# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3e303db3-bac8-44ff-b401-e616330172d5/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for BaH4(IO)2 / C2/c (15) / materials id 24090](https://mdr.nims.go.jp/datasets/a58b2f90-1564-4791-b34b-64805b8b4f74) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 05:45:04]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 5.523519085202953 -3.706987405000000 0.000000000000000 b 5.523519085202953 3.706987405000000 0.000000000000000 c -3.278577138276731 0.000000000000000 7.862626615673366Atomic positions (fractional): *1 H 0.87075953138041 0.27434474280035 0.12631516776277 1.008 2 H 0.72565525719965 0.12924046861959 0.37368483223723 1.008 3 H 0.12924046861959 0.72565525719965 0.87368483223723 1.008 4 H 0.27434474280035 0.87075953138041 0.62631516776277 1.008 *5 H 0.71732184326748 0.12039898580648 0.04958134707094 1.008 6 H 0.87960101419352 0.28267815673252 0.45041865292906 1.008 7 H 0.12039898580648 0.71732184326748 0.54958134707094 1.008 8 H 0.28267815673252 0.87960101419352 0.95041865292906 1.008 *9 O 0.72693745865080 0.28172026678325 0.44188146159357 15.999 10 O 0.71827973321675 0.27306254134920 0.05811853840643 15.999 11 O 0.27306254134920 0.71827973321675 0.55811853840643 15.999 12 O 0.28172026678325 0.72693745865080 0.94188146159357 15.999 *13 I 0.77240531157010 0.80487366618663 0.64834325010356 126.904 14 I 0.19512633381337 0.22759468842990 0.85165674989644 126.904 15 I 0.80487366618663 0.77240531157010 0.14834325010356 126.904 16 I 0.22759468842990 0.19512633381337 0.35165674989644 126.904 *17 Ba 0.59685692130759 0.40314307869241 0.75000000000000 137.327 18 Ba 0.40314307869241 0.59685692130759 0.25000000000000 137.327-------------------------------- unit cell ---------------------------------Lattice vectors: a 11.047038170405907 0.000000000000000 0.000000000000000 b 0.000000000000000 7.413974810000000 0.000000000000000 c -3.278577138276731 0.000000000000000 7.862626615673366Atomic positions (fractional): *1 H 0.07255213709038 0.20179260570997 0.12631516776277 1.008 > 1 2 H 0.92744786290962 0.20179260570997 0.37368483223723 1.008 > 2 3 H 0.92744786290962 0.79820739429003 0.87368483223723 1.008 > 3 4 H 0.07255213709038 0.79820739429003 0.62631516776277 1.008 > 4 *5 H 0.91886041453698 0.20153857126950 0.04958134707094 1.008 > 5 6 H 0.08113958546302 0.20153857126950 0.45041865292906 1.008 > 6 7 H 0.91886041453698 0.79846142873050 0.54958134707094 1.008 > 7 8 H 0.08113958546302 0.79846142873050 0.95041865292906 1.008 > 8 9 H 0.57255213709038 0.70179260570997 0.12631516776277 1.008 > 1 10 H 0.42744786290962 0.70179260570997 0.37368483223723 1.008 > 2 11 H 0.42744786290962 0.29820739429003 0.87368483223723 1.008 > 3 12 H 0.57255213709038 0.29820739429003 0.62631516776277 1.008 > 4 13 H 0.41886041453698 0.70153857126950 0.04958134707094 1.008 > 5 14 H 0.58113958546302 0.70153857126950 0.45041865292906 1.008 > 6 15 H 0.41886041453698 0.29846142873050 0.54958134707094 1.008 > 7 16 H 0.58113958546302 0.29846142873050 0.95041865292906 1.008 > 8 *17 O 0.00432886271702 0.27739140406622 0.44188146159357 15.999 > 9 18 O 0.99567113728298 0.27739140406622 0.05811853840643 15.999 > 10 19 O 0.99567113728298 0.72260859593378 0.55811853840643 15.999 > 11 20 O 0.00432886271702 0.72260859593378 0.94188146159357 15.999 > 12 21 O 0.50432886271702 0.77739140406622 0.44188146159357 15.999 > 9 22 O 0.49567113728298 0.77739140406622 0.05811853840643 15.999 > 10 23 O 0.49567113728298 0.22260859593377 0.55811853840643 15.999 > 11 24 O 0.50432886271702 0.22260859593377 0.94188146159357 15.999 > 12 *25 I 0.28863948887836 0.51623417730826 0.64834325010356 126.904 > 13 26 I 0.71136051112164 0.51623417730826 0.85165674989644 126.904 > 14 27 I 0.28863948887836 0.48376582269174 0.14834325010356 126.904 > 15 28 I 0.71136051112164 0.48376582269174 0.35165674989644 126.904 > 16 29 I 0.78863948887836 0.01623417730826 0.64834325010356 126.904 > 13 30 I 0.21136051112164 0.01623417730826 0.85165674989644 126.904 > 14 31 I 0.78863948887836 0.98376582269174 0.14834325010356 126.904 > 15 32 I 0.21136051112164 0.98376582269174 0.35165674989644 126.904 > 16 *33 Ba 0.00000000000000 0.40314307869241 0.75000000000000 137.327 > 17 34 Ba 0.00000000000000 0.59685692130759 0.25000000000000 137.327 > 18 35 Ba 0.50000000000000 0.90314307869241 0.75000000000000 137.327 > 17 36 Ba 0.50000000000000 0.09685692130759 0.25000000000000 137.327 > 18-------------------------------- super cell --------------------------------Lattice vectors: a 11.047038170405907 0.000000000000000 0.000000000000000 b 0.000000000000000 14.827949620000000 0.000000000000000 c -6.557154276553462 0.000000000000000 15.725253231346732Atomic positions (fractional): *1 H 0.07255213709038 0.10089630285498 0.06315758388139 1.008 > 1 2 H 0.07255213709038 0.60089630285498 0.06315758388139 1.008 > 1 3 H 0.07255213709038 0.10089630285498 0.56315758388139 1.008 > 1 4 H 0.07255213709038 0.60089630285498 0.56315758388139 1.008 > 1 5 H 0.92744786290962 0.10089630285498 0.18684241611861 1.008 > 2 6 H 0.92744786290962 0.60089630285498 0.18684241611861 1.008 > 2 7 H 0.92744786290962 0.10089630285498 0.68684241611861 1.008 > 2 8 H 0.92744786290962 0.60089630285498 0.68684241611861 1.008 > 2 9 H 0.92744786290962 0.39910369714502 0.43684241611861 1.008 > 3 10 H 0.92744786290962 0.89910369714502 0.43684241611861 1.008 > 3 11 H 0.92744786290962 0.39910369714502 0.93684241611861 1.008 > 3 12 H 0.92744786290962 0.89910369714502 0.93684241611861 1.008 > 3 13 H 0.07255213709038 0.39910369714502 0.31315758388139 1.008 > 4 14 H 0.07255213709038 0.89910369714502 0.31315758388139 1.008 > 4 15 H 0.07255213709038 0.39910369714502 0.81315758388139 1.008 > 4 16 H 0.07255213709038 0.89910369714502 0.81315758388139 1.008 > 4 *17 H 0.91886041453698 0.10076928563475 0.02479067353547 1.008 > 5 18 H 0.91886041453698 0.60076928563475 0.02479067353547 1.008 > 5 19 H 0.91886041453698 0.10076928563475 0.52479067353547 1.008 > 5 20 H 0.91886041453698 0.60076928563475 0.52479067353547 1.008 > 5 21 H 0.08113958546302 0.10076928563475 0.22520932646453 1.008 > 6 22 H 0.08113958546302 0.60076928563475 0.22520932646453 1.008 > 6 23 H 0.08113958546302 0.10076928563475 0.72520932646453 1.008 > 6 24 H 0.08113958546302 0.60076928563475 0.72520932646453 1.008 > 6 25 H 0.91886041453698 0.39923071436525 0.27479067353547 1.008 > 7 26 H 0.91886041453698 0.89923071436525 0.27479067353547 1.008 > 7 27 H 0.91886041453698 0.39923071436525 0.77479067353547 1.008 > 7 28 H 0.91886041453698 0.89923071436525 0.77479067353547 1.008 > 7 29 H 0.08113958546302 0.39923071436525 0.47520932646453 1.008 > 8 30 H 0.08113958546302 0.89923071436525 0.47520932646453 1.008 > 8 31 H 0.08113958546302 0.39923071436525 0.97520932646453 1.008 > 8 32 H 0.08113958546302 0.89923071436525 0.97520932646453 1.008 > 8 33 H 0.57255213709038 0.35089630285498 0.06315758388139 1.008 > 1 34 H 0.57255213709038 0.85089630285498 0.06315758388139 1.008 > 1 35 H 0.57255213709038 0.35089630285498 0.56315758388139 1.008 > 1 36 H 0.57255213709038 0.85089630285498 0.56315758388139 1.008 > 1 37 H 0.42744786290962 0.35089630285498 0.18684241611861 1.008 > 2 38 H 0.42744786290962 0.85089630285498 0.18684241611861 1.008 > 2 39 H 0.42744786290962 0.35089630285498 0.68684241611861 1.008 > 2 40 H 0.42744786290962 0.85089630285498 0.68684241611861 1.008 > 2 41 H 0.42744786290962 0.14910369714502 0.43684241611861 1.008 > 3 42 H 0.42744786290962 0.64910369714502 0.43684241611861 1.008 > 3 43 H 0.42744786290962 0.14910369714502 0.93684241611861 1.008 > 3 44 H 0.42744786290962 0.64910369714502 0.93684241611861 1.008 > 3 45 H 0.57255213709038 0.14910369714502 0.31315758388139 1.008 > 4 46 H 0.57255213709038 0.64910369714502 0.31315758388139 1.008 > 4 47 H 0.57255213709038 0.14910369714502 0.81315758388139 1.008 > 4 48 H 0.57255213709038 0.64910369714502 0.81315758388139 1.008 > 4 49 H 0.41886041453698 0.35076928563475 0.02479067353547 1.008 > 5 50 H 0.41886041453698 0.85076928563475 0.02479067353547 1.008 > 5 51 H 0.41886041453698 0.35076928563475 0.52479067353547 1.008 > 5 52 H 0.41886041453698 0.85076928563475 0.52479067353547 1.008 > 5 53 H 0.58113958546302 0.35076928563475 0.22520932646453 1.008 > 6 54 H 0.58113958546302 0.85076928563475 0.22520932646453 1.008 > 6 55 H 0.58113958546302 0.35076928563475 0.72520932646453 1.008 > 6 56 H 0.58113958546302 0.85076928563475 0.72520932646453 1.008 > 6 57 H 0.41886041453698 0.14923071436525 0.27479067353547 1.008 > 7 58 H 0.41886041453698 0.64923071436525 0.27479067353547 1.008 > 7 59 H 0.41886041453698 0.14923071436525 0.77479067353547 1.008 > 7 60 H 0.41886041453698 0.64923071436525 0.77479067353547 1.008 > 7 61 H 0.58113958546302 0.14923071436525 0.47520932646453 1.008 > 8 62 H 0.58113958546302 0.64923071436525 0.47520932646453 1.008 > 8 63 H 0.58113958546302 0.14923071436525 0.97520932646453 1.008 > 8 64 H 0.58113958546302 0.64923071436525 0.97520932646453 1.008 > 8 *65 O 0.00432886271702 0.13869570203311 0.22094073079678 15.999 > 9 66 O 0.00432886271702 0.63869570203311 0.22094073079678 15.999 > 9 67 O 0.00432886271702 0.13869570203311 0.72094073079678 15.999 > 9 68 O 0.00432886271702 0.63869570203311 0.72094073079678 15.999 > 9 69 O 0.99567113728298 0.13869570203311 0.02905926920322 15.999 > 10 70 O 0.99567113728298 0.63869570203311 0.02905926920322 15.999 > 10 71 O 0.99567113728298 0.13869570203311 0.52905926920322 15.999 > 10 72 O 0.99567113728298 0.63869570203311 0.52905926920322 15.999 > 10 73 O 0.99567113728298 0.36130429796689 0.27905926920322 15.999 > 11 74 O 0.99567113728298 0.86130429796689 0.27905926920322 15.999 > 11 75 O 0.99567113728298 0.36130429796689 0.77905926920322 15.999 > 11 76 O 0.99567113728298 0.86130429796689 0.77905926920322 15.999 > 11 77 O 0.00432886271702 0.36130429796689 0.47094073079678 15.999 > 12 78 O 0.00432886271702 0.86130429796689 0.47094073079678 15.999 > 12 79 O 0.00432886271702 0.36130429796689 0.97094073079678 15.999 > 12 80 O 0.00432886271702 0.86130429796689 0.97094073079678 15.999 > 12 81 O 0.50432886271702 0.38869570203311 0.22094073079678 15.999 > 9 82 O 0.50432886271702 0.88869570203311 0.22094073079678 15.999 > 9 83 O 0.50432886271702 0.38869570203311 0.72094073079678 15.999 > 9 84 O 0.50432886271702 0.88869570203311 0.72094073079678 15.999 > 9 85 O 0.49567113728298 0.38869570203311 0.02905926920322 15.999 > 10 86 O 0.49567113728298 0.88869570203311 0.02905926920322 15.999 > 10 87 O 0.49567113728298 0.38869570203311 0.52905926920322 15.999 > 10 88 O 0.49567113728298 0.88869570203311 0.52905926920322 15.999 > 10 89 O 0.49567113728298 0.11130429796689 0.27905926920322 15.999 > 11 90 O 0.49567113728298 0.61130429796689 0.27905926920322 15.999 > 11 91 O 0.49567113728298 0.11130429796689 0.77905926920322 15.999 > 11 92 O 0.49567113728298 0.61130429796689 0.77905926920322 15.999 > 11 93 O 0.50432886271702 0.11130429796689 0.47094073079678 15.999 > 12 94 O 0.50432886271702 0.61130429796689 0.47094073079678 15.999 > 12 95 O 0.50432886271702 0.11130429796689 0.97094073079678 15.999 > 12 96 O 0.50432886271702 0.61130429796689 0.97094073079678 15.999 > 12 *97 I 0.28863948887836 0.25811708865413 0.32417162505178 126.904 > 13 98 I 0.28863948887836 0.75811708865413 0.32417162505178 126.904 > 13 99 I 0.28863948887836 0.25811708865413 0.82417162505178 126.904 > 13 100 I 0.28863948887836 0.75811708865413 0.82417162505178 126.904 > 13 101 I 0.71136051112164 0.25811708865413 0.42582837494822 126.904 > 14 102 I 0.71136051112164 0.75811708865413 0.42582837494822 126.904 > 14 103 I 0.71136051112164 0.25811708865413 0.92582837494822 126.904 > 14 104 I 0.71136051112164 0.75811708865413 0.92582837494822 126.904 > 14 105 I 0.28863948887836 0.24188291134587 0.07417162505178 126.904 > 15 106 I 0.28863948887836 0.74188291134587 0.07417162505178 126.904 > 15 107 I 0.28863948887836 0.24188291134587 0.57417162505178 126.904 > 15 108 I 0.28863948887836 0.74188291134587 0.57417162505178 126.904 > 15 109 I 0.71136051112164 0.24188291134587 0.17582837494822 126.904 > 16 110 I 0.71136051112164 0.74188291134587 0.17582837494822 126.904 > 16 111 I 0.71136051112164 0.24188291134587 0.67582837494822 126.904 > 16 112 I 0.71136051112164 0.74188291134587 0.67582837494822 126.904 > 16 113 I 0.78863948887836 0.00811708865413 0.32417162505178 126.904 > 13 114 I 0.78863948887836 0.50811708865413 0.32417162505178 126.904 > 13 115 I 0.78863948887836 0.00811708865413 0.82417162505178 126.904 > 13 116 I 0.78863948887836 0.50811708865413 0.82417162505178 126.904 > 13 117 I 0.21136051112164 0.00811708865413 0.42582837494822 126.904 > 14 118 I 0.21136051112164 0.50811708865413 0.42582837494822 126.904 > 14 119 I 0.21136051112164 0.00811708865413 0.92582837494822 126.904 > 14 120 I 0.21136051112164 0.50811708865413 0.92582837494822 126.904 > 14 121 I 0.78863948887836 0.49188291134587 0.07417162505178 126.904 > 15 122 I 0.78863948887836 0.99188291134587 0.07417162505178 126.904 > 15 123 I 0.78863948887836 0.49188291134587 0.57417162505178 126.904 > 15 124 I 0.78863948887836 0.99188291134587 0.57417162505178 126.904 > 15 125 I 0.21136051112164 0.49188291134587 0.17582837494822 126.904 > 16 126 I 0.21136051112164 0.99188291134587 0.17582837494822 126.904 > 16 127 I 0.21136051112164 0.49188291134587 0.67582837494822 126.904 > 16 128 I 0.21136051112164 0.99188291134587 0.67582837494822 126.904 > 16 *129 Ba 0.00000000000000 0.20157153934620 0.37500000000000 137.327 > 17 130 Ba 0.00000000000000 0.70157153934620 0.37500000000000 137.327 > 17 131 Ba 0.00000000000000 0.20157153934620 0.87500000000000 137.327 > 17 132 Ba 0.00000000000000 0.70157153934620 0.87500000000000 137.327 > 17 133 Ba 0.00000000000000 0.29842846065380 0.12500000000000 137.327 > 18 134 Ba 0.00000000000000 0.79842846065380 0.12500000000000 137.327 > 18 135 Ba 0.00000000000000 0.29842846065380 0.62500000000000 137.327 > 18 136 Ba 0.00000000000000 0.79842846065380 0.62500000000000 137.327 > 18 137 Ba 0.50000000000000 0.45157153934620 0.37500000000000 137.327 > 17 138 Ba 0.50000000000000 0.95157153934620 0.37500000000000 137.327 > 17 139 Ba 0.50000000000000 0.45157153934620 0.87500000000000 137.327 > 17 140 Ba 0.50000000000000 0.95157153934620 0.87500000000000 137.327 > 17 141 Ba 0.50000000000000 0.04842846065380 0.12500000000000 137.327 > 18 142 Ba 0.50000000000000 0.54842846065380 0.12500000000000 137.327 > 18 143 Ba 0.50000000000000 0.04842846065380 0.62500000000000 137.327 > 18 144 Ba 0.50000000000000 0.54842846065380 0.62500000000000 137.327 > 18----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.8728702 0.0000000 0.0311325 0.0000000 3.8710814 0.0000000 0.0311285 0.0000000 3.8129754-------------------------- Born effective charges -------------------------- 1 H 0.5979555 -0.1168046 0.1922812 -0.1922678 0.6495066 -0.3701710 0.2801108 -0.3817418 0.7403972 2 H 0.5979555 0.1168046 0.1922812 0.1922678 0.6495066 0.3701710 0.2801108 0.3817418 0.7403972 3 H 0.5979555 -0.1168046 0.1922812 -0.1922678 0.6495066 -0.3701710 0.2801108 -0.3817418 0.7403972 4 H 0.5979555 0.1168046 0.1922812 0.1922678 0.6495066 0.3701710 0.2801108 0.3817418 0.7403972 5 H 0.8754515 0.3806093 -0.0738860 0.4144563 0.6502678 -0.1226835 -0.1539807 -0.1747605 0.4469403 6 H 0.8754515 -0.3806093 -0.0738860 -0.4144563 0.6502678 0.1226835 -0.1539807 0.1747605 0.4469403 7 H 0.8754515 -0.3806093 -0.0738860 -0.4144563 0.6502678 0.1226835 -0.1539807 0.1747605 0.4469403 8 H 0.8754515 0.3806093 -0.0738860 0.4144563 0.6502678 -0.1226835 -0.1539807 -0.1747605 0.4469403 9 O -1.6078292 0.1491313 -0.0915519 0.1056886 -1.4250889 -0.2021088 -0.0867225 -0.2940053 -1.4036647 10 O -1.6078292 -0.1491313 -0.0915519 -0.1056886 -1.4250889 0.2021088 -0.0867225 0.2940053 -1.4036647 11 O -1.6078292 0.1491313 -0.0915519 0.1056886 -1.4250889 -0.2021088 -0.0867225 -0.2940053 -1.4036647 12 O -1.6078292 -0.1491313 -0.0915519 -0.1056886 -1.4250889 0.2021088 -0.0867225 0.2940053 -1.4036647 13 I -1.2878756 -0.0107680 -0.0479171 -0.0291651 -1.2425566 0.0863967 -0.0533372 0.0842552 -1.1902894 14 I -1.2878756 0.0107680 -0.0479171 0.0291651 -1.2425566 -0.0863967 -0.0533372 -0.0842552 -1.1902894 15 I -1.2878756 0.0107680 -0.0479171 0.0291651 -1.2425566 -0.0863967 -0.0533372 -0.0842552 -1.1902894 16 I -1.2878756 -0.0107680 -0.0479171 -0.0291651 -1.2425566 0.0863967 -0.0533372 0.0842552 -1.1902894 17 Ba 2.8445954 0.0000000 0.0421474 0.0000000 2.7357424 0.0000000 0.0278590 0.0000000 2.8132333 18 Ba 2.8445954 0.0000000 0.0421474 0.0000000 2.7357424 0.0000000 0.0278590 0.0000000 2.8132333----------------------------------------------------------------------------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: 432/432Permutation basis: 13680/13680Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3026Number of blocks in projector: 3026Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 652Use submatrix version of eigh solver.