489 0.000 -4.167) 4.196 1.616 ( -0.489 0.000 4.167) 4.196 1.739 ( -3.027 0.000 -3.941) 4.969 1.739 ( 3.027 0.000 3.941) 4.969 1.795 ( -3.426 0.000 -17.225) 17.562 1.795 ( 3.426 0.000 17.225) 17.562 1.896 ( 3.303 0.000 -11.298) 11.771 1.896 ( -3.303 0.000 11.298) 11.771 2.024 ( 4.320 0.000 -12.890) 13.594 2.024 ( -4.320 0.000 12.890) 13.594 2.174 ( 3.653 0.000 -4.810) 6.040 2.174 ( -3.653 0.000 4.810) 6.040 2.348 ( -3.257 0.000 -2.780) 4.282 2.348 ( 3.257 0.000 2.780) 4.282 2.465 ( -1.333 0.000 -1.777) 2.222 2.465 ( 1.333 0.000 1.777) 2.222 2.601 ( 5.028 0.000 -5.942) 7.784 2.601 ( -5.028 0.000 5.942) 7.784 2.704 ( -5.893 0.000 0.251) 5.899 2.704 ( 5.893 0.000 -0.251) 5.899 2.828 ( 2.912 0.000 -3.716) 4.722 2.828 ( -2.912 0.000 3.716) 4.722 2.944 ( 0.456 0.000 -12.946) 12.954 2.944 ( -0.456 0.000 12.946) 12.954 3.117 ( -0.209 0.000 -5.544) 5.548 3.117 ( 0.209 0.000 5.544) 5.548 3.278 ( -1.930 0.000 -7.359) 7.607 3.278 ( 1.930 0.000 7.359) 7.607 3.391 ( -3.543 0.000 -4.625) 5.826 3.391 ( 3.543 0.000 4.625) 5.826 3.491 ( 0.960 0.000 -0.827) 1.267 3.491 ( -0.960 0.000 0.827) 1.267 3.620 ( 5.011 0.000 -2.995) 5.837 3.620 ( -5.011 0.000 2.995) 5.837 3.824 ( -5.327 0.000 -1.682) 5.586 3.824 ( 5.327 0.000 1.682) 5.586 4.057 ( 0.283 0.000 -1.697) 1.721 4.057 ( -0.283 0.000 1.697) 1.721 4.092 ( -2.500 0.000 -7.413) 7.824 4.092 ( 2.500 0.000 7.413) 7.824 4.170 ( -3.123 0.000 -1.907) 3.660 4.170 ( 3.123 0.000 1.907) 3.660 4.278 ( -6.252 0.000 -5.706) 8.464 4.278 ( 6.252 0.000 5.706) 8.464 4.656 ( -5.498 0.000 -2.556) 6.064 4.656 ( 5.498 0.000 2.556) 6.064 4.869 ( 1.915 0.000 -7.122) 7.375 4.869 ( -1.915 0.000 7.122) 7.375 4.933 ( 3.032 0.000 -2.331) 3.824 4.933 ( -3.032 0.000 2.331) 3.824 5.084 ( -1.527 0.000 -0.839) 1.743 5.084 ( 1.527 0.000 0.839) 1.743 5.273 ( -3.584 0.000 -6.664) 7.567 5.273 ( 3.584 0.000 6.664) 7.567 5.339 ( -4.003 0.000 -1.114) 4.156 5.339 ( 4.003 0.000 1.114) 4.156 5.380 ( -7.669 0.000 -0.658) 7.698 5.380 ( 7.669 0.000 0.658) 7.698 5.511 ( -1.375 0.000 -3.735) 3.980 5.511 ( 1.375 0.000 3.735) 3.980 5.664 ( -4.088 0.000 -0.793) 4.164 5.664 ( 4.088 0.000 0.793) 4.164 5.702 ( 0.223 0.000 -3.693) 3.700 5.702 ( -0.223 0.000 3.693) 3.700 5.921 ( -1.836 0.000 -0.642) 1.945 5.921 ( 1.836 0.000 0.642) 1.945 5.962 ( -5.497 0.000 -1.128) 5.612 5.962 ( 5.497 0.000 1.128) 5.612 6.066 ( -2.537 0.000 -0.504) 2.587 6.066 ( 2.537 0.000 0.504) 2.587 6.371 ( -8.995 0.000 -0.685) 9.021 6.371 ( 8.995 0.000 0.685) 9.021 6.420 ( -2.021 0.000 -1.659) 2.615 6.420 ( 2.021 0.000 1.659) 2.615 6.611 ( 4.748 0.000 -2.080) 5.184 6.611 ( -4.748 0.000 2.080) 5.184 6.775 ( 3.009 0.000 -3.316) 4.477 6.775 ( -3.009 0.000 3.316) 4.477 7.007 ( 2.780 0.000 -4.641) 5.410 7.007 ( -2.780 0.000 4.641) 5.410 7.081 ( 5.030 0.000 -2.995) 5.854 7.081 ( -5.030 0.000 2.995) 5.854 7.278 ( -11.984 0.000 0.679) 12.003 7.278 ( 11.984 0.000 -0.679) 12.003 7.420 ( 1.216 0.000 -1.780) 2.156 7.420 ( -1.216 0.000 1.780) 2.156 7.529 ( -4.268 0.000 -8.787) 9.769 7.529 ( 4.268 0.000 8.787) 9.769 7.654 ( -6.872 0.000 -1.748) 7.090 7.654 ( 6.872 0.000 1.748) 7.090 7.856 ( -0.215 0.000 -3.599) 3.605 7.856 ( 0.215 0.000 3.599) 3.605 7.876 ( 0.095 0.000 -1.564) 1.567 7.876 ( -0.095 0.000 1.564) 1.567 8.054 ( -0.563 0.000 -6.554) 6.578 8.054 ( 0.563 0.000 6.554) 6.578 8.149 ( -0.541 0.000 -0.245) 0.594 8.149 ( 0.541 0.000 0.245) 0.594 8.371 ( 4.076 0.000 -3.695) 5.501 8.371 ( -4.076 0.000 3.695) 5.501 8.623 ( -11.925 0.000 3.819) 12.522 8.623 ( 11.925 0.000 -3.819) 12.522 8.862 ( 0.933 0.000 -4.948) 5.035 8.862 ( -0.933 0.000 4.948) 5.035 9.060 ( 4.146 0.000 -1.657) 4.465 9.060 ( -4.146 0.000 1.657) 4.465 9.293 ( 2.385 0.000 -2.459) 3.426 9.293 ( -2.385 0.000 2.459) 3.426 9.466 ( -6.228 0.000 -1.323) 6.367 9.466 ( 6.228 0.000 1.323) 6.367 9.811 ( -3.460 0.000 -2.138) 4.067 9.811 ( 3.460 0.000 2.138) 4.067 10.010 ( -3.614 0.000 -0.958) 3.739 10.010 ( 3.614 0.000 0.958) 3.739 10.143 ( 2.352 0.000 -6.310) 6.734 10.143 ( -2.352 0.000 6.310) 6.734 10.657 ( -0.139 0.000 -10.142) 10.143 10.657 ( 0.139 0.000 10.142) 10.143 10.872 ( 5.948 0.000 -3.364) 6.833 10.872 ( -5.948 0.000 3.364) 6.833 11.693 ( 1.987 0.000 -2.608) 3.279 11.693 ( -1.987 0.000 2.608) 3.279 11.866 ( 0.093 0.000 -1.317) 1.320 11.866 ( -0.093 0.000 1.317) 1.320 11.971 ( -6.395 0.000 -2.030) 6.709 11.971 ( 6.395 0.000 2.030) 6.709 12.555 ( -11.754 0.000 -2.464) 12.010 12.555 ( 11.754 0.000 2.464) 12.010 13.040 ( 1.866 0.000 -10.590) 10.753 13.040 ( -1.866 0.000 10.590) 10.753 13.401 ( 0.478 0.000 -4.658) 4.683 13.401 ( -0.478 0.000 4.658) 4.683 13.639 ( -0.017 0.000 -3.776) 3.776 13.639 ( 0.017 0.000 3.776) 3.776 14.306 ( -5.788 0.000 -0.186) 5.791 14.306 ( 5.788 0.000 0.186) 5.791 14.635 ( -2.660 0.000 -7.657) 8.106 14.635 ( 2.660 0.000 7.657) 8.106 15.134 ( -3.490 0.000 -6.559) 7.430 15.134 ( 3.490 0.000 6.559) 7.430 15.416 ( -6.211 0.000 -0.088) 6.211 15.416 ( 6.211 0.000 0.088) 6.211 15.659 ( -1.959 0.000 -5.118) 5.480 15.659 ( 1.959 0.000 5.118) 5.480 15.881 ( 0.890 0.000 -6.444) 6.505 15.881 ( -0.890 0.000 6.444) 6.505 16.270 ( -0.123 0.000 -1.336) 1.342 16.270 ( 0.123 0.000 1.336) 1.342 16.848 ( -11.289 0.000 -0.201) 11.291 16.848 ( 11.289 0.000 0.201) 11.291 17.084 ( -2.483 0.000 -3.817) 4.553 17.084 ( 2.483 0.000 3.817) 4.553 17.493 ( -6.467 0.000 -2.941) 7.104 17.493 ( 6.467 0.000 2.941) 7.104 17.735 ( -0.266 0.000 -0.087) 0.280 17.735 ( 0.266 0.000 0.087) 0.280 18.769 ( -6.362 0.000 1.392) 6.512 18.769 ( 6.362 0.000 -1.392) 6.512 19.191 ( 2.633 0.000 -3.493) 4.374 19.191 ( -2.633 0.000 3.493) 4.374 20.690 ( -2.024 0.000 0.646) 2.125 20.690 ( 2.024 0.000 -0.646) 2.125 ======================= Grid point 92 (42/55) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.752 ( 4.600 0.000 -19.349) 19.888 1.002 ( 26.930 0.000 -8.456) 28.226 1.014 ( 24.413 0.000 9.015) 26.024 1.230 ( 9.196 0.000 15.146) 17.719 1.328 ( 4.399 0.000 -2.971) 5.308 1.452 ( -8.577 0.000 -9.835) 13.050 1.578 ( 0.874 0.000 -5.543) 5.611 1.592 ( 4.853 0.000 -3.350) 5.897 1.647 ( 3.838 0.000 -1.914) 4.289 1.672 ( -3.148 0.000 -2.145) 3.809 1.765 ( 3.555 0.000 -0.100) 3.556 1.844 ( -0.421 0.000 -0.300) 0.517 1.952 ( 9.799 0.000 -6.754) 11.901 1.967 ( 0.216 0.000 7.400) 7.403 2.134 ( 10.331 0.000 -3.741) 10.987 2.214 ( 6.386 0.000 5.709) 8.566 2.243 ( -2.950 0.000 0.596) 3.010 2.273 ( 5.843 0.000 23.982) 24.683 2.323 ( 8.841 0.000 -3.932) 9.676 2.418 ( -0.472 0.000 5.574) 5.594 2.485 ( 3.086 0.000 0.234) 3.095 2.534 ( 0.298 0.000 3.541) 3.554 2.577 ( 3.822 0.000 0.500) 3.855 2.615 ( -2.406 0.000 2.697) 3.614 2.655 ( 3.948 0.000 -6.539) 7.638 2.754 ( 0.799 0.000 -10.471) 10.501 2.811 ( -2.899 0.000 6.085) 6.740 2.868 ( 1.731 0.000 -3.045) 3.503 2.889 ( 5.290 0.000 -5.293) 7.484 2.977 ( -4.796 0.000 8.925) 10.132 3.075 ( -2.820 0.000 -2.589) 3.828 3.142 ( -3.743 0.000 2.661) 4.592 3.199 ( 1.051 0.000 -1.399) 1.750 3.302 ( -4.723 0.000 2.497) 5.343 3.318 ( -1.730 0.000 2.644) 3.160 3.438 ( -3.454 0.000 2.462) 4.241 3.442 ( -4.362 0.000 -2.007) 4.802 3.492 ( -3.135 0.000 5.071) 5.961 3.570 ( -0.829 0.000 4.696) 4.768 3.703 ( 6.163 0.000 -2.316) 6.584 3.745 ( 0.183 0.000 -0.389) 0.430 3.896 ( 0.261 0.000 1.057) 1.089 3.986 ( -4.859 0.000 -6.460) 8.083 4.033 ( -5.714 0.000 -0.546) 5.740 4.090 ( 1.114 0.000 -0.703) 1.317 4.123 ( 1.593 0.000 -3.427) 3.780 4.155 ( 5.756 0.000 -0.872) 5.822 4.190 ( 2.008 0.000 -2.401) 3.130 4.302 ( 4.713 0.000 5.170) 6.996 4.369 ( -10.827 0.000 4.507) 11.727 4.461 ( -0.651 0.000 -6.322) 6.355 4.671 ( -6.645 0.000 1.640) 6.845 4.838 ( -1.959 0.000 5.657) 5.987 4.851 ( 2.183 0.000 -5.749) 6.149 4.894 ( -3.242 0.000 -0.602) 3.297 4.942 ( -2.648 0.000 -1.190) 2.903 5.033 ( -0.839 0.000 -1.808) 1.993 5.119 ( 4.250 0.000 -1.865) 4.641 5.170 ( -6.414 0.000 2.403) 6.849 5.215 ( -5.618 0.000 4.396) 7.133 5.241 ( -1.668 0.000 -2.983) 3.418 5.342 ( 0.082 0.000 -2.620) 2.621 5.366 ( -2.500 0.000 -3.472) 4.279 5.425 ( -3.539 0.000 2.057) 4.093 5.464 ( 1.398 0.000 5.534) 5.707 5.573 ( 2.538 0.000 2.379) 3.479 5.598 ( -3.807 0.000 0.624) 3.857 5.679 ( -1.865 0.000 -1.210) 2.223 5.775 ( 5.860 0.000 2.491) 6.367 5.797 ( 1.210 0.000 -1.274) 1.757 5.885 ( -1.662 0.000 0.687) 1.798 5.897 ( -0.242 0.000 -0.439) 0.501 6.010 ( 5.551 0.000 3.824) 6.741 6.054 ( 4.391 0.000 0.480) 4.417 6.138 ( 5.091 0.000 3.323) 6.079 6.148 ( 12.312 0.000 0.117) 12.313 6.354 ( 4.263 0.000 -2.102) 4.753 6.398 ( 0.890 0.000 -0.958) 1.308 6.512 ( 3.597 0.000 1.470) 3.886 6.546 ( -1.520 0.000 2.551) 2.970 6.572 ( 0.825 0.000 -1.042) 1.329 6.728 ( 5.356 0.000 -2.499) 5.910 6.805 ( -0.979 0.000 2.767) 2.935 6.832 ( 8.324 0.000 7.517) 11.216 6.940 ( -7.321 0.000 5.749) 9.308 6.953 ( -8.797 0.000 -5.472) 10.360 6.960 ( -6.159 0.000 1.192) 6.274 7.048 ( 1.368 0.000 -3.478) 3.738 7.174 ( -0.459 0.000 0.323) 0.562 7.332 ( -6.822 0.000 -1.917) 7.086 7.356 ( -3.789 0.000 -0.066) 3.790 7.433 ( 0.330 0.000 -3.883) 3.897 7.457 ( 1.579 0.000 -6.928) 7.106 7.565 ( 1.955 0.000 1.051) 2.219 7.740 ( 3.941 0.000 10.223) 10.956 7.771 ( 2.902 0.000 0.522) 2.949 7.808 ( -2.057 0.000 -2.968) 3.611 7.835 ( -3.752 0.000 2.430) 4.470 7.928 ( 7.605 0.000 -2.438) 7.986 7.961 ( 4.979 0.000 2.701) 5.664 7.987 ( -0.583 0.000 1.147) 1.287 8.100 ( -0.062 0.000 4.845) 4.846 8.147 ( 1.960 0.000 -1.004) 2.202 8.179 ( 0.758 0.000 2.047) 2.182 8.309 ( -3.596 0.000 3.172) 4.795 8.388 ( 0.366 0.000 -2.678) 2.703 8.510 ( -1.140 0.000 3.073) 3.277 8.747 ( 2.636 0.000 -12.828) 13.096 8.821 ( -5.228 0.000 1.123) 5.348 8.832 ( 2.020 0.000 -4.435) 4.873 9.028 ( -1.395 0.000 1.677) 2.181 9.151 ( 2.663 0.000 0.580) 2.725 9.219 ( -2.559 0.000 0.489) 2.606 9.232 ( -5.257 0.000 4.964) 7.230 9.446 ( 1.888 0.000 -0.064) 1.889 9.631 ( 6.196 0.000 3.624) 7.178 9.759 ( -0.981 0.000 -0.984) 1.389 9.833 ( -8.109 0.000 -7.060) 10.752 9.943 ( 1.700 0.000 3.589) 3.971 10.073 ( 2.435 0.000 3.122) 3.959 10.108 ( 2.090 0.000 -7.468) 7.755 10.117 ( -3.378 0.000 4.339) 5.499 10.565 ( -2.164 0.000 -7.476) 7.783 10.632 ( -9.816 0.000 5.054) 11.040 10.857 ( 2.596 0.000 4.660) 5.334 10.996 ( 8.373 0.000 -4.690) 9.597 11.617 ( -13.702 0.000 -5.225) 14.665 11.742 ( -0.648 0.000 1.759) 1.875 11.779 ( 2.927 0.000 1.994) 3.541 11.788 ( -4.943 0.000 0.967) 5.037 11.829 ( -2.977 0.000 0.160) 2.981 12.196 ( 8.523 0.000 2.155) 8.791 12.568 ( 13.148 0.000 2.703) 13.424 12.860 ( 15.014 0.000 -4.876) 15.786 13.019 ( 4.159 0.000 -6.895) 8.052 13.073 ( -2.419 0.000 13.312) 13.530 13.389 ( 1.669 0.000 -4.319) 4.630 13.421 ( -0.904 0.000 3.979) 4.080 13.612 ( 1.025 0.000 -5.946) 6.033 13.642 ( -2.855 0.000 3.638) 4.624 14.242 ( -1.754 0.000 3.382) 3.810 14.419 ( 1.995 0.000 -0.938) 2.204 14.570 ( 5.576 0.000 -5.537) 7.858 14.729 ( 3.161 0.000 4.171) 5.234 14.990 ( -5.732 0.000 -4.871) 7.522 15.130 ( -8.163 0.000 2.915) 8.668 15.227 ( -12.139 0.000 1.917) 12.289 15.435 ( -2.027 0.000 0.372) 2.061 15.716 ( 6.583 0.000 -2.239) 6.953 15.787 ( 5.484 0.000 4.411) 7.038 15.893 ( 4.454 0.000 -10.356) 11.274 15.935 ( 0.429 0.000 6.497) 6.511 16.201 ( -3.779 0.000 -6.561) 7.571 16.236 ( -3.305 0.000 -1.088) 3.479 16.412 ( -18.068 0.000 -12.291) 21.852 16.773 ( -13.836 0.000 -0.184) 13.837 17.085 ( 4.324 0.000 -2.121) 4.816 17.129 ( 0.045 0.000 4.407) 4.407 17.426 ( 2.078 0.000 -4.090) 4.588 17.559 ( -1.684 0.000 0.868) 1.895 17.747 ( 1.331 0.000 -0.169) 1.342 17.756 ( 1.342 0.000 0.253) 1.366 18.766 ( 4.492 0.000 0.614) 4.534 18.913 ( 4.196 0.000 5.751) 7.119 19.146 ( -4.223 0.000 3.817) 5.692 19.192 ( 0.163 0.000 -3.825) 3.829 20.689 ( 0.838 0.000 1.318) 1.562 20.737 ( 1.434 0.000 1.269) 1.915 ======================= Grid point 93 (43/55) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.845 ( 14.684 0.000 -9.267) 17.364 1.127 ( -15.162 0.000 -3.256) 15.508 1.219 ( 9.422 0.000 -20.473) 22.537 1.290 ( -11.034 0.000 15.127) 18.724 1.454 ( 14.663 0.000 2.446) 14.866 1.538 ( 7.417 0.000 11.671) 13.828 1.611 ( 1.843 0.000 2.933) 3.464 1.666 ( 2.642 0.000 -1.535) 3.055 1.722 ( 0.687 0.000 2.042) 2.155 1.780 ( -3.025 0.000 -6.980) 7.607 1.837 ( 12.246 0.000 -2.140) 12.432 1.867 ( 10.505 0.000 -2.816) 10.876 2.026 ( 1.215 0.000 3.781) 3.972 2.056 ( 0.146 0.000 -0.264) 0.301 2.193 ( 3.088 0.000 -3.484) 4.656 2.283 ( -2.983 0.000 0.343) 3.002 2.310 ( 6.169 0.000 0.792) 6.220 2.331 ( 0.514 0.000 -1.421) 1.511 2.463 ( 5.789 0.000 -2.971) 6.507 2.528 ( -3.435 0.000 2.277) 4.121 2.536 ( 2.994 0.000 6.087) 6.784 2.575 ( 5.809 0.000 -7.212) 9.261 2.670 ( 1.564 0.000 -5.331) 5.555 2.678 ( 0.708 0.000 11.481) 11.503 2.691 ( 5.349 0.000 -4.953) 7.290 2.733 ( -0.860 0.000 2.216) 2.377 2.784 ( 1.974 0.000 3.686) 4.182 2.820 ( -2.121 0.000 -6.065) 6.426 2.962 ( 0.668 0.000 18.036) 18.048 2.967 ( -2.892 0.000 -1.926) 3.474 3.021 ( 9.318 0.000 -7.742) 12.115 3.070 ( -8.076 0.000 2.179) 8.365 3.177 ( -7.343 0.000 8.147) 10.968 3.275 ( 1.117 0.000 0.535) 1.238 3.284 ( -1.608 0.000 -0.264) 1.629 3.309 ( -10.687 0.000 -4.991) 11.795 3.321 ( -3.382 0.000 0.240) 3.390 3.380 ( -6.228 0.000 -0.727) 6.270 3.645 ( 2.459 0.000 7.864) 8.240 3.751 ( -2.252 0.000 -7.179) 7.524 3.841 ( 5.808 0.000 4.765) 7.512 3.859 ( 2.234 0.000 -3.614) 4.249 3.918 ( -5.088 0.000 3.504) 6.178 3.951 ( 4.511 0.000 1.561) 4.773 4.048 ( -7.316 0.000 -5.400) 9.093 4.089 ( -2.766 0.000 -4.027) 4.886 4.154 ( 1.101 0.000 1.822) 2.129 4.265 ( -0.165 0.000 0.961) 0.975 4.301 ( -2.101 0.000 -0.296) 2.122 4.333 ( 5.930 0.000 0.685) 5.969 4.426 ( -1.758 0.000 -4.443) 4.778 4.490 ( -6.009 0.000 -4.282) 7.379 4.846 ( -0.573 0.000 0.435) 0.719 4.863 ( -4.535 0.000 5.561) 7.175 4.893 ( 3.721 0.000 -3.609) 5.184 4.904 ( 0.437 0.000 5.207) 5.225 5.045 ( 0.329 0.000 2.190) 2.215 5.075 ( -2.805 0.000 -0.977) 2.970 5.188 ( 4.540 0.000 -5.967) 7.498 5.195 ( -0.044 0.000 6.148) 6.149 5.274 ( 4.134 0.000 -1.252) 4.320 5.299 ( -5.735 0.000 4.532) 7.310 5.325 ( -0.179 0.000 -1.517) 1.527 5.334 ( 0.084 0.000 -3.924) 3.924 5.515 ( -3.966 0.000 3.514) 5.298 5.518 ( -4.267 0.000 -5.907) 7.287 5.569 ( 3.336 0.000 -0.619) 3.393 5.644 ( -1.418 0.000 -2.223) 2.637 5.792 ( -0.857 0.000 3.979) 4.071 5.805 ( -0.935 0.000 1.316) 1.615 5.912 ( 2.223 0.000 -2.641) 3.452 5.919 ( -0.182 0.000 3.863) 3.867 6.145 ( 2.809 0.000 5.438) 6.121 6.156 ( 3.450 0.000 0.167) 3.454 6.299 ( 9.937 0.000 0.094) 9.937 6.387 ( 8.865 0.000 0.328) 8.871 6.423 ( 0.624 0.000 2.486) 2.563 6.424 ( 2.955 0.000 -3.221) 4.371 6.512 ( -0.694 0.000 -5.668) 5.710 6.551 ( 4.975 0.000 3.942) 6.348 6.650 ( 6.268 0.000 0.248) 6.273 6.684 ( -10.834 0.000 -2.791) 11.188 6.700 ( -9.255 0.000 -0.182) 9.257 6.772 ( -1.096 0.000 0.290) 1.133 6.808 ( -1.818 0.000 0.192) 1.828 6.842 ( -6.686 0.000 -0.116) 6.687 7.087 ( -0.140 0.000 2.657) 2.660 7.094 ( 5.419 0.000 3.387) 6.390 7.151 ( -1.213 0.000 1.532) 1.954 7.151 ( -5.136 0.000 -7.793) 9.333 7.331 ( 1.371 0.000 -0.782) 1.578 7.379 ( -2.084 0.000 -2.597) 3.329 7.481 ( 6.641 0.000 -8.855) 11.068 7.578 ( -8.164 0.000 8.161) 11.544 7.745 ( 0.478 0.000 3.400) 3.433 7.766 ( -1.453 0.000 1.940) 2.424 7.810 ( 2.380 0.000 -2.017) 3.119 7.831 ( -0.959 0.000 2.826) 2.984 7.932 ( 0.551 0.000 2.170) 2.239 8.019 ( -1.222 0.000 -4.056) 4.236 8.135 ( 2.304 0.000 1.189) 2.592 8.158 ( 1.611 0.000 -1.603) 2.273 8.159 ( 1.850 0.000 2.391) 3.023 8.187 ( 0.251 0.000 2.557) 2.569 8.345 ( 1.518 0.000 7.355) 7.510 8.388 ( 1.422 0.000 -3.876) 4.129 8.581 ( 1.906 0.000 14.134) 14.262 8.672 ( 0.410 0.000 -10.030) 10.038 8.715 ( -4.171 0.000 -0.427) 4.193 8.768 ( -2.672 0.000 -12.295) 12.582 9.013 ( -0.100 0.000 1.589) 1.593 9.072 ( -4.608 0.000 -2.297) 5.148 9.251 ( -0.897 0.000 12.427) 12.460 9.281 ( 3.074 0.000 -1.909) 3.619 9.473 ( 0.656 0.000 0.694) 0.955 9.546 ( -4.675 0.000 -13.371) 14.165 9.745 ( 0.478 0.000 1.767) 1.831 9.748 ( -0.085 0.000 0.201) 0.218 10.005 ( 3.837 0.000 -1.312) 4.055 10.072 ( -3.964 0.000 2.441) 4.655 10.168 ( 4.140 0.000 4.191) 5.891 10.192 ( 5.934 0.000 -1.527) 6.128 10.460 ( -7.359 0.000 2.865) 7.897 10.472 ( -2.185 0.000 -7.261) 7.582 10.983 ( 3.850 0.000 8.433) 9.271 11.064 ( 2.362 0.000 -7.927) 8.272 11.445 ( -1.305 0.000 -0.636) 1.452 11.541 ( -10.019 0.000 -0.891) 10.058 11.798 ( 1.250 0.000 0.694) 1.430 11.818 ( -0.029 0.000 0.482) 0.483 11.963 ( 9.310 0.000 5.380) 10.753 12.173 ( -6.307 0.000 -6.472) 9.037 12.834 ( 7.754 0.000 1.687) 7.936 12.937 ( -3.283 0.000 1.456) 3.591 13.158 ( 7.547 0.000 4.446) 8.760 13.187 ( 4.522 0.000 3.783) 5.896 13.401 ( 2.230 0.000 -3.538) 4.182 13.419 ( -1.926 0.000 3.412) 3.919 13.589 ( 2.093 0.000 -9.333) 9.564 13.594 ( -4.475 0.000 5.951) 7.446 14.276 ( 0.870 0.000 7.118) 7.171 14.356 ( -1.632 0.000 -8.268) 8.427 14.803 ( 15.246 0.000 4.904) 16.015 14.836 ( 6.192 0.000 1.617) 6.400 14.895 ( -0.467 0.000 -2.157) 2.207 14.963 ( -7.084 0.000 -0.794) 7.128 15.014 ( -11.076 0.000 2.966) 11.466 15.199 ( -18.192 0.000 -9.043) 20.316 15.782 ( 8.052 0.000 -8.348) 11.598 15.869 ( -3.197 0.000 6.566) 7.303 15.942 ( 8.980 0.000 -10.350) 13.703 15.971 ( -0.614 0.000 6.889) 6.916 16.151 ( -3.973 0.000 -0.512) 4.005 16.152 ( -2.447 0.000 -2.625) 3.589 16.274 ( 6.496 0.000 0.941) 6.564 16.489 ( -13.733 0.000 -0.419) 13.739 17.146 ( 3.281 0.000 -3.117) 4.525 17.158 ( -0.738 0.000 4.369) 4.430 17.456 ( 3.254 0.000 -3.391) 4.700 17.505 ( -4.085 0.000 2.651) 4.870 17.771 ( 1.111 0.000 -0.355) 1.166 17.776 ( 0.353 0.000 0.406) 0.538 18.880 ( 7.197 0.000 -3.530) 8.016 18.961 ( -3.732 0.000 6.040) 7.100 19.114 ( -1.223 0.000 4.515) 4.677 19.152 ( -0.957 0.000 -4.572) 4.671 20.721 ( 1.428 0.000 0.734) 1.606 20.746 ( -0.761 0.000 0.214) 0.791 ======================= Grid point 96 (44/55) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 4.594 8.963 -11.178) 15.046 0.740 ( -4.594 8.963 11.178) 15.046 1.109 ( -2.925 14.972 -16.912) 22.776 1.109 ( 2.925 14.972 16.912) 22.776 1.350 ( -3.868 0.219 -9.656) 10.404 1.350 ( 3.868 0.219 9.656) 10.404 1.589 ( 0.581 -1.209 -3.815) 4.044 1.589 ( -0.581 -1.209 3.815) 4.044 1.785 ( -3.640 3.288 -3.042) 5.772 1.785 ( 3.640 3.288 3.042) 5.772 1.898 ( -0.407 9.931 -5.738) 11.477 1.898 ( 0.407 9.931 5.738) 11.477 2.005 ( 3.280 8.225 -2.991) 9.347 2.005 ( -3.280 8.225 2.991) 9.347 2.170 ( 1.647 13.985 -16.514) 21.702 2.170 ( -1.647 13.985 16.514) 21.702 2.231 ( 0.444 5.561 -6.254) 8.381 2.231 ( -0.444 5.561 6.254) 8.381 2.334 ( -1.752 -1.319 -1.839) 2.862 2.334 ( 1.752 -1.319 1.839) 2.862 2.473 ( -2.111 1.112 -2.901) 3.756 2.473 ( 2.111 1.112 2.901) 3.756 2.589 ( 1.361 -2.389 -5.372) 6.035 2.589 ( -1.361 -2.389 5.372) 6.035 2.647 ( -3.723 -2.737 -1.420) 4.834 2.647 ( 3.723 -2.737 1.420) 4.834 2.797 ( 1.562 -3.445 -2.819) 4.717 2.797 ( -1.562 -3.445 2.819) 4.717 2.881 ( 0.499 -5.023 -9.554) 10.805 2.881 ( -0.499 -5.023 9.554) 10.805 3.098 ( -1.546 -2.112 -5.110) 5.742 3.098 ( 1.546 -2.112 5.110) 5.742 3.219 ( -1.731 -4.027 -9.164) 10.159 3.219 ( 1.731 -4.027 9.164) 10.159 3.379 ( -2.921 -2.466 -0.261) 3.832 3.379 ( 2.921 -2.466 0.261) 3.832 3.440 ( 0.642 -5.805 -3.094) 6.610 3.440 ( -0.642 -5.805 3.094) 6.610 3.626 ( -3.019 -0.255 0.087) 3.031 3.626 ( 3.019 -0.255 -0.087) 3.031 3.793 ( -4.297 -3.647 -0.865) 5.702 3.793 ( 4.297 -3.647 0.865) 5.702 3.945 ( 0.191 -6.085 -3.253) 6.903 3.945 ( -0.191 -6.085 3.253) 6.903 4.057 ( -1.400 -4.235 -2.813) 5.274 4.057 ( 1.400 -4.235 2.813) 5.274 4.164 ( 2.116 -1.012 -4.542) 5.111 4.164 ( -2.116 -1.012 4.542) 5.111 4.341 ( -2.980 4.663 -4.283) 6.998 4.341 ( 2.980 4.663 4.283) 6.998 4.640 ( -2.196 -1.914 -4.009) 4.955 4.640 ( 2.196 -1.914 4.009) 4.955 4.800 ( -0.229 -4.038 -3.116) 5.106 4.800 ( 0.229 -4.038 3.116) 5.106 4.997 ( 3.787 1.955 -5.145) 6.681 4.997 ( -3.787 1.955 5.145) 6.681 5.132 ( -1.936 3.007 -0.370) 3.596 5.132 ( 1.936 3.007 0.370) 3.596 5.272 ( -5.964 0.118 -5.864) 8.365 5.272 ( 5.964 0.118 5.864) 8.365 5.308 ( 4.918 -0.368 -3.725) 6.181 5.308 ( -4.918 -0.368 3.725) 6.181 5.389 ( 0.944 0.618 -5.742) 5.852 5.389 ( -0.944 0.618 5.742) 5.852 5.523 ( -5.459 -1.022 -0.873) 5.622 5.523 ( 5.459 -1.022 0.873) 5.622 5.639 ( -4.362 3.798 -3.880) 6.964 5.639 ( 4.362 3.798 3.880) 6.964 5.766 ( -2.867 2.972 -2.946) 5.073 5.766 ( 2.867 2.972 2.946) 5.073 5.872 ( 1.735 -3.298 -3.853) 5.360 5.872 ( -1.735 -3.298 3.853) 5.360 6.008 ( -3.047 -1.403 -1.592) 3.713 6.008 ( 3.047 -1.403 1.592) 3.713 6.052 ( -2.298 4.007 -2.135) 5.089 6.052 ( 2.298 4.007 2.135) 5.089 6.284 ( -6.147 -2.747 0.385) 6.744 6.284 ( 6.147 -2.747 -0.385) 6.744 6.484 ( -1.135 0.900 -1.737) 2.262 6.484 ( 1.135 0.900 1.737) 2.262 6.603 ( -4.218 -0.319 0.297) 4.240 6.603 ( 4.218 -0.319 -0.297) 4.240 6.826 ( 2.716 3.571 -3.425) 5.644 6.826 ( -2.716 3.571 3.425) 5.644 7.030 ( -1.487 3.084 -3.476) 4.879 7.030 ( 1.487 3.084 3.476) 4.879 7.111 ( 3.000 3.596 -1.592) 4.947 7.111 ( -3.000 3.596 1.592) 4.947 7.346 ( -4.748 4.517 0.061) 6.554 7.346 ( 4.748 4.517 -0.061) 6.554 7.417 ( 0.423 2.246 -2.006) 3.041 7.417 ( -0.423 2.246 2.006) 3.041 7.561 ( -5.982 0.998 -2.099) 6.418 7.561 ( 5.982 0.998 2.099) 6.418 7.734 ( 3.328 1.607 -3.978) 5.430 7.734 ( -3.328 1.607 3.978) 5.430 7.789 ( 2.834 1.316 -3.920) 5.013 7.789 ( -2.834 1.316 3.920) 5.013 7.942 ( 1.170 3.482 -3.058) 4.780 7.942 ( -1.170 3.482 3.058) 4.780 8.066 ( 1.749 0.863 -1.410) 2.406 8.066 ( -1.749 0.863 1.410) 2.406 8.201 ( 1.116 5.610 -5.126) 7.680 8.201 ( -1.116 5.610 5.126) 7.680 8.464 ( 3.902 6.346 -6.087) 9.620 8.464 ( -3.902 6.346 6.087) 9.620 8.662 ( 0.951 5.059 -4.501) 6.838 8.662 ( -0.951 5.059 4.501) 6.838 8.840 ( -0.834 -1.945 -3.415) 4.018 8.840 ( 0.834 -1.945 3.415) 4.018 9.041 ( -4.086 -1.601 -0.925) 4.485 9.041 ( 4.086 -1.601 0.925) 4.485 9.258 ( 3.106 0.731 -5.602) 6.447 9.258 ( -3.106 0.731 5.602) 6.447 9.617 ( -7.401 10.490 -3.643) 13.345 9.617 ( 7.401 10.490 3.643) 13.345 9.847 ( -3.020 2.455 -2.658) 4.713 9.847 ( 3.020 2.455 2.658) 4.713 10.003 ( 1.044 1.528 -3.449) 3.914 10.003 ( -1.044 1.528 3.449) 3.914 10.144 ( -0.638 0.122 -2.101) 2.199 10.144 ( 0.638 0.122 2.101) 2.199 10.703 ( -1.220 4.523 -6.828) 8.281 10.703 ( 1.220 4.523 6.828) 8.281 10.888 ( 2.251 1.900 -4.723) 5.566 10.888 ( -2.251 1.900 4.723) 5.566 11.693 ( -4.777 -0.068 -4.906) 6.848 11.693 ( 4.777 -0.068 4.906) 6.848 11.823 ( 1.881 -3.339 -1.589) 4.148 11.823 ( -1.881 -3.339 1.589) 4.148 11.987 ( -4.746 1.177 -2.063) 5.307 11.987 ( 4.746 1.177 2.063) 5.307 12.574 ( -8.668 1.239 -5.829) 10.519 12.574 ( 8.668 1.239 5.829) 10.519 12.957 ( 0.886 -7.268 -10.654) 12.927 12.957 ( -0.886 -7.268 10.654) 12.927 13.460 ( 0.552 5.034 -3.474) 6.141 13.460 ( -0.552 5.034 3.474) 6.141 13.610 ( -0.967 -2.364 -3.467) 4.307 13.610 ( 0.967 -2.364 3.467) 4.307 14.359 ( -6.455 3.329 -1.647) 7.447 14.359 ( 6.455 3.329 1.647) 7.447 14.628 ( -5.959 0.721 -3.037) 6.727 14.628 ( 5.959 0.721 3.037) 6.727 15.125 ( -2.611 -0.729 -6.080) 6.657 15.125 ( 2.611 -0.729 6.080) 6.657 15.464 ( -4.568 3.764 -3.446) 6.849 15.464 ( 4.568 3.764 3.446) 6.849 15.696 ( -1.184 4.191 -0.766) 4.422 15.696 ( 1.184 4.191 0.766) 4.422 15.920 ( 2.906 3.265 -2.800) 5.190 15.920 ( -2.906 3.265 2.800) 5.190 16.297 ( -1.988 2.420 -0.307) 3.146 16.297 ( 1.988 2.420 0.307) 3.146 16.859 ( -13.580 -8.753 -6.816) 17.535 16.859 ( 13.580 -8.753 6.816) 17.535 16.945 ( -3.408 -11.682 -4.471) 12.964 16.945 ( 3.408 -11.682 4.471) 12.964 17.151 ( -3.200 0.750 -2.153) 3.929 17.151 ( 3.200 0.750 2.153) 3.929 18.250 ( 6.957 25.469 -6.771) 27.256 18.250 ( -6.957 25.469 6.771) 27.256 18.701 ( -4.014 -6.767 0.925) 7.923 18.701 ( 4.014 -6.767 -0.925) 7.923 19.177 ( 2.245 -0.769 -3.593) 4.306 19.177 ( -2.245 -0.769 3.593) 4.306 20.641 ( 1.237 -4.975 -0.826) 5.192 20.641 ( -1.237 -4.975 0.826) 5.192 ======================= Grid point 98 (45/55) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 11.422 10.783 -3.238) 16.038 1.017 ( 14.669 11.367 -3.195) 18.830 