(1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 652 / 652(1) 147 eigenvectors found.(1) Complementary block size: 14(1) Compute compressed projector.(1) Use standard solver.(1) 5 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 644Use submatrix version of eigh solver.(1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 492 eigenvectors found.(1) Block: 644 / 644(1) 140 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 4 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 644Use submatrix version of eigh solver.(1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 492 eigenvectors found.(1) Block: 644 / 644(1) 140 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 4 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 362Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 362Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 362Use standard eigh solver.Tree of FC basis block matrices:- (3026, 2986), data: False|-- (362, 357), data: True|-- (362, 357), data: True|-- (362, 357), data: True|-- (644, 636), data: False |-- (644, 4), data: (644, 12) @ (12, 4) |-- (144, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True|-- (644, 636), data: False |-- (644, 4), data: (644, 12) @ (12, 4) |-- (144, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True|-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 560 - Time: 1.063Solver_block: 200 / 560 - Time: 1.022Solver_block: 300 / 560 - Time: 1.017Solver_block: 400 / 560 - Time: 1.021Solver_block: 500 / 560 - Time: 1.019Solver_block: 560 / 560 - Time: 0.636Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.915--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432Permutation basis: 13680/13680Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3026Number of blocks in projector: 3026Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 652Use submatrix version of eigh solver.(1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 652 / 652(1) 147 eigenvectors found.(1) Complementary block size: 14(1) Compute compressed projector.(1) Use standard solver.(1) 5 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 644Use submatrix version of eigh solver.(1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 492 eigenvectors found.(1) Block: 644 / 644(1) 140 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 4 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 644Use submatrix version of eigh solver.(1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 492 eigenvectors found.(1) Block: 644 / 644(1) 140 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 4 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 362Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 362Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 362Use standard eigh solver.Tree of FC basis block matrices:- (3026, 2986), data: False|-- (362, 357), data: True|-- (362, 357), data: True|-- (362, 357), data: True|-- (644, 636), data: False |-- (644, 4), data: (644, 12) @ (12, 4) |-- (144, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True|-- (644, 636), data: False |-- (644, 4), data: (644, 12) @ (12, 4) |-- (144, 140), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True|-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: TrueMax 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 05:45:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:45:35]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.523519085202953 -3.706987405000000 0.000000000000000 b 5.523519085202953 3.706987405000000 0.000000000000000 c -3.278577138276731 0.000000000000000 7.862626615673366Atomic positions (fractional): 1 H 0.87075953138041 0.27434474280035 0.12631516776277 1.008 2 H 0.72565525719965 0.12924046861959 0.37368483223723 1.008 3 H 0.12924046861959 0.72565525719965 0.87368483223723 1.008 4 H 0.27434474280035 0.87075953138041 0.62631516776277 1.008 5 H 0.71732184326748 0.12039898580648 0.04958134707094 1.008 6 H 0.87960101419352 0.28267815673252 0.45041865292906 1.008 7 H 0.12039898580648 0.71732184326748 0.54958134707094 1.008 8 H 0.28267815673252 0.87960101419352 0.95041865292906 1.008 9 O 0.72693745865080 0.28172026678325 0.44188146159357 15.999 10 O 0.71827973321675 0.27306254134920 0.05811853840643 15.999 11 O 0.27306254134920 0.71827973321675 0.55811853840643 15.999 12 O 0.28172026678325 0.72693745865080 0.94188146159357 15.999 13 I 0.77240531157010 0.80487366618663 0.64834325010356 126.904 14 I 0.19512633381337 0.22759468842990 0.85165674989644 126.904 15 I 0.80487366618663 0.77240531157010 0.14834325010356 126.904 16 I 0.22759468842990 0.19512633381337 0.35165674989644 126.904 17 Ba 0.59685692130759 0.40314307869241 0.75000000000000 137.327 18 Ba 0.40314307869241 0.59685692130759 0.25000000000000 137.327-------------------------------- supercell ---------------------------------Lattice vectors: a 11.047038170405907 0.000000000000000 0.000000000000000 b 0.000000000000000 14.827949620000000 0.000000000000000 c -6.557154276553462 0.000000000000000 15.725253231346732Atomic positions (fractional): 1 H 0.07255213709038 0.10089630285498 0.06315758388139 1.008 > 1 2 H 0.07255213709038 0.60089630285498 0.06315758388139 1.008 > 1 3 H 0.07255213709038 0.10089630285498 0.56315758388139 1.008 > 1 4 H 0.07255213709038 0.60089630285498 0.56315758388139 1.008 > 1 5 H 0.92744786290962 0.10089630285498 0.18684241611861 1.008 > 5 6 H 0.92744786290962 0.60089630285498 0.18684241611861 1.008 > 5 7 H 0.92744786290962 0.10089630285498 0.68684241611861 1.008 > 5 8 H 0.92744786290962 0.60089630285498 0.68684241611861 1.008 > 5 9 H 0.92744786290962 0.39910369714502 0.43684241611861 1.008 > 9 10 H 0.92744786290962 0.89910369714502 0.43684241611861 1.008 > 9 11 H 0.92744786290962 0.39910369714502 0.93684241611861 1.008 > 9 12 H 0.92744786290962 0.89910369714502 0.93684241611861 1.008 > 9 13 H 0.07255213709038 0.39910369714502 0.31315758388139 1.008 > 13 14 H 0.07255213709038 0.89910369714502 0.31315758388139 1.008 > 13 15 H 0.07255213709038 0.39910369714502 0.81315758388139 1.008 > 13 16 H 0.07255213709038 0.89910369714502 0.81315758388139 1.008 > 13 17 H 0.91886041453698 0.10076928563475 0.02479067353547 1.008 > 17 18 H 0.91886041453698 0.60076928563475 0.02479067353547 1.008 > 17 19 H 0.91886041453698 0.10076928563475 0.52479067353547 1.008 > 17 20 H 0.91886041453698 0.60076928563475 0.52479067353547 1.008 > 17 21 H 0.08113958546302 0.10076928563475 0.22520932646453 1.008 > 21 22 H 0.08113958546302 0.60076928563475 0.22520932646453 1.008 > 21 23 H 0.08113958546302 0.10076928563475 0.72520932646453 1.008 > 21 24 H 0.08113958546302 0.60076928563475 0.72520932646453 1.008 > 21 25 H 0.91886041453698 0.39923071436525 0.27479067353547 1.008 > 25 26 H 0.91886041453698 0.89923071436525 0.27479067353547 1.008 > 25 27 H 0.91886041453698 0.39923071436525 0.77479067353547 1.008 > 25 28 H 0.91886041453698 0.89923071436525 0.77479067353547 1.008 > 25 29 H 0.08113958546302 0.39923071436525 0.47520932646453 1.008 > 29 30 H 0.08113958546302 0.89923071436525 0.47520932646453 1.008 > 29 31 H 0.08113958546302 0.39923071436525 0.97520932646453 1.008 > 29 32 H 0.08113958546302 0.89923071436525 0.97520932646453 1.008 > 29 33 H 0.57255213709038 0.35089630285498 0.06315758388139 1.008 > 1 34 H 0.57255213709038 0.85089630285498 0.06315758388139 1.008 > 1 35 H 0.57255213709038 0.35089630285498 0.56315758388139 1.008 > 1 36 H 0.57255213709038 0.85089630285498 0.56315758388139 1.008 > 1 37 H 0.42744786290962 0.35089630285498 0.18684241611861 1.008 > 5 38 H 0.42744786290962 0.85089630285498 0.18684241611861 1.008 > 5 39 H 0.42744786290962 0.35089630285498 0.68684241611861 1.008 > 5 40 H 0.42744786290962 0.85089630285498 0.68684241611861 1.008 > 5 41 H 0.42744786290962 0.14910369714502 0.43684241611861 1.008 > 9 42 H 0.42744786290962 0.64910369714502 0.43684241611861 1.008 > 9 43 H 0.42744786290962 0.14910369714502 0.93684241611861 1.008 > 9 44 H 0.42744786290962 0.64910369714502 0.93684241611861 1.008 > 9 45 H 0.57255213709038 0.14910369714502 0.31315758388139 1.008 > 13 46 H 0.57255213709038 0.64910369714502 0.31315758388139 1.008 > 13 47 H 0.57255213709038 0.14910369714502 0.81315758388139 1.008 > 13 48 H 0.57255213709038 0.64910369714502 0.81315758388139 1.008 > 13 49 H 0.41886041453698 0.35076928563475 0.02479067353547 1.008 > 17 50 H 0.41886041453698 0.85076928563475 0.02479067353547 1.008 > 17 51 H 0.41886041453698 0.35076928563475 0.52479067353547 1.008 > 17 52 H 0.41886041453698 0.85076928563475 0.52479067353547 1.008 > 17 53 H 0.58113958546302 0.35076928563475 0.22520932646453 1.008 > 21 54 H 0.58113958546302 0.85076928563475 0.22520932646453 1.008 > 21 55 H 0.58113958546302 0.35076928563475 0.72520932646453 1.008 > 21 56 H 0.58113958546302 0.85076928563475 0.72520932646453 1.008 > 21 57 H 0.41886041453698 0.14923071436525 0.27479067353547 1.008 > 25 58 H 0.41886041453698 0.64923071436525 0.27479067353547 1.008 > 25 59 H 0.41886041453698 0.14923071436525 0.77479067353547 1.008 > 25 60 H 0.41886041453698 0.64923071436525 0.77479067353547 1.008 > 25 61 H 0.58113958546302 0.14923071436525 0.47520932646453 1.008 > 29 62 H 0.58113958546302 0.64923071436525 0.47520932646453 1.008 > 29 63 H 0.58113958546302 0.14923071436525 0.97520932646453 1.008 > 29 64 H 0.58113958546302 0.64923071436525 0.97520932646453 1.008 > 29 65 O 0.00432886271702 0.13869570203311 0.22094073079678 15.999 > 65 66 O 0.00432886271702 0.63869570203311 0.22094073079678 15.999 > 65 67 O 0.00432886271702 0.13869570203311 0.72094073079678 15.999 > 65 68 O 0.00432886271702 0.63869570203311 0.72094073079678 15.999 > 65 69 O 0.99567113728298 0.13869570203311 0.02905926920322 15.999 > 69 70 O 0.99567113728298 0.63869570203311 0.02905926920322 15.999 > 69 71 O 0.99567113728298 0.13869570203311 0.52905926920322 15.999 > 69 72 O 0.99567113728298 0.63869570203311 0.52905926920322 15.999 > 69 73 O 0.99567113728298 0.36130429796689 0.27905926920322 15.999 > 73 74 O 0.99567113728298 0.86130429796689 0.27905926920322 15.999 > 73 75 O 0.99567113728298 0.36130429796689 0.77905926920322 15.999 > 73 76 O 0.99567113728298 0.86130429796689 0.77905926920322 15.999 > 73 77 O 0.00432886271702 0.36130429796689 0.47094073079678 15.999 > 77 78 O 0.00432886271702 0.86130429796689 0.47094073079678 15.999 > 77 79 O 0.00432886271702 0.36130429796689 0.97094073079678 15.999 > 77 80 O 0.00432886271702 0.86130429796689 0.97094073079678 15.999 > 77 81 O 0.50432886271702 0.38869570203311 0.22094073079678 15.999 > 65 82 O 0.50432886271702 0.88869570203311 0.22094073079678 15.999 > 65 83 O 0.50432886271702 0.38869570203311 0.72094073079678 15.999 > 65 84 O 0.50432886271702 0.88869570203311 0.72094073079678 15.999 > 65 85 O 0.49567113728298 0.38869570203311 0.02905926920322 15.999 > 69 86 O 0.49567113728298 0.88869570203311 0.02905926920322 15.999 > 69 87 O 0.49567113728298 0.38869570203311 0.52905926920322 15.999 > 69 88 O 0.49567113728298 0.88869570203311 0.52905926920322 15.999 > 69 89 O 0.49567113728298 0.11130429796689 0.27905926920322 15.999 > 73 90 O 0.49567113728298 0.61130429796689 0.27905926920322 15.999 > 73 91 O 0.49567113728298 0.11130429796689 0.77905926920322 15.999 > 73 92 O 0.49567113728298 0.61130429796689 0.77905926920322 15.999 > 73 93 O 0.50432886271702 0.11130429796689 0.47094073079678 15.999 > 77 94 O 0.50432886271702 0.61130429796689 0.47094073079678 15.999 > 77 95 O 0.50432886271702 0.11130429796689 0.97094073079678 15.999 > 77 96 O 0.50432886271702 0.61130429796689 0.97094073079678 15.999 > 77 97 I 0.28863948887836 0.25811708865413 0.32417162505178 126.904 > 97 98 I 0.28863948887836 0.75811708865413 0.32417162505178 126.904 > 97 99 I 0.28863948887836 0.25811708865413 0.82417162505178 126.904 > 97 100 I 0.28863948887836 0.75811708865413 0.82417162505178 126.904 > 97 101 I 0.71136051112164 0.25811708865413 0.42582837494822 126.904 > 101 102 I 0.71136051112164 0.75811708865413 0.42582837494822 126.904 > 101 103 I 0.71136051112164 0.25811708865413 0.92582837494822 126.904 > 101 104 I 0.71136051112164 0.75811708865413 0.92582837494822 126.904 > 101 105 I 0.28863948887836 0.24188291134587 0.07417162505178 126.904 > 105 106 I 0.28863948887836 0.74188291134587 0.07417162505178 126.904 > 105 107 I 0.28863948887836 0.24188291134587 0.57417162505178 126.904 > 105 108 I 0.28863948887836 0.74188291134587 0.57417162505178 126.904 > 105 109 I 0.71136051112164 0.24188291134587 0.17582837494822 126.904 > 109 110 I 0.71136051112164 0.74188291134587 0.17582837494822 126.904 > 109 111 I 0.71136051112164 0.24188291134587 0.67582837494822 126.904 > 109 112 I 0.71136051112164 0.74188291134587 0.67582837494822 126.904 > 109 113 I 0.78863948887836 0.00811708865413 0.32417162505178 126.904 > 97 114 I 0.78863948887836 0.50811708865413 0.32417162505178 126.904 > 97 115 I 0.78863948887836 0.00811708865413 0.82417162505178 126.904 > 97 116 I 0.78863948887836 0.50811708865413 0.82417162505178 126.904 > 97 117 I 0.21136051112164 0.00811708865413 0.42582837494822 126.904 > 101 118 I 0.21136051112164 0.50811708865413 0.42582837494822 126.904 > 101 119 I 0.21136051112164 0.00811708865413 0.92582837494822 126.904 > 101 120 I 0.21136051112164 0.50811708865413 0.92582837494822 126.904 > 101 121 I 0.78863948887836 0.49188291134587 0.07417162505178 126.904 > 105 122 I 0.78863948887836 0.99188291134587 0.07417162505178 126.904 > 105 123 I 0.78863948887836 0.49188291134587 0.57417162505178 126.904 > 105 124 I 0.78863948887836 0.99188291134587 0.57417162505178 126.904 > 105 125 I 0.21136051112164 0.49188291134587 0.17582837494822 126.904 > 109 126 I 0.21136051112164 0.99188291134587 0.17582837494822 126.904 > 109 127 I 0.21136051112164 0.49188291134587 0.67582837494822 126.904 > 109 128 I 0.21136051112164 0.99188291134587 0.67582837494822 126.904 > 109 129 Ba 0.00000000000000 0.20157153934620 0.37500000000000 137.327 > 129 130 Ba 0.00000000000000 0.70157153934620 0.37500000000000 137.327 > 129 131 Ba 0.00000000000000 0.20157153934620 0.87500000000000 137.327 > 129 132 Ba 0.00000000000000 0.70157153934620 0.87500000000000 137.327 > 129 133 Ba 0.00000000000000 0.29842846065380 0.12500000000000 137.327 > 133 134 Ba 0.00000000000000 0.79842846065380 0.12500000000000 137.327 > 133 135 Ba 0.00000000000000 0.29842846065380 0.62500000000000 137.327 > 133 136 Ba 0.00000000000000 0.79842846065380 0.62500000000000 137.327 > 133 137 Ba 0.50000000000000 0.45157153934620 0.37500000000000 137.327 > 129 138 Ba 0.50000000000000 0.95157153934620 0.37500000000000 137.327 > 129 139 Ba 0.50000000000000 0.45157153934620 0.87500000000000 137.327 > 129 140 Ba 0.50000000000000 0.95157153934620 0.87500000000000 137.327 > 129 141 Ba 0.50000000000000 0.04842846065380 0.12500000000000 137.327 > 133 142 Ba 0.50000000000000 0.54842846065380 0.12500000000000 137.327 > 133 143 Ba 0.50000000000000 0.04842846065380 0.62500000000000 137.327 > 133 144 Ba 0.50000000000000 0.54842846065380 0.62500000000000 137.327 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.8728702 0.0000000 0.0311325 0.0000000 3.8710814 0.0000000 0.0311285 0.0000000 3.8129754-------------------------- Born effective charges -------------------------- 1 H 0.5979555 -0.1168046 0.1922812 -0.1922678 0.6495066 -0.3701710 0.2801108 -0.3817418 0.7403972 2 H 0.5979555 0.1168046 0.1922812 0.1922678 0.6495066 0.3701710 0.2801108 0.3817418 0.7403972 3 H 0.5979555 -0.1168046 0.1922812 -0.1922678 0.6495066 -0.3701710 0.2801108 -0.3817418 0.7403972 4 H 0.5979555 0.1168046 0.1922812 0.1922678 0.6495066 0.3701710 0.2801108 0.3817418 0.7403972 5 H 0.8754515 0.3806093 -0.0738860 0.4144563 0.6502678 -0.1226835 -0.1539807 -0.1747605 0.4469403 6 H 0.8754515 -0.3806093 -0.0738860 -0.4144563 0.6502678 0.1226835 -0.1539807 0.1747605 0.4469403 7 H 0.8754515 -0.3806093 -0.0738860 -0.4144563 0.6502678 0.1226835 -0.1539807 0.1747605 0.4469403 8 H 0.8754515 0.3806093 -0.0738860 0.4144563 0.6502678 -0.1226835 -0.1539807 -0.1747605 0.4469403 9 O -1.6078292 0.1491313 -0.0915519 0.1056886 -1.4250889 -0.2021088 -0.0867225 -0.2940053 -1.4036647 10 O -1.6078292 -0.1491313 -0.0915519 -0.1056886 -1.4250889 0.2021088 -0.0867225 0.2940053 -1.4036647 11 O -1.6078292 0.1491313 -0.0915519 0.1056886 -1.4250889 -0.2021088 -0.0867225 -0.2940053 -1.4036647 12 O -1.6078292 -0.1491313 -0.0915519 -0.1056886 -1.4250889 0.2021088 -0.0867225 0.2940053 -1.4036647 13 I -1.2878756 -0.0107680 -0.0479171 -0.0291651 -1.2425566 0.0863967 -0.0533372 0.0842552 -1.1902894 14 I -1.2878756 0.0107680 -0.0479171 0.0291651 -1.2425566 -0.0863967 -0.0533372 -0.0842552 -1.1902894 15 I -1.2878756 0.0107680 -0.0479171 0.0291651 -1.2425566 -0.0863967 -0.0533372 -0.0842552 -1.1902894 16 I -1.2878756 -0.0107680 -0.0479171 -0.0291651 -1.2425566 0.0863967 -0.0533372 0.0842552 -1.1902894 17 Ba 2.8445954 0.0000000 0.0421474 0.0000000 2.7357424 0.0000000 0.0278590 0.0000000 2.8132333 18 Ba 2.8445954 0.0000000 0.0421474 0.0000000 2.7357424 0.0000000 0.0278590 0.0000000 2.8132333----------------------------------------------------------------------------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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092]Computing fc3[ 129, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000003 (xxy) 0.00000003 (xxy) 0.00000003 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:46:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:46:02]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.523519085202953 -3.706987405000000 0.000000000000000 b 5.523519085202953 3.706987405000000 0.000000000000000 c -3.278577138276731 0.000000000000000 7.862626615673366Atomic positions (fractional): 1 H 0.87075953138041 0.27434474280035 0.12631516776277 1.008 2 H 0.72565525719965 0.12924046861959 0.37368483223723 1.008 3 H 0.12924046861959 0.72565525719965 0.87368483223723 1.008 4 H 0.27434474280035 0.87075953138041 0.62631516776277 1.008 5 H 0.71732184326748 0.12039898580648 0.04958134707094 1.008 6 H 0.87960101419352 0.28267815673252 0.45041865292906 1.008 7 H 0.12039898580648 0.71732184326748 0.54958134707094 1.008 8 H 0.28267815673252 0.87960101419352 0.95041865292906 1.008 9 O 0.72693745865080 0.28172026678325 0.44188146159357 15.999 10 O 0.71827973321675 0.27306254134920 0.05811853840643 15.999 11 O 0.27306254134920 0.71827973321675 0.55811853840643 15.999 12 O 0.28172026678325 0.72693745865080 0.94188146159357 15.999 13 I 0.77240531157010 0.80487366618663 0.64834325010356 126.904 14 I 0.19512633381337 0.22759468842990 0.85165674989644 126.904 15 I 0.80487366618663 0.77240531157010 0.14834325010356 126.904 16 I 0.22759468842990 0.19512633381337 0.35165674989644 126.904 17 Ba 0.59685692130759 0.40314307869241 0.75000000000000 137.327 18 Ba 0.40314307869241 0.59685692130759 0.25000000000000 137.327-------------------------------- supercell ---------------------------------Lattice vectors: a 11.047038170405907 0.000000000000000 0.000000000000000 b 0.000000000000000 14.827949620000000 0.000000000000000 c -6.557154276553462 0.000000000000000 15.725253231346732Atomic positions (fractional): 1 H 0.07255213709038 0.10089630285498 0.06315758388139 1.008 > 1 2 H 0.07255213709038 0.60089630285498 0.06315758388139 1.008 > 1 3 H 0.07255213709038 0.10089630285498 0.56315758388139 1.008 > 1 4 H 0.07255213709038 0.60089630285498 0.56315758388139 1.008 > 1 5 H 0.92744786290962 0.10089630285498 0.18684241611861 1.008 > 5 6 H 0.92744786290962 0.60089630285498 0.18684241611861 1.008 > 5 7 H 0.92744786290962 0.10089630285498 0.68684241611861 1.008 > 5 8 H 0.92744786290962 0.60089630285498 0.68684241611861 1.008 > 5 9 H 0.92744786290962 0.39910369714502 0.43684241611861 1.008 > 9 10 H 0.92744786290962 0.89910369714502 0.43684241611861 1.008 > 9 11 H 0.92744786290962 0.39910369714502 0.93684241611861 1.008 > 9 12 H 0.92744786290962 0.89910369714502 0.93684241611861 1.008 > 9 13 H 0.07255213709038 0.39910369714502 0.31315758388139 1.008 > 13 14 H 0.07255213709038 0.89910369714502 0.31315758388139 1.008 > 13 15 H 0.07255213709038 0.39910369714502 0.81315758388139 1.008 > 13 16 H 0.07255213709038 0.89910369714502 0.81315758388139 1.008 > 13 17 H 0.91886041453698 0.10076928563475 0.02479067353547 1.008 > 17 18 H 0.91886041453698 0.60076928563475 0.02479067353547 1.008 > 17 19 H 0.91886041453698 0.10076928563475 0.52479067353547 1.008 > 17 20 H 0.91886041453698 0.60076928563475 0.52479067353547 1.008 > 17 21 H 0.08113958546302 0.10076928563475 0.22520932646453 1.008 > 21 22 H 0.08113958546302 0.60076928563475 0.22520932646453 1.008 > 21 23 H 0.08113958546302 0.10076928563475 0.72520932646453 1.008 > 21 24 H 0.08113958546302 0.60076928563475 0.72520932646453 1.008 > 21 25 H 0.91886041453698 0.39923071436525 0.27479067353547 1.008 > 25 26 H 0.91886041453698 0.89923071436525 0.27479067353547 1.008 > 25 27 H 0.91886041453698 0.39923071436525 0.77479067353547 1.008 > 25 28 H 0.91886041453698 0.89923071436525 0.77479067353547 1.008 > 25 29 H 0.08113958546302 0.39923071436525 0.47520932646453 1.008 > 29 30 H 0.08113958546302 0.89923071436525 0.47520932646453 1.008 > 29 31 H 0.08113958546302 0.39923071436525 0.97520932646453 1.008 > 29 32 H 0.08113958546302 0.89923071436525 0.97520932646453 1.008 > 29 33 H 0.57255213709038 0.35089630285498 0.06315758388139 1.008 > 1 34 H 0.57255213709038 0.85089630285498 0.06315758388139 1.008 > 1 35 H 0.57255213709038 0.35089630285498 0.56315758388139 1.008 > 1 36 H 0.57255213709038 0.85089630285498 0.56315758388139 1.008 > 1 37 H 0.42744786290962 0.35089630285498 0.18684241611861 1.008 > 5 38 H 0.42744786290962 0.85089630285498 0.18684241611861 1.008 > 5 39 H 0.42744786290962 0.35089630285498 0.68684241611861 1.008 > 5 40 H 0.42744786290962 0.85089630285498 0.68684241611861 1.008 > 5 41 H 0.42744786290962 0.14910369714502 0.43684241611861 1.008 > 9 42 H 0.42744786290962 0.64910369714502 0.43684241611861 1.008 > 9 43 H 0.42744786290962 0.14910369714502 0.93684241611861 1.008 > 9 44 H 0.42744786290962 0.64910369714502 0.93684241611861 1.008 > 9 45 H 0.57255213709038 0.14910369714502 0.31315758388139 1.008 > 13 46 H 0.57255213709038 0.64910369714502 0.31315758388139 1.008 > 13 47 H 0.57255213709038 0.14910369714502 0.81315758388139 1.008 > 13 48 H 0.57255213709038 0.64910369714502 0.81315758388139 1.008 > 13 49 H 0.41886041453698 0.35076928563475 0.02479067353547 1.008 > 17 50 H 0.41886041453698 0.85076928563475 0.02479067353547 1.008 > 17 51 H 0.41886041453698 0.35076928563475 0.52479067353547 1.008 > 17 52 H 0.41886041453698 0.85076928563475 0.52479067353547 1.008 > 17 53 H 0.58113958546302 0.35076928563475 0.22520932646453 1.008 > 21 54 H 0.58113958546302 0.85076928563475 0.22520932646453 1.008 > 21 55 H 0.58113958546302 0.35076928563475 0.72520932646453 1.008 > 21 56 H 0.58113958546302 0.85076928563475 0.72520932646453 1.008 > 21 57 H 0.41886041453698 0.14923071436525 0.27479067353547 1.008 > 25 58 H 0.41886041453698 0.64923071436525 0.27479067353547 1.008 > 25 59 H 0.41886041453698 0.14923071436525 0.77479067353547 1.008 > 25 60 H 0.41886041453698 0.64923071436525 0.77479067353547 1.008 > 25 61 H 0.58113958546302 0.14923071436525 0.47520932646453 1.008 > 29 62 H 0.58113958546302 0.64923071436525 0.47520932646453 1.008 > 29 63 H 0.58113958546302 0.14923071436525 0.97520932646453 1.008 > 29 64 H 0.58113958546302 0.64923071436525 0.97520932646453 1.008 > 29 65 O 0.00432886271702 0.13869570203311 0.22094073079678 15.999 > 65 66 O 0.00432886271702 0.63869570203311 0.22094073079678 15.999 > 65 67 O 0.00432886271702 0.13869570203311 0.72094073079678 15.999 > 65 68 O 0.00432886271702 0.63869570203311 0.72094073079678 15.999 > 65 69 O 0.99567113728298 0.13869570203311 0.02905926920322 15.999 > 69 70 O 0.99567113728298 0.63869570203311 0.02905926920322 15.999 > 69 71 O 0.99567113728298 0.13869570203311 0.52905926920322 15.999 > 69 72 O 0.99567113728298 0.63869570203311 0.52905926920322 15.999 > 69 73 O 0.99567113728298 0.36130429796689 0.27905926920322 15.999 > 73 74 O 0.99567113728298 0.86130429796689 0.27905926920322 15.999 > 73 75 O 0.99567113728298 0.36130429796689 0.77905926920322 15.999 > 73 76 O 0.99567113728298 0.86130429796689 0.77905926920322 15.999 > 73 77 O 0.00432886271702 0.36130429796689 0.47094073079678 15.999 > 77 78 O 0.00432886271702 0.86130429796689 0.47094073079678 15.999 > 77 79 O 0.00432886271702 0.36130429796689 0.97094073079678 15.999 > 77 80 O 0.00432886271702 0.86130429796689 0.97094073079678 15.999 > 77 81 O 0.50432886271702 0.38869570203311 0.22094073079678 15.999 > 65 82 O 0.50432886271702 0.88869570203311 0.22094073079678 15.999 > 65 83 O 0.50432886271702 0.38869570203311 0.72094073079678 15.999 > 65 84 O 0.50432886271702 0.88869570203311 0.72094073079678 15.999 > 65 85 O 0.49567113728298 0.38869570203311 0.02905926920322 15.999 > 69 86 O 0.49567113728298 0.88869570203311 0.02905926920322 15.999 > 69 87 O 0.49567113728298 0.38869570203311 0.52905926920322 15.999 > 69 88 O 0.49567113728298 0.88869570203311 0.52905926920322 15.999 > 69 89 O 0.49567113728298 0.11130429796689 0.27905926920322 15.999 > 73 90 O 0.49567113728298 0.61130429796689 0.27905926920322 15.999 > 73 91 O 0.49567113728298 0.11130429796689 0.77905926920322 15.999 > 73 92 O 0.49567113728298 0.61130429796689 0.77905926920322 15.999 > 73 93 O 0.50432886271702 0.11130429796689 0.47094073079678 15.999 > 77 94 O 0.50432886271702 0.61130429796689 0.47094073079678 15.999 > 77 95 O 0.50432886271702 0.11130429796689 0.97094073079678 15.999 > 77 96 O 0.50432886271702 0.61130429796689 0.97094073079678 15.999 > 77 97 I 0.28863948887836 0.25811708865413 0.32417162505178 126.904 > 97 98 I 0.28863948887836 0.75811708865413 0.32417162505178 126.904 > 97 99 I 0.28863948887836 0.25811708865413 0.82417162505178 126.904 > 97 100 I 0.28863948887836 0.75811708865413 0.82417162505178 126.904 > 97 101 I 0.71136051112164 0.25811708865413 0.42582837494822 126.904 > 101 102 I 0.71136051112164 0.75811708865413 0.42582837494822 126.904 > 101 103 I 0.71136051112164 0.25811708865413 0.92582837494822 126.904 > 101 104 I 0.71136051112164 0.75811708865413 0.92582837494822 126.904 > 101 105 I 0.28863948887836 0.24188291134587 0.07417162505178 126.904 > 105 106 I 0.28863948887836 0.74188291134587 0.07417162505178 126.904 > 105 107 I 0.28863948887836 0.24188291134587 0.57417162505178 126.904 > 105 108 I 0.28863948887836 0.74188291134587 0.57417162505178 126.904 > 105 109 I 0.71136051112164 0.24188291134587 0.17582837494822 126.904 > 109 110 I 0.71136051112164 0.74188291134587 0.17582837494822 126.904 > 109 111 I 0.71136051112164 0.24188291134587 0.67582837494822 126.904 > 109 112 I 0.71136051112164 0.74188291134587 0.67582837494822 126.904 > 109 113 I 0.78863948887836 0.00811708865413 0.32417162505178 126.904 > 97 114 I 0.78863948887836 0.50811708865413 0.32417162505178 126.904 > 97 115 I 0.78863948887836 0.00811708865413 0.82417162505178 126.904 > 97 116 I 0.78863948887836 0.50811708865413 0.82417162505178 126.904 > 97 117 I 0.21136051112164 0.00811708865413 0.42582837494822 126.904 > 101 118 I 0.21136051112164 0.50811708865413 0.42582837494822 126.904 > 101 119 I 0.21136051112164 0.00811708865413 0.92582837494822 126.904 > 101 120 I 0.21136051112164 0.50811708865413 0.92582837494822 126.904 > 101 121 I 0.78863948887836 0.49188291134587 0.07417162505178 126.904 > 105 122 I 0.78863948887836 0.99188291134587 0.07417162505178 126.904 > 105 123 I 0.78863948887836 0.49188291134587 0.57417162505178 126.904 > 105 124 I 0.78863948887836 0.99188291134587 0.57417162505178 126.904 > 105 125 I 0.21136051112164 0.49188291134587 0.17582837494822 126.904 > 109 126 I 0.21136051112164 0.99188291134587 0.17582837494822 126.904 > 109 127 I 0.21136051112164 0.49188291134587 0.67582837494822 126.904 > 109 128 I 0.21136051112164 0.99188291134587 0.67582837494822 126.904 > 109 129 Ba 0.00000000000000 0.20157153934620 0.37500000000000 137.327 > 129 130 Ba 0.00000000000000 0.70157153934620 0.37500000000000 137.327 > 129 131 Ba 0.00000000000000 0.20157153934620 0.87500000000000 137.327 > 129 132 Ba 0.00000000000000 0.70157153934620 0.87500000000000 137.327 > 129 133 