1.089 ( 23.516 6.665 -1.458) 24.485 1.269 ( 4.298 1.802 4.044) 6.171 1.418 ( 10.875 9.757 5.779) 15.712 1.564 ( 7.975 2.333 3.017) 8.840 1.596 ( 1.512 5.101 -5.264) 7.484 1.648 ( 4.451 -1.286 -0.781) 4.699 1.695 ( -2.783 8.965 -1.959) 9.589 1.754 ( -7.898 8.250 -1.338) 11.500 1.818 ( 2.542 9.557 -7.112) 12.182 1.905 ( 3.182 4.918 -0.974) 5.938 2.002 ( 0.741 4.659 2.974) 5.577 2.023 ( 2.489 8.267 -4.086) 9.552 2.197 ( 7.879 6.539 -2.959) 10.658 2.209 ( -2.082 -0.305 0.697) 2.216 2.259 ( 4.446 2.176 -0.831) 5.019 2.337 ( 4.114 1.498 0.995) 4.490 2.361 ( 0.625 -2.881 -3.797) 4.807 2.435 ( 4.270 5.906 5.591) 9.186 2.465 ( 3.101 0.841 6.271) 7.046 2.533 ( -1.399 -1.357 1.890) 2.715 2.577 ( 5.903 1.284 0.839) 6.099 2.598 ( -0.713 -0.302 6.976) 7.019 2.633 ( 2.512 -1.957 -5.310) 6.191 2.744 ( -0.723 -4.124 5.457) 6.878 2.785 ( 1.008 1.447 -5.054) 5.353 2.810 ( 1.366 -4.298 -1.074) 4.636 2.850 ( 3.414 -4.266 -3.231) 6.348 2.921 ( -2.750 -4.533 8.495) 10.014 3.026 ( -1.470 -2.669 -4.621) 5.536 3.107 ( -2.670 -3.855 -3.174) 5.663 3.177 ( 1.528 -2.210 2.214) 3.482 3.281 ( -1.718 -1.907 4.072) 4.814 3.293 ( -5.180 -3.172 2.739) 6.663 3.388 ( -0.632 -4.943 0.288) 4.991 3.432 ( -2.994 -1.141 5.384) 6.265 3.484 ( -3.095 -1.934 2.874) 4.645 3.562 ( -0.072 -2.163 2.755) 3.503 3.675 ( -1.221 -4.652 -0.907) 4.894 3.742 ( 3.640 -0.497 -0.217) 3.681 3.867 ( 3.499 -5.971 0.231) 6.924 3.882 ( -1.219 -5.036 -10.117) 11.367 3.946 ( -1.334 -4.092 0.516) 4.335 4.032 ( -3.292 -1.087 1.375) 3.729 4.084 ( 0.944 -3.002 -1.589) 3.526 4.149 ( 0.602 -4.888 -3.000) 5.766 4.206 ( 2.642 -1.136 4.135) 5.037 4.306 ( -4.164 1.021 -1.246) 4.465 4.376 ( -5.030 1.366 3.304) 6.171 4.495 ( -2.003 1.365 -3.614) 4.351 4.638 ( -3.331 -3.012 1.627) 4.777 4.799 ( -3.191 -3.026 4.265) 6.126 4.828 ( 0.947 -1.612 -1.898) 2.664 4.887 ( -6.865 -1.623 -4.597) 8.420 4.981 ( -1.099 0.884 2.311) 2.707 5.097 ( 2.059 -1.379 -5.495) 6.028 5.131 ( -4.129 6.057 0.811) 7.375 5.161 ( -5.086 1.583 1.579) 5.556 5.209 ( 1.180 2.486 -0.362) 2.775 5.283 ( -3.133 0.722 -1.287) 3.463 5.313 ( 3.264 1.132 -2.952) 4.544 5.368 ( -3.453 1.082 -0.212) 3.624 5.469 ( 4.249 2.359 4.131) 6.378 5.494 ( -2.263 2.247 -0.026) 3.189 5.551 ( -0.644 -1.921 -1.475) 2.507 5.616 ( -2.407 1.221 3.248) 4.223 5.690 ( -2.197 2.379 2.416) 4.040 5.772 ( 5.229 0.595 0.589) 5.296 5.833 ( 1.091 2.775 2.627) 3.974 5.887 ( 2.604 -1.680 -2.268) 3.840 5.955 ( -0.217 4.667 -2.109) 5.126 5.970 ( 4.700 -2.488 4.222) 6.790 6.018 ( 3.922 -1.349 -0.918) 4.247 6.127 ( 6.494 -0.148 0.437) 6.511 6.189 ( 9.487 2.826 2.611) 10.238 6.274 ( 3.629 -3.872 -0.862) 5.376 6.424 ( 2.619 -4.181 1.105) 5.056 6.502 ( -3.733 -3.312 1.688) 5.268 6.513 ( 6.271 3.681 -4.272) 8.433 6.590 ( 4.026 -1.456 -0.016) 4.281 6.701 ( 7.205 -3.298 2.861) 8.425 6.770 ( -1.979 2.106 -0.671) 2.967 6.888 ( -0.187 0.656 1.313) 1.480 6.931 ( -4.940 5.518 -1.364) 7.530 6.998 ( -7.208 4.939 5.154) 10.145 7.037 ( -7.785 5.071 -2.403) 9.597 7.072 ( -0.357 2.091 -3.484) 4.079 7.219 ( -3.562 3.428 -0.170) 4.947 7.312 ( -7.130 0.566 -1.845) 7.387 7.364 ( -2.334 1.433 2.126) 3.467 7.410 ( 1.531 0.616 -3.159) 3.564 7.511 ( -0.028 1.196 -3.569) 3.764 7.611 ( -0.661 4.647 -3.342) 5.762 7.719 ( -1.249 -3.095 1.369) 3.607 7.774 ( -1.230 2.421 3.890) 4.745 7.863 ( 4.417 6.309 -1.209) 7.795 7.896 ( -0.005 3.124 1.841) 3.626 7.947 ( 2.045 -1.110 0.114) 2.330 7.977 ( 9.194 2.874 -0.238) 9.635 8.039 ( 1.222 3.561 0.107) 3.766 8.134 ( 3.559 3.046 5.808) 7.462 8.227 ( -0.256 6.263 3.076) 6.982 8.243 ( 2.482 6.427 1.748) 7.108 8.327 ( -3.904 1.811 3.544) 5.575 8.489 ( 0.731 9.784 -6.141) 11.575 8.596 ( -2.635 5.785 -2.975) 7.019 8.721 ( 0.844 -0.826 -2.950) 3.178 8.786 ( -2.002 -0.674 -1.075) 2.370 8.837 ( -2.629 -0.083 -0.320) 2.649 8.992 ( -1.656 -2.272 1.215) 3.063 9.178 ( 6.407 1.815 6.376) 9.219 9.278 ( 0.192 3.430 5.538) 6.517 9.287 ( 1.214 3.783 -1.645) 4.300 9.457 ( -4.298 6.774 -3.362) 8.698 9.744 ( -0.493 4.744 -1.667) 5.052 9.769 ( 0.676 3.720 -1.967) 4.262 9.868 ( -2.891 3.943 -1.224) 5.040 9.980 ( -1.043 -0.325 -1.172) 1.602 10.040 ( 3.303 4.841 6.365) 8.652 10.095 ( -2.413 -2.429 0.641) 3.483 10.181 ( 2.807 4.977 -1.063) 5.812 10.622 ( -2.821 5.895 -7.314) 9.808 10.711 ( -7.673 7.173 6.169) 12.181 10.887 ( 3.661 2.638 1.587) 4.784 10.991 ( 9.046 -0.228 -3.926) 9.864 11.509 ( -8.688 -4.725 -3.271) 10.417 11.752 ( -7.423 -3.206 2.232) 8.388 11.778 ( 1.313 0.220 1.231) 1.813 11.810 ( -3.403 -1.753 -0.086) 3.828 11.886 ( -0.341 7.439 -0.487) 7.462 12.167 ( 7.273 -2.493 1.894) 7.918 12.532 ( 10.038 -2.490 -0.324) 10.348 12.841 ( 9.797 -2.748 -3.635) 10.805 12.925 ( 4.586 -8.049 -5.784) 10.921 13.013 ( -0.558 -5.429 11.740) 12.947 13.446 ( 0.416 5.304 -3.028) 6.122 13.469 ( -1.042 3.818 3.418) 5.229 13.563 ( 0.037 -3.540 -5.124) 6.228 13.629 ( -1.683 -1.118 2.688) 3.362 14.275 ( -2.209 2.799 2.295) 4.240 14.481 ( -3.622 -3.990 -4.086) 6.763 14.554 ( 8.309 8.527 5.822) 13.253 14.758 ( 5.739 1.354 1.569) 6.102 15.000 ( -4.322 0.735 -5.845) 7.306 15.138 ( -5.949 0.233 2.487) 6.452 15.285 ( -10.119 5.760 0.713) 11.666 15.483 ( -4.765 3.157 0.713) 5.760 15.680 ( 1.070 -3.423 -5.510) 6.574 15.781 ( 7.221 6.099 -1.137) 9.520 15.927 ( -1.132 0.291 7.099) 7.194 16.055 ( 8.957 6.672 2.674) 11.485 16.217 ( -3.783 2.241 -3.081) 5.369 16.296 ( -1.464 5.266 -3.028) 6.248 16.430 ( -16.956 1.378 -15.286) 22.870 16.726 ( -12.769 -7.041 2.503) 14.795 17.043 ( 5.819 -3.658 -3.168) 7.568 17.083 ( -1.779 -3.359 2.208) 4.396 17.131 ( 6.590 -14.937 1.937) 16.441 17.248 ( 3.407 -1.660 1.372) 4.030 18.152 ( -4.277 23.628 1.857) 24.084 18.249 ( -2.446 25.726 -3.946) 26.142 18.711 ( 4.701 -5.749 0.380) 7.436 18.808 ( 3.548 -9.817 3.843) 11.124 19.136 ( -4.232 -0.504 3.941) 5.805 19.167 ( -0.501 -1.766 -3.788) 4.209 20.645 ( 0.805 -4.584 1.090) 4.780 20.672 ( 1.492 -6.133 0.175) 6.314 ======================= Grid point 99 (46/55) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 10.478 18.657 -4.033) 21.775 1.282 ( -6.247 8.161 -0.921) 10.319 1.335 ( 7.338 10.504 -5.908) 14.109 1.371 ( 1.391 7.612 4.400) 8.901 1.528 ( 6.217 11.308 -1.517) 12.993 1.617 ( 1.320 5.866 5.432) 8.104 1.668 ( 1.024 4.557 3.650) 5.928 1.715 ( 4.381 6.503 -1.954) 8.081 1.737 ( 3.493 -0.789 -1.515) 3.888 1.773 ( 0.573 2.890 2.452) 3.833 1.859 ( 6.636 4.839 1.551) 8.359 1.980 ( 3.476 7.573 -5.820) 10.164 2.023 ( 4.041 -0.250 -0.607) 4.094 2.076 ( 1.308 3.334 1.222) 3.784 2.176 ( 1.560 -1.215 -2.550) 3.227 2.278 ( -4.776 -0.344 1.322) 4.967 2.312 ( 3.790 -0.100 -1.240) 3.989 2.342 ( 1.438 0.734 2.325) 2.831 2.426 ( 4.708 -2.653 -0.963) 5.489 2.518 ( 1.255 -2.066 -3.589) 4.327 2.536 ( 0.869 -0.586 -2.744) 2.937 2.571 ( -4.369 -2.068 3.768) 6.129 2.592 ( 9.303 -2.887 -2.453) 10.045 2.683 ( 4.388 -0.192 -2.833) 5.227 2.687 ( -4.495 -2.429 0.464) 5.130 2.715 ( 2.903 1.661 4.546) 5.644 2.766 ( 0.657 -2.034 0.455) 2.186 2.781 ( -1.954 -3.846 -3.776) 5.733 2.913 ( 0.596 -3.919 -2.095) 4.483 2.988 ( -1.769 0.082 6.807) 7.034 3.012 ( 7.292 -1.698 -7.100) 10.318 3.057 ( -1.945 -0.627 9.358) 9.578 3.173 ( -4.646 -0.228 6.241) 7.783 3.253 ( -2.077 -2.218 3.594) 4.707 3.267 ( 1.079 -0.696 -1.487) 1.965 3.338 ( -6.329 -0.542 1.483) 6.522 3.358 ( -6.118 1.148 -1.004) 6.305 3.365 ( -4.001 1.424 0.083) 4.247 3.623 ( 2.290 -3.092 8.026) 8.901 3.723 ( 0.661 -8.864 -1.787) 9.066 3.761 ( 0.994 -0.507 -4.523) 4.659 3.838 ( -0.659 -5.394 -2.854) 6.138 3.894 ( 4.431 0.837 -0.944) 4.607 3.947 ( 2.266 0.743 2.042) 3.139 3.997 ( -5.345 -2.850 -0.249) 6.063 4.052 ( 0.619 -3.370 -2.100) 4.019 4.110 ( -2.688 -2.960 1.137) 4.157 4.191 ( -3.083 -5.518 -1.247) 6.442 4.261 ( -3.088 -0.735 1.146) 3.375 4.314 ( 1.645 -5.202 -1.589) 5.683 4.425 ( -1.973 -3.203 1.951) 4.237 4.504 ( -9.188 1.508 -7.066) 11.689 4.759 ( 2.505 -8.060 1.943) 8.661 4.823 ( -1.328 -4.959 2.374) 5.656 4.910 ( 3.222 3.943 -1.699) 5.368 4.966 ( -2.574 5.349 2.130) 6.307 5.065 ( 1.802 0.315 5.207) 5.519 5.136 ( 3.961 1.749 -4.737) 6.418 5.159 ( -0.123 2.703 -0.483) 2.749 5.217 ( -2.737 1.050 0.432) 2.963 5.288 ( 0.167 0.107 3.278) 3.284 5.299 ( 0.280 2.363 -0.619) 2.459 5.341 ( 0.461 3.349 -2.026) 3.941 5.396 ( -4.318 4.337 -3.745) 7.175 5.503 ( 1.666 -3.062 1.211) 3.690 5.565 ( -0.995 3.341 -1.847) 3.945 5.606 ( 0.547 2.780 -0.820) 2.950 5.631 ( -3.387 1.808 0.768) 3.916 5.814 ( 0.216 0.978 1.538) 1.835 5.832 ( -1.660 2.449 2.088) 3.622 5.946 ( 4.189 2.722 -3.080) 5.869 5.965 ( 0.020 4.291 3.653) 5.635 6.085 ( 2.961 -5.353 -0.849) 6.176 6.094 ( 1.097 -4.989 3.455) 6.167 6.275 ( 8.935 -2.197 -0.530) 9.217 6.355 ( 2.642 -5.611 4.916) 7.914 6.390 ( 2.526 -1.468 -2.154) 3.630 6.447 ( 0.291 1.642 -2.995) 3.428 6.496 ( 4.036 -0.421 -2.101) 4.570 6.504 ( 5.242 -3.124 1.454) 6.273 6.656 ( -3.638 -3.618 0.518) 5.157 6.718 ( -7.972 3.666 -0.116) 8.775 6.755 ( 1.115 5.519 -3.828) 6.809 6.818 ( -0.390 2.252 4.434) 4.989 6.853 ( -3.099 7.857 -0.947) 8.499 6.892 ( -5.567 3.671 -1.893) 6.932 7.016 ( 4.021 -4.696 2.842) 6.804 7.065 ( -0.549 -3.495 -0.565) 3.582 7.157 ( -2.753 2.329 3.205) 4.824 7.186 ( -2.422 3.130 -4.401) 5.919 7.366 ( 0.764 3.604 1.040) 3.828 7.397 ( -0.261 1.948 -3.486) 4.002 7.496 ( 2.178 1.308 -5.167) 5.758 7.538 ( -5.478 0.485 3.572) 6.558 7.741 ( 3.089 1.153 -0.884) 3.414 7.787 ( 0.295 4.326 2.570) 5.041 7.815 ( -3.286 0.081 0.356) 3.306 7.866 ( -3.292 4.090 -0.956) 5.336 8.004 ( 3.963 4.303 2.778) 6.476 8.077 ( 0.006 0.960 -2.077) 2.288 8.131 ( 3.918 0.639 -1.149) 4.133 8.181 ( -1.860 4.430 1.600) 5.063 8.306 ( 3.464 8.042 3.672) 9.495 8.320 ( 4.769 9.028 6.587) 12.150 8.374 ( 1.776 3.435 1.334) 4.091 8.431 ( -2.371 5.239 -4.904) 7.558 8.575 ( 2.533 0.871 1.450) 3.046 8.665 ( -3.482 -0.993 -3.862) 5.294 8.740 ( -1.607 2.019 -1.041) 2.783 8.758 ( -3.357 2.856 -1.804) 4.762 9.005 ( 2.320 -0.050 2.512) 3.420 9.130 ( -7.713 2.793 -3.836) 9.056 9.358 ( 2.192 6.647 4.713) 8.438 9.366 ( 2.987 11.651 6.040) 13.459 9.454 ( 3.448 -1.514 0.023) 3.766 9.587 ( -5.644 3.496 -10.264) 12.225 9.799 ( 1.200 5.427 -3.270) 6.449 9.812 ( -2.989 6.278 4.346) 8.199 9.989 ( 2.625 -1.882 -0.201) 3.236 10.050 ( -2.850 -2.211 -0.354) 3.624 10.185 ( 5.188 3.876 6.873) 9.443 10.248 ( 3.751 5.033 -3.189) 7.041 10.512 ( -1.689 6.561 -4.853) 8.334 10.569 ( -7.469 8.401 0.566) 11.255 11.012 ( 4.483 2.486 6.173) 8.024 11.084 ( 2.475 1.783 -5.723) 6.485 11.409 ( 1.174 -2.911 -1.011) 3.297 11.538 ( -11.241 -1.103 -0.214) 11.297 11.798 ( 0.910 -0.707 2.361) 2.627 11.817 ( 0.588 0.034 0.253) 0.641 11.971 ( 6.968 1.080 2.547) 7.497 12.144 ( -5.953 -2.611 -5.300) 8.388 12.794 ( 8.698 -4.147 3.829) 10.369 12.886 ( 0.067 -5.420 -1.755) 5.697 13.007 ( 4.819 -10.841 3.014) 12.241 13.098 ( 0.073 -8.605 0.896) 8.652 13.452 ( 2.214 3.988 -0.935) 4.657 13.474 ( -0.652 4.209 2.188) 4.788 13.546 ( 2.342 -2.173 -6.047) 6.839 13.586 ( -4.470 -0.632 3.271) 5.574 14.298 ( 1.374 1.784 5.086) 5.562 14.377 ( -3.014 0.115 -4.811) 5.678 14.811 ( 11.449 3.413 7.540) 14.127 14.861 ( 2.759 -0.493 2.831) 3.984 14.951 ( 5.142 3.830 -5.768) 8.625 14.987 ( -7.205 3.017 -0.585) 7.833 15.104 ( -9.563 8.501 3.593) 13.290 15.231 ( -15.328 2.339 -9.531) 18.200 15.735 ( 9.556 -3.040 -7.675) 12.628 15.855 ( -5.005 -0.979 5.462) 7.472 15.970 ( 4.332 3.827 4.082) 7.076 16.108 ( -6.971 4.101 -2.057) 8.345 16.171 ( 2.096 7.931 -5.737) 10.010 16.220 ( -3.021 4.692 -1.013) 5.672 16.297 ( 8.287 4.225 3.335) 9.882 16.502 ( -10.677 1.780 -1.318) 10.904 17.078 ( 0.598 -7.714 1.774) 7.938 17.095 ( 0.728 -7.391 -2.025) 7.698 17.240 ( 3.838 -7.730 0.923) 8.680 17.284 ( -0.393 -4.095 0.300) 4.124 18.129 ( 0.882 22.766 -0.147) 22.783 18.171 ( -3.318 23.898 -0.215) 24.128 18.815 ( 5.795 -7.023 -3.001) 9.587 18.862 ( -1.402 -9.949 4.576) 11.040 19.095 ( -2.398 -0.999 4.692) 5.363 19.119 ( -0.911 -2.304 -4.696) 5.309 20.671 ( 1.037 -5.066 0.650) 5.212 20.686 ( -0.077 -5.855 -0.133) 5.857 ======================= Grid point 102 (47/55) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 2.852 10.748 -6.764) 13.016 0.941 ( -2.852 10.748 6.764) 13.016 1.337 ( -3.144 3.239 -6.436) 7.861 1.337 ( 3.144 3.239 6.436) 7.861 1.433 ( -5.005 12.480 -6.240) 14.824 1.433 ( 5.005 12.480 6.240) 14.824 1.581 ( 1.943 0.727 -2.286) 3.087 1.581 ( -1.943 0.727 2.286) 3.087 1.859 ( -0.639 3.482 -3.964) 5.314 1.859 ( 0.639 3.482 3.964) 5.314 2.051 ( -1.376 3.338 -0.928) 3.728 2.051 ( 1.376 3.338 0.928) 3.728 2.164 ( -4.412 6.954 -1.734) 8.416 2.164 ( 4.412 6.954 1.734) 8.416 2.250 ( -2.800 -0.278 -1.817) 3.349 2.250 ( 2.800 -0.278 1.817) 3.349 2.301 ( 1.920 0.329 -4.667) 5.057 2.301 ( -1.920 0.329 4.667) 5.057 2.422 ( -2.510 2.770 -3.272) 4.968 2.422 ( 2.510 2.770 3.272) 4.968 2.486 ( -2.179 0.877 -1.644) 2.868 2.486 ( 2.179 0.877 1.644) 2.868 2.577 ( 2.020 2.557 -2.378) 4.034 2.577 ( -2.020 2.557 2.378) 4.034 2.690 ( -1.125 0.855 -5.538) 5.716 2.690 ( 1.125 0.855 5.538) 5.716 2.747 ( -0.754 0.826 -6.202) 6.302 2.747 ( 0.754 0.826 6.202) 6.302 2.824 ( -0.309 2.562 -4.636) 5.306 2.824 ( 0.309 2.562 4.636) 5.306 3.041 ( -3.338 -6.445 -1.782) 7.473 3.041 ( 3.338 -6.445 1.782) 7.473 3.158 ( -0.513 2.704 -10.279) 10.641 3.158 ( 0.513 2.704 10.279) 10.641 3.279 ( -2.454 -5.622 -1.454) 6.305 3.279 ( 2.454 -5.622 1.454) 6.305 3.346 ( -0.457 -3.882 -5.607) 6.835 3.346 ( 0.457 -3.882 5.607) 6.835 3.588 ( 1.336 -2.295 -3.021) 4.022 3.588 ( -1.336 -2.295 3.021) 4.022 3.710 ( 0.757 -4.041 -2.071) 4.603 3.710 ( -0.757 -4.041 2.071) 4.603 3.845 ( 1.508 -5.046 -1.807) 5.567 3.845 ( -1.508 -5.046 1.807) 5.567 4.027 ( 4.448 1.073 -4.799) 6.631 4.027 ( -4.448 1.073 4.799) 6.631 4.113 ( 0.576 -4.231 -2.940) 5.184 4.113 ( -0.576 -4.231 2.940) 5.184 4.393 ( 1.093 -0.289 -3.951) 4.109 4.393 ( -1.093 -0.289 3.951) 4.109 4.588 ( -0.605 -2.964 -2.830) 4.143 4.588 ( 0.605 -2.964 2.830) 4.143 4.742 ( -4.543 -1.908 -0.824) 4.996 4.742 ( 4.543 -1.908 0.824) 4.996 4.925 ( -1.789 -7.579 -3.673) 8.611 4.925 ( 1.789 -7.579 3.673) 8.611 5.156 ( -8.860 0.923 -6.290) 10.905 5.156 ( 8.860 0.923 6.290) 10.905 5.291 ( -1.834 0.383 -2.152) 2.854 5.291 ( 1.834 0.383 2.152) 2.854 5.362 ( 0.644 3.222 -3.913) 5.109 5.362 ( -0.644 3.222 3.913) 5.109 5.409 ( 0.542 2.674 -4.148) 4.965 5.409 ( -0.542 2.674 4.148) 4.965 5.548 ( -5.349 2.438 -5.164) 7.825 5.548 ( 5.349 2.438 5.164) 7.825 5.703 ( -6.058 0.703 -5.077) 7.935 5.703 ( 6.058 0.703 5.077) 7.935 5.813 ( -6.332 3.521 -0.974) 7.310 5.813 ( 6.332 3.521 0.974) 7.310 5.867 ( -3.779 3.133 -5.049) 7.042 5.867 ( 3.779 3.133 5.049) 7.042 6.003 ( -6.511 4.024 -1.615) 7.823 6.003 ( 6.511 4.024 1.615) 7.823 6.146 ( -2.019 1.063 -5.371) 5.835 6.146 ( 2.019 1.063 5.371) 5.835 6.264 ( -5.888 0.213 -2.019) 6.229 6.264 ( 5.888 0.213 2.019) 6.229 6.448 ( -3.743 -1.108 -2.515) 4.643 6.448 ( 3.743 -1.108 2.515) 4.643 6.618 ( -1.408 1.720 -2.864) 3.625 6.618 ( 1.408 1.720 2.864) 3.625 6.881 ( -1.043 2.444 -0.028) 2.658 6.881 ( 1.043 2.444 0.028) 2.658 7.089 ( 1.670 0.951 -5.582) 5.904 7.089 ( -1.670 0.951 5.582) 5.904 7.235 ( -1.991 8.782 -3.365) 9.613 7.235 ( 1.991 8.782 3.365) 9.613 7.364 ( -2.228 -1.319 -1.357) 2.923 7.364 ( 2.228 -1.319 1.357) 2.923 7.456 ( -5.792 0.322 -0.316) 5.810 7.456 ( 5.792 0.322 0.316) 5.810 7.607 ( -14.051 -0.524 -3.093) 14.397 7.607 ( 14.051 -0.524 3.093) 14.397 7.706 ( 2.792 2.788 -3.008) 4.962 7.706 ( -2.792 2.788 3.008) 4.962 7.879 ( 2.831 4.216 -7.123) 8.748 7.879 ( -2.831 4.216 7.123) 8.748 8.015 ( -0.510 4.880 -3.774) 6.190 8.015 ( 0.510 4.880 3.774) 6.190 8.120 ( 1.373 5.166 -1.022) 5.442 8.120 ( -1.373 5.166 1.022) 5.442 8.276 ( -0.483 0.067 -4.166) 4.194 8.276 ( 0.483 0.067 4.166) 4.194 8.547 ( -1.482 3.063 -3.563) 4.927 8.547 ( 1.482 3.063 3.563) 4.927 8.796 ( -2.649 5.224 -6.013) 8.394 8.796 ( 2.649 5.224 6.013) 8.394 8.822 ( -1.493 3.066 -5.391) 6.379 8.822 ( 1.493 3.066 5.391) 6.379 9.032 ( -3.558 1.237 -3.378) 5.060 9.032 ( 3.558 1.237 3.378) 5.060 9.344 ( 0.760 7.129 -8.701) 11.274 9.344 ( -0.760 7.129 8.701) 11.274 9.757 ( -1.986 1.872 -2.081) 3.432 9.757 ( 1.986 1.872 2.081) 3.432 9.871 ( -4.352 3.443 -2.459) 6.070 9.871 ( 4.352 3.443 2.459) 6.070 10.075 ( 0.358 0.574 -2.422) 2.515 10.075 ( -0.358 0.574 2.422) 2.515 10.226 ( 1.687 12.275 -6.284) 13.893 10.226 ( -1.687 12.275 6.284) 13.893 10.812 ( -0.580 6.441 -2.921) 7.096 10.812 ( 0.580 6.441 2.921) 7.096 10.946 ( 0.267 3.816 -1.925) 4.283 10.946 ( -0.267 3.816 1.925) 4.283 11.670 ( -3.866 -2.973 -4.046) 6.337 11.670 ( 3.866 -2.973 4.046) 6.337 11.781 ( 0.560 -0.401 -0.249) 0.732 11.781 ( -0.560 -0.401 0.249) 0.732 12.008 ( -2.645 1.197 -2.563) 3.872 12.008 ( 2.645 1.197 2.563) 3.872 12.573 ( -5.929 -1.938 -5.666) 8.426 12.573 ( 5.929 -1.938 5.666) 8.426 12.809 ( -0.487 -7.658 -10.309) 12.851 12.809 ( 0.487 -7.658 10.309) 12.851 13.544 ( 1.500 2.033 -3.082) 3.986 13.544 ( -1.500 2.033 3.082) 3.986 13.601 ( -0.973 3.657 -3.244) 4.984 13.601 ( 0.973 3.657 3.244) 4.984 14.383 ( -3.929 -0.072 -1.503) 4.207 14.383 ( 3.929 -0.072 1.503) 4.207 14.663 ( -1.905 1.081 -5.079) 5.531 14.663 ( 1.905 1.081 5.079) 5.531 15.118 ( -1.919 0.411 -4.442) 4.856 15.118 ( 1.919 0.411 4.442) 4.856 15.519 ( 0.151 1.735 -5.882) 6.134 15.519 ( -0.151 1.735 5.882) 6.134 15.794 ( -4.110 4.019 -4.860) 7.527 15.794 ( 4.110 4.019 4.860) 7.527 15.967 ( -2.389 1.430 -3.602) 4.553 15.967 ( 2.389 1.430 3.602) 4.553 16.342 ( -3.338 2.578 -0.738) 4.281 16.342 ( 3.338 2.578 0.738) 4.281 16.607 ( -2.996 -4.131 -6.090) 7.946 16.607 ( 2.996 -4.131 6.090) 7.946 16.986 ( -0.010 4.391 -6.758) 8.059 16.986 ( 0.010 4.391 6.758) 8.059 17.279 ( -0.802 11.436 -2.193) 11.671 17.279 ( 0.802 11.436 2.193) 11.671 18.479 ( -3.179 -7.940 -0.816) 8.591 18.479 ( 3.179 -7.940 0.816) 8.591 18.591 ( 0.325 0.962 -3.740) 3.875 18.591 ( -0.325 0.962 3.740) 3.875 19.223 ( 1.984 7.642 -4.485) 9.080 19.223 ( -1.984 7.642 4.485) 9.080 20.510 ( 0.391 -8.616 -0.647) 8.649 20.510 ( -0.391 -8.616 0.647) 8.649 ======================= Grid point 104 (48/55) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 14.804 4.784 3.899) 16.039 1.220 ( 18.368 6.000 -0.725) 19.337 1.318 ( 3.267 7.936 3.150) 9.142 1.374 ( 6.162 12.903 -13.050) 19.358 1.498 ( 4.521 -2.182 13.120) 14.047 1.603 ( 5.141 1.328 1.082) 5.419 1.637 ( 4.398 1.498 -1.608) 4.917 1.710 ( 16.243 8.445 0.964) 18.332 1.809 ( -0.213 3.768 -0.842) 3.867 1.927 ( -4.792 7.347 1.090) 8.839 2.017 ( -1.876 3.432 -1.131) 4.071 2.043 ( 4.365 6.458 -4.767) 9.137 2.100 ( -0.880 7.408 2.247) 7.791 2.188 ( -2.620 0.165 0.050) 2.626 2.207 ( 0.074 5.043 -1.738) 5.334 2.286 ( -0.046 -1.194 -0.324) 1.238 2.301 ( -0.830 2.202 2.574) 3.488 2.340 ( 2.797 3.807 -0.312) 4.734 2.367 ( 3.014 -0.584 -0.478) 3.107 2.425 ( -2.050 1.608 -2.757) 3.793 2.495 ( -1.136 -2.003 -0.427) 2.342 2.539 ( 5.827 -0.583 -4.836) 7.595 2.554 ( -0.390 -0.824 1.938) 2.142 2.627 ( 0.627 4.067 -7.624) 8.664 2.658 ( 4.777 4.311 -0.571) 6.460 2.698 ( -2.310 -2.939 1.077) 3.890 2.749 ( 1.836 -3.282 1.244) 3.961 2.816 ( 2.377 2.767 -4.997) 6.187 2.848 ( -2.174 1.527 3.412) 4.324 2.857 ( 5.192 1.194 5.452) 7.623 2.973 ( -1.042 -5.364 -0.735) 5.513 3.057 ( -2.259 0.307 -6.670) 7.049 3.110 ( 2.426 -3.376 1.642) 4.470 3.180 ( -1.831 -4.135 2.221) 5.038 3.245 ( -3.044 -3.417 2.577) 5.251 3.321 ( -1.131 -2.014 4.747) 5.279 3.358 ( 4.114 -4.434 -3.115) 6.804 3.422 ( 0.596 -3.505 7.475) 8.277 3.528 ( -1.825 1.574 6.877) 7.287 3.556 ( -5.732 -5.791 -0.260) 8.152 3.718 ( 2.182 -3.880 0.207) 4.456 3.751 ( 0.932 -3.435 -2.334) 4.256 3.833 ( 2.758 1.268 -0.866) 3.157 3.890 ( 3.431 -6.653 -2.535) 7.904 3.992 ( -1.310 -3.265 2.049) 4.071 4.050 ( -1.812 0.159 1.290) 2.229 4.090 ( -0.194 0.893 -1.539) 1.789 4.147 ( 2.612 -4.327 -2.195) 5.511 4.341 ( -5.685 -0.811 -1.148) 5.856 4.380 ( -8.755 2.685 2.711) 9.550 4.485 ( -0.312 -3.747 -0.962) 3.882 4.562 ( -2.413 -4.564 0.846) 5.232 4.703 ( -8.427 -7.991 0.658) 11.632 4.747 ( -3.115 -2.118 4.870) 6.157 4.919 ( 7.064 2.730 0.613) 7.598 4.934 ( -4.764 -2.573 -1.745) 5.688 5.069 ( 1.524 -4.326 -3.016) 5.490 5.179 ( -4.078 3.568 -4.297) 6.916 5.200 ( -1.254 -1.496 0.702) 2.074 5.276 ( -2.495 0.496 -3.515) 4.339 5.313 ( 0.644 2.921 2.156) 3.687 5.379 ( 0.406 1.140 -3.034) 3.266 5.438 ( 1.846 5.662 1.107) 6.057 5.489 ( -2.376 4.631 -3.821) 6.457 5.529 ( 5.987 2.878 1.716) 6.861 5.576 ( -2.223 1.729 -3.062) 4.160 5.633 ( -1.422 -1.375 3.763) 4.251 5.727 ( -4.412 1.753 7.586) 8.950 5.790 ( 3.520 1.513 0.668) 3.889 5.864 ( -0.044 1.638 -2.758) 3.208 5.868 ( 2.212 1.978 1.231) 3.213 5.937 ( 4.816 -0.494 -0.514) 4.868 6.038 ( 4.308 4.107 4.290) 7.337 6.057 ( -0.424 1.557 -2.251) 2.770 6.157 ( 2.498 2.363 -3.652) 5.016 6.172 ( 2.298 -1.981 -1.526) 3.396 6.244 ( 3.893 -2.460 4.070) 6.146 6.388 ( 6.480 2.702 -0.254) 7.025 6.419 ( 1.902 -3.341 -1.395) 4.090 6.531 ( -0.594 -1.740 1.164) 2.176 6.610 ( 4.937 4.010 -3.416) 7.220 6.651 ( -0.520 -1.221 4.899) 5.076 6.832 ( 0.219 4.376 -1.726) 4.709 6.897 ( -1.537 0.635 -0.073) 1.665 7.034 ( -6.111 -2.436 -1.902) 6.848 7.066 ( -3.773 2.320 4.591) 6.379 7.130 ( -5.154 9.448 -1.960) 10.939 7.166 ( -7.301 5.707 -2.825) 9.688 7.289 ( -3.415 4.617 -1.657) 5.977 7.362 ( -5.202 -0.521 -2.109) 5.637 7.386 ( -1.043 2.103 2.081) 3.137 7.432 ( 1.999 3.415 -0.592) 4.001 7.570 ( 0.974 5.043 2.956) 5.926 7.656 ( -1.167 -0.672 1.810) 2.256 7.727 ( 2.069 2.925 -4.120) 5.460 7.824 ( 5.295 -1.761 -1.679) 5.827 7.879 ( -0.297 0.813 0.870) 1.227 7.939 ( 3.359 1.598 -1.531) 4.023 7.982 ( -0.781 5.887 -0.111) 5.939 8.078 ( 6.948 6.158 -1.877) 9.473 8.131 ( -2.181 5.901 -1.632) 6.500 8.216 ( 6.807 4.755 8.611) 11.962 8.287 ( 3.141 1.183 -0.171) 3.360 8.332 ( 2.163 -1.562 5.277) 5.913 8.377 ( -6.163 5.548 0.435) 8.304 8.628 ( 1.682 2.528 -4.715) 5.607 8.682 ( -1.539 5.998 -10.683) 12.348 8.738 ( -2.870 1.414 -3.138) 4.481 8.832 ( -1.697 -0.098 1.698) 2.402 8.901 ( 0.330 9.994 6.518) 11.936 8.985 ( -0.446 4.296 1.829) 4.690 9.185 ( 6.010 -1.330 7.055) 9.363 9.314 ( 1.637 3.739 -3.767) 5.554 9.426 ( 1.937 7.552 6.753) 10.314 9.657 ( -4.691 10.310 1.472) 11.422 9.739 ( -3.437 1.127 -6.445) 7.391 9.864 ( 2.773 -0.528 1.835) 3.367 9.946 ( 2.476 5.125 -2.080) 6.060 10.007 ( -3.436 -0.134 -3.314) 4.775 10.053 ( -1.558 3.823 1.532) 4.403 10.251 ( 1.204 14.340 5.353) 15.354 10.300 ( 5.332 7.947 -2.220) 9.824 10.748 ( -2.453 5.884 -6.062) 8.797 10.864 ( -2.244 8.007 5.156) 9.784 10.948 ( 5.186 4.385 -6.788) 9.602 11.008 ( 4.389 2.130 5.953) 7.697 11.471 ( -9.954 -0.130 -1.219) 10.029 11.670 ( -6.197 -5.031 2.043) 8.239 11.753 ( -2.542 -2.676 -1.465) 3.971 11.799 ( 1.106 0.734 1.366) 1.905 11.981 ( 0.170 2.608 -1.322) 2.929 12.125 ( 4.478 -1.591 1.157) 4.891 12.504 ( 4.983 -0.516 -2.555) 5.623 12.744 ( 2.094 -7.071 -6.677) 9.948 12.756 ( 5.491 -9.145 0.846) 10.700 12.897 ( 1.746 -6.627 7.767) 10.358 13.507 ( -2.836 0.631 0.339) 2.925 13.548 ( 1.003 2.328 -2.368) 3.469 13.575 ( 0.605 7.127 -1.524) 7.313 13.630 ( -0.862 2.114 2.608) 3.466 14.317 ( -1.976 0.831 0.916) 2.331 14.415 ( -1.758 -0.908 -0.395) 2.018 14.677 ( 5.350 0.745 2.331) 5.883 14.769 ( 3.169 0.148 6.549) 7.276 15.031 ( -1.263 2.795 -6.408) 7.104 15.120 ( -4.081 -1.981 1.946) 4.936 15.388 ( -8.995 3.087 0.119) 9.511 15.502 ( -5.088 0.082 -4.830) 7.016 15.701 ( -0.816 3.770 -3.848) 5.448 15.890 ( -0.834 1.135 2.261) 2.663 15.945 ( 2.679 3.496 5.160) 6.784 16.107 ( 7.123 1.559 4.510) 8.573 16.255 ( -3.770 0.963 -2.695) 4.734 16.388 ( -4.561 3.899 -0.749) 6.047 16.439 ( 1.139 2.511 -3.799) 4.694 16.678 ( 0.295 4.666 -7.573) 8.900 16.975 ( 0.932 1.845 3.217) 3.823 17.076 ( 4.688 0.577 1.401) 4.927 17.180 ( -5.691 13.681 0.439) 14.824 17.315 ( 0.198 7.313 0.539) 7.336 18.429 ( -1.246 0.147 -0.051) 1.255 18.523 ( -1.368 -4.601 0.781) 4.863 18.565 ( 1.670 -4.624 -0.737) 4.971 18.623 ( 1.088 -5.337 0.238) 5.453 19.187 ( -3.987 8.021 