Ba 0.00000000000000 0.29842846065380 0.12500000000000 137.327 > 133 134 Ba 0.00000000000000 0.79842846065380 0.12500000000000 137.327 > 133 135 Ba 0.00000000000000 0.29842846065380 0.62500000000000 137.327 > 133 136 Ba 0.00000000000000 0.79842846065380 0.62500000000000 137.327 > 133 137 Ba 0.50000000000000 0.45157153934620 0.37500000000000 137.327 > 129 138 Ba 0.50000000000000 0.95157153934620 0.37500000000000 137.327 > 129 139 Ba 0.50000000000000 0.45157153934620 0.87500000000000 137.327 > 129 140 Ba 0.50000000000000 0.95157153934620 0.87500000000000 137.327 > 129 141 Ba 0.50000000000000 0.04842846065380 0.12500000000000 137.327 > 133 142 Ba 0.50000000000000 0.54842846065380 0.12500000000000 137.327 > 133 143 Ba 0.50000000000000 0.04842846065380 0.62500000000000 137.327 > 133 144 Ba 0.50000000000000 0.54842846065380 0.62500000000000 137.327 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.8728702 0.0000000 0.0311325 0.0000000 3.8710814 0.0000000 0.0311285 0.0000000 3.8129754-------------------------- Born effective charges -------------------------- 1 H 0.5979555 -0.1168046 0.1922812 -0.1922678 0.6495066 -0.3701710 0.2801108 -0.3817418 0.7403972 2 H 0.5979555 0.1168046 0.1922812 0.1922678 0.6495066 0.3701710 0.2801108 0.3817418 0.7403972 3 H 0.5979555 -0.1168046 0.1922812 -0.1922678 0.6495066 -0.3701710 0.2801108 -0.3817418 0.7403972 4 H 0.5979555 0.1168046 0.1922812 0.1922678 0.6495066 0.3701710 0.2801108 0.3817418 0.7403972 5 H 0.8754515 0.3806093 -0.0738860 0.4144563 0.6502678 -0.1226835 -0.1539807 -0.1747605 0.4469403 6 H 0.8754515 -0.3806093 -0.0738860 -0.4144563 0.6502678 0.1226835 -0.1539807 0.1747605 0.4469403 7 H 0.8754515 -0.3806093 -0.0738860 -0.4144563 0.6502678 0.1226835 -0.1539807 0.1747605 0.4469403 8 H 0.8754515 0.3806093 -0.0738860 0.4144563 0.6502678 -0.1226835 -0.1539807 -0.1747605 0.4469403 9 O -1.6078292 0.1491313 -0.0915519 0.1056886 -1.4250889 -0.2021088 -0.0867225 -0.2940053 -1.4036647 10 O -1.6078292 -0.1491313 -0.0915519 -0.1056886 -1.4250889 0.2021088 -0.0867225 0.2940053 -1.4036647 11 O -1.6078292 0.1491313 -0.0915519 0.1056886 -1.4250889 -0.2021088 -0.0867225 -0.2940053 -1.4036647 12 O -1.6078292 -0.1491313 -0.0915519 -0.1056886 -1.4250889 0.2021088 -0.0867225 0.2940053 -1.4036647 13 I -1.2878756 -0.0107680 -0.0479171 -0.0291651 -1.2425566 0.0863967 -0.0533372 0.0842552 -1.1902894 14 I -1.2878756 0.0107680 -0.0479171 0.0291651 -1.2425566 -0.0863967 -0.0533372 -0.0842552 -1.1902894 15 I -1.2878756 0.0107680 -0.0479171 0.0291651 -1.2425566 -0.0863967 -0.0533372 -0.0842552 -1.1902894 16 I -1.2878756 -0.0107680 -0.0479171 -0.0291651 -1.2425566 0.0863967 -0.0533372 0.0842552 -1.1902894 17 Ba 2.8445954 0.0000000 0.0421474 0.0000000 2.7357424 0.0000000 0.0278590 0.0000000 2.8132333 18 Ba 2.8445954 0.0000000 0.0421474 0.0000000 2.7357424 0.0000000 0.0278590 0.0000000 2.8132333----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000003 (xxy) 0.00000003 (xxy) 0.00000003 (xyx)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 8 6 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 295, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/114) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.181 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.715 ( 0.000 0.000 0.000) 0.000 14.168 ( 0.000 0.000 0.000) 0.000 17.259 ( 0.000 0.000 0.000) 0.000 17.416 ( 0.000 0.000 0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 18.914 ( 0.000 0.000 0.000) 0.000 19.072 ( 0.000 0.000 0.000) 0.000 19.111 ( 0.000 0.000 0.000) 0.000 21.067 ( 0.000 0.000 0.000) 0.000 21.137 ( 0.000 0.000 0.000) 0.000 45.202 ( 0.000 0.000 0.000) 0.000 45.420 ( 0.000 0.000 0.000) 0.000 45.468 ( 0.000 0.000 0.000) 0.000 45.502 ( 0.000 0.000 0.000) 0.000 98.837 ( 0.000 0.000 0.000) 0.000 98.917 ( 0.000 0.000 0.000) 0.000 99.370 ( 0.000 0.000 0.000) 0.000 99.383 ( 0.000 0.000 0.000) 0.000 99.619 ( 0.000 0.000 0.000) 0.000 99.676 ( 0.000 0.000 0.000) 0.000 100.191 ( 0.000 0.000 0.000) 0.000 100.241 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/114) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.313 ( 4.208 -14.878 2.282) 15.629 0.326 ( 7.329 -13.096 2.691) 15.247 0.616 ( 18.767 -20.830 8.448) 29.282 1.190 ( 0.652 -0.213 0.024) 0.686 1.293 ( 3.024 -2.165 -0.419) 3.742 1.577 ( -1.953 2.018 -0.767) 2.911 1.658 ( 1.308 0.502 -0.545) 1.504 1.701 ( 2.059 -1.588 0.698) 2.692 1.786 ( 1.719 6.008 -0.698) 6.288 1.811 ( 1.726 1.560 -1.120) 2.583 1.990 ( -2.026 2.847 -1.575) 3.833 2.059 ( -1.919 0.113 -0.874) 2.112 2.123 ( 3.918 1.674 -0.420) 4.281 2.210 ( 0.092 -1.658 1.309) 2.115 2.225 ( 0.640 2.256 0.989) 2.545 2.350 ( 7.410 0.116 2.834) 7.934 2.660 ( -1.395 -0.521 2.739) 3.117 3.121 ( -7.909 -2.189 -4.725) 9.469 4.829 ( -0.283 -0.283 0.455) 0.607 4.884 ( -0.283 0.254 0.448) 0.587 5.277 ( -0.751 -0.558 0.588) 1.105 5.365 ( -2.484 0.605 -1.012) 2.750 5.417 ( -0.440 -0.170 0.238) 0.528 5.583 ( 1.741 2.264 0.862) 2.983 5.676 ( 1.018 -0.810 0.163) 1.311 6.082 ( -5.728 -2.581 -2.675) 6.829 7.004 ( -0.165 0.614 0.403) 0.752 7.170 ( 0.290 -0.449 -0.092) 0.542 7.698 ( 0.050 0.059 0.011) 0.078 7.790 ( 0.134 -0.343 -0.503) 0.624 12.876 ( -2.097 1.142 -0.182) 2.395 13.204 ( -8.198 0.570 -5.370) 9.817 13.688 ( 2.041 6.698 6.483) 9.543 14.300 ( 8.242 9.844 6.866) 14.560 17.252 ( 0.256 0.763 -0.140) 0.817 17.432 ( 0.137 -1.246 1.565) 2.005 18.214 ( 1.059 0.266 -2.140) 2.403 18.928 ( 1.204 -0.594 0.090) 1.346 19.044 ( 1.389 3.268 -0.877) 3.657 19.141 ( 0.880 0.246 -0.574) 1.079 21.081 ( 0.850 -0.684 0.782) 1.342 21.130 ( -2.158 0.167 1.073) 2.415 45.215 ( 0.099 -1.401 0.045) 1.405 45.407 ( -1.586 0.371 -0.242) 1.646 45.545 ( 4.631 -1.573 1.236) 5.045 45.839 ( -13.210 -14.232 -8.970) 21.390 98.843 ( 0.604 -0.420 -0.900) 1.162 98.914 ( -0.033 0.312 0.024) 0.314 99.372 ( -0.452 0.635 -0.754) 1.085 99.518 ( -3.635 -3.103 -1.645) 5.055 99.670 ( -0.536 0.296 0.121) 0.624 99.763 ( -13.928 -12.854 -7.170) 20.264 100.179 ( -0.083 0.801 -0.641) 1.030 100.776 ( 28.878 22.407 14.873) 39.461======================= Grid point 2 (3/114) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 3.896 -13.615 3.012) 14.478 0.620 ( 5.698 -11.618 1.006) 12.979 1.149 ( 10.630 -10.069 3.827) 15.134 1.211 ( 3.490 -4.451 1.135) 5.768 1.386 ( 3.764 -4.483 1.099) 5.956 1.505 ( -1.758 2.775 -3.076) 4.501 1.659 ( 2.532 1.090 -4.593) 5.357 1.678 ( -0.011 4.657 -0.197) 4.661 1.729 ( 0.269 0.729 1.315) 1.528 1.791 ( -0.207 0.981 -1.464) 1.775 1.980 ( 2.398 -1.100 1.816) 3.202 2.031 ( -3.155 -1.026 -0.363) 3.337 2.116 ( 2.489 2.326 -1.471) 3.711 2.215 ( 1.850 0.815 0.028) 2.022 2.255 ( 1.908 -1.060 1.359) 2.571 2.428 ( 4.912 0.328 1.404) 5.120 2.670 ( -2.321 -0.903 4.847) 5.449 3.005 ( -6.526 3.794 -4.598) 8.839 4.834 ( -0.133 -0.543 -0.068) 0.563 4.876 ( -0.418 0.383 0.563) 0.800 5.274 ( -2.716 -0.396 1.035) 2.934 5.309 ( -2.126 1.263 -1.124) 2.717 5.421 ( -0.069 -0.805 -0.223) 0.838 5.598 ( 2.185 -0.054 0.138) 2.190 5.678 ( 0.372 1.432 0.960) 1.764 6.042 ( -2.711 0.308 -1.270) 3.009 6.994 ( -0.205 0.603 0.806) 1.027 7.180 ( 0.248 -0.335 -0.314) 0.522 7.703 ( 0.237 -0.394 0.223) 0.511 7.790 ( 0.207 0.148 -0.940) 0.973 12.798 ( -5.328 2.963 -0.520) 6.118 13.065 ( -8.665 0.567 -4.790) 9.917 13.588 ( -1.391 9.229 7.207) 11.792 14.273 ( 1.856 1.676 0.575) 2.566 17.241 ( 0.332 0.842 0.089) 0.910 17.469 ( 0.235 -1.546 2.069) 2.593 18.212 ( 0.542 0.235 -0.593) 0.837 18.948 ( 0.725 0.030 0.255) 0.770 19.003 ( 1.422 2.665 -1.133) 3.226 19.137 ( -0.209 -0.138 -1.738) 1.756 21.095 ( -1.744 0.386 1.110) 2.103 21.120 ( 0.267 -0.993 1.565) 1.873 45.249 ( -0.345 -2.323 0.832) 2.491 45.377 ( -1.404 0.932 -0.110) 1.689 45.656 ( 6.971 -2.236 2.114) 7.620 45.893 ( -3.291 -6.907 -5.645) 9.508 98.856 ( 0.232 -0.828 -0.117) 0.867 98.907 ( 0.083 0.552 0.251) 0.612 99.351 ( -0.347 0.754 -0.960) 1.270 99.521 ( -1.208 -1.009 -0.440) 1.634 99.659 ( -0.382 0.374 0.091) 0.542 99.791 ( -5.164 -5.883 -2.922) 8.356 100.169 ( 0.259 -0.020 -0.386) 0.465 100.788 ( 12.123 9.837 6.076) 16.752======================= Grid point 3 (4/114) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 2.962 -7.407 0.302) 7.983 0.882 ( 3.259 -11.515 2.516) 12.229 1.188 ( 1.922 1.941 -0.417) 2.764 1.322 ( -0.361 0.604 -0.828) 1.087 1.413 ( -1.751 2.762 -1.475) 3.587 1.464 ( -0.509 2.573 -1.414) 2.980 1.632 ( 0.325 1.337 -3.297) 3.572 1.712 ( 0.732 -1.626 -0.107) 1.786 1.752 ( 0.602 0.295 0.824) 1.062 1.844 ( 6.909 -6.412 3.168) 9.944 2.020 ( -1.397 -3.393 0.640) 3.725 2.071 ( 3.514 -2.371 1.645) 4.547 2.138 ( 5.856 -1.791 0.554) 6.148 2.215 ( -0.697 -0.318 -1.541) 1.721 2.287 ( 2.140 1.045 0.981) 2.576 2.473 ( 3.241 -0.053 0.458) 3.273 2.671 ( -4.774 0.623 6.833) 8.359 2.806 ( -5.566 7.158 -7.289) 11.634 4.843 ( -0.011 -0.628 -0.218) 0.665 4.870 ( -0.211 0.180 0.544) 0.610 5.242 ( -2.686 -0.144 0.339) 2.711 5.282 ( -0.659 0.459 0.042) 0.804 5.437 ( 0.201 -0.891 -0.365) 0.984 5.590 ( -0.611 1.258 -2.479) 2.847 5.682 ( 1.786 0.527 2.743) 3.316 6.007 ( -1.197 0.602 -0.452) 1.414 6.988 ( -0.134 0.291 0.727) 0.794 7.184 ( 0.068 -0.090 -0.289) 0.310 7.715 ( 0.186 -0.496 0.236) 0.580 7.782 ( 0.205 0.496 -0.844) 1.000 12.683 ( -4.487 2.448 -0.692) 5.158 12.958 ( -5.921 0.457 -1.865) 6.225 13.448 ( -2.475 6.532 4.025) 8.061 14.288 ( 1.695 -0.597 -0.903) 2.011 17.234 ( 0.229 0.493 0.207) 0.581 17.502 ( 0.175 -0.998 1.402) 1.729 18.213 ( 0.312 0.092 -0.073) 0.333 18.946 ( 1.230 1.075 0.034) 1.633 18.975 ( -0.789 0.806 -0.613) 1.284 19.132 ( 0.322 -0.097 -1.360) 1.401 21.070 ( -1.667 0.322 0.882) 1.913 21.151 ( 0.739 -0.773 0.985) 1.454 45.287 ( -0.821 -2.384 0.844) 2.658 45.347 ( -0.160 1.414 -0.057) 1.424 45.776 ( 5.808 -1.450 2.446) 6.467 45.931 ( -1.540 -3.397 -4.174) 5.598 98.873 ( 0.034 -0.992 -0.057) 0.994 98.899 ( 0.194 0.780 0.440) 0.917 99.334 ( -0.121 0.396 -0.661) 0.780 99.521 ( -0.488 -0.315 -0.137) 0.596 99.651 ( -0.176 0.201 0.034) 0.269 99.812 ( -2.004 -2.505 -1.177) 3.417 100.182 ( 0.492 -0.838 0.047) 0.973 100.776 ( 4.858 5.005 2.171) 7.306======================= Grid point 4 (5/114) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 0.000 -0.000 0.000) 0.000 1.057 ( 0.000 -0.000 0.000) 0.000 1.139 ( 0.000 -0.000 0.000) 0.000 1.298 ( 0.000 -0.000 0.000) 0.000 1.373 ( 0.000 -0.000 0.000) 0.000 1.423 ( 0.000 -0.000 0.000) 0.000 1.613 ( 0.000 -0.000 0.000) 0.000 1.719 ( 0.000 -0.000 -0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 -0.000 0.000) 0.000 2.077 ( -0.000 -0.000 0.000) 0.000 2.140 ( 0.000 -0.000 -0.000) 0.000 2.159 ( -0.000 0.000 -0.000) 0.000 2.274 ( 0.000 0.000 -0.000) 0.000 2.358 ( 0.000 -0.000 0.000) 0.000 2.500 ( -0.000 -0.000 -0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 -0.000 -0.000) 0.000 4.849 ( 0.000 -0.000 0.000) 0.000 4.869 ( 0.000 -0.000 0.000) 0.000 5.230 ( 0.000 -0.000 0.000) 0.000 5.273 ( 0.000 -0.000 -0.000) 0.000 5.446 ( 0.000 -0.000 0.000) 0.000 5.563 ( 0.000 -0.000 0.000) 0.000 5.697 ( 0.000 -0.000 0.000) 0.000 5.993 ( 0.000 -0.000 0.000) 0.000 6.987 ( 0.000 -0.000 0.000) 0.000 7.184 ( 0.000 -0.000 0.000) 0.000 7.722 ( 0.000 -0.000 0.000) 0.000 7.776 ( 0.000 -0.000 0.000) 0.000 12.633 ( 0.000 -0.000 0.000) 0.000 12.911 ( 0.000 -0.000 0.000) 0.000 13.385 ( 0.000 -0.000 0.000) 0.000 14.304 ( 0.000 -0.000 0.000) 0.000 17.232 ( 0.000 -0.000 0.000) 0.000 17.515 ( 0.000 -0.000 0.000) 0.000 18.214 ( 0.000 -0.000 -0.000) 0.000 18.950 ( 0.000 -0.000 0.000) 0.000 18.954 ( 0.000 -0.000 0.000) 0.000 19.132 ( 0.000 -0.000 0.000) 0.000 21.060 ( 0.000 -0.000 0.000) 0.000 21.165 ( 0.000 -0.000 0.000) 0.000 45.311 ( 0.000 0.000 0.000) 0.000 45.328 ( 0.000 -0.000 0.000) 0.000 45.834 ( 0.000 -0.000 -0.000) 0.000 45.937 ( 0.000 -0.000 0.000) 0.000 98.888 ( 0.000 0.000 0.000) 0.000 98.889 ( 0.000 -0.000 -0.000) 0.000 99.328 ( 0.000 -0.000 0.000) 0.000 99.520 ( 0.000 -0.000 0.000) 0.000 99.648 ( 0.000 -0.000 0.000) 0.000 99.819 ( 0.000 -0.000 -0.000) 0.000 100.195 ( 0.000 -0.000 0.000) 0.000 100.764 ( 0.000 -0.000 0.000) 0.000======================= Grid point 10 (6/114) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.274 ( 11.915 -0.000 1.415) 11.999 0.360 ( 12.897 -0.000 8.915) 15.679 0.800 ( 28.625 -0.000 11.699) 30.924 1.212 ( 2.311 -0.000 0.808) 2.448 1.313 ( 5.015 -0.000 -1.890) 5.359 1.555 ( -2.203 0.000 -3.976) 4.546 1.693 ( 2.189 -0.000 -0.477) 2.240 1.732 ( 5.164 -0.000 1.462) 5.367 1.766 ( -1.847 0.000 -2.578) 3.171 1.894 ( -1.832 0.000 -2.463) 3.070 1.971 ( -2.946 0.000 -3.659) 4.698 2.095 ( 1.432 -0.000 0.662) 1.578 2.173 ( 2.625 -0.000 -1.190) 2.882 2.212 ( 0.715 -0.000 2.887) 2.974 2.278 ( 0.543 -0.000 0.428) 0.691 2.396 ( -0.477 0.000 1.642) 1.710 2.658 ( -0.863 0.000 2.123) 2.291 2.982 ( -1.005 0.000 -1.253) 1.606 4.825 ( -0.292 0.000 0.385) 0.483 4.886 ( -0.440 0.000 1.021) 1.112 5.266 ( -1.181 0.000 1.076) 1.597 5.339 ( -2.230 0.000 -1.322) 2.593 5.414 ( -0.735 0.000 1.194) 1.402 5.643 ( -0.742 0.000 -1.669) 1.827 5.644 ( 0.707 -0.000 1.345) 1.520 5.988 ( -0.308 0.000 -0.347) 0.464 7.009 ( -0.362 0.000 0.535) 0.646 7.172 ( 0.537 -0.000 0.056) 0.539 7.697 ( -0.186 0.000 -0.180) 0.259 7.787 ( 0.457 -0.000 -0.770) 0.896 12.860 ( -3.082 0.000 0.215) 3.090 13.070 ( -10.623 0.000 -5.629) 12.022 13.790 ( -0.844 0.000 7.329) 7.378 14.414 ( -16.700 0.000 -0.513) 16.708 17.263 ( 0.577 -0.000 -0.430) 0.719 17.436 ( 0.286 -0.000 3.332) 3.344 18.218 ( 1.492 -0.000 -3.407) 3.719 18.942 ( 1.496 -0.000 0.595) 1.609 19.086 ( 1.954 -0.000 -1.934) 2.749 19.142 ( -2.368 0.000 -3.422) 4.162 21.096 ( 1.763 -0.000 1.579) 2.367 21.107 ( -3.216 0.000 2.659) 4.173 45.213 ( 1.715 -0.000 -1.875) 2.541 45.348 ( -2.141 0.000 0.768) 2.275 45.601 ( 7.468 -0.000 -1.279) 7.577 45.612 ( 8.093 -0.000 2.008) 8.338 98.844 ( 1.052 -0.000 -1.836) 2.116 98.911 ( -0.493 0.000 0.487) 0.693 99.390 ( 1.264 -0.000 0.228) 1.284 99.409 ( 1.774 -0.000 0.883) 1.981 99.627 ( 0.789 -0.000 -0.083) 0.794 99.685 ( 0.802 -0.000 0.161) 0.818 100.178 ( -0.437 0.000 -1.338) 1.408 101.198 ( -3.305 0.000 0.981) 3.447======================= Grid point 11 (7/114) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.500 ( 9.971 -8.767 0.975) 13.313 0.608 ( 12.192 -5.727 7.143) 15.247 1.201 ( 12.397 -5.266 4.700) 14.265 1.246 ( 11.148 0.335 3.683) 11.746 1.388 ( 5.547 -2.525 0.113) 6.095 1.503 ( -0.451 1.254 -5.611) 5.767 1.693 ( 2.335 2.194 -2.926) 4.339 1.733 ( -0.215 1.214 -3.109) 3.345 1.773 ( 2.204 1.697 1.187) 3.024 1.863 ( 1.798 2.421 0.145) 3.019 1.951 ( -1.008 -2.337 -1.961) 3.214 2.018 ( 0.406 5.203 1.045) 5.323 2.182 ( 2.178 1.568 -1.483) 3.067 2.215 ( -1.029 0.694 1.413) 1.881 2.293 ( 2.577 -0.532 0.160) 2.636 2.450 ( 0.825 -2.624 1.422) 3.097 2.659 ( -1.683 -0.211 4.471) 4.782 2.957 ( -3.973 0.862 -2.754) 4.910 4.826 ( 0.001 -0.248 -0.205) 0.322 4.882 ( -0.448 0.419 1.173) 1.324 5.254 ( -1.901 0.326 1.301) 2.327 5.302 ( -1.304 0.923 -1.067) 1.921 5.412 ( -0.420 -0.182 0.720) 0.853 5.614 ( -0.109 0.653 -1.202) 1.373 5.674 ( -0.962 -1.571 1.187) 2.192 5.997 ( -1.313 -1.325 -0.744) 2.008 7.004 ( -0.456 0.407 0.883) 1.074 7.179 ( 0.461 -0.114 -0.110) 0.488 7.697 ( -0.235 -0.418 -0.118) 0.494 7.789 ( 0.383 -0.052 -1.135) 1.198 12.789 ( -4.816 3.144 -0.431) 5.767 12.947 ( -7.886 -1.163 -3.089) 8.549 13.716 ( -6.850 7.461 5.794) 11.669 14.206 ( -14.087 -2.222 -1.973) 14.397 17.262 ( 0.703 0.774 -0.250) 1.075 17.466 ( 0.424 -0.847 3.957) 4.068 18.217 ( 0.692 0.122 -1.553) 1.704 18.958 ( 0.515 0.037 0.870) 1.012 19.053 ( -0.519 2.921 -3.097) 4.289 19.117 ( 0.333 -0.831 -3.365) 3.482 21.083 ( -2.980 0.269 3.409) 4.536 21.131 ( 2.073 -0.357 1.977) 2.887 45.230 ( 1.304 -0.608 0.109) 1.443 45.362 ( -0.573 -1.274 0.348) 1.440 45.722 ( 6.350 -2.865 -1.171) 7.064 45.749 ( 7.001 -4.383 0.249) 8.263 98.850 ( 0.676 -0.313 -0.588) 0.949 98.912 ( -0.149 -0.123 0.607) 0.637 99.366 ( 0.818 2.132 -0.440) 2.326 99.480 ( 0.359 -2.621 0.729) 2.744 99.643 ( 0.013 -0.502 -0.456) 0.678 99.718 ( 1.989 -2.243 0.587) 3.055 100.166 ( -0.111 -0.044 -1.378) 1.384 101.065 ( 0.176 9.475 1.257) 9.559======================= Grid point 12 (8/114) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( 7.811 -9.447 0.476) 12.267 0.855 ( 10.603 -3.932 6.048) 12.824 1.242 ( 2.252 0.485 0.152) 2.309 1.371 ( 3.917 2.336 0.149) 4.563 1.422 ( -1.826 2.327 -2.269) 3.729 1.563 ( 7.740 2.985 -1.314) 8.399 1.650 ( 0.957 2.367 -3.767) 4.551 1.734 ( 4.315 0.681 0.564) 4.405 1.765 ( -0.327 1.006 0.442) 1.147 1.883 ( 9.196 -0.913 3.151) 9.764 1.960 ( -0.965 -2.129 0.765) 2.459 2.049 ( 2.093 -3.944 -0.081) 4.465 2.173 ( 1.919 0.704 -0.696) 2.159 2.196 ( -1.391 -0.322 0.502) 1.513 2.324 ( 1.464 0.240 -0.470) 1.556 2.481 ( -0.589 -0.334 0.149) 0.693 2.669 ( -1.805 -0.281 5.394) 5.694 2.830 ( -4.862 5.891 -4.184) 8.709 4.832 ( 0.183 -0.533 -0.361) 0.669 4.876 ( -0.192 0.394 1.072) 1.158 5.231 ( -0.881 0.505 1.162) 1.543 5.279 ( -0.435 0.393 -0.485) 0.761 5.422 ( 0.232 -0.876 -0.142) 0.918 5.579 ( -1.807 1.022 -2.904) 3.570 5.699 ( -0.836 -1.138 2.635) 2.989 5.995 ( -0.920 -0.366 -0.300) 1.035 6.996 ( -0.529 0.425 1.204) 1.383 7.183 ( 0.270 -0.005 -0.362) 0.452 7.704 ( -0.323 -0.816 -0.071) 0.880 7.785 ( 0.150 0.242 -1.199) 1.233 12.681 ( -2.746 2.811 -1.096) 4.080 12.896 ( -3.117 -1.136 -0.932) 3.446 13.499 ( -10.612 6.535 2.898) 12.795 14.156 ( -11.036 -7.793 -1.330) 13.575 17.253 ( 0.577 1.039 0.002) 1.189 17.503 ( 0.424 -0.666 3.259) 3.353 18.215 ( 0.221 0.078 -0.739) 0.776 18.959 ( -0.709 0.337 0.555) 0.961 18.985 ( -0.995 1.731 -2.458) 3.167 19.121 ( 0.702 -0.587 -3.152) 3.282 21.067 ( -1.524 0.345 3.114) 3.484 21.166 ( 1.737 0.028 1.663) 2.405 45.261 ( 1.040 -1.151 0.646) 1.681 45.372 ( 1.094 0.624 0.474) 1.346 45.806 ( 2.222 -2.094 -3.224) 4.440 45.890 ( 7.001 -1.996 2.059) 7.566 98.862 ( 0.404 -0.522 -0.199) 0.689 98.914 ( 0.208 0.332 0.742) 0.839 99.339 ( 0.245 1.281 -0.877) 1.572 99.511 ( 0.124 -0.715 0.676) 0.992 99.641 ( -0.281 -0.069 -0.841) 0.890 99.793 ( 2.955 -2.072 1.662) 3.974 100.170 ( 0.274 -0.853 -0.791) 1.195 100.921 ( -0.671 7.807 -0.004) 7.835======================= Grid point 13 (9/114) =======================q-point: ( 0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( 6.712 -4.376 0.288) 8.018 1.026 ( 6.453 -1.985 5.081) 8.450 1.223 ( 0.535 5.680 -0.912) 5.777 1.352 ( -1.032 -0.004 0.410) 1.111 1.376 ( 4.563 3.445 1.328) 5.870 1.522 ( 5.521 6.926 0.580) 8.876 1.618 ( 0.699 0.647 -2.037) 2.248 1.722 ( 0.735 1.020 -2.195) 2.530 1.764 ( 1.528 0.499 0.020) 1.608 1.944 ( 0.388 1.651 1.397) 2.197 2.055 ( 1.515 -1.866 1.365) 2.764 2.124 ( -1.725 -1.147 -1.418) 2.510 2.151 ( 1.498 -1.730 -0.205) 2.298 2.266 ( -1.450 -1.003 -0.213) 1.776 2.347 ( 1.810 -2.028 -0.522) 2.768 2.434 ( -4.120 1.060 -0.305) 4.265 2.629 ( 0.791 5.446 0.555) 5.531 2.707 ( -1.049 -0.234 0.580) 1.222 4.843 ( 0.237 -0.585 -0.340) 0.717 4.874 ( -0.009 0.327 0.748) 0.817 5.238 ( 0.465 -0.529 1.539) 1.693 5.276 ( 1.742 0.074 -1.002) 2.011 5.439 ( 0.268 -0.746 -0.349) 0.866 5.533 ( -2.015 -0.512 -2.305) 3.104 5.700 ( -2.099 0.508 1.710) 2.755 5.992 ( -0.057 -0.225 0.211) 0.313 6.989 ( -0.508 0.285 0.917) 1.087 7.184 ( 0.216 -0.024 -0.358) 0.419 7.714 ( -0.407 -0.770 -0.004) 0.871 7.774 ( -0.180 0.289 -0.788) 0.859 12.644 ( 1.839 0.306 -0.606) 1.960 12.921 ( 4.674 -1.823 -1.301) 5.183 13.332 ( -9.434 0.257 1.101) 9.501 14.164 ( -11.765 -8.065 0.188) 14.265 17.241 ( 0.289 0.883 -0.072) 0.932 17.523 ( 0.276 0.196 1.772) 1.804 18.212 ( -0.136 0.035 -0.547) 0.564 18.924 ( -2.347 0.234 -1.109) 2.607 18.973 ( 0.973 0.172 -0.160) 1.001 19.122 ( -0.102 -0.625 -1.815) 1.922 21.067 ( 0.183 0.161 2.048) 2.063 21.180 ( 0.897 0.849 0.794) 1.468 45.297 ( 1.290 -1.231 0.459) 1.841 45.368 ( 1.663 1.965 0.164) 2.580 45.809 ( -1.627 0.198 -3.542) 3.902 45.986 ( 5.164 0.375 3.262) 6.120 98.874 ( 0.139 -0.588 -0.242) 0.651 98.910 ( 0.252 0.945 0.523) 1.109 99.323 ( -0.093 0.182 -0.723) 0.751 99.522 ( 0.279 -0.152 0.614) 0.691 99.636 ( -0.289 -0.317 -0.907) 1.004 99.863 ( 4.480 -0.088 2.831) 5.300 100.185 ( -0.075 -0.828 -0.502) 0.971 100.785 ( -3.385 5.145 -1.514) 6.342======================= Grid point 14 (10/114) =======================q-point: (-0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( 4.660 8.557 3.257) 10.274 1.042 ( -0.448 10.201 -1.156) 10.276 1.152 ( 0.970 -1.962 0.708) 2.301 1.371 ( -0.566 -3.001 0.581) 3.109 1.398 ( 6.954 4.066 2.725) 8.504 1.515 ( 6.295 2.365 2.699) 7.246 1.628 ( 1.079 -0.895 0.720) 1.575 1.722 ( -0.030 -1.117 -1.543) 1.906 1.762 ( 1.239 2.259 -0.406) 2.608 1.885 ( -3.124 5.940 -1.398) 6.855 2.033 ( -4.371 1.107 -1.930) 4.905 2.076 ( -2.429 0.970 -1.470) 3.000 2.126 ( -6.380 7.859 -1.010) 10.173 2.224 ( -2.269 1.217 -0.173) 2.581 2.254 ( 1.452 -2.099 0.536) 2.608 2.416 ( -4.959 0.186 -1.906) 5.316 2.687 ( 3.734 -0.458 -4.535) 5.892 2.779 ( 5.119 -7.286 6.896) 11.262 4.851 ( 0.159 -0.056 -0.108) 0.200 4.870 ( 0.014 0.274 0.095) 0.290 5.263 ( 0.223 -1.421 0.975) 1.738 5.304 ( 4.808 1.067 -0.964) 5.019 5.444 ( -0.087 0.075 -0.022) 0.117 5.550 ( -0.787 -3.914 -0.348) 4.007 5.649 ( -3.931 1.696 -0.159) 4.284 6.007 ( 0.743 -0.894 0.453) 1.247 6.984 ( -0.312 0.045 0.171) 0.358 7.186 ( 0.172 -0.016 -0.100) 0.200 7.717 ( -0.343 0.036 -0.050) 0.348 7.771 ( -0.332 -0.581 -0.014) 0.669 12.704 ( 5.745 -2.090 -0.041) 6.114 13.035 ( 9.357 -1.371 0.477) 9.469 13.299 ( -5.596 -6.843 -2.492) 9.184 14.157 ( -11.879 -6.826 1.387) 13.771 17.231 ( 0.030 0.382 -0.242) 0.453 17.518 ( 0.073 1.189 0.264) 1.220 18.206 ( -0.325 -0.053 -0.439) 0.549 18.906 ( -1.641 -1.241 -0.384) 2.093 18.980 ( 0.531 0.174 -0.239) 0.608 19.127 ( -0.181 -0.787 -0.153) 0.822 21.083 ( 1.178 -0.170 0.841) 1.457 21.166 ( 0.154 1.577 -0.141) 1.591 45.335 ( 1.339 -1.005 0.087) 1.676 45.344 ( 1.747 2.731 -0.272) 3.254 45.738 ( -4.099 2.266 -2.682) 5.397 46.025 ( 2.999 2.197 3.607) 5.179 98.883 ( -0.044 -0.595 -0.309) 0.672 98.894 ( 0.145 1.204 0.151) 1.222 99.323 ( -0.239 -0.634 -0.239) 0.719 99.531 ( 0.453 -0.032 0.491) 0.669 99.637 ( -0.285 -0.603 -0.711) 0.975 99.928 ( 7.025 1.877 3.984) 8.291 100.184 ( -0.566 0.223 -0.487) 0.779 100.658 ( -7.334 1.624 -3.209) 8.169======================= Grid point 15 (11/114) =======================q-point: (-0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.816 ( -1.033 13.844 -1.014) 13.919 0.845 ( 1.000 15.611 1.854) 15.753 1.188 ( 1.110 0.020 0.587) 1.256 1.336 ( 0.783 11.833 0.536) 11.871 1.434 ( -1.537 2.454 -2.244) 3.663 1.509 ( -1.412 5.513 1.236) 5.824 1.622 ( 0.169 -0.884 1.416) 1.678 1.676 ( -0.494 1.378 0.176) 1.475 1.737 ( 2.898 -1.189 -0.279) 3.145 1.806 ( 2.805 0.101 2.029) 3.464 1.933 ( -4.718 0.768 -2.810) 5.545 2.017 ( -5.114 -0.870 -1.877) 5.516 2.074 ( -1.044 -1.075 0.476) 1.572 2.205 ( 2.449 0.668 1.429) 2.913 2.279 ( 0.464 1.382 0.418) 1.516 2.346 ( -5.654 -0.601 -2.159) 6.082 2.685 ( 0.850 0.655 -2.193) 2.441 2.993 ( 4.391 -7.161 2.765) 8.844 4.846 ( 0.076 0.605 0.059) 0.612 4.872 ( 0.160 -0.340 -0.190) 0.421 5.292 ( 0.296 -0.847 -0.134) 0.907 5.341 ( 4.815 0.507 0.518) 4.869 5.437 ( -0.041 0.664 0.191) 0.692 5.568 ( -4.185 1.284 -0.887) 4.467 5.620 ( -0.277 -4.152 -0.133) 4.163 6.045 ( 1.185 -2.075 0.559) 2.454 6.984 ( -0.065 -0.358 -0.241) 0.437 7.185 ( 0.012 0.239 0.108) 0.262 7.706 ( -0.244 0.527 -0.151) 0.600 7.783 ( -0.122 -0.882 0.369) 0.964 12.811 ( 4.601 -2.404 0.036) 5.191 13.167 ( 7.818 -1.475 5.042) 9.418 13.383 ( -2.765 -9.741 -6.711) 12.147 14.154 ( -7.278 -5.401 0.539) 9.079 17.228 ( -0.073 -0.291 -0.175) 0.348 17.491 ( -0.049 1.854 -0.476) 1.915 18.204 ( -0.262 -0.234 -0.120) 0.371 18.923 ( -0.690 -2.131 0.067) 2.240 18.972 ( -0.552 0.408 -0.115) 0.696 19.142 ( 0.205 -0.616 0.508) 0.824 21.101 ( 0.697 -0.143 0.057) 0.714 21.137 ( 0.267 1.445 -0.532) 1.563 45.299 ( 0.584 3.179 -0.513) 3.273 45.376 ( 1.618 -1.077 0.154) 1.949 45.631 ( -3.863 3.210 -1.427) 5.222 46.026 ( 2.247 2.682 2.983) 4.598 98.873 ( 0.026 1.198 -0.079) 1.201 98.894 ( -0.070 -0.678 -0.099) 0.689 99.337 ( -0.112 -1.208 0.124) 1.220 99.538 ( 0.453 -0.032 0.319) 0.555 99.644 ( -0.192 -0.855 -0.350) 0.944 100.008 ( 11.176 2.987 5.552) 12.832 100.168 ( -0.474 0.399 -0.163) 0.641 100.515 ( -12.920 -0.090 -5.964) 14.230======================= Grid point 16 (12/114) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( -0.000 15.862 -0.000) 15.862 0.563 ( -0.000 17.594 -0.000) 17.594 0.932 ( -0.000 26.185 -0.000) 26.185 1.199 ( -0.000 0.718 -0.000) 0.718 1.329 ( -0.000 4.196 -0.000) 4.196 1.543 ( 0.000 -3.079 0.000) 3.079 1.654 ( -0.000 0.227 -0.000) 0.227 1.685 ( 0.000 -3.212 0.000) 3.212 1.747 ( -0.000 2.870 -0.000) 2.870 1.829 ( -0.000 1.043 -0.000) 1.043 1.939 ( 0.000 -5.367 0.000) 5.367 2.002 ( 0.000 -2.849 0.000) 2.849 2.091 ( 0.000 -1.091 0.000) 1.091 2.240 ( -0.000 2.261 -0.000) 2.261 2.252 ( 0.000 -0.378 0.000) 0.378 2.282 ( -0.000 1.415 -0.000) 1.415 2.673 ( -0.000 0.735 -0.000) 0.735 3.131 ( 0.000 -5.149 0.000) 5.149 4.837 ( -0.000 0.545 -0.000) 0.545 4.879 ( 0.000 -0.392 0.000) 0.392 5.293 ( -0.000 0.717 -0.000) 0.717 5.377 ( 0.000 -0.475 0.000) 0.475 5.428 ( -0.000 0.582 -0.000) 0.582 5.533 ( 0.000 -1.105 0.000) 1.105 5.666 ( 0.000 -1.444 0.000) 1.444 6.100 ( 0.000 -2.797 0.000) 2.797 6.992 ( 0.000 -0.717 0.000) 0.717 7.179 ( -0.000 0.545 -0.000) 0.545 7.698 ( -0.000 0.215 -0.000) 0.215 7.793 ( 0.000 -0.156 0.000) 0.156 12.869 ( 0.000 -1.532 0.000) 1.532 13.262 ( 0.000 -0.785 0.000) 0.785 13.507 ( 0.000 -9.960 0.000) 9.960 14.175 ( 0.000 -1.827 0.000) 1.827 17.237 ( 0.000 -0.806 0.000) 0.806 17.456 ( -0.000 1.909 -0.000) 1.909 18.207 ( 0.000 -0.343 0.000) 0.343 18.934 ( -0.000 0.654 -0.000) 0.654 18.984 ( 0.000 -2.762 0.000) 2.762 19.148 ( -0.000 0.371 -0.000) 0.371 21.091 ( -0.000 1.169 -0.000) 1.169 21.134 ( 0.000 -0.345 0.000) 0.345 45.251 ( -0.000 2.671 -0.000) 2.671 45.404 ( 0.000 -0.874 0.000) 0.874 45.551 ( -0.000 2.746 -0.000) 2.746 46.018 ( -0.000 1.465 -0.000) 1.465 98.854 ( -0.000 0.964 -0.000) 0.964 98.905 ( 0.000 -0.641 0.000) 0.641 99.359 ( 0.000 -1.279 0.000) 1.279 99.544 ( 0.000 -0.124 0.000) 0.124 99.657 ( 0.000 -0.921 0.000) 0.921 100.134 ( 0.000 -0.410 0.000) 0.410 100.157 ( 0.000 -0.269 0.000) 0.269 100.325 ( -0.000 3.514 -0.000) 3.514======================= Grid point 19 (13/114) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.565 ( 12.231 -0.000 1.902) 12.378 0.747 ( 14.657 -0.000 5.983) 15.831 1.239 ( 0.997 -0.000 0.533) 1.130 1.412 ( 4.743 -0.000 -2.627) 5.422 1.441 ( 6.037 -0.000 1.611) 6.248 1.537 ( 14.125 -0.000 -0.125) 14.126 1.722 ( 0.284 -0.000 -1.723) 1.746 1.743 ( 4.276 -0.000 -1.716) 4.607 1.834 ( -1.399 0.000 0.836) 1.630 1.860 ( 2.407 -0.000 0.248) 2.420 1.909 ( 2.051 -0.000 -1.591) 2.596 2.145 ( 2.379 -0.000 0.146) 2.383 2.145 ( -3.590 0.000 -0.135) 3.593 2.247 ( 1.029 -0.000 -2.195) 2.424 2.295 ( 0.834 -0.000 -0.150) 0.847 2.440 ( 2.155 -0.000 3.196) 3.854 2.658 ( -1.443 0.000 3.494) 3.780 2.921 ( -3.441 0.000 -1.338) 3.692 4.824 ( 0.276 -0.000 -0.482) 0.555 4.889 ( -0.306 0.000 1.482) 1.513 5.245 ( -1.690 0.000 1.623) 2.343 5.301 ( 0.551 -0.000 -1.320) 1.431 5.408 ( -0.863 0.000 1.523) 1.750 5.602 ( -1.275 0.000 -1.873) 2.266 5.648 ( -1.768 0.000 1.337) 2.216 5.975 ( -0.489 0.000 -0.426) 0.649 7.005 ( -0.491 0.000 0.740) 0.888 7.183 ( 0.334 -0.000 0.078) 0.343 7.686 ( -0.572 0.000 -0.280) 0.636 7.787 ( 0.277 -0.000 -1.245) 1.275 12.780 ( -3.949 0.000 1.311) 4.161 12.836 ( -5.456 0.000 -1.231) 5.593 13.725 ( -9.867 0.000 4.023) 10.656 13.914 ( -23.053 0.000 -5.551) 23.712 17.277 ( 0.938 -0.000 -0.339) 0.998 17.486 ( 0.557 -0.000 4.877) 4.908 18.217 ( 0.412 -0.000 -1.400) 1.459 18.966 ( -0.237 0.000 1.309) 1.330 19.032 ( -3.693 0.000 -4.139) 5.547 19.104 ( 1.705 -0.000 -4.461) 4.776 21.075 ( -2.170 0.000 4.672) 5.151 21.166 ( 2.567 -0.000 2.170) 3.361 45.249 ( 2.289 -0.000 -0.564) 2.357 45.360 ( 1.909 -0.000 1.870) 2.672 45.735 ( 5.466 -0.000 -2.592) 6.050 45.859 ( 10.625 -0.000 2.689) 10.960 98.854 ( 0.754 -0.000 -0.451) 0.879 98.914 ( 0.243 -0.000 0.997) 1.027 99.410 ( 0.104 -0.000 0.009) 0.105 99.468 ( 2.142 -0.000 1.472) 2.599 99.652 ( 1.378 -0.000 -0.042) 1.379 99.720 ( 2.112 -0.000 0.345) 2.140 100.155 ( -0.047 0.000 -1.936) 1.937 101.107 ( -4.498 0.000 -0.935) 4.594======================= Grid point 20 (14/114) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( 10.605 -4.737 1.880) 11.766 0.963 ( 13.235 -2.688 4.340) 14.186 1.240 ( -0.998 -0.904 -0.810) 1.571 1.435 ( 1.152 1.840 -1.919) 2.897 1.450 ( 2.975 0.402 -0.901) 3.134 1.649 ( 3.505 0.948 -3.981) 5.388 1.711 ( 1.976 3.779 -1.693) 4.588 1.751 ( -0.595 0.235 -0.138) 0.654 1.882 ( 10.327 1.784 4.709) 11.489 1.934 ( 5.794 -3.404 1.148) 6.817 1.976 ( 1.943 -3.147 0.246) 3.707 2.043 ( 1.451 4.387 -0.123) 4.622 2.173 ( -1.101 0.080 0.857) 1.398 2.208 ( 0.056 2.386 -1.950) 3.082 2.322 ( 0.664 -1.117 -0.846) 1.550 2.482 ( 1.070 0.289 1.578) 1.929 2.664 ( -1.269 -0.578 3.542) 3.807 2.842 ( -4.726 3.140 -1.969) 6.006 4.828 ( 0.418 -0.217 -0.507) 0.692 4.889 ( -0.062 0.468 1.336) 1.417 5.232 ( -1.288 0.171 1.430) 1.932 5.299 ( 2.146 1.294 -0.823) 2.637 5.413 ( -0.022 -0.564 0.679) 0.883 5.563 ( -2.130 1.310 -2.219) 3.343 5.654 ( -2.618 -2.613 1.750) 4.092 5.974 ( -0.517 -0.725 -0.281) 0.934 7.001 ( -0.507 0.276 0.889) 1.060 7.185 ( 0.129 0.082 -0.072) 0.170 7.683 ( -0.674 -0.652 -0.320) 0.991 7.783 ( 0.042 0.043 -1.173) 1.174 12.707 ( -1.343 3.125 0.561) 3.447 12.839 ( -0.696 -2.881 1.615) 3.376 13.467 ( -15.797 7.371 -1.263) 17.478 13.804 ( -17.643 -11.731 -2.376) 21.320 17.278 ( 0.845 0.912 -0.121) 1.249 17.518 ( 0.552 -0.291 4.219) 4.265 18.214 ( 0.063 0.056 -0.910) 0.914 18.954 ( -2.449 1.093 -1.131) 2.911 18.975 ( -1.223 -0.117 -1.084) 1.638 19.100 ( 0.410 -0.527 -4.432) 4.482 21.077 ( -0.756 0.279 4.303) 4.378 21.202 ( 2.196 0.356 1.859) 2.899 45.273 ( 2.145 -0.148 0.021) 2.150 45.401 ( 2.586 -0.024 1.851) 3.181 45.784 ( 2.716 -1.097 -3.329) 4.434 45.987 ( 9.044 -0.034 2.605) 9.412 98.862 ( 0.589 -0.158 -0.175) 0.635 98.925 ( 0.538 0.012 1.024) 1.156 99.378 ( 0.120 2.631 -0.271) 2.648 99.507 ( 0.903 -0.802 1.152) 1.669 99.649 ( 0.740 1.249 -0.530) 1.545 99.789 ( 3.184 -3.513 1.327) 4.923 100.153 ( 0.261 -0.692 -1.501) 1.674 