3.573) 9.643 19.201 ( -1.100 7.884 -3.735) 8.792 20.520 ( 0.815 -8.433 0.515) 8.488 20.525 ( 1.142 -9.205 -0.274) 9.279 ======================= Grid point 105 (49/55) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 6.552 1.813 2.211) 7.149 1.384 ( 3.883 7.020 -3.019) 8.572 1.451 ( 6.639 7.147 6.349) 11.640 1.525 ( 8.602 5.921 -4.467) 11.359 1.664 ( 4.848 -1.485 -1.200) 5.210 1.681 ( 1.778 1.676 0.895) 2.602 1.724 ( 4.543 0.363 -0.222) 4.563 1.779 ( -6.715 6.765 3.239) 10.068 1.833 ( 2.904 3.002 2.408) 4.821 1.926 ( -1.112 4.737 -4.255) 6.464 2.052 ( -1.751 8.498 -0.334) 8.683 2.065 ( 6.048 8.171 0.822) 10.199 2.099 ( 4.322 9.138 -1.061) 10.163 2.171 ( 0.548 2.489 5.248) 5.834 2.194 ( 0.228 3.487 -4.381) 5.604 2.312 ( 1.464 2.978 -0.914) 3.442 2.316 ( -0.424 -2.343 1.387) 2.755 2.325 ( -3.827 3.704 -1.105) 5.440 2.383 ( -0.283 -3.344 2.545) 4.212 2.429 ( 0.788 -1.311 -2.686) 3.091 2.483 ( 1.346 -3.172 -0.944) 3.573 2.551 ( -3.946 -0.604 0.519) 4.026 2.578 ( 3.144 -2.711 1.445) 4.396 2.666 ( -0.123 -4.312 0.536) 4.347 2.683 ( 3.948 -1.822 -1.883) 4.738 2.718 ( 1.827 3.042 -6.727) 7.606 2.753 ( 2.733 7.169 0.226) 7.675 2.817 ( 1.877 5.340 -0.809) 5.718 2.850 ( 3.357 -4.204 0.080) 5.381 2.943 ( 2.605 -4.298 -5.103) 7.162 2.962 ( -4.604 -0.571 -2.277) 5.168 3.012 ( 1.088 -3.367 2.933) 4.596 3.129 ( -2.477 -4.389 1.957) 5.406 3.151 ( -4.723 -6.939 4.785) 9.662 3.248 ( 4.229 -2.089 -0.843) 4.791 3.328 ( -3.059 -0.900 3.516) 4.746 3.338 ( -0.399 -1.515 -3.600) 3.926 3.386 ( -6.051 -1.740 3.920) 7.417 3.539 ( 1.976 -7.284 5.536) 9.360 3.595 ( 0.914 0.315 0.374) 1.036 3.727 ( 1.603 -2.188 -1.173) 2.955 3.780 ( 1.878 -4.211 1.446) 4.832 3.910 ( 0.167 -1.840 -1.029) 2.115 3.923 ( 3.567 0.867 1.166) 3.851 4.002 ( 1.804 0.789 4.091) 4.540 4.006 ( -1.479 -0.813 1.225) 2.085 4.066 ( -3.024 -2.998 -5.532) 6.981 4.146 ( -1.735 5.021 -2.657) 5.939 4.210 ( -2.083 -3.489 -1.133) 4.218 4.258 ( -3.448 1.013 0.903) 3.705 4.387 ( -5.941 0.748 1.210) 6.109 4.486 ( -8.898 -4.354 -1.965) 10.099 4.603 ( 4.108 -6.053 1.819) 7.538 4.740 ( -6.122 -1.589 -0.900) 6.389 4.961 ( 7.685 -3.355 3.783) 9.200 5.012 ( 4.279 0.873 4.871) 6.542 5.087 ( 1.360 -0.167 -0.264) 1.395 5.096 ( 1.962 -0.459 -7.945) 8.196 5.174 ( -5.122 -2.847 -0.042) 5.860 5.242 ( -5.359 -1.687 1.038) 5.714 5.299 ( -1.820 -1.940 -2.687) 3.781 5.345 ( -0.478 1.797 -2.624) 3.216 5.444 ( 1.627 4.112 1.514) 4.675 5.483 ( -0.656 8.682 0.815) 8.744 5.530 ( 2.466 7.335 0.253) 7.742 5.618 ( 3.516 0.375 -3.690) 5.111 5.635 ( 0.988 1.880 -2.646) 3.393 5.694 ( -5.739 1.454 8.273) 10.173 5.820 ( 0.053 1.005 -0.219) 1.030 5.850 ( -1.522 -0.802 -3.127) 3.569 5.918 ( 5.337 -2.328 -1.376) 5.983 5.993 ( -2.416 -4.370 2.057) 5.401 6.057 ( 1.842 2.075 2.589) 3.795 6.090 ( 0.175 4.022 0.673) 4.082 6.197 ( 4.820 -2.396 -1.509) 5.590 6.269 ( 1.629 -5.994 1.788) 6.463 6.326 ( 3.362 -1.696 0.648) 3.821 6.443 ( 0.624 -1.310 -1.440) 2.045 6.467 ( 0.425 -1.098 -3.017) 3.238 6.549 ( 7.349 3.964 0.645) 8.375 6.582 ( -4.805 -2.308 1.337) 5.496 6.708 ( -1.900 -3.056 -0.921) 3.715 6.833 ( -2.172 0.557 5.159) 5.626 6.899 ( 0.586 2.746 -1.569) 3.216 6.909 ( 0.938 1.434 -3.110) 3.551 7.003 ( -3.785 3.411 0.159) 5.098 7.029 ( -1.943 5.887 1.333) 6.341 7.080 ( -3.376 8.862 0.036) 9.483 7.225 ( -1.748 4.783 0.804) 5.155 7.249 ( -2.997 3.171 -3.321) 5.484 7.440 ( 3.350 3.152 0.473) 4.624 7.468 ( 1.801 5.446 -2.186) 6.139 7.571 ( -0.367 7.030 1.518) 7.202 7.615 ( -4.702 4.889 2.188) 7.127 7.774 ( 3.314 1.142 0.076) 3.506 7.818 ( 0.071 1.486 -4.716) 4.945 7.904 ( 0.747 2.995 0.866) 3.206 7.971 ( -3.601 6.153 1.818) 7.358 8.008 ( 4.259 -0.548 -1.172) 4.451 8.040 ( -1.176 -3.105 -1.046) 3.481 8.190 ( 3.520 2.986 -0.691) 4.667 8.251 ( -3.879 1.890 0.317) 4.327 8.379 ( 3.737 3.346 6.666) 8.342 8.418 ( 4.691 2.423 3.409) 6.284 8.446 ( 4.036 3.446 0.197) 5.310 8.521 ( -4.507 3.862 -7.745) 9.758 8.672 ( 1.956 3.577 -5.220) 6.623 8.687 ( -1.671 3.817 3.384) 5.367 8.807 ( 1.151 3.317 0.065) 3.512 8.889 ( -4.479 11.044 1.424) 12.002 9.035 ( 4.543 4.645 1.316) 6.629 9.171 ( -7.551 2.538 -0.962) 8.024 9.420 ( 6.555 -0.295 0.045) 6.562 9.472 ( -1.151 3.366 4.055) 5.395 9.643 ( 0.110 14.980 5.218) 15.864 9.667 ( 0.688 5.757 -5.480) 7.978 9.905 ( -0.260 1.262 2.283) 2.621 9.931 ( -2.118 1.083 -2.064) 3.150 9.959 ( 2.732 3.985 -2.602) 5.487 10.024 ( -3.419 3.064 0.581) 4.627 10.320 ( 2.018 9.310 7.288) 11.994 10.380 ( 3.566 8.346 -6.489) 11.157 10.675 ( 1.801 9.321 -5.177) 10.813 10.769 ( -8.438 11.936 3.180) 14.959 11.059 ( 7.102 2.358 -1.784) 7.693 11.117 ( 1.039 1.438 2.720) 3.247 11.360 ( 0.776 -1.812 -0.803) 2.128 11.490 ( -10.633 -3.710 -0.196) 11.263 11.762 ( 2.018 -2.497 4.404) 5.450 11.817 ( -0.305 -0.247 -1.112) 1.179 11.998 ( 2.889 1.070 -0.299) 3.095 12.096 ( -4.671 -2.172 -3.603) 6.286 12.693 ( 9.145 -5.504 4.851) 11.724 12.753 ( 3.969 -7.435 -6.795) 10.826 12.822 ( 0.088 -8.995 4.790) 10.191 12.919 ( -3.500 -9.163 -1.631) 9.944 13.499 ( 1.499 1.538 1.903) 2.870 13.543 ( 0.142 1.567 -3.628) 3.955 13.583 ( 1.114 6.520 -0.973) 6.686 13.609 ( -2.802 3.808 2.747) 5.468 14.319 ( 0.478 -0.161 3.005) 3.047 14.363 ( -2.029 -0.107 -1.952) 2.818 14.827 ( 4.087 -0.949 8.204) 9.214 14.865 ( 6.342 -2.534 -1.459) 6.984 14.987 ( -2.991 0.520 -1.981) 3.625 15.058 ( -2.298 2.660 0.938) 3.638 15.207 ( -7.303 0.228 2.957) 7.883 15.300 ( -6.593 6.141 -11.206) 14.379 15.727 ( 5.507 2.478 -4.270) 7.396 15.822 ( -7.254 -1.275 5.753) 9.346 16.067 ( 5.171 4.710 1.985) 7.271 16.159 ( -4.508 3.026 0.497) 5.452 16.247 ( 5.119 1.840 -2.153) 5.851 16.303 ( -2.995 4.323 1.375) 5.435 16.500 ( 3.560 10.194 2.460) 11.074 16.595 ( -2.163 9.521 -7.852) 12.529 17.004 ( 0.707 2.030 2.060) 2.977 17.058 ( -4.584 6.417 1.016) 7.952 17.215 ( 6.081 3.170 -0.823) 6.907 17.296 ( -2.802 3.999 0.798) 4.948 18.435 ( 1.483 5.316 0.410) 5.534 18.478 ( -2.408 5.333 -0.508) 5.874 18.607 ( 1.776 -14.018 0.773) 14.151 18.632 ( -0.263 -12.868 -0.415) 12.877 19.145 ( -2.625 8.735 4.131) 10.012 19.153 ( -0.304 8.638 -4.289) 9.650 20.538 ( 0.569 -8.781 0.285) 8.804 20.541 ( 0.497 -9.200 -0.172) 9.215 ======================= Grid point 108 (50/55) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.281 5.012 -4.123) 6.616 1.099 ( -1.281 5.012 4.123) 6.616 1.365 ( 1.760 1.018 -6.834) 7.130 1.365 ( -1.760 1.018 6.834) 7.130 1.623 ( -1.553 5.469 -4.514) 7.260 1.623 ( 1.553 5.469 4.514) 7.260 1.656 ( 1.410 7.447 -2.070) 7.857 1.656 ( -1.410 7.447 2.070) 7.857 1.878 ( 0.280 -1.382 -3.297) 3.586 1.878 ( -0.280 -1.382 3.297) 3.586 2.039 ( -1.843 -0.464 -1.504) 2.424 2.039 ( 1.843 -0.464 1.504) 2.424 2.192 ( 0.046 -2.336 -6.054) 6.489 2.192 ( -0.046 -2.336 6.054) 6.489 2.271 ( 1.587 -2.000 -1.200) 2.821 2.271 ( -1.587 -2.000 1.200) 2.821 2.338 ( -2.652 2.809 -2.461) 4.580 2.338 ( 2.652 2.809 2.461) 4.580 2.413 ( 2.645 -1.555 -2.521) 3.971 2.413 ( -2.645 -1.555 2.521) 3.971 2.533 ( -0.058 2.957 -2.274) 3.731 2.533 ( 0.058 2.957 2.274) 3.731 2.600 ( -2.300 -4.249 -0.057) 4.832 2.600 ( 2.300 -4.249 0.057) 4.832 2.644 ( -4.623 3.157 -1.324) 5.752 2.644 ( 4.623 3.157 1.324) 5.752 2.752 ( 0.061 -0.219 -2.263) 2.275 2.752 ( -0.061 -0.219 2.263) 2.275 2.875 ( 0.072 -0.617 -3.951) 3.999 2.875 ( -0.072 -0.617 3.951) 3.999 2.934 ( -1.243 0.596 -3.612) 3.866 2.934 ( 1.243 0.596 3.612) 3.866 3.160 ( -1.310 -6.392 -2.074) 6.847 3.160 ( 1.310 -6.392 2.074) 6.847 3.263 ( -0.928 -1.109 -6.194) 6.360 3.263 ( 0.928 -1.109 6.194) 6.360 3.349 ( 2.482 3.985 -2.126) 5.153 3.349 ( -2.482 3.985 2.126) 5.153 3.598 ( -3.315 -6.048 -1.730) 7.111 3.598 ( 3.315 -6.048 1.730) 7.111 3.690 ( -2.635 7.960 -7.936) 11.545 3.690 ( 2.635 7.960 7.936) 11.545 3.794 ( 1.234 2.980 -1.979) 3.785 3.794 ( -1.234 2.980 1.979) 3.785 4.005 ( 0.008 -2.950 -5.346) 6.106 4.005 ( -0.008 -2.950 5.346) 6.106 4.083 ( -4.887 2.303 -0.660) 5.443 4.083 ( 4.887 2.303 0.660) 5.443 4.346 ( -1.699 -2.350 -4.350) 5.228 4.346 ( 1.699 -2.350 4.350) 5.228 4.525 ( -5.915 -4.972 -1.014) 7.793 4.525 ( 5.915 -4.972 1.014) 7.793 4.715 ( -6.659 -0.262 0.125) 6.666 4.715 ( 6.659 -0.262 -0.125) 6.666 4.837 ( 7.546 -0.779 -3.757) 8.465 4.837 ( -7.546 -0.779 3.757) 8.465 5.188 ( -8.306 2.368 -8.919) 12.415 5.188 ( 8.306 2.368 8.919) 12.415 5.254 ( 0.583 -2.997 -1.568) 3.432 5.254 ( -0.583 -2.997 1.568) 3.432 5.390 ( 2.293 -1.857 -2.311) 3.748 5.390 ( -2.293 -1.857 2.311) 3.748 5.438 ( -2.904 -0.002 -2.952) 4.141 5.438 ( 2.904 -0.002 2.952) 4.141 5.573 ( -0.233 0.626 -3.188) 3.258 5.573 ( 0.233 0.626 3.188) 3.258 5.696 ( -5.271 -1.727 -5.634) 7.906 5.696 ( 5.271 -1.727 5.634) 7.906 5.831 ( -0.887 -5.928 -2.599) 6.533 5.831 ( 0.887 -5.928 2.599) 6.533 5.946 ( -4.365 3.386 -2.595) 6.104 5.946 ( 4.365 3.386 2.595) 6.104 6.079 ( -7.591 4.061 -5.053) 9.983 6.079 ( 7.591 4.061 5.053) 9.983 6.173 ( -1.259 9.704 -1.682) 9.928 6.173 ( 1.259 9.704 1.682) 9.928 6.327 ( -4.698 3.746 -1.851) 6.287 6.327 ( 4.698 3.746 1.851) 6.287 6.472 ( -5.170 1.455 -2.472) 5.912 6.472 ( 5.170 1.455 2.472) 5.912 6.687 ( -4.303 5.952 -1.049) 7.419 6.687 ( 4.303 5.952 1.049) 7.419 6.911 ( -2.671 0.625 -1.463) 3.109 6.911 ( 2.671 0.625 1.463) 3.109 7.060 ( -1.952 -3.076 -5.475) 6.577 7.060 ( 1.952 -3.076 5.475) 6.577 7.308 ( -2.359 -4.206 -3.475) 5.944 7.308 ( 2.359 -4.206 3.475) 5.944 7.380 ( 0.747 3.868 -5.440) 6.716 7.380 ( -0.747 3.868 5.440) 6.716 7.458 ( 0.311 1.135 -1.248) 1.716 7.458 ( -0.311 1.135 1.248) 1.716 7.576 ( -6.122 -0.426 -2.308) 6.556 7.576 ( 6.122 -0.426 2.308) 6.556 7.744 ( 0.709 0.689 -1.786) 2.042 7.744 ( -0.709 0.689 1.786) 2.042 7.946 ( 1.665 0.311 -1.167) 2.057 7.946 ( -1.665 0.311 1.167) 2.057 8.129 ( -1.889 3.390 -4.774) 6.153 8.129 ( 1.889 3.390 4.774) 6.153 8.212 ( -3.720 5.006 -2.473) 6.710 8.212 ( 3.720 5.006 2.473) 6.710 8.275 ( -2.113 4.517 -1.383) 5.175 8.275 ( 2.113 4.517 1.383) 5.175 8.555 ( -1.664 -2.323 -2.394) 3.728 8.555 ( 1.664 -2.323 2.394) 3.728 8.861 ( -3.107 1.046 -0.134) 3.281 8.861 ( 3.107 1.046 0.134) 3.281 8.906 ( -5.241 5.001 -12.440) 14.395 8.906 ( 5.241 5.001 12.440) 14.395 9.142 ( 0.541 10.379 -3.828) 11.076 9.142 ( -0.541 10.379 3.828) 11.076 9.448 ( 0.115 2.220 -7.229) 7.563 9.448 ( -0.115 2.220 7.229) 7.563 9.745 ( -3.526 -1.263 -1.372) 3.989 9.745 ( 3.526 -1.263 1.372) 3.989 9.953 ( 0.740 2.673 -3.249) 4.272 9.953 ( -0.740 2.673 3.249) 4.272 10.075 ( -3.886 1.614 -4.433) 6.112 10.075 ( 3.886 1.614 4.433) 6.112 10.501 ( -1.031 14.136 -4.839) 14.977 10.501 ( 1.031 14.136 4.839) 14.977 10.928 ( -2.809 4.658 -8.509) 10.099 10.928 ( 2.809 4.658 8.509) 10.099 11.019 ( 0.189 4.174 -6.410) 7.651 11.019 ( -0.189 4.174 6.410) 7.651 11.592 ( -0.199 -4.711 -1.668) 5.001 11.592 ( 0.199 -4.711 1.668) 5.001 11.792 ( -0.190 1.093 -1.751) 2.073 11.792 ( 0.190 1.093 1.751) 2.073 12.039 ( -2.277 1.854 -2.970) 4.176 12.039 ( 2.277 1.854 2.970) 4.176 12.506 ( -2.680 -4.131 -1.180) 5.063 12.506 ( 2.680 -4.131 1.180) 5.063 12.678 ( -1.748 -6.218 -8.427) 10.618 12.678 ( 1.748 -6.218 8.427) 10.618 13.578 ( -1.422 2.386 -0.104) 2.780 13.578 ( 1.422 2.386 0.104) 2.780 13.709 ( 0.734 6.300 -2.116) 6.686 13.709 ( -0.734 6.300 2.116) 6.686 14.385 ( -3.245 0.541 -5.262) 6.206 14.385 ( 3.245 0.541 5.262) 6.206 14.627 ( -1.974 -4.527 -9.343) 10.568 14.627 ( 1.974 -4.527 9.343) 10.568 15.145 ( -3.408 2.085 -1.053) 4.132 15.145 ( 3.408 2.085 1.053) 4.132 15.520 ( 4.617 -1.727 -5.105) 7.096 15.520 ( -4.617 -1.727 5.105) 7.096 15.802 ( -1.733 -1.272 -7.070) 7.390 15.802 ( 1.733 -1.272 7.070) 7.390 16.000 ( -2.182 1.638 -3.275) 4.263 16.000 ( 2.182 1.638 3.275) 4.263 16.432 ( -2.766 6.278 -0.853) 6.913 16.432 ( 2.766 6.278 0.853) 6.913 16.638 ( -8.544 3.511 0.353) 9.244 16.638 ( 8.544 3.511 -0.353) 9.244 17.117 ( 0.757 11.087 -5.251) 12.291 17.117 ( -0.757 11.087 5.251) 12.291 17.552 ( 1.525 16.220 -2.537) 16.488 17.552 ( -1.525 16.220 2.537) 16.488 18.224 ( -1.790 -16.018 -0.794) 16.137 