101.003 ( -3.992 5.226 -1.257) 6.696======================= Grid point 21 (15/114) =======================q-point: ( 0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.957 ( 7.919 -5.546 1.758) 9.826 1.131 ( 7.952 -0.321 2.353) 8.299 1.252 ( -1.065 -1.953 -1.470) 2.666 1.368 ( -0.895 5.035 -0.738) 5.167 1.506 ( 6.524 0.008 4.022) 7.664 1.632 ( 2.516 1.846 -4.709) 5.649 1.653 ( -0.202 1.622 -0.172) 1.644 1.762 ( 1.235 -0.022 0.592) 1.369 1.866 ( 5.422 9.258 0.354) 10.735 1.981 ( 1.401 0.866 1.215) 2.047 2.056 ( -1.224 -3.247 -1.915) 3.963 2.104 ( 3.715 -0.218 3.233) 4.930 2.127 ( -0.953 1.567 -2.998) 3.515 2.215 ( -0.632 -1.918 0.759) 2.157 2.341 ( 1.991 -0.949 -0.461) 2.253 2.447 ( -1.914 3.978 0.391) 4.432 2.679 ( -0.572 -0.615 1.825) 2.009 2.714 ( -2.791 3.798 -0.921) 4.803 4.836 ( 0.377 -0.452 -0.362) 0.691 4.886 ( 0.103 0.511 0.962) 1.094 5.228 ( -0.993 -0.499 0.932) 1.451 5.315 ( 4.396 0.371 -0.376) 4.428 5.428 ( 0.381 -0.716 -0.147) 0.824 5.502 ( -2.419 1.099 -1.945) 3.293 5.668 ( -3.450 -1.509 1.475) 4.044 5.983 ( -0.164 -0.817 0.060) 0.835 6.993 ( -0.506 0.405 0.910) 1.117 7.184 ( 0.114 0.034 -0.240) 0.268 7.689 ( -0.630 -1.097 -0.330) 1.308 7.774 ( -0.186 0.309 -0.777) 0.857 12.681 ( 3.001 0.981 0.142) 3.161 12.934 ( 6.624 -4.078 0.429) 7.790 13.215 ( -13.115 1.904 -0.994) 13.290 13.808 ( -17.374 -12.773 -0.578) 21.571 17.265 ( 0.484 1.402 -0.042) 1.484 17.542 ( 0.388 0.205 2.553) 2.591 18.208 ( -0.176 0.108 -0.658) 0.689 18.899 ( -2.278 0.662 -1.549) 2.833 18.977 ( 0.104 -0.432 0.116) 0.459 19.094 ( -0.421 -0.962 -2.839) 3.027 21.087 ( 0.320 0.346 2.814) 2.853 21.216 ( 1.279 1.202 1.096) 2.070 45.303 ( 1.880 -0.633 0.144) 1.989 45.424 ( 2.317 1.570 1.286) 3.080 45.788 ( -0.330 0.549 -3.101) 3.166 46.076 ( 5.700 0.991 2.363) 6.249 98.869 ( 0.311 -0.195 -0.152) 0.397 98.929 ( 0.377 0.643 0.695) 1.019 99.338 ( 0.116 1.813 -0.463) 1.875 99.526 ( 0.384 -0.223 0.767) 0.887 99.635 ( 0.277 0.689 -0.663) 0.995 99.899 ( 3.973 -3.389 2.387) 5.741 100.165 ( 0.077 -0.985 -0.935) 1.360 100.843 ( -3.988 7.362 -1.674) 8.539======================= Grid point 22 (16/114) =======================q-point: (-0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 4.596 -3.227 1.179) 5.738 1.180 ( 2.926 3.529 0.914) 4.674 1.213 ( -0.194 7.256 0.113) 7.259 1.292 ( -2.633 -2.683 -0.712) 3.826 1.604 ( 6.966 1.751 3.300) 7.904 1.627 ( 1.906 -0.031 -0.008) 1.907 1.658 ( 4.372 1.230 1.830) 4.897 1.747 ( 4.673 6.997 1.136) 8.490 1.796 ( -0.147 1.708 -1.790) 2.479 1.946 ( -2.474 4.453 0.773) 5.152 1.995 ( -4.775 0.819 -3.099) 5.751 2.056 ( -1.273 3.153 -2.273) 4.090 2.169 ( -3.732 4.158 -0.504) 5.610 2.206 ( 0.002 -3.946 0.224) 3.953 2.283 ( 0.839 5.777 0.788) 5.890 2.373 ( -3.179 1.515 -1.580) 3.860 2.690 ( 0.688 -0.454 -1.437) 1.656 2.739 ( 2.509 -5.493 3.194) 6.832 4.846 ( 0.173 -0.480 -0.192) 0.545 4.880 ( 0.007 0.666 0.367) 0.761 5.237 ( -0.462 -1.391 0.342) 1.505 5.375 ( 5.351 0.012 -0.242) 5.356 5.443 ( 0.328 -0.346 -0.250) 0.538 5.473 ( -1.813 -2.234 -0.634) 2.946 5.632 ( -3.866 1.239 0.482) 4.088 5.998 ( 0.187 -0.895 0.202) 0.937 6.985 ( -0.306 0.368 0.434) 0.646 7.186 ( 0.129 -0.102 -0.170) 0.236 7.703 ( -0.346 -1.148 -0.089) 1.203 7.763 ( -0.206 0.250 -0.295) 0.438 12.741 ( 5.804 -1.361 -0.035) 5.961 13.094 ( -5.934 -6.450 -2.359) 9.076 13.117 ( 6.814 -1.540 0.985) 7.055 13.842 ( -13.432 -12.591 0.951) 18.435 17.245 ( 0.139 1.243 -0.091) 1.254 17.542 ( 0.151 1.045 0.845) 1.352 18.201 ( -0.202 0.074 -0.402) 0.455 18.872 ( -1.104 -0.460 -0.553) 1.317 18.985 ( 0.279 -0.109 -0.153) 0.337 19.101 ( -0.333 -1.516 -0.833) 1.761 21.098 ( 0.563 0.137 1.124) 1.264 21.201 ( 0.410 1.960 0.290) 2.023 45.336 ( 1.240 -0.943 0.021) 1.557 45.412 ( 1.446 2.839 0.443) 3.217 45.735 ( -1.732 2.527 -1.754) 3.530 46.104 ( 2.335 2.037 1.661) 3.516 98.874 ( 0.075 -0.307 -0.139) 0.345 98.918 ( 0.118 1.214 0.214) 1.238 99.318 ( -0.006 0.494 -0.266) 0.561 99.535 ( 0.212 -0.134 0.372) 0.449 99.628 ( 0.023 0.056 -0.405) 0.409 100.010 ( 4.371 -2.621 2.604) 5.724 100.174 ( -0.266 -0.476 -0.559) 0.781 100.658 ( -4.244 7.713 -1.886) 9.004======================= Grid point 23 (17/114) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -0.000 11.924 -0.000) 11.924 1.090 ( -0.000 10.592 -0.000) 10.592 1.182 ( 0.000 -1.558 0.000) 1.558 1.359 ( 0.000 -5.126 0.000) 5.126 1.603 ( -0.000 9.137 -0.000) 9.137 1.620 ( -0.000 5.801 -0.000) 5.801 1.647 ( -0.000 2.146 -0.000) 2.146 1.713 ( 0.000 -2.426 0.000) 2.426 1.720 ( -0.000 7.136 -0.000) 7.136 1.846 ( -0.000 0.989 -0.000) 0.989 1.923 ( -0.000 3.209 -0.000) 3.209 1.983 ( -0.000 2.238 -0.000) 2.238 2.065 ( -0.000 1.940 -0.000) 1.940 2.259 ( -0.000 1.118 -0.000) 1.118 2.266 ( 0.000 -2.471 0.000) 2.471 2.308 ( -0.000 1.773 -0.000) 1.773 2.691 ( -0.000 0.148 -0.000) 0.148 2.892 ( 0.000 -8.296 0.000) 8.296 4.852 ( 0.000 -0.092 0.000) 0.092 4.871 ( -0.000 0.353 -0.000) 0.353 5.267 ( 0.000 -2.008 0.000) 2.008 5.395 ( -0.000 1.314 -0.000) 1.314 5.443 ( -0.000 0.138 -0.000) 0.138 5.534 ( 0.000 -4.667 0.000) 4.667 5.571 ( -0.000 1.970 -0.000) 1.970 6.020 ( 0.000 -1.513 0.000) 1.513 6.980 ( -0.000 0.077 -0.000) 0.077 7.187 ( 0.000 -0.022 0.000) 0.022 7.711 ( -0.000 0.028 -0.000) 0.028 7.766 ( 0.000 -0.864 0.000) 0.864 12.809 ( 0.000 -1.728 0.000) 1.728 13.164 ( 0.000 -9.159 0.000) 9.159 13.218 ( 0.000 -1.914 0.000) 1.914 13.966 ( 0.000 -10.628 0.000) 10.628 17.230 ( -0.000 0.547 -0.000) 0.547 17.521 ( -0.000 1.690 -0.000) 1.690 18.199 ( 0.000 -0.089 0.000) 0.089 18.884 ( 0.000 -1.664 0.000) 1.664 18.982 ( -0.000 0.631 -0.000) 0.631 19.125 ( 0.000 -1.510 0.000) 1.510 21.104 ( 0.000 -0.128 0.000) 0.128 21.168 ( -0.000 2.081 -0.000) 2.081 45.350 ( -0.000 1.346 -0.000) 1.346 45.378 ( -0.000 0.958 -0.000) 0.958 45.665 ( -0.000 3.556 -0.000) 3.556 46.083 ( -0.000 2.261 -0.000) 2.261 98.881 ( 0.000 -0.455 0.000) 0.455 98.897 ( -0.000 1.284 -0.000) 1.284 99.319 ( 0.000 -0.665 0.000) 0.665 99.539 ( 0.000 -0.145 0.000) 0.145 99.630 ( 0.000 -0.483 0.000) 0.483 100.094 ( 0.000 -2.228 0.000) 2.228 100.171 ( -0.000 0.355 -0.000) 0.355 100.491 ( -0.000 6.987 -0.000) 6.987======================= Grid point 28 (18/114) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 10.372 -0.000 2.556) 10.683 1.101 ( 11.815 -0.000 2.238) 12.025 1.198 ( -3.272 0.000 -1.801) 3.735 1.466 ( 1.591 -0.000 -1.471) 2.167 1.468 ( 2.247 -0.000 0.014) 2.247 1.654 ( -0.468 0.000 -2.794) 2.833 1.740 ( 0.606 -0.000 0.866) 1.057 1.802 ( 0.596 -0.000 -0.709) 0.927 1.856 ( -0.372 0.000 -2.370) 2.399 1.975 ( 1.866 -0.000 -2.021) 2.750 2.069 ( -1.262 0.000 1.195) 1.738 2.108 ( 13.951 -0.000 6.226) 15.277 2.199 ( 2.737 -0.000 0.058) 2.737 2.213 ( -1.883 0.000 -2.315) 2.984 2.319 ( 1.704 -0.000 -0.042) 1.705 2.522 ( 2.379 -0.000 1.617) 2.876 2.660 ( -1.107 0.000 3.064) 3.258 2.799 ( -5.887 0.000 -2.118) 6.257 4.829 ( 0.456 -0.000 -0.486) 0.667 4.899 ( 0.010 -0.000 1.079) 1.079 5.225 ( -1.179 0.000 1.200) 1.682 5.349 ( 4.539 -0.000 -1.111) 4.673 5.409 ( -0.124 0.000 1.095) 1.102 5.555 ( -1.332 0.000 -1.362) 1.905 5.585 ( -4.682 0.000 1.109) 4.812 5.961 ( -0.377 0.000 -0.263) 0.460 7.002 ( -0.339 0.000 0.534) 0.632 7.186 ( -0.064 0.000 0.038) 0.075 7.669 ( -0.642 0.000 -0.228) 0.681 7.778 ( -0.054 0.000 -0.969) 0.970 12.736 ( -1.278 0.000 3.108) 3.360 12.837 ( 4.817 -0.000 3.006) 5.678 13.366 ( -18.012 0.000 -6.719) 19.224 13.444 ( -15.174 0.000 -0.813) 15.196 17.296 ( 0.793 -0.000 -0.072) 0.796 17.541 ( 0.491 -0.000 3.624) 3.657 18.210 ( -0.071 0.000 -0.639) 0.643 18.921 ( -2.723 0.000 -2.800) 3.906 18.962 ( -0.928 0.000 1.140) 1.470 19.075 ( -0.101 0.000 -4.081) 4.082 21.095 ( -0.037 0.000 3.732) 3.732 21.238 ( 1.856 -0.000 1.495) 2.383 45.294 ( 1.675 -0.000 -0.133) 1.681 45.448 ( 3.257 -0.000 2.475) 4.091 45.790 ( 1.849 -0.000 -2.996) 3.520 46.094 ( 7.265 -0.000 1.860) 7.499 98.867 ( 0.506 -0.000 -0.021) 0.506 98.938 ( 0.810 -0.000 0.981) 1.272 99.396 ( -0.932 0.000 -0.246) 0.964 99.519 ( 1.053 -0.000 1.075) 1.504 99.680 ( 0.975 -0.000 -0.111) 0.981 99.783 ( 2.652 -0.000 0.569) 2.713 100.144 ( 0.388 -0.000 -1.280) 1.337 100.996 ( -3.778 0.000 -1.270) 3.986======================= Grid point 29 (19/114) =======================q-point: ( 0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 8.182 -2.701 2.538) 8.983 1.155 ( -3.881 -1.386 -1.898) 4.537 1.223 ( 4.945 -0.991 -0.120) 5.044 1.444 ( 0.705 3.554 -0.465) 3.653 1.542 ( 4.525 -3.804 2.805) 6.543 1.635 ( -0.257 -0.114 -1.725) 1.748 1.694 ( -2.073 3.780 -1.745) 4.651 1.782 ( 2.313 0.120 2.655) 3.524 1.894 ( -4.166 -2.946 -3.837) 6.384 2.008 ( 2.558 -3.342 -1.075) 4.344 2.066 ( 2.542 2.149 1.465) 3.637 2.147 ( -2.253 2.710 0.054) 3.525 2.167 ( 1.328 4.450 -0.899) 4.730 2.251 ( 3.747 1.705 1.876) 4.524 2.362 ( 4.407 -0.261 1.073) 4.543 2.515 ( 0.556 3.838 0.747) 3.949 2.667 ( -0.515 -0.590 1.440) 1.639 2.707 ( -4.785 1.238 -1.678) 5.219 4.833 ( 0.283 -0.215 -0.253) 0.436 4.900 ( 0.074 0.381 0.601) 0.715 5.218 ( -0.644 0.036 0.568) 0.859 5.380 ( 4.648 1.476 -0.197) 4.881 5.423 ( 0.650 -0.433 -0.122) 0.791 5.490 ( -3.176 1.746 -0.575) 3.670 5.594 ( -2.776 -3.309 0.632) 4.365 5.965 ( -0.173 -0.906 -0.080) 0.926 6.998 ( -0.221 0.267 0.377) 0.512 7.185 ( -0.046 0.056 -0.030) 0.079 7.667 ( -0.398 -0.600 -0.187) 0.744 7.773 ( -0.102 0.087 -0.500) 0.517 12.738 ( 2.264 0.878 2.176) 3.261 12.951 ( 6.181 -1.912 2.450) 6.919 13.119 ( -7.916 2.456 -3.283) 8.914 13.396 ( -15.324 -11.789 -2.089) 19.447 17.293 ( 0.402 1.109 -0.007) 1.179 17.559 ( 0.270 0.085 1.843) 1.864 18.206 ( -0.108 0.132 -0.350) 0.389 18.881 ( -1.431 0.544 -1.265) 1.986 18.964 ( -0.430 -0.767 0.433) 0.980 19.063 ( -0.274 -0.578 -2.149) 2.243 21.108 ( 0.236 0.300 1.938) 1.975 21.252 ( 0.925 0.860 0.750) 1.469 45.311 ( 0.982 -0.398 -0.029) 1.060 45.481 ( 2.043 1.089 1.536) 2.778 45.786 ( 0.222 0.572 -1.996) 2.088 46.157 ( 3.684 0.910 1.081) 3.946 98.871 ( 0.247 0.015 -0.014) 0.248 98.946 ( 0.457 0.419 0.540) 0.822 99.369 ( -0.376 1.748 -0.206) 1.799 99.532 ( 0.375 -0.045 0.528) 0.649 99.661 ( 0.442 2.053 -0.248) 2.115 99.864 ( 1.857 -4.945 0.835) 5.347 100.149 ( 0.190 -0.618 -0.671) 0.932 100.911 ( -2.278 5.152 -0.872) 5.700======================= Grid point 30 (20/114) =======================q-point: (-0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 0.000 -1.975 0.000) 1.975 1.155 ( 0.000 -5.039 0.000) 5.039 1.248 ( -0.000 0.852 -0.000) 0.852 1.358 ( -0.000 6.654 -0.000) 6.654 1.622 ( -0.000 1.374 -0.000) 1.374 1.633 ( 0.000 -0.722 0.000) 0.722 1.694 ( 0.000 -5.448 0.000) 5.448 1.807 ( -0.000 2.308 -0.000) 2.308 1.864 ( 0.000 -1.534 0.000) 1.534 2.021 ( -0.000 9.893 -0.000) 9.893 2.036 ( -0.000 4.234 -0.000) 4.234 2.088 ( -0.000 1.565 -0.000) 1.565 2.125 ( 0.000 -4.356 0.000) 4.356 2.222 ( -0.000 3.767 -0.000) 3.767 2.371 ( -0.000 1.844 -0.000) 1.844 2.419 ( -0.000 7.200 -0.000) 7.200 2.679 ( 0.000 -0.709 0.000) 0.709 2.687 ( 0.000 -2.340 0.000) 2.340 4.839 ( 0.000 -0.391 0.000) 0.391 4.893 ( -0.000 0.626 -0.000) 0.626 5.218 ( 0.000 -0.508 0.000) 0.508 5.414 ( 0.000 -0.060 0.000) 0.060 5.416 ( 0.000 -0.718 0.000) 0.718 5.453 ( -0.000 0.454 -0.000) 0.454 5.615 ( 0.000 -0.824 0.000) 0.824 5.982 ( 0.000 -1.122 0.000) 1.122 6.992 ( -0.000 0.440 -0.000) 0.440 7.184 ( 0.000 -0.038 0.000) 0.038 7.679 ( 0.000 -1.150 0.000) 1.150 7.767 ( -0.000 0.322 -0.000) 0.322 12.768 ( 0.000 -0.573 0.000) 0.573 12.963 ( 0.000 -1.769 0.000) 1.769 13.138 ( 0.000 -2.496 0.000) 2.496 13.514 ( 0.000 -14.739 0.000) 14.739 17.271 ( -0.000 1.602 -0.000) 1.602 17.559 ( -0.000 0.565 -0.000) 0.565 18.201 ( -0.000 0.184 -0.000) 0.184 18.863 ( -0.000 0.249 -0.000) 0.249 18.979 ( 0.000 -0.819 0.000) 0.819 19.071 ( 0.000 -1.246 0.000) 1.246 21.108 ( -0.000 0.355 -0.000) 0.355 21.237 ( -0.000 1.686 -0.000) 1.686 45.328 ( 0.000 -0.803 0.000) 0.803 45.467 ( -0.000 2.292 -0.000) 2.292 45.760 ( -0.000 1.817 -0.000) 1.817 46.156 ( -0.000 1.806 -0.000) 1.806 98.872 ( 0.000 -0.042 0.000) 0.042 98.938 ( -0.000 0.956 -0.000) 0.956 99.336 ( -0.000 1.654 -0.000) 1.654 99.535 ( 0.000 -0.060 0.000) 0.060 99.636 ( -0.000 1.005 -0.000) 1.005 99.968 ( 0.000 -5.170 0.000) 5.170 100.160 ( 0.000 -0.759 0.000) 0.759 100.776 ( -0.000 8.472 -0.000) 8.472======================= Grid point 38 (21/114) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( 0.000 -0.000 0.000) 0.000 1.076 ( -0.000 0.000 -0.000) 0.000 1.249 ( 0.000 -0.000 0.000) 0.000 1.479 ( 0.000 -0.000 -0.000) 0.000 1.539 ( 0.000 -0.000 0.000) 0.000 1.628 ( 0.000 -0.000 0.000) 0.000 1.709 ( 0.000 -0.000 -0.000) 0.000 1.802 ( 0.000 -0.000 0.000) 0.000 1.833 ( 0.000 -0.000 0.000) 0.000 1.977 ( 0.000 -0.000 0.000) 0.000 2.107 ( -0.000 0.000 -0.000) 0.000 2.148 ( 0.000 -0.000 0.000) 0.000 2.215 ( 0.000 -0.000 0.000) 0.000 2.292 ( 0.000 -0.000 -0.000) 0.000 2.418 ( 0.000 -0.000 0.000) 0.000 2.559 ( 0.000 -0.000 0.000) 0.000 2.663 ( 0.000 -0.000 -0.000) 0.000 2.669 ( -0.000 0.000 -0.000) 0.000 4.832 ( 0.000 -0.000 0.000) 0.000 4.905 ( 0.000 -0.000 0.000) 0.000 5.217 ( 0.000 -0.000 -0.000) 0.000 5.416 ( 0.000 -0.000 0.000) 0.000 5.458 ( -0.000 0.000 0.000) 0.000 5.476 ( 0.000 -0.000 -0.000) 0.000 5.529 ( 0.000 -0.000 0.000) 0.000 5.955 ( 0.000 -0.000 0.000) 0.000 7.000 ( 0.000 -0.000 0.000) 0.000 7.185 ( 0.000 -0.000 0.000) 0.000 7.659 ( 0.000 -0.000 0.000) 0.000 7.771 ( 0.000 -0.000 0.000) 0.000 12.762 ( 0.000 -0.000 -0.000) 0.000 13.082 ( -0.000 0.000 -0.000) 0.000 13.087 ( 0.000 -0.000 0.000) 0.000 13.090 ( 0.000 -0.000 0.000) 0.000 17.305 ( 0.000 -0.000 0.000) 0.000 17.566 ( 0.000 -0.000 0.000) 0.000 18.206 ( 0.000 -0.000 0.000) 0.000 18.874 ( 0.000 -0.000 0.000) 0.000 18.955 ( 0.000 -0.000 0.000) 0.000 19.051 ( 0.000 -0.000 0.000) 0.000 21.117 ( 0.000 -0.000 0.000) 0.000 21.267 ( 0.000 -0.000 0.000) 0.000 45.313 ( 0.000 -0.000 0.000) 0.000 45.508 ( 0.000 -0.000 0.000) 0.000 45.788 ( 0.000 -0.000 -0.000) 0.000 46.189 ( 0.000 -0.000 0.000) 0.000 98.873 ( 0.000 -0.000 0.000) 0.000 98.955 ( 0.000 -0.000 0.000) 0.000 99.381 ( 0.000 -0.000 0.000) 0.000 99.535 ( 0.000 -0.000 0.000) 0.000 99.691 ( 0.000 -0.000 0.000) 0.000 99.822 ( 0.000 -0.000 0.000) 0.000 100.143 ( 0.000 -0.000 0.000) 0.000 100.942 ( 0.000 -0.000 0.000) 0.000======================= Grid point 67 (22/114) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.348 ( 13.327 -0.000 16.065) 20.874 0.359 ( 1.865 -0.000 16.803) 16.907 0.665 ( -8.771 0.000 29.407) 30.687 1.229 ( -0.780 0.000 4.088) 4.162 1.245 ( -1.976 0.000 -1.686) 2.597 1.583 ( -0.178 0.000 -5.905) 5.908 1.655 ( 1.887 -0.000 -0.303) 1.911 1.774 ( -1.140 0.000 -3.114) 3.316 1.778 ( -3.095 0.000 -0.098) 3.096 1.976 ( -6.854 0.000 -3.653) 7.766 1.983 ( -2.821 0.000 -5.666) 6.330 2.088 ( 2.504 -0.000 -1.292) 2.818 2.210 ( -6.232 0.000 5.643) 8.407 2.236 ( 0.176 -0.000 2.828) 2.833 2.267 ( 0.509 -0.000 -0.079) 0.515 2.352 ( 2.541 -0.000 -3.375) 4.224 2.509 ( 16.716 -0.000 2.373) 16.883 2.715 ( 0.803 -0.000 4.032) 4.111 4.876 ( 1.309 -0.000 -0.829) 1.549 5.116 ( -6.829 0.000 -5.160) 8.560 5.299 ( -0.660 0.000 1.223) 1.389 5.379 ( -1.641 0.000 -0.404) 1.690 5.477 ( -2.095 