18.224 ( 1.790 -16.018 0.794) 16.137 18.507 ( 0.967 -10.052 -2.996) 10.533 18.507 ( -0.967 -10.052 2.996) 10.533 19.461 ( 2.069 15.654 -3.397) 16.151 19.461 ( -2.069 15.654 3.397) 16.151 20.316 ( -0.052 -11.766 -0.155) 11.767 20.316 ( 0.052 -11.766 0.155) 11.767 ======================= Grid point 110 (51/55) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 8.385 2.236 1.662) 8.835 1.276 ( 10.054 -1.289 -0.156) 10.137 1.423 ( 4.169 3.072 5.401) 7.483 1.460 ( 7.762 2.391 1.174) 8.207 1.596 ( 3.479 4.604 -3.535) 6.767 1.635 ( 1.635 4.688 1.351) 5.145 1.689 ( 2.774 4.643 -2.245) 5.856 1.814 ( 7.029 1.483 0.357) 7.193 1.853 ( 2.064 -0.479 -1.094) 2.385 1.968 ( 3.741 -0.717 1.876) 4.246 2.037 ( 3.121 2.312 -1.038) 4.020 2.108 ( 1.313 -1.812 3.132) 3.849 2.153 ( 0.944 1.824 -3.455) 4.019 2.202 ( -3.345 1.167 0.785) 3.628 2.224 ( 1.073 -1.201 1.485) 2.191 2.278 ( -4.182 -2.449 5.917) 7.648 2.334 ( 3.690 1.035 -1.460) 4.101 2.379 ( 2.246 2.979 -0.678) 3.792 2.406 ( 1.017 -1.113 1.251) 1.959 2.425 ( -0.405 -4.220 -1.966) 4.673 2.479 ( -2.060 3.024 -4.559) 5.846 2.545 ( -0.584 -0.198 -1.319) 1.456 2.554 ( -0.773 0.612 -0.348) 1.045 2.591 ( 0.008 1.235 -3.266) 3.491 2.639 ( 2.021 -5.167 -0.194) 5.552 2.729 ( 0.173 -1.628 -3.903) 4.233 2.756 ( 1.028 -1.417 -1.327) 2.196 2.774 ( 1.545 0.982 2.456) 3.063 2.852 ( 2.041 1.274 1.970) 3.109 2.879 ( 1.516 0.534 -2.651) 3.100 2.923 ( 0.069 2.707 3.478) 4.408 3.032 ( 4.467 -1.160 0.283) 4.624 3.126 ( -1.093 -4.008 1.053) 4.285 3.166 ( -1.945 0.594 -2.715) 3.392 3.199 ( -2.447 -1.624 -1.049) 3.118 3.317 ( 0.233 -6.285 3.593) 7.243 3.337 ( 0.834 -1.304 3.275) 3.623 3.374 ( 0.271 9.402 -2.045) 9.626 3.476 ( -4.808 -2.199 -2.940) 6.049 3.628 ( -0.260 3.366 -0.214) 3.383 3.642 ( 1.393 -0.797 1.380) 2.117 3.748 ( -3.358 1.718 -5.074) 6.322 3.816 ( 5.221 0.489 -1.668) 5.503 3.844 ( 2.393 -1.275 -1.316) 3.014 3.926 ( -2.344 -4.569 1.346) 5.309 4.024 ( -2.494 0.353 4.255) 4.945 4.067 ( 4.273 0.386 2.190) 4.817 4.212 ( 3.803 6.836 4.985) 9.276 4.331 ( 2.408 -6.430 -0.687) 6.900 4.357 ( -4.814 0.657 0.452) 4.880 4.423 ( -1.949 -1.217 4.055) 4.660 4.504 ( -10.281 5.398 -1.140) 11.668 4.659 ( 0.781 0.595 2.178) 2.389 4.721 ( -4.480 -1.237 1.945) 5.038 4.877 ( -1.870 -1.331 -0.152) 2.301 4.916 ( 8.250 -6.787 -0.644) 10.703 5.034 ( 0.788 3.401 -3.364) 4.848 5.138 ( -8.147 -3.820 4.660) 10.133 5.209 ( -3.731 -1.196 -2.029) 4.413 5.266 ( -3.583 -0.529 -6.093) 7.089 5.318 ( -0.381 -2.449 -2.381) 3.437 5.380 ( -0.277 -0.635 -2.473) 2.569 5.484 ( 2.757 -1.543 1.180) 3.372 5.517 ( -1.414 -2.170 -1.578) 3.033 5.549 ( -1.818 -2.971 -2.050) 4.041 5.608 ( 0.984 0.846 1.473) 1.963 5.615 ( 4.099 0.931 0.871) 4.293 5.766 ( -0.479 -7.873 1.495) 8.028 5.850 ( 0.698 4.431 -0.239) 4.492 5.864 ( -1.152 0.994 2.180) 2.659 5.880 ( -1.789 5.510 6.046) 8.373 5.976 ( 0.701 -1.579 -0.130) 1.733 6.003 ( 1.524 -4.506 -0.411) 4.774 6.117 ( -0.937 8.862 -4.732) 10.090 6.197 ( 2.758 6.565 -1.220) 7.224 6.224 ( 1.924 2.956 1.765) 3.944 6.264 ( 0.873 5.544 -3.384) 6.554 6.407 ( 0.092 0.168 -0.257) 0.320 6.455 ( 7.872 2.243 0.236) 8.189 6.557 ( -3.536 4.177 2.793) 6.144 6.631 ( 2.664 0.515 -0.006) 2.713 6.694 ( -4.566 3.587 0.272) 5.813 6.891 ( -5.429 -1.381 -0.407) 5.617 6.930 ( 3.071 1.566 -2.024) 3.997 6.955 ( -2.163 -1.217 -1.006) 2.679 7.094 ( -1.289 1.207 4.304) 4.652 7.201 ( -5.558 -1.586 -4.610) 7.393 7.293 ( -3.275 5.012 2.428) 6.461 7.352 ( 0.482 2.367 -0.489) 2.465 7.380 ( -2.481 -1.014 1.360) 3.006 7.407 ( -2.366 6.425 -1.049) 6.927 7.538 ( 4.646 2.391 1.377) 5.404 7.553 ( 3.441 -1.555 1.743) 4.159 7.691 ( 3.698 -1.893 -0.272) 4.163 7.738 ( 1.170 0.645 -0.141) 1.344 7.782 ( 2.945 1.847 -2.318) 4.178 7.918 ( -0.754 0.041 -3.965) 4.037 7.964 ( -0.206 -1.022 1.205) 1.593 8.114 ( -1.826 3.998 -1.634) 4.689 8.137 ( -0.658 1.470 -1.803) 2.418 8.217 ( 0.453 4.486 -1.880) 4.885 8.285 ( 2.919 3.419 5.736) 7.288 8.302 ( 6.676 1.363 3.223) 7.537 8.364 ( 5.356 6.669 0.754) 8.587 8.453 ( -3.500 0.878 1.556) 3.929 8.641 ( 2.938 -1.552 1.517) 3.652 8.727 ( -2.824 1.273 -10.216) 10.675 8.780 ( -3.647 0.230 -0.471) 3.685 8.892 ( -1.955 7.704 -4.386) 9.078 9.072 ( 2.167 9.509 2.193) 9.997 9.136 ( 1.523 -0.454 7.331) 7.501 9.184 ( 3.901 9.847 2.201) 10.818 9.404 ( -0.382 4.752 -4.192) 6.348 9.502 ( -0.931 0.475 9.160) 9.220 9.708 ( 0.881 -1.135 -0.889) 1.690 9.837 ( 2.730 0.426 -3.414) 4.392 9.899 ( -0.402 4.698 -0.183) 4.719 9.943 ( -2.936 -0.009 1.422) 3.263 10.038 ( 2.552 4.028 -1.214) 4.921 10.179 ( 2.325 5.795 -0.495) 6.263 10.477 ( 2.967 10.277 -3.867) 11.374 10.540 ( -0.331 14.727 3.277) 15.090 10.810 ( -2.936 0.722 -5.432) 6.217 10.986 ( 2.051 4.244 -4.829) 6.748 11.045 ( 2.754 3.323 4.780) 6.440 11.078 ( 1.106 6.383 5.521) 8.512 11.476 ( -8.722 0.012 1.082) 8.789 11.572 ( -5.564 -4.845 2.356) 7.745 11.722 ( -3.187 0.204 -1.095) 3.376 11.812 ( 0.506 0.430 1.321) 1.479 12.002 ( -0.276 0.293 -2.305) 2.340 12.106 ( 1.608 -0.890 -0.859) 2.028 12.503 ( 3.644 0.275 -0.635) 3.709 12.585 ( 3.523 -7.744 -0.939) 8.559 12.616 ( 1.769 -6.140 -4.315) 7.710 12.764 ( 1.592 -7.171 4.221) 8.472 13.544 ( -1.417 2.969 -0.364) 3.310 13.591 ( 0.236 2.022 -1.089) 2.309 13.703 ( -0.052 6.228 0.597) 6.257 13.720 ( 0.331 6.532 -0.004) 6.541 14.309 ( -1.776 -0.602 -1.324) 2.295 14.452 ( -1.408 3.614 1.868) 4.305 14.600 ( 4.582 -7.254 -0.632) 8.603 14.742 ( 1.886 -2.861 8.260) 8.943 15.043 ( -3.618 -2.383 0.297) 4.343 15.108 ( -6.512 0.433 -0.236) 6.531 15.389 ( -8.088 -0.521 -3.010) 8.646 15.513 ( -1.488 -0.121 -8.529) 8.659 15.768 ( 1.103 3.122 -0.544) 3.356 15.864 ( -2.131 -1.317 4.658) 5.289 16.001 ( 4.142 1.773 2.933) 5.376 16.111 ( 5.609 -1.874 0.128) 5.915 16.365 ( -3.205 9.844 2.257) 10.596 16.469 ( -2.896 4.138 -2.196) 5.508 16.534 ( 2.719 6.172 -0.168) 6.747 16.779 ( 5.588 2.691 -4.214) 7.498 17.121 ( 2.491 12.249 -0.893) 12.532 17.155 ( 1.636 10.315 2.229) 10.679 17.498 ( -5.532 17.921 2.991) 18.992 17.522 ( -2.580 14.336 -2.022) 14.706 18.201 ( 0.258 -16.985 0.628) 16.999 18.281 ( 3.081 -15.745 0.079) 16.044 18.467 ( -2.622 -10.056 -1.548) 10.507 18.490 ( -2.625 -10.994 0.604) 11.319 19.435 ( -2.590 16.498 3.095) 16.984 19.459 ( 0.198 16.705 -3.272) 17.024 20.323 ( 0.777 -12.038 -0.013) 12.063 20.328 ( 0.878 -11.681 0.035) 11.714 ======================= Grid point 111 (52/55) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 7.092 -2.396 0.380) 7.495 1.390 ( 0.121 -3.835 2.346) 4.497 1.575 ( 8.711 3.537 3.501) 10.032 1.603 ( 4.795 -1.042 1.693) 5.191 1.663 ( 2.322 -0.391 -5.058) 5.579 1.692 ( 0.639 4.262 -0.885) 4.400 1.742 ( 5.372 0.305 0.931) 5.460 1.844 ( -2.809 -1.482 -2.384) 3.971 1.875 ( 2.758 2.005 -2.100) 4.004 1.934 ( -5.587 3.139 2.804) 6.996 2.126 ( -0.553 -0.994 2.698) 2.928 2.146 ( -1.159 -1.423 1.153) 2.167 2.169 ( 2.946 1.539 -2.780) 4.333 2.206 ( 0.138 0.302 4.823) 4.835 2.257 ( 2.700 4.783 4.645) 7.193 2.280 ( 1.894 -0.278 -2.118) 2.855 2.354 ( 1.470 2.276 -5.863) 6.459 2.374 ( -0.563 0.220 0.668) 0.901 2.437 ( 0.770 -0.069 2.857) 2.959 2.463 ( 4.044 -0.416 -4.124) 5.791 2.493 ( -0.107 -0.412 -0.600) 0.735 2.497 ( 1.380 3.680 -0.070) 3.931 2.529 ( -2.730 -1.015 0.380) 2.937 2.578 ( -1.248 -1.475 0.263) 1.950 2.686 ( 1.378 -1.224 -7.135) 7.370 2.695 ( -2.095 -5.689 1.176) 6.176 2.730 ( 6.525 -6.338 -0.137) 9.097 2.833 ( 0.205 0.024 -0.075) 0.219 2.876 ( 0.487 3.021 -2.153) 3.742 2.928 ( 3.095 3.604 2.063) 5.179 2.978 ( 2.408 0.727 0.667) 2.603 3.032 ( -2.584 -1.426 2.057) 3.597 3.083 ( -3.472 0.672 -4.606) 5.807 3.114 ( -5.964 1.295 3.403) 6.987 3.210 ( 5.551 1.361 1.065) 5.814 3.288 ( -3.172 -4.184 0.761) 5.306 3.364 ( -0.017 7.240 1.667) 7.429 3.398 ( -1.827 -0.184 -2.006) 2.719 3.412 ( 3.638 -2.228 2.458) 4.923 3.565 ( -7.946 -4.190 -6.672) 11.190 3.678 ( 4.477 -4.204 0.806) 6.194 3.715 ( 2.025 0.224 2.412) 3.157 3.851 ( 1.345 -4.380 -1.451) 4.806 3.875 ( 0.348 -2.859 -0.168) 2.885 3.961 ( 5.163 2.477 -1.422) 5.900 4.058 ( 0.729 -1.079 3.312) 3.559 4.082 ( -1.297 3.183 -0.267) 3.448 4.228 ( -11.944 4.650 0.195) 12.819 4.279 ( -1.856 0.882 0.120) 2.058 4.308 ( -4.639 -4.294 0.200) 6.325 4.390 ( 6.921 12.069 4.009) 14.478 4.472 ( 2.262 6.813 5.210) 8.870 4.633 ( -1.035 7.375 -3.411) 8.192 4.729 ( -4.314 -1.287 -0.211) 4.507 4.847 ( 5.289 -6.440 2.349) 8.659 4.962 ( 4.092 -6.177 1.525) 7.565 5.043 ( -3.864 -3.508 3.048) 6.044 5.094 ( -5.260 -2.264 -8.052) 9.881 5.125 ( -2.094 -2.877 -5.941) 6.925 5.155 ( -5.838 -1.466 2.204) 6.410 5.270 ( 2.902 -2.590 1.314) 4.106 5.369 ( -2.854 0.306 -2.615) 3.883 5.459 ( 2.223 -2.731 3.509) 4.972 5.501 ( 3.948 -6.096 -0.705) 7.296 5.571 ( -0.608 -1.478 -1.644) 2.293 5.603 ( -3.211 -5.342 0.522) 6.254 5.685 ( 3.573 3.675 0.747) 5.180 5.793 ( -3.480 7.882 -1.347) 8.721 5.810 ( -0.596 -3.038 0.426) 3.125 5.849 ( -1.908 -1.912 -4.158) 4.958 5.906 ( 2.594 0.591 9.497) 9.862 5.974 ( 1.586 2.131 -3.824) 4.656 6.077 ( 3.104 1.673 -1.330) 3.769 6.108 ( -0.994 0.465 2.285) 2.535 6.204 ( 1.811 5.800 -1.142) 6.182 6.249 ( -1.353 1.722 1.505) 2.658 6.325 ( 5.470 0.216 -0.844) 5.539 6.421 ( 2.056 -0.522 -2.331) 3.151 6.461 ( -2.949 1.500 -3.073) 4.516 6.558 ( -6.942 -0.474 3.406) 7.747 6.636 ( 5.223 4.458 -0.197) 6.870 6.680 ( 0.373 0.382 2.355) 2.415 6.796 ( -1.592 -3.327 0.600) 3.736 6.847 ( -4.717 -2.321 -1.399) 5.440 7.004 ( 1.725 1.883 -2.975) 3.921 7.048 ( -4.940 0.207 2.075) 5.362 7.174 ( 5.639 9.870 -0.635) 11.385 7.264 ( -3.581 8.834 2.999) 9.992 7.316 ( -1.366 3.870 -1.081) 4.244 7.326 ( -1.586 4.990 -1.632) 5.485 7.470 ( 5.302 0.633 1.194) 5.472 7.554 ( -1.647 2.004 -1.026) 2.790 7.661 ( 2.472 0.707 4.311) 5.019 7.703 ( -0.872 4.524 0.096) 4.608 7.805 ( 2.680 1.626 0.829) 3.242 7.826 ( 4.416 -5.107 0.233) 6.756 7.860 ( 0.265 1.792 -8.159) 8.358 7.939 ( -5.317 -7.091 -0.632) 8.886 8.071 ( -1.229 4.307 2.684) 5.222 8.088 ( -0.981 5.237 -1.042) 5.429 8.235 ( 3.193 3.115 -2.115) 4.937 8.311 ( -4.810 4.106 2.228) 6.705 8.417 ( 3.789 0.813 5.733) 6.920 8.460 ( 3.463 1.304 -2.799) 4.639 8.509 ( 5.553 3.128 -0.107) 6.374 8.600 ( -4.072 2.017 -1.533) 4.796 8.716 ( -2.504 0.806 1.803) 3.189 8.733 ( -1.217 3.683 -2.841) 4.808 8.853 ( 7.777 2.475 -1.174) 8.245 9.031 ( -7.073 2.745 -0.059) 7.588 9.199 ( 4.004 10.467 0.602) 11.223 9.275 ( -2.678 8.586 1.907) 9.194 9.428 ( 6.908 1.165 -2.485) 7.433 9.513 ( -4.328 1.500 6.909) 8.289 9.755 ( 2.992 -1.378 1.420) 3.587 9.806 ( -1.360 1.208 -2.076) 2.760 9.890 ( 2.311 -0.758 -2.889) 3.777 9.947 ( -2.317 6.674 1.681) 7.262 10.088 ( 3.035 7.505 1.625) 8.257 10.161 ( -1.879 8.186 -2.722) 8.829 10.498 ( 1.344 8.569 -1.547) 8.811 10.544 ( -2.177 8.711 -0.410) 8.988 10.814 ( 6.708 3.801 -0.064) 7.710 10.958 ( -5.197 5.086 -0.485) 7.288 11.113 ( 6.552 3.693 -6.957) 10.245 11.143 ( -1.337 2.225 9.197) 9.557 11.352 ( -2.641 1.105 0.375) 2.887 11.424 ( -8.483 -2.086 0.085) 8.736 11.728 ( 2.255 -0.511 4.418) 4.986 11.809 ( -1.694 -0.498 -2.291) 2.893 11.995 ( 0.875 -1.182 1.120) 1.848 12.059 ( -2.912 -2.042 -4.468) 5.711 12.614 ( 4.698 -2.899 0.346) 5.531 12.622 ( 3.065 -5.876 -2.303) 7.016 12.665 ( 2.605 -6.946 3.049) 8.020 12.765 ( -2.962 -6.947 -1.407) 7.682 13.540 ( 0.912 2.576 0.850) 2.862 13.573 ( -1.115 1.567 -1.444) 2.405 13.712 ( 0.338 6.669 0.620) 6.706 13.720 ( -0.157 7.052 -0.225) 7.057 14.307 ( 1.647 -0.226 1.545) 2.269 14.384 ( -4.418 1.788 -1.465) 4.986 14.725 ( 7.399 -9.396 -2.485) 12.215 14.803 ( -1.169 -4.117 7.227) 8.399 14.950 ( -4.173 -2.719 4.517) 6.724 15.060 ( -4.276 -1.314 -1.273) 4.651 15.242 ( 0.882 3.503 -1.085) 3.771 15.377 ( -5.549 1.425 -8.694) 10.411 15.798 ( 2.258 4.116 -1.728) 5.003 15.832 ( -3.318 1.964 3.723) 5.359 16.111 ( 3.561 0.306 3.142) 4.759 16.163 ( 0.317 -1.999 -2.181) 2.975 16.364 ( 0.308 8.822 3.927) 9.661 16.402 ( -1.458 5.937 -2.537) 6.619 16.637 ( 6.694 5.799 0.328) 8.862 16.763 ( -3.745 5.109 -3.491) 7.233 17.179 ( 3.325 14.527 -0.233) 14.904 17.208 ( 1.321 9.430 0.731) 9.550 17.420 ( -3.251 17.286 3.444) 17.923 17.449 ( -2.822 12.603 -2.362) 13.129 18.247 ( 3.367 -17.718 2.004) 18.146 18.318 ( -0.624 -17.374 -0.848) 17.405 18.406 ( -0.171 -10.604 -3.325) 11.115 18.435 ( -3.583 -10.779 2.070) 11.546 19.419 ( -1.043 17.947 2.856) 18.203 19.434 ( -0.251 18.072 -2.956) 18.313 20.339 ( 0.615 -12.084 0.041) 12.100 20.342 ( 0.355 -11.882 -0.032) 11.887 ======================= Grid point 114 (53/55) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.275 0.245 -1.468) 1.514 1.138 ( 0.275 0.245 1.468) 1.514 1.388 ( 1.178 1.034 -2.213) 2.712 1.388 ( -1.178 1.034 2.213) 2.712 1.673 ( -1.381 0.498 -1.066) 1.814 1.673 ( 1.381 0.498 1.066) 1.814 1.804 ( 0.261 6.801 -3.778) 7.785 1.804 ( -0.261 6.801 3.778) 7.785 1.855 ( -3.981 -0.586 -1.201) 4.200 1.855 ( 3.981 -0.586 1.201) 4.200 2.063 ( -0.108 2.565 -2.879) 3.857 2.063 ( 0.108 2.565 2.879) 3.857 2.120 ( 3.851 -4.422 -6.027) 8.409 2.120 ( -3.851 -4.422 6.027) 8.409 2.164 ( 0.978 -6.543 -2.101) 6.941 2.164 ( -0.978 -6.543 2.101) 6.941 2.357 ( -0.811 -0.476 -1.608) 1.863 2.357 ( 0.811 -0.476 1.609) 1.863 2.371 ( -0.355 -1.645 -1.832) 2.488 2.371 ( 0.355 -1.645 1.832) 2.488 2.545 ( 0.348 1.074 -1.967) 2.268 2.545 ( -0.348 1.074 1.967) 2.268 2.651 ( 0.577 4.232 -3.242) 5.362 2.651 ( -0.577 4.232 3.242) 5.362 2.697 ( -3.092 2.615 -2.082) 4.554 2.697 ( 3.092 2.615 2.082) 4.554 2.748 ( -0.533 -0.448 -0.355) 0.781 2.748 ( 0.533 -0.448 0.355) 0.781 2.857 ( -3.495 -0.464 -0.698) 3.594 2.857 ( 3.495 -0.464 0.698) 3.594 2.951 ( 1.715 -4.138 -2.973) 5.376 2.951 ( -1.715 -4.138 2.973) 5.376 3.110 ( 0.628 4.968 -3.989) 6.402 3.110 ( -0.628 4.968 3.989) 6.402 3.264 ( -2.483 1.409 -1.730) 3.338 3.264 ( 2.483 1.409 1.730) 3.338 3.369 ( -3.910 -3.502 -0.660) 5.290 3.369 ( 3.910 -3.502 0.660) 5.290 3.454 ( -2.659 -4.459 -3.337) 6.171 3.454 ( 2.659 -4.459 3.337) 6.171 3.658 ( -1.160 -3.943 -2.221) 4.672 3.658 ( 1.160 -3.943 2.221) 4.672 3.919 ( 0.741 1.634 -0.587) 1.888 3.919 ( -0.741 1.634 0.587) 1.888 4.055 ( -4.816 5.659 0.841) 7.478 4.055 ( 4.816 5.659 -0.841) 7.478 4.116 ( -6.849 -0.274 -3.319) 7.616 4.116 ( 6.849 -0.274 3.319) 7.616 4.379 ( -3.554 0.847 -4.524) 5.815 4.379 ( 3.554 0.847 4.524) 5.815 4.446 ( -1.997 1.557 -1.246) 2.822 4.446 ( 1.997 1.557 1.246) 2.822 4.754 ( 0.656 4.997 -2.367) 5.568 4.754 ( -0.656 4.997 2.367) 5.568 4.845 ( -2.123 -0.657 -1.702) 2.799 4.845 ( 2.123 -0.657 1.702) 2.799 5.211 ( 5.625 -1.148 -2.055) 6.098 5.211 ( -5.625 -1.148 2.055) 6.098 5.238 ( -6.882 2.451 -8.225) 11.001 5.238 ( 6.882 2.451 8.225) 11.001 5.313 ( -5.954 -4.415 -3.435) 8.169 5.313 ( 5.954 -4.415 3.435) 8.169 5.373 ( -0.958 -6.877 -2.466) 7.369 5.373 ( 0.958 -6.877 2.466) 7.369 5.575 ( -2.095 -0.291 -0.912) 2.303 5.575 ( 2.095 -0.291 0.912) 2.303 5.602 ( -4.625 -3.638 0.207) 5.888 5.602 ( 4.625 -3.638 -0.207) 5.888 5.746 ( -1.693 -1.086 -2.150) 2.944 5.746 ( 1.693 -1.086 2.150) 2.944 6.024 ( -2.770 3.077 -0.696) 4.198 6.024 ( 2.770 3.077 0.696) 4.198 6.198 ( -4.650 5.614 -2.771) 7.798 6.198 ( 4.650 5.614 2.771) 7.798 6.323 ( -5.795 1.928 -2.871) 6.748 6.323 ( 5.795 1.928 2.871) 6.748 6.380 ( 1.281 3.989 -1.549) 4.467 6.380 ( -1.281 3.989 1.549) 4.467 6.467 ( -6.349 -1.877 -1.368) 6.760 6.467 ( 6.349 -1.877 1.368) 6.760 6.811 ( -5.140 5.847 -1.143) 7.869 6.811 ( 5.140 5.847 1.143) 7.869 6.915 ( -5.496 -1.746 0.862) 5.831 6.915 ( 5.496 -1.746 -0.862) 5.831 7.027 ( -4.676 2.267 -3.864) 6.476 7.027 ( 4.676 2.267 3.864) 6.476 7.187 ( -6.388 -7.526 -1.671) 10.012 7.187 ( 6.388 -7.526 1.671) 10.012 7.379 ( -2.000 -0.868 0.289) 2.199 7.379 ( 2.000 -0.868 -0.289) 2.199 7.533 ( -0.804 2.375 -2.749) 3.721 7.533 ( 0.804 2.375 2.749) 3.721 7.601 ( -1.993 4.144 -2.742) 5.354 7.601 ( 1.993 4.144 2.742) 5.354 7.747 ( -1.180 -1.397 -1.319) 2.255 7.747 ( 1.180 -1.397 1.319) 2.255 7.871 ( 1.297 -4.904 -4.431) 6.735 7.871 ( -1.297 -4.904 4.431) 6.735 8.153 ( 0.888 1.136 -3.251) 3.556 8.153 ( -0.888 1.136 3.251) 3.556 8.334 ( 0.039 4.227 -0.381) 4.244 8.334 ( -0.039 4.227 0.381) 4.244 8.382 ( -3.751 4.973 -1.872) 6.504 8.382 ( 3.751 4.973 1.872) 6.504 8.493 ( -2.327 -3.421 -1.971) 4.583 8.493 ( 2.327 -3.421 1.971) 4.583 8.838 ( -2.369 -1.345 -1.280) 3.010 8.838 ( 2.369 -1.345 1.280) 3.010 9.005 ( -1.520 3.382 -5.792) 6.877 9.005 ( 1.520 3.382 5.792) 6.877 9.347 ( -0.657 8.557 -7.031) 11.095 9.347 ( 0.657 8.557 7.031) 11.095 9.445 ( 0.093 -0.892 -5.490) 5.563 9.445 ( -0.093 -0.892 5.490) 5.563 9.688 ( -2.553 -4.324 -1.388) 5.210 9.688 ( 2.553 -4.324 1.388) 5.210 9.981 ( -0.055 0.923 -3.037) 3.175 9.981 ( 0.055 0.923 3.037) 3.175 10.124 ( -2.018 2.007 -2.892) 4.058 10.124 ( 2.018 2.007 2.892) 4.058 10.715 ( -1.881 7.378 -1.272) 7.719 10.715 ( 1.881 7.378 1.272) 7.719 10.947 ( -3.019 -1.644 -2.894) 4.494 10.947 ( 3.019 -1.644 2.894) 4.494 11.116 ( -0.878 4.406 -1.923) 4.887 11.116 ( 0.878 4.406 1.923) 4.887 11.506 ( 0.484 -3.453 -0.481) 3.520 11.506 ( -0.484 -3.453 0.481) 3.520 11.818 ( -0.151 1.212 -1.453) 1.899 11.818 ( 0.151 1.212 1.453) 1.899 12.062 ( -1.171 0.349 -1.500) 1.935 12.062 ( 1.171 0.349 1.500) 1.935 12.458 ( 0.291 -0.517 -1.412) 1.531 12.458 ( -0.291 -0.517 1.412) 1.531 12.577 ( -1.155 -3.776 -4.278) 5.822 12.577 ( 1.155 -3.776 4.278) 5.822 13.618 ( -0.240 1.256 -0.508) 1.376 13.618 ( 0.240 1.256 0.508) 1.376 13.812 ( 0.329 3.594 -0.875) 3.714 13.812 ( -0.329 3.594 0.875) 3.714 14.404 ( -2.977 1.273 -6.677) 7.421 14.404 ( 2.977 1.273 6.677) 7.421 14.530 ( -2.569 -4.232 -8.331) 9.691 14.530 ( 2.569 -4.232 8.331) 9.691 15.181 ( -2.550 1.317 -1.002) 3.040 15.181 ( 2.550 1.317 1.002) 3.040 15.477 ( 2.270 -1.836 -1.317) 3.203 15.477 ( -2.270 -1.836 1.317) 3.203 15.793 ( -0.328 0.054 -2.507) 2.529 15.793 ( 0.328 0.054 2.507) 2.529 16.016 ( -0.886 0.193 -1.170) 1.480 16.016 ( 0.886 0.193 1.170) 1.480 16.533 ( 0.250 3.450 -1.430) 3.742 16.533 ( -0.250 3.450 1.430) 3.742 16.670 ( -3.563 0.057 -1.188) 3.756 16.670 ( 3.563 0.057 1.188) 3.756 17.414 ( -1.327 18.268 -1.796) 18.404 17.414 ( 1.327 18.268 1.796) 18.404 17.769 ( -0.204 -5.548 -1.883) 5.862 17.769 ( 0.204 -5.548 1.883) 5.862 17.994 ( 1.796 4.316 -2.575) 5.337 17.994 ( -1.796 4.316 2.575) 5.337 18.257 ( 0.302 -15.370 -2.714) 15.611 18.257 ( -0.302 -15.370 2.714) 15.611 19.771 ( 1.288 16.247 -1.638) 16.380 19.771 ( -1.288 16.247 1.638) 16.380 20.066 ( 0.626 -14.480 -0.600) 14.506 20.066 ( -0.626 -14.480 0.600) 14.506 ======================= Grid point 116 (54/55) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 5.117 1.184 1.315) 5.414 1.215 ( 4.845 -3.298 2.459) 6.356 1.473 ( 6.058 2.125 2.466) 6.877 1.495 ( 8.348 0.149 -0.081) 8.350 1.650 ( 0.250 3.251 -2.702) 4.235 1.717 ( 0.669 1.662 1.573) 2.384 1.752 ( -1.497 -1.593 -4.714) 5.197 1.783 ( 0.693 0.333 -0.740) 1.067 1.888 ( 4.122 4.729 -0.046) 6.273 1.962 ( 3.820 -1.910 2.014) 4.722 2.070 ( 0.823 0.578 3.494) 3.635 2.080 ( -0.254 -0.311 2.606) 2.637 2.148 ( 2.562 -1.073 3.598) 4.545 2.162 ( -0.437 -4.204 4.185) 5.948 2.194 ( 6.553 -0.397 -1.521) 6.739 2.235 ( 3.452 -4.030 2.850) 6.024 2.322 ( 0.679 1.345 -1.410) 2.064 2.364 ( 1.035 -0.514 -1.972) 2.286 2.370 ( 0.060 -1.115 0.499) 1.223 2.402 ( 3.189 -2.248 -2.422) 4.593 2.495 ( -1.351 -0.812 -4.677) 4.935 2.512 ( -1.687 -0.036 -6.052) 6.283 2.610 ( -3.671 3.153 -1.552) 5.082 2.642 ( -0.213 2.996 -1.713) 3.458 2.677 ( -3.033 2.366 -1.584) 4.160 2.692 ( -0.946 1.946 -1.805) 2.818 2.726 ( 0.077 -0.973 -0.491) 1.092 2.779 ( 3.953 -0.968 0.427) 4.092 2.862 ( 1.991 0.928 1.948) 2.936 2.913 ( 1.387 -1.052 1.883) 2.565 2.941 ( 1.407 -0.608 0.907) 1.781 3.012 ( 2.077 -5.097 -0.940) 5.584 3.109 ( 0.105 4.907 2.654) 5.580 3.180 ( 1.616 -0.253 -0.004) 1.635 3.194 ( -1.436 3.261 1.498) 3.865 3.258 ( -2.114 -2.915 -0.894) 3.711 3.293 ( -1.503 1.518 -0.688) 2.244 3.399 ( -0.592 -5.580 0.614) 5.645 3.462 ( 2.675 3.364 -0.235) 4.304 3.581 ( 6.228 -4.914 2.947) 8.462 3.647 ( -0.385 -1.821 -1.735) 2.545 3.718 ( 1.039 -5.073 1.647) 5.434 3.803 ( -4.469 2.447 -6.139) 7.978 3.846 ( -2.867 -1.546 -6.695) 7.445 4.017 ( -0.936 5.340 2.810) 6.107 4.053 ( 1.859 1.868 1.324) 2.949 4.113 ( -0.058 2.912 0.664) 2.987 4.199 ( -0.177 -6.577 1.934) 6.857 4.246 ( -2.934 7.991 0.816) 8.552 4.432 ( 3.988 -0.502 2.602) 4.788 4.529 ( 1.909 2.822 3.033) 4.562 4.615 ( 5.087 1.269 6.485) 8.340 4.698 ( -6.754 6.586 1.857) 9.615 4.771 ( -0.243 11.176 0.934) 11.217 4.803 ( 1.200 -4.162 -0.339) 4.344 4.887 ( -1.355 2.481 1.107) 3.036 5.051 ( -4.810 -0.879 -2.116) 5.328 5.085 ( -10.012 -5.361 -3.074) 11.766 5.121 ( -2.106 -5.179 -2.075) 5.964 5.231 ( -2.567 -7.261 -4.280) 8.811 5.279 ( 1.413 1.529 -1.613) 2.633 5.368 ( -2.060 1.710 -1.854) 3.257 5.380 ( 0.878 -7.569 0.288) 7.625 5.450 ( -3.955 -5.776 -3.892) 8.009 5.498 ( -0.628 0.935 2.571) 2.807 5.553 ( 0.849 -3.405 4.112) 5.406 5.626 ( 3.068 0.369 0.634) 3.155 5.652 ( 4.220 -3.021 -1.491) 5.400 5.837 ( 3.679 -0.683 3.202) 4.925 5.853 ( 1.484 -2.094 4.493) 5.174 5.955 ( -0.240 4.053 -3.209) 5.175 6.006 ( -2.238 -0.728 -2.763) 3.630 6.096 ( -5.012 11.045 1.212) 12.189 6.234 ( 0.645 0.015 0.722) 0.968 6.286 ( 2.404 2.052 -0.494) 3.199 6.290 ( -3.485 1.368 -0.689) 3.807 6.362 ( -2.687 2.768 -3.798) 5.414 6.380 ( 0.020 -1.641 -2.588) 3.064 6.510 ( 7.841 5.984 0.800) 9.896 6.604 ( 5.052 -2.002 1.279) 5.583 6.681 ( -5.957 5.948 -0.253) 8.422 6.791 ( -6.014 5.755 2.897) 8.814 6.807 ( -7.348 -5.878 -1.471) 9.524 6.882 ( -5.139 -1.485 1.596) 5.582 7.000 ( 1.117 -0.646 -1.181) 1.749 7.051 ( -0.633 -5.583 -2.525) 6.160 7.225 ( 6.037 6.778 0.955) 9.127 7.341 ( 0.301 1.869 4.080) 4.498 7.348 ( 4.481 -2.413 0.744) 5.143 7.399 ( 2.101 -5.228 2.611) 6.210 7.470 ( -1.807 4.407 -0.712) 4.816 7.528 ( -2.565 2.462 0.066) 3.556 7.632 ( 3.669 2.410 0.113) 4.391 7.662 ( 3.433 3.444 -0.073) 4.864 7.746 ( 1.549 -2.140 -2.862) 3.895 7.801 ( 2.454 -2.386 -1.071) 3.586 7.863 ( -0.109 -3.405 -1.719) 3.816 7.873 ( 1.289 -4.029 -2.952) 5.159 8.159 ( 0.913 3.705 2.069) 4.340 8.202 ( 0.426 0.467 -0.240) 0.676 8.286 ( -1.328 3.970 -3.180) 5.257 8.341 ( -1.670 -0.035 1.846) 2.489 8.364 ( 1.780 3.661 1.635) 4.386 8.421 ( 1.527 -2.506 1.649) 3.366 8.491 ( 4.035 5.960 1.058) 7.275 8.587 ( 4.703 -3.973 0.841) 6.213 8.748 ( -3.302 1.738 -2.581) 4.537 8.783 ( -4.382 -0.916 -2.146) 4.965 9.018 ( 0.309 4.999 -2.286) 5.505 9.094 ( -0.939 -2.946 3.236) 4.476 9.274 ( 2.076 10.654 1.198) 10.920 9.365 ( 1.025 6.401 -3.894) 7.562 9.453 ( 0.643 -2.242 4.425) 5.002 9.480 ( -0.297 -1.353 4.537) 4.744 9.676 ( 1.287 1.390 0.275) 1.915 9.782 ( 3.067 -6.808 -0.345) 7.475 9.919 ( -0.826 3.102 -4.949) 5.899 9.968 ( 1.075 -1.637 -2.077) 2.855 10.165 ( 3.394 7.097 3.742) 8.712 10.239 ( 4.846 -0.168 2.326) 5.378 10.651 ( -1.639 7.594 -3.633) 8.576 10.743 ( 1.919 0.668 -3.888) 4.387 10.827 ( -6.517 6.722 -0.503) 9.376 10.971 ( -0.408 -5.285 -1.871) 5.621 11.128 ( 1.597 4.455 2.060) 5.161 11.166 ( 1.177 1.477 3.943) 4.373 11.467 ( -4.506 0.070 3.122) 5.482 11.500 ( -3.229 -2.863 3.418) 5.505 11.765 ( -3.111 3.397 -0.215) 4.612 11.810 ( -1.404 -0.951 1.567) 2.309 12.016 ( -1.618 1.676 -2.945) 3.755 12.069 ( -0.919 -3.126 -2.370) 4.029 12.487 ( 3.372 -2.102 -1.397) 4.211 12.496 ( 3.250 -1.929 -0.351) 3.795 12.558 ( 2.089 1.635 -2.107) 3.388 12.637 ( 2.004 -5.826 1.950) 6.462 13.596 ( -0.903 2.083 -1.032) 2.494 13.615 ( -0.484 0.219 -1.002) 1.135 13.812 ( 0.304 4.151 0.225) 4.168 13.822 ( 0.564 3.197 -0.073) 3.247 14.322 ( -1.034 2.648 -3.148) 4.242 14.425 ( 0.127 -7.529 -5.375) 9.252 14.559 ( 2.197 5.097 9.477) 10.982 14.664 ( 2.350 -5.249 10.484) 11.957 15.021 ( -8.404 0.912 -1.772) 8.637 15.071 ( -9.407 -3.513 -1.034) 10.094 15.419 ( -2.376 3.214 -5.991) 7.202 15.482 ( -0.927 -2.860 -7.045) 7.660 15.820 ( 2.048 2.245 2.539) 3.960 15.849 ( 0.860 -0.813 4.815) 4.958 16.029 ( 3.024 1.567 0.795) 3.497 16.067 ( 3.314 -2.365 0.167) 4.074 16.511 ( -0.804 4.111 -0.639) 4.237 16.527 ( -0.717 1.662 -2.900) 3.418 16.651 ( 1.850 6.120 1.565) 6.582 16.755 ( 3.244 -4.202 1.328) 5.472 17.405 ( 1.851 17.716 -1.413) 17.868 17.469 ( 2.714 18.642 1.270) 18.882 17.750 ( -0.017 -4.992 -2.207) 5.458 17.765 ( -2.140 3.190 1.260) 4.043 17.957 ( -3.995 5.355 4.003) 7.789 18.000 ( 1.280 -5.801 -2.955) 6.635 18.207 ( -2.726 -15.738 -3.833) 16.426 18.235 ( -3.802 -15.535 3.140) 16.299 19.761 ( -0.687 17.013 1.439) 17.087 19.781 ( 0.784 16.568 -1.534) 16.657 20.067 ( 0.303 -14.876 0.541) 14.889 20.079 ( 0.943 -14.495 -0.570) 14.537 ======================= Grid point 117 (55/55) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 5.056 -0.497 0.963) 5.171 1.320 ( 2.210 -2.712 3.491) 4.942 1.579 ( 1.885 -0.168 -0.954) 2.119 1.595 ( 1.869 -1.404 0.495) 2.389 1.661 ( 3.597 2.185 -2.771) 5.039 1.715 ( 1.702 -2.705 -1.228) 3.423 1.733 ( -0.862 0.284 1.133) 1.451 1.771 ( -1.612 -3.610 -2.808) 4.850 1.967 ( 3.523 5.393 0.043) 6.441 2.000 ( -1.197 2.343 3.603) 4.462 2.083 ( -0.857 -2.092 5.157) 5.630 2.103 ( -0.589 -3.837 -1.105) 4.036 2.205 ( 1.171 1.982 1.724) 2.876 2.216 ( 2.105 1.458 -1.537) 2.986 2.296 ( 0.591 1.908 8.956) 9.176 2.324 ( 5.289 0.106 4.789) 7.136 2.375 ( 1.054 0.978 -1.480) 2.064 2.380 ( 0.021 -0.165 0.225) 0.280 2.386 ( 2.473 0.479 -3.648) 4.433 2.433 ( 0.310 -1.257 -8.492) 8.590 2.459 ( 2.845 -2.306 -2.315) 4.333 2.462 ( 2.704 -6.161 -3.076) 7.398 2.523 ( -4.168 1.523 -0.460) 4.461 2.588 ( -5.380 -4.436 -1.627) 7.160 2.650 ( 1.523 2.908 0.584) 3.334 2.662 ( 2.707 -0.005 -0.710) 2.799 2.760 ( 3.594 6.415 -4.971) 8.875 2.831 ( -2.474 0.912 2.677) 3.757 2.894 ( 3.897 -0.909 -3.146) 5.090 2.948 ( 0.240 -1.889 3.176) 3.703 2.982 ( -1.364 -3.024 2.337) 4.058 3.017 ( 0.447 -4.306 -1.787) 4.683 3.081 ( -1.904 7.971 2.051) 8.448 3.131 ( -4.137 1.562 1.363) 4.627 3.230 ( 3.446 -2.244 0.309) 4.123 3.281 ( -0.567 -5.864 0.446) 5.909 3.307 ( 4.229 4.776 1.098) 6.473 3.414 ( 2.413 -4.004 1.329) 4.861 3.451 ( -5.322 2.962 -1.925) 6.387 3.510 ( -5.549 -2.113 -5.184) 7.882 3.666 ( 0.621 1.557 0.818) 1.865 3.698 ( -1.865 -1.901 1.220) 2.929 3.796 ( 3.146 -0.278 -0.336) 3.176 3.830 ( 0.869 -2.606 -0.009) 2.747 4.067 ( 4.210 3.980 -0.913) 5.865 4.093 ( 2.264 6.599 2.373) 7.369 4.178 ( 3.999 -6.884 0.342) 7.968 4.199 ( 1.464 -1.007 0.532) 1.854 4.262 ( 0.663 11.537 0.608) 11.572 4.382 ( -9.660 8.375 -1.962) 12.934 4.538 ( 2.067 2.496 4.181) 5.290 4.644 ( -0.505 -2.086 2.093) 2.998 4.662 ( -5.243 -6.535 1.009) 8.439 4.720 ( -4.509 -1.978 -3.273) 5.912 4.779 ( 1.070 2.702 2.169) 3.626 4.868 ( -3.943 -0.250 -1.659) 4.285 4.948 ( 3.682 0.992 1.837) 4.232 5.062 ( 0.242 -4.197 0.763) 4.273 5.127 ( 0.049 4.230 -2.830) 5.090 5.187 ( -5.624 5.370 0.372) 7.785 5.220 ( 3.643 -2.636 -2.090) 4.958 5.346 ( -3.871 -4.384 -0.074) 5.849 5.388 ( -1.670 -2.807 1.114) 3.451 5.421 ( 4.783 -2.366 -0.276) 5.343 5.452 ( 2.319 -5.413 -0.693) 5.929 5.499 ( -4.904 -6.225 -2.529) 8.318 5.696 ( -0.630 -0.259 0.800) 1.051 5.742 ( -3.138 -5.601 -0.809) 6.471 5.812 ( 2.796 3.558 4.302) 6.243 5.882 ( 4.241 -2.476 5.536) 7.401 5.939 ( -3.407 5.396 -4.852) 8.016 5.995 ( -0.022 0.013 -3.697) 3.697 6.125 ( 4.813 4.532 1.805) 6.853 6.201 ( -2.719 -1.688 -0.587) 3.254 6.244 ( -2.681 1.804 4.226) 5.320 6.278 ( -2.611 0.125 -2.160) 3.391 6.368 ( 6.644 4.507 -3.747) 8.860 6.416 ( 4.859 -0.744 -4.050) 6.369 6.535 ( -6.201 4.934 0.653) 7.951 6.568 ( -6.071 1.444 3.236) 7.029 6.682 ( 3.457 1.444 -0.566) 3.789 6.729 ( -1.554 0.491 0.292) 1.655 6.747 ( 1.894 1.131 0.379) 2.238 6.807 ( -3.866 -2.221 1.539) 4.716 6.983 ( -0.372 -2.677 -1.845) 3.272 6.996 ( -2.220 -4.107 -0.486) 4.694 7.343 ( 4.115 4.918 -0.239) 6.417 7.370 ( -0.031 1.423 -0.259) 1.446 7.401 ( -0.889 4.595 6.175) 7.748 7.421 ( 0.986 7.239 -5.317) 9.036 7.481 ( 2.306 -0.612 7.488) 7.859 7.589 ( 1.464 2.068 1.473) 2.931 7.612 ( 1.278 -4.123 -4.025) 5.902 7.715 ( 0.505 -0.844 -3.928) 4.049 7.761 ( 0.844 -1.605 -0.084) 1.815 7.771 ( -3.256 -7.086 1.881) 8.022 7.877 ( 1.791 2.217 -0.513) 2.896 7.888 ( 2.190 0.564 -4.217) 4.786 8.149 ( -1.330 3.100 -0.627) 3.431 8.161 ( -2.497 2.004 -0.136) 3.205 8.300 ( 3.645 3.243 -0.411) 4.896 8.349 ( -0.912 -1.144 1.783) 2.307 8.428 ( 3.297 2.058 2.715) 4.741 8.485 ( 1.227 -2.679 0.588) 3.005 8.538 ( 1.057 4.422 -1.051) 4.666 8.608 ( -3.396 -1.683 -0.342) 3.805 8.732 ( 0.562 1.288 2.013) 2.455 8.757 ( 2.489 -1.016 -0.466) 2.728 8.949 ( -0.238 5.966 -1.857) 6.252 9.030 ( -4.924 -2.246 -1.758) 5.691 9.383 ( 4.390 7.897 -0.062) 9.035 9.432 ( 3.141 6.733 2.480) 7.833 9.451 ( 2.572 0.270 -3.014) 3.971 9.528 ( -2.577 -1.129 8.690) 9.134 9.676 ( 0.341 -2.134 -0.948) 2.360 9.742 ( -3.808 -5.731 -3.381) 7.666 9.954 ( 4.555 3.953 -0.153) 6.032 10.000 ( 0.898 -0.615 -0.061) 1.090 10.233 ( 0.766 6.111 3.247) 6.962 10.273 ( -0.046 2.344 -4.439) 5.020 10.636 ( 2.133 6.458 -1.939) 7.072 10.697 ( -4.624 4.682 0.918) 6.644 10.815 ( 4.996 -0.096 1.290) 5.161 10.924 ( -3.147 -6.712 -2.816) 7.930 11.177 ( 2.891 2.905 -1.150) 4.256 11.199 ( -0.525 1.296 3.128) 3.427 11.397 ( -3.089 2.937 1.679) 4.581 11.424 ( -5.299 0.508 1.661) 5.576 11.751 ( 0.998 2.723 2.647) 3.926 11.796 ( -1.457 -1.249 0.193) 1.929 11.973 ( -0.498 -0.194 -0.533) 0.754 12.008 ( -2.043 -3.136 -4.063) 5.524 12.541 ( 2.847 -2.068 -1.709) 3.912 12.551 ( 1.463 -3.072 0.092) 3.404 12.612 ( 3.148 0.784 0.965) 3.385 12.659 ( -0.705 -4.114 -0.217) 4.179 13.582 ( 0.021 1.551 -0.187) 1.562 13.594 ( -0.740 0.335 -0.957) 1.255 13.823 ( 0.534 3.938 0.128) 3.976 13.829 ( 0.080 3.414 -0.036) 3.415 14.331 ( 3.123 3.153 -0.027) 4.438 14.402 ( -1.459 -1.799 -1.937) 3.019 14.586 ( -0.366 -1.883 0.702) 2.042 14.669 ( -7.688 -7.878 4.374) 11.845 14.958 ( 2.544 2.592 4.747) 5.977 15.017 ( 0.673 -3.086 2.283) 3.897 15.311 ( -2.202 3.479 -4.628) 6.194 15.366 ( -4.544 -2.092 -7.238) 8.798 15.862 ( 0.948 2.164 0.356) 2.389 15.870 ( -0.709 1.286 2.191) 2.637 16.106 ( 2.469 -0.133 1.970) 3.161 16.122 ( 1.649 -1.803 -0.280) 2.460 16.496 ( -0.503 3.754 -0.012) 3.787 16.498 ( -0.183 3.314 -1.809) 3.780 16.725 ( 3.933 3.608 0.878) 5.409 16.782 ( -1.146 -2.009 0.121) 2.316 17.461 ( 4.234 16.974 -0.955) 17.520 17.509 ( -0.510 18.243 1.490) 18.311 17.720 ( -0.898 10.797 -1.329) 10.916 17.732 ( -1.520 5.871 -0.192) 6.068 17.937 ( -0.414 -5.918 5.189) 7.882 17.991 ( -1.084 -12.455 -3.200) 12.905 18.141 ( 1.093 -15.924 -5.853) 17.001 18.173 ( -4.921 -16.132 4.678) 17.502 19.766 ( 0.133 17.737 1.237) 17.781 19.778 ( -0.037 17.471 -1.296) 17.519 20.080 ( 0.517 -15.108 0.481) 15.125 20.087 ( 0.229 -14.884 -0.501) 14.894 =================== 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 3/30240 10.0 156.021 113.172 177.902 0.000 46.137 0.000 3/30240 20.0 28.577 21.749 24.972 0.000 4.219 0.000 3/30240 30.0 12.977 10.299 10.844 0.000 1.531 0.000 3/30240 40.0 7.992 6.514 6.638 0.000 0.841 0.000 3/30240 50.0 5.656 4.686 4.697 0.000 0.554 0.000 3/30240 60.0 4.333 3.629 3.599 0.000 0.403 0.000 3/30240 70.0 3.495 2.950 2.902 0.000 0.313 0.000 3/30240 80.0 2.922 2.481 2.425 0.000 0.253 0.000 3/30240 90.0 2.508 2.141 2.081 0.000 0.212 0.000 3/30240 100.0 2.197 1.884 1.822 0.000 0.182 0.000 3/30240 110.0 1.954 1.684 1.621 0.000 0.159 0.000 3/30240 120.0 1.760 1.524 1.460 0.000 0.142 0.000 3/30240 130.0 1.602 1.393 1.329 0.000 0.127 0.000 3/30240 140.0 1.470 1.284 1.220 0.000 0.116 0.000 3/30240 150.0 1.359 1.193 1.128 0.000 0.106 0.000 3/30240 160.0 1.264 1.114 1.049 0.000 0.098 0.000 3/30240 170.0 1.181 1.046 0.981 0.000 0.091 0.000 3/30240 180.0 1.109 0.987 0.921 0.000 0.085 0.000 3/30240 190.0 1.046 0.935 0.868 0.000 0.079 0.000 3/30240 200.0 0.989 0.888 0.821 0.000 0.075 0.000 3/30240 210.0 0.939 0.847 0.780 0.000 0.071 0.000 3/30240 220.0 0.893 0.809 0.742 0.000 0.067 0.000 3/30240 230.0 0.852 0.775 0.708 0.000 0.064 0.000 3/30240 240.0 0.815 0.744 0.677 0.000 0.061 0.000 3/30240 250.0 0.780 0.716 0.648 0.000 0.058 0.000 3/30240 260.0 0.749 0.689 0.622 0.000 0.055 0.000 3/30240 270.0 0.720 0.665 0.598 0.000 0.053 0.000 3/30240 280.0 0.693 0.642 0.576 0.000 0.051 0.000 3/30240 290.0 0.668 0.621 0.555 0.000 0.049 0.000 3/30240 300.0 0.645 0.602 0.536 0.000 0.047 0.000 3/30240 310.0 0.624 0.583 0.518 0.000 0.046 0.000 3/30240 320.0 0.604 0.566 0.502 0.000 0.044 0.000 3/30240 330.0 0.585 0.550 0.486 0.000 0.043 0.000 3/30240 340.0 0.567 0.535 0.471 0.000 0.041 0.000 3/30240 350.0 0.551 0.520 0.458 0.000 0.040 0.000 3/30240 360.0 0.535 0.507 0.445 0.000 0.039 0.000 3/30240 370.0 0.520 0.494 0.432 0.000 0.038 0.000 3/30240 380.0 0.506 0.481 0.421 0.000 0.037 0.000 3/30240 390.0 0.493 0.470 0.410 0.000 0.036 0.000 3/30240 400.0 0.481 0.458 0.399 0.000 0.035 0.000 3/30240 410.0 0.469 0.448 0.389 0.000 0.034 0.000 3/30240 420.0 0.457 0.438 0.380 0.000 0.033 0.000 3/30240 430.0 0.446 0.428 0.371 0.000 0.032 0.000 3/30240 440.0 0.436 0.419 0.362 0.000 0.031 0.000 3/30240 450.0 0.426 0.410 0.354 0.000 0.031 0.000 3/30240 460.0 0.417 0.401 0.346 0.000 0.030 0.000 3/30240 470.0 0.408 0.393 0.339 0.000 0.029 0.000 3/30240 480.0 0.399 0.385 0.332 0.000 0.029 0.000 3/30240 490.0 0.391 0.378 0.325 0.000 0.028 0.000 3/30240 500.0 0.383 0.370 0.318 0.000 0.027 0.000 3/30240 510.0 0.376 0.363 0.312 0.000 0.027 0.000 3/30240 520.0 0.368 0.357 0.306 0.000 0.026 0.000 3/30240 530.0 0.361 0.350 0.300 0.000 0.026 0.000 3/30240 540.0 0.355 0.344 0.295 0.000 0.025 0.000 3/30240 550.0 0.348 0.338 0.289 0.000 0.025 0.000 3/30240 560.0 0.342 0.332 0.284 0.000 0.024 0.000 3/30240 570.0 0.336 0.327 0.279 0.000 0.024 0.000 3/30240 580.0 0.330 0.321 0.274 0.000 0.024 0.000 3/30240 590.0 0.324 0.316 0.269 0.000 0.023 0.000 3/30240 600.0 0.319 0.311 0.265 0.000 0.023 0.000 3/30240 610.0 0.314 0.306 0.261 0.000 0.022 0.000 3/30240 620.0 0.308 0.301 0.256 0.000 0.022 0.000 3/30240 630.0 0.304 0.296 0.252 0.000 0.022 0.000 3/30240 640.0 0.299 0.292 0.248 0.000 0.021 0.000 3/30240 650.0 0.294 0.288 0.244 0.000 0.021 0.000 3/30240 660.0 0.290 0.283 0.241 0.000 0.021 0.000 3/30240 670.0 0.285 0.279 0.237 0.000 0.020 0.000 3/30240 680.0 0.281 0.275 0.234 0.000 0.020 0.000 3/30240 690.0 0.277 0.271 0.230 0.000 0.020 0.000 3/30240 700.0 0.273 0.268 0.227 0.000 0.019 0.000 3/30240 710.0 0.269 0.264 0.224 0.000 0.019 0.000 3/30240 720.0 0.265 0.260 0.220 0.000 0.019 0.000 3/30240 730.0 0.262 0.257 0.217 0.000 0.019 0.000 3/30240 740.0 0.258 0.253 0.214 0.000 0.018 0.000 3/30240 750.0 0.255 0.250 0.212 0.000 0.018 0.000 3/30240 760.0 0.251 0.247 0.209 0.000 0.018 0.000 3/30240 770.0 0.248 0.244 0.206 0.000 0.018 0.000 3/30240 780.0 0.245 0.241 0.203 0.000 0.017 0.000 3/30240 790.0 0.242 0.238 0.201 0.000 0.017 0.000 3/30240 800.0 0.239 0.235 0.198 0.000 0.017 0.000 3/30240 810.0 0.236 0.232 0.196 0.000 0.017 0.000 3/30240 820.0 0.233 0.229 0.193 0.000 0.017 0.000 3/30240 830.0 0.230 0.226 0.191 0.000 0.016 0.000 3/30240 840.0 0.227 0.224 0.189 0.000 0.016 0.000 3/30240 850.0 0.225 0.221 0.187 0.000 0.016 0.000 3/30240 860.0 0.222 0.219 0.184 0.000 0.016 0.000 3/30240 870.0 0.219 0.216 0.182 0.000 0.016 0.000 3/30240 880.0 0.217 0.214 0.180 0.000 0.015 0.000 3/30240 890.0 0.214 0.211 0.178 0.000 0.015 0.000 3/30240 900.0 0.212 0.209 0.176 0.000 0.015 0.000 3/30240 910.0 0.210 0.207 0.174 0.000 0.015 0.000 3/30240 920.0 0.207 0.205 0.172 0.000 0.015 0.000 3/30240 930.0 0.205 0.203 0.171 0.000 0.015 0.000 3/30240 940.0 0.203 0.200 0.169 0.000 0.014 0.000 3/30240 950.0 0.201 0.198 0.167 0.000 0.014 0.000 3/30240 960.0 0.199 0.196 0.165 0.000 0.014 0.000 3/30240 970.0 0.197 0.194 0.163 0.000 0.014 0.000 3/30240 980.0 0.195 0.192 0.162 0.000 0.014 0.000 3/30240 990.0 0.193 0.190 0.160 0.000 0.014 0.000 3/30240 1000.0 0.191 0.189 0.159 0.000 0.014 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m594.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:22:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|