0.000 4.949) 5.375 5.621 ( 1.762 -0.000 0.137) 1.767 5.631 ( -0.489 0.000 0.068) 0.494 5.961 ( 0.910 -0.000 -3.007) 3.142 7.030 ( -0.143 0.000 1.659) 1.665 7.160 ( 0.125 -0.000 -0.390) 0.410 7.692 ( 0.049 -0.000 -0.559) 0.561 7.769 ( -0.016 0.000 -1.418) 1.418 12.909 ( -0.237 0.000 1.248) 1.270 13.212 ( -6.693 0.000 -4.851) 8.266 13.801 ( 7.404 -0.000 6.836) 10.077 14.233 ( 10.898 -0.000 -1.322) 10.978 17.313 ( -2.661 0.000 4.869) 5.549 17.450 ( 2.031 -0.000 2.968) 3.596 18.868 ( 2.161 -0.000 -4.500) 4.992 19.016 ( -9.380 0.000 -6.876) 11.630 19.076 ( -1.188 0.000 1.056) 1.590 19.444 ( -32.964 0.000 -3.608) 33.161 21.087 ( -1.420 0.000 1.703) 2.218 21.148 ( 1.813 -0.000 0.840) 1.998 45.390 ( -10.755 0.000 0.225) 10.758 45.421 ( 2.527 -0.000 0.076) 2.528 45.467 ( -3.050 0.000 -0.037) 3.051 45.500 ( 2.513 -0.000 -0.195) 2.521 98.931 ( -0.112 0.000 1.301) 1.306 99.090 ( -18.372 0.000 -0.817) 18.391 99.367 ( 0.474 -0.000 -0.303) 0.562 99.377 ( -0.371 0.000 -0.555) 0.668 99.619 ( -0.177 0.000 0.078) 0.193 99.669 ( 0.437 -0.000 -0.652) 0.785 100.208 ( -2.195 0.000 1.613) 2.724 100.451 ( 40.255 -0.000 -1.872) 40.298======================= Grid point 68 (23/114) =======================q-point: ( 0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( 4.296 -4.415 13.073) 14.451 0.617 ( 3.885 -6.942 16.449) 18.271 0.930 ( 8.641 -13.977 18.401) 24.670 1.219 ( -0.484 0.114 0.356) 0.611 1.282 ( 2.062 -3.430 1.212) 4.182 1.530 ( -1.391 1.292 -7.207) 7.453 1.666 ( -2.454 2.608 0.969) 3.710 1.707 ( -0.714 0.909 -0.332) 1.203 1.761 ( -1.405 -1.111 -1.606) 2.406 1.880 ( -2.298 4.351 4.311) 6.541 1.945 ( -1.565 -1.552 -3.538) 4.169 2.066 ( -2.336 5.814 4.031) 7.450 2.097 ( 3.003 2.003 -1.733) 4.004 2.241 ( 0.153 1.504 0.956) 1.789 2.255 ( 1.033 0.028 1.688) 1.980 2.372 ( 5.504 -0.245 -0.806) 5.568 2.656 ( 6.883 0.964 -3.293) 7.691 2.909 ( -0.604 -9.644 -5.152) 10.951 4.881 ( 0.792 0.552 -0.538) 1.105 4.949 ( -6.582 4.108 2.673) 8.206 5.305 ( -0.453 -0.538 1.876) 2.003 5.346 ( -3.085 0.467 -0.806) 3.222 5.455 ( -1.414 1.668 3.681) 4.282 5.600 ( 0.565 1.233 0.586) 1.477 5.673 ( 1.353 -1.330 -0.142) 1.903 5.981 ( -0.004 -1.827 -5.149) 5.464 7.034 ( -0.273 0.242 2.161) 2.191 7.165 ( 0.160 -0.304 -0.617) 0.706 7.694 ( 0.163 -0.391 -0.360) 0.555 7.765 ( 0.145 -0.108 -1.682) 1.692 12.894 ( -2.124 1.704 1.708) 3.214 13.089 ( -8.179 0.909 -4.862) 9.558 13.847 ( 2.653 5.769 7.717) 9.993 14.260 ( 2.605 3.129 -6.031) 7.277 17.302 ( -2.309 0.438 4.460) 5.041 17.495 ( 1.707 -0.565 4.037) 4.420 18.633 ( -24.118 11.500 14.739) 30.515 18.901 ( 2.049 -1.725 -3.526) 4.428 19.026 ( -0.384 4.343 0.360) 4.375 19.129 ( -3.203 2.313 1.231) 4.138 21.087 ( 1.466 0.108 0.214) 1.486 21.155 ( -0.062 1.016 1.082) 1.486 45.270 ( -2.670 0.217 3.436) 4.357 45.409 ( -1.981 0.296 0.356) 2.035 45.566 ( 5.958 -2.037 0.495) 6.315 45.639 ( -0.961 -11.509 -6.590) 13.297 98.910 ( -4.649 2.091 3.953) 6.451 98.933 ( -0.301 0.458 1.802) 1.884 99.357 ( -1.008 0.389 -0.578) 1.226 99.477 ( -0.720 -5.048 -2.025) 5.486 99.658 ( -2.461 -3.572 -1.708) 4.662 99.671 ( 1.604 -1.285 -1.175) 2.367 100.184 ( -1.866 0.263 0.940) 2.106 100.736 ( 23.979 6.938 -8.787) 26.464======================= Grid point 69 (24/114) =======================q-point: ( 0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 3.733 -7.152 8.021) 11.376 0.852 ( 1.588 -8.591 14.022) 16.521 1.195 ( 2.674 -0.545 0.656) 2.806 1.304 ( 2.340 -4.532 5.402) 7.430 1.406 ( 3.851 -4.276 0.581) 5.783 1.469 ( -1.426 -0.553 -6.187) 6.373 1.612 ( -0.549 0.225 3.722) 3.768 1.684 ( 1.207 -1.647 1.760) 2.695 1.768 ( 0.817 -0.023 0.343) 0.886 1.799 ( -1.002 5.140 4.982) 7.228 1.973 ( -0.977 -3.107 -2.569) 4.148 2.037 ( 0.318 -1.874 0.955) 2.127 2.085 ( 3.416 2.087 -1.152) 4.165 2.220 ( 0.209 1.465 0.263) 1.503 2.287 ( 1.873 -0.528 1.570) 2.501 2.418 ( 3.878 0.054 -2.039) 4.382 2.678 ( 3.873 1.591 -4.166) 5.906 2.917 ( -5.809 0.755 -1.730) 6.108 4.862 ( -1.456 0.893 0.399) 1.754 4.886 ( -0.564 0.679 0.927) 1.280 5.286 ( -3.506 0.859 -0.205) 3.615 5.320 ( -1.112 -0.319 2.176) 2.464 5.441 ( -0.812 0.048 2.395) 2.529 5.577 ( -1.096 1.314 -1.725) 2.430 5.708 ( 2.275 -0.001 1.482) 2.715 5.973 ( 0.376 -0.090 -4.662) 4.678 7.036 ( -0.506 0.497 2.879) 2.965 7.166 ( 0.169 -0.176 -1.108) 1.135 7.705 ( 0.107 -0.852 -0.122) 0.867 7.759 ( 0.435 0.121 -1.616) 1.678 12.798 ( -6.749 3.841 0.473) 7.780 12.987 ( -4.982 0.197 -2.214) 5.455 13.730 ( -5.304 9.483 5.321) 12.099 14.218 ( 1.874 0.083 -4.461) 4.840 17.290 ( -1.968 0.528 4.056) 4.539 17.536 ( 0.935 -0.051 3.906) 4.017 18.400 ( -10.255 3.350 12.991) 16.886 18.947 ( 2.503 -1.512 -2.501) 3.848 18.963 ( 0.270 2.572 -0.827) 2.715 19.086 ( -1.728 0.293 -1.687) 2.433 21.096 ( 1.099 1.275 -1.074) 1.997 21.137 ( 0.557 0.837 0.106) 1.011 45.283 ( -1.330 -1.905 2.050) 3.098 45.379 ( -1.305 1.101 0.306) 1.734 45.687 ( 5.891 -3.318 -0.224) 6.765 45.765 ( 2.379 -6.381 -4.352) 8.082 98.882 ( -1.415 -0.110 1.950) 2.412 98.930 ( -0.090 0.723 1.779) 1.922 99.339 ( -1.055 0.001 -0.023) 1.055 99.512 ( -0.043 -1.124 -0.401) 1.194 99.651 ( -1.329 -0.438 -0.841) 1.632 99.735 ( 1.528 -3.328 -2.011) 4.178 100.177 ( -1.008 -0.891 0.910) 1.625 100.769 ( 11.031 6.738 -6.099) 14.293======================= Grid point 70 (25/114) =======================q-point: ( 0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 3.686 -4.830 4.445) 7.528 1.061 ( 0.484 -7.136 11.068) 13.178 1.220 ( 1.018 1.624 2.700) 3.311 1.320 ( -0.239 2.150 0.429) 2.205 1.406 ( -1.164 1.353 1.141) 2.118 1.473 ( 0.456 -2.480 -2.670) 3.672 1.616 ( -1.522 -0.888 3.988) 4.360 1.706 ( -2.686 2.269 1.803) 3.952 1.752 ( 0.236 1.002 -0.522) 1.154 1.918 ( 4.223 -3.082 2.861) 5.960 2.019 ( 1.360 -4.799 -1.430) 5.189 2.076 ( 2.230 -3.920 0.672) 4.560 2.137 ( 3.696 -0.689 -1.429) 4.022 2.207 ( 2.048 -0.371 0.784) 2.224 2.307 ( -0.011 0.474 1.057) 1.159 2.453 ( 2.480 -1.061 -1.976) 3.344 2.626 ( -0.287 5.170 -7.881) 9.430 2.798 ( -5.307 3.477 3.671) 7.330 4.846 ( -0.590 -0.170 -0.137) 0.629 4.880 ( 0.081 0.397 0.523) 0.662 5.241 ( -1.704 0.682 -0.061) 1.837 5.318 ( -2.149 -0.180 2.767) 3.509 5.453 ( -0.685 -0.992 2.102) 2.423 5.531 ( -0.976 0.358 -2.886) 3.067 5.727 ( 1.531 1.475 1.345) 2.516 5.958 ( 1.201 0.386 -3.883) 4.083 7.029 ( -0.732 1.104 2.810) 3.107 7.167 ( 0.186 -0.455 -1.201) 1.298 7.721 ( -0.070 -0.867 0.038) 0.870 7.757 ( 0.603 0.028 -1.123) 1.275 12.669 ( -4.875 2.335 -0.466) 5.425 12.928 ( -4.256 -0.069 -0.814) 4.334 13.518 ( -5.926 8.070 1.859) 10.183 14.256 ( 3.304 -1.719 -1.410) 3.983 17.279 ( -1.783 0.426 3.675) 4.106 17.550 ( 0.140 1.003 2.779) 2.958 18.342 ( -6.005 0.396 10.571) 12.164 18.931 ( 0.518 0.671 -1.757) 1.951 18.975 ( -0.238 -0.168 0.723) 0.780 19.072 ( 0.591 -1.252 -3.656) 3.909 21.062 ( 0.591 2.250 -1.624) 2.838 21.140 ( 1.658 0.542 -1.909) 2.586 45.307 ( -1.405 -1.807 0.906) 2.462 45.347 ( -0.082 1.818 0.025) 1.820 45.773 ( 0.877 -3.045 -3.442) 4.679 45.885 ( 5.799 -2.889 0.982) 6.552 98.884 ( -0.732 -0.611 0.918) 1.323 98.921 ( -0.119 1.156 1.404) 1.822 99.335 ( -1.093 -0.752 0.815) 1.557 99.522 ( 0.264 -0.055 0.207) 0.340 99.642 ( -1.187 -0.656 -0.906) 1.631 99.789 ( 2.899 -0.761 -0.860) 3.118 100.194 ( -0.554 -1.308 0.930) 1.698 100.732 ( 4.399 4.098 -5.608) 8.222======================= Grid point 71 (26/114) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( 1.929 4.002 2.194) 4.955 1.126 ( -2.683 3.970 5.772) 7.501 1.223 ( -2.590 -2.978 6.406) 7.524 1.319 ( 2.643 0.288 2.116) 3.398 1.413 ( 1.228 -0.575 2.825) 3.133 1.518 ( -1.246 -2.918 5.078) 5.988 1.626 ( -2.662 -1.403 4.200) 5.167 1.699 ( 0.176 -2.699 -1.389) 3.041 1.744 ( 0.732 0.090 -0.429) 0.853 1.914 ( -1.079 2.411 -0.358) 2.666 2.065 ( 0.543 2.577 -0.975) 2.809 2.098 ( -2.868 0.479 -3.574) 4.607 2.180 ( 2.241 -1.484 1.157) 2.927 2.260 ( -1.403 2.348 -4.703) 5.441 2.301 ( -2.982 -0.227 0.773) 3.089 2.467 ( -3.176 -2.360 -3.182) 5.077 2.488 ( 4.668 3.815 -2.708) 6.609 2.786 ( 2.484 -1.978 3.969) 5.082 4.846 ( 0.059 -0.249 -0.502) 0.564 4.875 ( -0.096 0.513 0.602) 0.797 5.222 ( 0.795 0.845 -0.346) 1.211 5.307 ( -1.838 -0.080 2.631) 3.210 5.468 ( -0.913 -0.458 2.219) 2.443 5.542 ( 0.468 -3.224 -1.770) 3.708 5.701 ( -0.406 2.653 0.209) 2.692 5.954 ( 2.041 0.058 -3.552) 4.096 7.012 ( -0.658 1.194 1.998) 2.419 7.174 ( 0.192 -0.630 -0.679) 0.946 7.726 ( -0.223 0.283 0.256) 0.443 7.767 ( 0.346 -1.083 -0.727) 1.350 12.627 ( 0.246 -0.865 -0.514) 1.036 12.905 ( -0.264 -1.677 -0.507) 1.772 13.385 ( -1.642 2.778 -0.070) 3.228 14.304 ( 1.402 -0.323 0.252) 1.461 17.272 ( -1.691 -0.012 3.712) 4.079 17.532 ( -0.318 2.004 1.353) 2.439 18.332 ( -5.034 -0.772 10.141) 11.348 18.933 ( 0.001 -1.411 -1.403) 1.990 18.969 ( -0.429 0.390 1.064) 1.211 19.096 ( 1.071 -1.869 -3.157) 3.822 21.034 ( 2.031 1.665 -2.226) 3.443 21.129 ( 1.146 1.147 -3.125) 3.521 45.309 ( 0.342 1.820 -0.116) 1.856 45.329 ( -0.645 -1.045 0.044) 1.229 45.779 ( -2.653 -0.928 -3.564) 4.539 45.979 ( 4.242 -0.098 2.502) 4.926 98.891 ( -0.560 -0.589 0.575) 0.996 98.904 ( -0.275 1.002 0.994) 1.438 99.345 ( -1.076 -1.087 1.433) 2.096 99.525 ( 0.560 0.343 0.448) 0.795 99.638 ( -0.886 -0.838 -0.920) 1.528 99.819 ( 4.294 1.689 0.038) 4.614 100.205 ( -0.941 -0.294 0.912) 1.343 100.691 ( -0.324 0.236 -6.326) 6.338======================= Grid point 72 (27/114) =======================q-point: (-0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( -1.148 11.472 1.084) 11.580 1.007 ( -6.536 8.903 8.614) 14.006 1.242 ( -2.939 -0.763 4.351) 5.306 1.359 ( -0.050 0.460 2.862) 2.900 1.459 ( 1.906 0.321 2.687) 3.310 1.596 ( -1.295 -2.795 4.142) 5.162 1.654 ( -3.725 -2.604 1.968) 4.953 1.712 ( -0.861 0.392 -2.607) 2.774 1.737 ( -4.662 3.678 4.913) 7.708 1.818 ( -1.419 -0.095 0.501) 1.508 1.988 ( -3.209 3.338 -3.567) 5.845 2.016 ( 1.784 2.122 -1.427) 3.118 2.137 ( -3.514 -0.645 0.427) 3.598 2.253 ( 0.217 0.278 1.712) 1.748 2.271 ( -3.228 -0.611 -0.215) 3.293 2.432 ( -4.322 -0.742 -3.443) 5.576 2.503 ( 6.110 1.572 -8.054) 10.231 2.923 ( 5.951 -4.350 2.840) 7.900 4.850 ( 0.628 -0.107 -0.802) 1.024 4.871 ( -0.307 -0.061 1.555) 1.586 5.232 ( 3.079 0.336 -0.163) 3.101 5.312 ( -0.314 -0.571 2.308) 2.398 5.465 ( -1.169 0.749 2.324) 2.707 5.605 ( 0.163 -3.006 -2.746) 4.075 5.646 ( -1.535 1.374 1.223) 2.395 5.971 ( 3.007 -0.751 -3.697) 4.825 6.999 ( -0.366 0.467 1.449) 1.566 7.183 ( 0.101 -0.363 -0.115) 0.394 7.713 ( -0.339 0.766 -0.062) 0.840 7.786 ( -0.028 -1.041 -0.471) 1.143 12.693 ( 4.295 -3.594 0.248) 5.606 12.990 ( 6.859 -3.495 0.622) 7.723 13.380 ( 0.660 -2.954 -1.758) 3.501 14.290 ( -1.106 2.082 -0.317) 2.378 17.277 ( -1.706 -0.625 4.215) 4.590 17.493 ( -0.263 2.527 0.442) 2.579 18.358 ( -4.595 -3.096 12.161) 13.364 18.961 ( -0.864 -2.972 -1.033) 3.263 18.966 ( 0.034 0.441 0.711) 0.838 19.121 ( 0.587 -1.434 -2.249) 2.732 21.034 ( 3.474 0.696 -2.148) 4.143 21.101 ( 0.641 1.405 -3.390) 3.725 45.277 ( 0.690 2.272 0.011) 2.374 45.350 ( 0.218 -1.462 0.157) 1.486 45.716 ( -5.162 1.191 -2.830) 6.006 46.000 ( 2.056 2.999 1.816) 4.065 98.883 ( -0.334 0.689 0.678) 1.023 98.909 ( -0.547 -0.979 1.302) 1.718 99.359 ( -0.920 -1.071 1.501) 2.060 99.528 ( 0.945 0.596 0.520) 1.232 99.641 ( -0.475 -0.862 -0.909) 1.340 99.832 ( 6.390 4.022 0.566) 7.572 100.197 ( -1.265 0.047 1.442) 1.919 100.644 ( -5.620 -2.368 -9.226) 11.059======================= Grid point 73 (28/114) =======================q-point: (-0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( -2.077 13.353 3.911) 14.068 0.766 ( -11.318 11.569 6.386) 17.399 1.144 ( -10.879 15.908 7.068) 20.527 1.255 ( -3.278 1.935 4.269) 5.720 1.385 ( -3.466 2.947 0.209) 4.554 1.606 ( -0.083 -2.741 1.271) 3.022 1.657 ( -1.468 -0.725 -1.620) 2.304 1.700 ( 0.901 -0.502 -1.484) 1.807 1.792 ( -4.240 -7.012 10.733) 13.503 1.845 ( -1.053 0.079 2.663) 2.865 1.939 ( -0.582 -2.972 -1.506) 3.382 2.025 ( 1.490 -0.403 -0.891) 1.782 2.132 ( -2.463 -0.974 -0.150) 2.653 2.217 ( -2.917 0.358 0.283) 2.952 2.251 ( -0.133 1.468 1.544) 2.134 2.369 ( -5.211 0.036 -3.534) 6.296 2.510 ( 6.581 0.808 -8.642) 10.892 3.034 ( 5.595 0.531 -1.704) 5.873 4.855 ( 1.073 -0.001 -1.242) 1.641 4.900 ( -0.279 -2.630 4.213) 4.974 5.265 ( 2.670 0.286 0.222) 2.694 5.346 ( 1.856 -1.189 2.137) 3.070 5.446 ( -0.827 1.069 2.467) 2.813 5.572 ( -2.512 0.172 -1.783) 3.085 5.673 ( -0.173 -1.523 0.207) 1.546 6.007 ( 3.907 -0.696 -4.379) 5.910 7.003 ( -0.065 -0.378 1.387) 1.439 7.184 ( -0.199 0.298 0.100) 0.372 7.698 ( -0.157 0.436 -0.280) 0.541 7.792 ( -0.237 -0.198 -0.753) 0.814 12.816 ( 4.159 -3.718 0.961) 5.660 13.152 ( 8.568 -3.316 1.890) 9.380 13.472 ( 2.492 -6.730 -2.113) 7.481 14.222 ( -1.382 2.843 -2.388) 3.962 17.293 ( -1.869 -1.062 4.810) 5.268 17.453 ( 0.304 2.400 0.488) 2.468 18.483 ( -4.054 -10.588 19.228) 22.321 18.952 ( -0.245 0.765 -0.595) 1.000 19.007 ( -1.915 -4.258 0.971) 4.769 19.132 ( -0.110 -0.528 -2.229) 2.294 21.066 ( 3.774 -0.287 -1.233) 3.981 21.072 ( 0.926 1.114 -2.544) 2.928 45.255 ( 0.361 1.161 1.303) 1.782 45.384 ( 1.237 -1.298 0.521) 1.867 45.610 ( -5.576 2.219 -2.099) 6.358 45.946 ( 2.092 6.387 -1.030) 6.799 98.881 ( -0.186 -0.514 1.495) 1.592 98.929 ( -1.030 -1.466 2.373) 2.973 99.373 ( -0.639 -0.944 0.984) 1.505 99.532 ( 1.502 0.887 0.542) 1.827 99.647 ( 0.044 -0.746 -0.986) 1.238 99.838 ( 10.838 7.087 0.720) 12.969 100.197 ( -1.306 -0.876 2.089) 2.615 100.529 ( -12.939 -2.283 -14.711) 19.725======================= Grid point 74 (29/114) =======================q-point: (-0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.377 ( -3.573 11.390 8.970) 14.932 0.443 ( -9.931 12.576 6.526) 17.302 0.794 ( -11.502 14.378 22.331) 28.943 1.230 ( -1.520 0.922 3.574) 3.992 1.300 ( -4.169 1.666 -0.125) 4.491 1.603 ( -1.144 -1.010 -4.735) 4.974 1.671 ( -0.993 1.418 -1.311) 2.172 1.733 ( 3.563 -2.788 2.937) 5.394 1.809 ( -1.132 1.235 -1.311) 2.128 1.943 ( -7.241 -12.443 10.280) 17.690 2.024 ( 1.060 -4.382 -0.078) 4.509 2.041 ( -1.834 -1.303 -1.967) 2.989 2.090 ( -2.373 -1.686 0.014) 2.911 2.215 ( 2.540 1.348 0.649) 2.948 2.237 ( -0.081 0.993 2.521) 2.711 2.292 ( -5.383 -0.388 -1.389) 5.573 2.538 ( 6.272 0.970 -6.491) 9.078 2.955 ( 2.950 14.330 -7.417) 16.403 4.864 ( 1.350 -0.094 -1.240) 1.835 5.019 ( 0.367 -9.181 5.128) 10.522 5.284 ( 1.112 0.018 1.149) 1.599 5.385 ( 0.659 -0.218 0.606) 0.922 5.447 ( -0.397 -0.418 4.046) 4.087 5.570 ( -0.156 -2.548 -0.206) 2.561 5.668 ( -0.970 1.073 -0.352) 1.488 6.016 ( 3.349 2.523 -6.273) 7.545 7.018 ( 0.014 -0.524 1.503) 1.592 7.171 ( -0.257 0.741 -0.190) 0.807 7.693 ( 0.091 -0.032 -0.365) 0.378 7.782 ( -0.280 0.391 -1.225) 1.316 12.894 ( 0.710 -1.517 0.975) 1.938 13.256 ( 0.442 -1.719 -1.661) 2.430 13.638 ( 6.999 -5.689 2.936) 9.485 14.166 ( 1.619 1.935 -0.920) 2.685 17.311 ( -2.379 -0.890 5.173) 5.763 17.432 ( 1.351 1.491 1.383) 2.442 18.823 ( 0.154 -12.455 5.179) 13.489 18.996 ( 2.528 -8.170 6.498) 10.741 19.105 ( -9.682 -21.308 14.083) 27.315 19.110 ( -0.325 1.274 -1.852) 2.271 21.064 ( 0.619 -0.436 0.269) 0.803 21.115 ( 3.543 -0.450 -0.242) 3.579 45.275 ( -0.431 -3.091 3.716) 4.853 45.418 ( 0.496 -0.885 0.663) 1.212 45.517 ( -2.655 1.573 -1.326) 3.359 45.800 ( 2.115 13.429 -8.487) 16.026 98.914 ( 0.531 -1.387 1.487) 2.102 98.979 ( -3.223 -7.457 5.742) 9.947 99.382 ( -0.596 -0.514 0.082) 0.791 99.533 ( 1.620 1.876 -0.669) 2.567 99.657 ( 0.595 -0.504 -1.123) 1.367 99.817 ( 13.531 15.048 -7.463) 21.569 100.202 ( -3.905 -1.453 -0.095) 4.168 100.289 ( -11.522 2.308 -7.804) 14.106======================= Grid point 76 (30/114) =======================q-point: ( 0.12 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 6.648 -0.000 12.395) 14.066 0.647 ( -2.258 0.000 21.828) 21.945 1.080 ( 20.586 -0.000 13.622) 24.685 1.244 ( 4.630 -0.000 -4.931) 6.764 1.278 ( 2.081 -0.000 5.296) 5.690 1.481 ( -3.078 0.000 -6.132) 6.862 1.692 ( -1.980 0.000 2.385) 3.100 1.705 ( -1.262 0.000 -2.704) 2.984 1.759 ( 5.996 -0.000 1.018) 6.082 1.874 ( -2.278 0.000 -0.462) 2.324 1.884 ( -1.607 0.000 -4.254) 4.547 2.132 ( 3.016 -0.000 -3.169) 4.374 2.170 ( -2.806 0.000 5.622) 6.283 2.237 ( -1.934 0.000 -0.369) 1.969 2.278 ( 0.380 -0.000 -0.467) 0.602 2.381 ( 2.650 -0.000 -2.023) 3.334 2.770 ( -0.761 0.000 6.836) 6.878 2.784 ( 9.135 -0.000 -10.555) 13.959 4.894 ( 0.648 -0.000 -0.154) 0.666 4.911 ( -6.477 0.000 1.996) 6.777 5.303 ( -0.910 0.000 2.411) 2.577 5.314 ( -2.524 0.000 -1.091) 2.750 5.478 ( -1.942 0.000 4.715) 5.099 5.605 ( -1.201 0.000 -1.617) 2.015 5.666 ( 1.099 -0.000 0.740) 1.325 5.949 ( 0.699 -0.000 -3.257) 3.331 7.040 ( -0.622 0.000 2.238) 2.322 7.165 ( 0.688 -0.000 -0.742) 1.013 7.688 ( -0.041 0.000 -0.576) 0.578 7.760 ( 0.447 -0.000 -1.633) 1.694 12.899 ( -2.725 0.000 3.283) 4.266 12.979 ( -8.309 0.000 -2.849) 8.784 13.934 ( -2.610 0.000 6.000) 6.543 14.200 ( -9.360 0.000 -12.054) 15.262 17.301 ( -1.798 0.000 3.660) 4.078 17.532 ( 1.405 -0.000 5.325) 5.507 18.502 ( -20.482 0.000 11.670) 23.573 18.910 ( 4.619 -0.000 -4.155) 6.212 19.057 ( -1.458 0.000 0.875) 1.700 19.093 ( -5.974 0.000 -0.228) 5.978 21.111 ( 2.365 -0.000 0.059) 2.366 21.165 ( -1.267 0.000 2.413) 2.725 45.251 ( -2.667 0.000 2.818) 3.880 45.369 ( -1.448 0.000 1.203) 1.883 45.572 ( 6.427 -0.000 -1.432) 6.585 45.648 ( 9.317 -0.000 1.249) 9.400 98.892 ( -3.858 0.000 3.577) 5.262 98.935 ( -0.580 0.000 1.755) 1.848 99.394 ( 1.465 -0.000 0.167) 1.474 99.416 ( 3.080 -0.000 -0.251) 3.090 99.625 ( 0.723 -0.000 -0.074) 0.727 99.678 ( 1.110 -0.000 -0.723) 1.325 100.162 ( -2.045 0.000 -0.279) 2.064 100.955 ( 12.575 -0.000 -14.848) 19.458======================= Grid point 77 (31/114) =======================q-point: ( 0.25 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( 4.325 -1.864 12.637) 13.486 0.830 ( 3.964 -6.385 14.214) 16.078 1.262 ( 4.440 1.468 -0.169) 4.680 1.314 ( 5.130 -2.253 3.438) 6.574 1.419 ( 1.815 -1.958 -4.233) 5.004 1.438 ( 8.884 -0.908 2.507) 9.276 1.655 ( -0.301 3.733 0.848) 3.840 1.698 ( 3.196 -1.090 0.908) 3.497 1.796 ( 2.879 1.430 1.687) 3.631 1.859 ( 0.452 -1.546 -1.851) 2.454 1.928 ( 1.530 -2.369 0.896) 2.959 2.048 ( -1.686 5.568 1.257) 5.952 2.148 ( 2.899 1.711 -2.057) 3.945 2.228 ( -2.291 -0.114 0.104) 2.297 2.290 ( 1.111 -1.174 -0.230) 1.633 2.422 ( 1.982 -1.467 -2.782) 3.718 2.739 ( 2.305 3.075 -1.831) 4.257 2.855 ( -1.892 -1.821 -0.934) 2.787 4.856 ( -2.693 0.669 0.919) 2.923 4.895 ( 0.158 0.422 0.200) 0.493 5.273 ( -1.659 1.156 -0.314) 2.046 5.309 ( -1.526 -0.443 2.329) 2.819 5.458 ( -1.497 1.428 3.697) 4.237 5.573 ( -1.545 1.168 -2.209) 2.938 5.702 ( 0.038 -2.435 1.088) 2.667 5.949 ( 0.625 -0.756 -3.632) 3.762 7.044 ( -0.923 -0.093 2.728) 2.881 7.167 ( 0.644 0.264 -1.149) 1.344 7.689 ( -0.241 -0.602 -0.585) 0.874 7.759 ( 0.579 -0.104 -1.392) 1.511 12.807 ( -5.709 5.119 1.716) 7.858 12.929 ( -3.952 -1.239 1.458) 4.391 13.791 ( -12.163 8.035 0.164) 14.579 14.085 ( -10.015 -7.163 -6.114) 13.747 17.297 ( -1.282 0.419 3.164) 3.440 17.568 ( 0.573 0.168 5.160) 5.194 18.368 ( -10.214 0.888 9.678) 14.099 18.949 ( 3.698 -0.664 -3.405) 5.071 18.998 ( -2.254 2.484 -0.649) 3.416 19.052 ( -2.795 -0.402 -0.608) 2.888 21.130 ( 1.541 1.234 -0.254) 1.990 21.156 ( 0.013 0.390 1.343) 1.398 45.256 ( -0.408 -0.952 1.741) 2.026 45.380 ( 0.389 -0.327 1.218) 1.319 45.658 ( 4.771 -2.797 -3.080) 6.331 45.786 ( 10.168 -1.972 1.560) 10.475 98.875 ( -1.327 0.080 2.085) 2.473 98.941 ( -0.398 -0.117 2.018) 2.060 99.362 ( 1.127 2.938 -0.016) 3.147 99.491 ( 1.451 -2.256 0.246) 2.694 99.631 ( 0.039 0.180 -0.676) 0.701 99.718 ( 3.077 -2.705 -0.482) 4.125 100.149 ( -1.039 -0.929 -0.293) 1.424 100.935 ( 5.339 5.469 -10.573) 13.046======================= Grid point 78 (32/114) =======================q-point: ( 0.38 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( 5.953 -4.549 7.634) 10.697 1.036 ( 3.851 -5.099 11.137) 12.840 1.291 ( 1.343 0.788 3.745) 4.055 1.384 ( 5.327 0.899 0.932) 5.482 1.414 ( -0.293 0.012 0.158) 0.333 1.488 ( 4.249 2.750 -3.982) 6.440 1.609 ( 1.105 0.970 -0.657) 1.610 1.755 ( 0.320 -0.033 -0.498) 0.593 1.803 ( 0.144 7.446 4.948) 8.942 1.948 ( 1.681 -2.876 -1.504) 3.655 1.963 ( 9.584 -3.345 3.274) 10.665 2.045 ( 0.531 -2.527 0.785) 2.699 2.140 ( -0.025 -0.299 -2.722) 2.738 2.218 ( 0.367 -0.859 1.350) 1.642 2.305 ( -0.436 0.057 -1.234) 1.310 2.439 ( 0.503 -0.298 -3.006) 3.062 2.685 ( 1.539 4.132 -6.034) 7.473 2.808 ( -4.767 2.154 4.175) 6.693 4.835 ( -0.701 -0.132 -0.020) 0.714 4.890 ( 0.144 0.448 0.304) 0.560 5.246 ( 0.387 0.770 0.120) 0.870 5.303 ( -2.322 -0.102 2.643) 3.520 5.448 ( -0.785 0.077 2.682) 2.795 5.516 ( -1.686 1.404 -2.817) 3.570 5.738 ( -0.991 -1.303 0.941) 1.888 5.952 ( 1.027 -0.507 -3.522) 3.703 7.045 ( -1.318 0.302 3.170) 3.446 7.162 ( 0.605 0.199 -1.640) 1.760 7.696 ( -0.399 -1.137 -0.772) 1.431 7.762 ( 0.493 0.031 -0.613) 0.787 12.678 ( -2.705 4.128 0.892) 5.016 12.905 ( -1.838 0.809 1.594) 2.564 13.514 ( -13.596 4.754 -1.711) 14.505 14.114 ( -8.982 -9.934 -1.737) 13.505 17.288 ( -1.119 0.719 3.005) 3.287 17.583 ( -0.254 0.911 3.762) 3.879 18.318 ( -5.934 -0.174 8.378) 10.269 18.932 ( -1.550 1.117 -1.597) 2.490 18.984 ( 0.812 0.243 0.639) 1.062 19.035 ( -0.109 -1.323 -3.591) 3.829 21.102 ( 0.246 2.196 -0.144) 2.215 21.165 ( 2.097 0.728 -1.545) 2.705 45.279 ( 0.194 -1.065 0.842) 1.372 45.387 ( 1.624 1.533 0.801) 2.373 45.726 ( 2.271 -2.061 -3.540) 4.684 45.936 ( 8.376 -1.821 1.783) 8.755 98.874 ( -0.495 -0.207 1.060) 1.189 98.943 ( -0.272 0.656 1.780) 1.916 99.332 ( 0.190 1.310 0.225) 1.342 99.524 ( 0.605 -0.504 0.552) 0.961 99.622 ( -0.210 0.101 -0.897) 0.926 99.810 ( 4.561 -2.578 -0.016) 5.239 100.165 ( -0.358 -1.612 0.302) 1.679 100.825 ( 1.373 6.348 -7.882) 10.213======================= Grid point 79 (33/114) =======================q-point: ( 0.50 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 6.046 -1.785 3.988) 7.460 1.174 ( 0.766 -1.547 8.621) 8.792 1.254 ( -0.680 5.700 3.283) 6.613 1.416 ( -1.192 -1.053 5.805) 6.019 1.442 ( 8.019 2.648 2.924) 8.937 1.508 ( 4.336 -1.109 -2.330) 5.045 1.637 ( 1.036 -0.610 2.498) 2.772 1.685 ( -0.227 5.392 0.923) 5.475 1.756 ( 1.365 0.300 -0.561) 1.506 1.959 ( 0.511 3.108 0.026) 3.150 2.037 ( 0.529 -1.744 -2.196) 2.854 2.087 ( -4.066 0.641 -2.899) 5.035 2.173 ( 2.600 -3.250 2.094) 4.659 2.265 ( -1.257 -0.379 -0.579) 1.435 2.268 ( -1.211 2.348 -3.555) 4.429 2.401 ( -2.501 0.623 -2.415) 3.532 2.593 ( 2.364 4.618 -3.255) 6.125 2.786 ( -0.164 -1.832 4.265) 4.645 4.838 ( 0.140 -0.500 -0.361) 0.633 4.884 ( -0.086 0.500 0.238) 0.560 5.258 ( 3.332 0.550 -0.220) 3.384 5.292 ( -2.330 -0.472 2.813) 3.684 5.459 ( -0.671 -0.810 2.130) 2.376 5.485 ( -0.813 -1.336 -1.899) 2.460 5.721 ( -2.575 1.195 0.164) 2.844 5.957 ( 1.579 -0.310 -3.400) 3.762 7.031 ( -1.435 0.988 2.778) 3.279 7.163 ( 0.594 -0.442 -1.442) 1.621 7.711 ( -0.443 -1.394 -0.433) 1.525 7.761 ( 0.182 0.245 -0.197) 0.363 12.635 ( 2.226 0.662 -0.129) 2.326 12.908 ( 3.949 -0.406 0.066) 3.970 13.337 ( -9.965 -0.269 -0.696) 9.993 14.169 ( -10.551 -9.288 0.413) 14.063 17.278 ( -1.226 0.601 3.387) 3.652 17.568 ( -0.684 1.723 2.035) 2.753 18.306 ( -4.808 -0.694 8.369) 9.677 18.903 ( -1.374 -0.372 -0.746) 1.608 18.981 ( 0.019 0.557 1.047) 1.186 19.058 ( 1.286 -2.144 -3.849) 4.589 21.074 ( 1.366 1.651 -1.428) 2.575 21.156 ( 1.699 1.606 -2.882) 3.712 45.305 ( 0.907 -1.040 0.212) 1.396 45.372 ( 1.927 2.836 0.152) 3.432 45.739 ( -0.554 0.023 -2.723) 2.779 46.039 ( 4.955 -0.162 1.482) 5.175 98.879 ( -0.291 -0.433 0.663) 0.844 98.928 ( -0.295 1.382 1.129) 1.809 99.325 ( -0.438 -0.264 0.871) 1.010 99.536 ( 0.338 -0.024 0.585) 0.676 99.618 ( -0.058 -0.269 -0.816) 0.861 99.898 ( 5.926 -0.673 0.219) 5.968 100.187 ( -0.610 -1.046 0.735) 1.416 100.690 ( -1.980 5.061 -6.632) 8.575======================= Grid point 80 (34/114) =======================q-point: (-0.38 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 3.017 10.326 1.913) 10.926 1.130 ( -2.788 7.470 4.879) 9.348 1.229 ( -1.247 -0.693 5.948) 6.117 1.469 ( 7.003 6.396 3.001) 9.948 1.479 ( -1.479 -3.488 7.493) 8.396 1.586 ( 4.069 -1.831 -1.657) 4.759 1.617 ( 1.525 1.014 4.455) 4.817 1.684 ( -1.309 -0.545 -1.978) 2.434 1.772 ( 0.646 -0.123 2.031) 2.135 1.855 ( -3.432 7.837 -0.801) 8.593 1.968 ( -5.053 2.662 -3.814) 6.867 2.043 ( -2.738 0.209 -1.159) 2.981 2.119 ( -2.389 3.989 0.691) 4.700 2.235 ( -1.297 0.424 1.600) 2.103 2.264 ( 1.674 -1.799 0.050) 2.458 2.356 ( -3.976 0.177 -3.282) 5.159 2.562 ( 4.214 1.813 -6.398) 7.872 2.900 ( 3.058 -5.946 3.153) 7.393 4.848 ( 0.510 -0.447 -0.439) 0.808 4.875 ( -0.385 0.359 0.519) 0.739 5.286 ( 2.586 0.479 0.060) 2.630 5.305 ( 1.454 -0.797 2.036) 2.626 5.467 ( -1.028 -0.015 2.305) 2.524 5.528 ( -0.050 -4.289 -1.517) 4.549 5.651 ( -3.863 2.145 0.291) 4.428 5.969 ( 2.105 -0.774 -3.851) 4.456 7.012 ( -1.060 0.824 2.167) 2.549 7.174 ( 0.398 -0.680 -0.786) 1.113 7.719 ( -0.424 0.059 0.093) 0.438 7.763 ( -0.046 -0.806 -0.533) 0.968 12.701 ( 6.059 -2.410 -0.245) 6.525 13.018 ( 9.384 -3.295 -1.764) 10.101 13.287 ( -5.728 -4.411 1.221) 7.332 14.178 ( -11.603 -6.527 0.594) 13.326 17.274 ( -1.479 0.059 4.226) 4.478 17.534 ( -0.552 2.172 0.942) 2.431 18.315 ( -4.419 -1.769 9.663) 10.771 18.905 ( -1.123 -1.705 -0.145) 2.047 18.978 ( 0.177 0.584 0.426) 0.744 19.092 ( 1.198 -1.883 -2.994) 3.735 21.067 ( 2.049 0.495 -2.137) 3.001 21.127 ( 1.410 1.973 -3.340) 4.127 45.334 ( 0.920 0.519 -0.096) 1.061 45.345 ( 2.369 1.532 0.208) 2.829 45.690 ( -2.491 2.207 -1.642) 3.711 46.065 ( 1.563 1.801 0.016) 2.385 98.889 ( -0.243 -0.508 0.771) 0.955 98.906 ( -0.289 1.099 0.878) 1.436 99.335 ( -0.757 -0.975 1.291) 1.786 99.541 ( 0.202 0.012 0.453) 0.496 99.622 ( 0.154 -0.547 -0.724) 0.920 99.972 ( 7.754 0.924 -0.349) 7.817 100.190 ( -0.941 0.037 1.095) 1.444 100.546 ( -5.515 3.554 -6.201) 9.028======================= Grid point 81 (35/114) =======================q-point: (-0.25 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( 1.946 14.106 5.236) 15.172 0.906 ( -6.412 13.835 2.516) 15.455 1.251 ( -1.629 -0.068 4.937) 5.199 1.411 ( 2.857 11.431 5.288) 12.915 1.430 ( -5.955 10.414 -0.157) 11.998 1.590 ( -0.404 -0.758 2.973) 3.095 1.610 ( -2.580 -0.934 -2.145) 3.482 1.700 ( -3.298 -2.404 7.521) 8.557 1.735 ( 4.673 -0.186 -0.241) 4.683 1.857 ( 0.167 -0.520 1.799) 1.880 1.869 ( -1.572 -0.708 -2.696) 3.200 1.995 ( -2.507 0.150 0.301) 2.530 2.089 ( -2.525 -0.796 1.050) 2.848 2.249 ( 2.765 0.623 2.628) 3.866 2.275 ( -0.421 1.114 -0.820) 1.446 2.290 ( -3.932 -0.283 -2.769) 4.818 2.564 ( 5.964 0.742 -7.479) 9.595 3.029 ( 1.288 -4.659 -0.463) 4.856 4.859 ( 0.753 -0.221 -0.818) 1.134 4.877 ( -0.763 -0.940 1.922) 2.272 5.303 ( 1.118 0.247 0.805) 1.399 5.359 ( 2.736 -0.888 1.065) 3.068 5.459 ( -1.225 0.587 2.127) 2.523 5.545 ( -1.651 0.641 -0.816) 1.950 5.627 ( -1.215 -3.024 0.517) 3.300 5.995 ( 2.269 -1.714 -4.857) 5.628 7.006 ( -0.471 0.005 2.031) 2.084 7.182 ( -0.064 -0.206 -0.359) 0.419 7.707 ( -0.078 0.759 0.098) 0.769 7.775 ( -0.193 -0.899 -1.038) 1.387 12.815 ( 4.568 -2.689 0.264) 5.307 13.147 ( 3.030 -4.131 -5.777) 7.722 13.394 ( 3.782 -7.432 6.595) 10.631 14.153 ( -7.543 -4.284 -0.539) 8.691 17.282 ( -1.806 -0.534 4.997) 5.340 17.498 ( 0.104 2.087 0.993) 2.313 18.369 ( -5.155 -5.078 13.394) 15.224 18.930 ( -0.581 -2.433 -0.889) 2.655 18.965 ( -0.564 0.941 0.578) 1.240 19.115 ( 0.817 -0.977 -2.674) 2.961 21.078 ( 1.256 -0.158 -2.016) 2.380 21.102 ( 2.206 0.996 -2.563) 3.525 45.304 ( 0.947 2.663 0.923) 2.973 45.381 ( 1.480 -1.182 0.223) 1.907 45.608 ( -1.738 3.432 -0.727) 3.914 46.018 ( -0.728 3.292 -3.412) 4.797 98.887 ( -0.129 0.539 1.209) 1.330 98.907 ( -0.643 -0.854 1.295) 1.679 99.351 ( -0.714 -1.121 1.188) 1.783 99.544 ( -0.066 -0.045 0.171) 0.189 99.633 ( 0.499 -0.725 -0.679) 1.112 100.033 ( 6.514 1.363 -4.690) 8.141 100.181 ( -1.054 0.336 1.385) 1.772 100.392 ( -4.224 4.026 -3.267) 6.688======================= Grid point 82 (36/114) =======================q-point: (-0.12 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( -2.656 14.310 4.623) 15.271 0.695 ( 1.999 13.158 10.452) 16.923 1.114 ( -1.627 18.856 13.943) 23.508 1.242 ( -2.514 1.251 3.418) 4.423 1.328 ( 1.043 4.850 0.003) 4.961 1.548 ( -0.649 -0.808 -6.663) 6.743 1.669 ( -2.193 -2.050 2.820) 4.118 1.721 ( -5.860 -2.354 1.739) 6.550 1.768 ( 0.616 -0.980 4.499) 4.645 1.797 ( -2.793 -0.975 -0.293) 2.973 1.947 ( 1.021 -2.601 0.822) 2.913 2.030 ( 3.222 -1.978 1.350) 4.015 2.066 ( -1.538 0.476 -1.809) 2.422 2.224 ( -3.584 -0.741 -0.529) 3.698 2.249 ( 0.316 0.992 0.467) 1.141 2.311 ( 5.338 0.654 1.124) 5.494 2.599 ( 6.460 0.115 -5.346) 8.386 3.052 ( -1.607 1.036 -5.001) 5.354 4.867 ( 0.769 -0.348 -0.866) 1.210 4.910 ( -2.364 -3.464 3.457) 5.435 5.309 ( 0.596 0.758 1.284) 1.606 5.373 ( -2.252 -0.528 -0.373) 2.343 5.444 ( -1.561 0.087 2.091) 2.611 5.555 ( 2.221 -0.953 1.992) 3.132 5.662 ( 0.256 -1.404 -0.447) 1.496 6.016 ( 1.127 -0.914 -6.331) 6.495 7.018 ( -0.104 -0.513 2.150) 2.213 7.176 ( -0.346 0.363 -0.403) 0.644 7.698 ( 0.311 0.465 0.027) 0.560 7.775 ( -0.248 -0.110 -1.604) 1.626 12.876 ( -0.239 -1.692 0.764) 1.872 13.164 ( -4.771 -2.662 -6.337) 8.367 13.632 ( 6.338 -8.031 8.856) 13.531 14.177 ( 1.453 -3.370 -0.886) 3.775 17.295 ( -2.210 -0.740 5.134) 5.638 17.481 ( 1.081 1.478 2.174) 2.842 18.508 ( -10.710 -12.673 18.813) 25.084 18.934 ( -0.241 1.100 -1.275) 1.701 18.968 ( -0.577 -2.644 -0.976) 2.877 19.119 ( 0.179 -0.340 -1.311) 1.366 21.076 ( 1.241 0.453 -1.100) 1.719 21.125 ( 1.542 -1.232 -0.773) 2.119 45.282 ( -0.179 1.537 2.533) 2.968 45.406 ( -0.532 -0.973 0.121) 1.116 45.553 ( 2.644 2.997 0.235) 4.003 45.891 ( -3.455 6.400 -9.108) 11.656 98.893 ( -1.059 -0.982 2.845) 3.191 98.920 ( -0.773 -0.768 1.350) 1.735 99.363 ( -0.859 -0.723 0.465) 1.215 99.538 ( -0.864 0.351 -0.683) 1.156 99.651 ( 0.920 -0.736 -0.570) 1.309 99.906 ( -9.594 6.780 -12.372) 17.061 100.182 ( -0.199 -0.262 2.107) 2.133 100.418 ( 17.526 -0.140 2.395) 17.689======================= Grid point 85 (37/114) =======================q-point: ( 0.25 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 1.972 -0.000 18.650) 18.754 0.885 ( 10.226 -0.000 6.131) 11.923 1.312 ( -3.333 0.000 5.327) 6.284 1.343 ( 7.043 -0.000 -3.465) 7.849 1.402 ( 3.431 -0.000 -3.192) 4.686 1.564 ( 5.864 -0.000 0.752) 5.912 1.700 ( 2.258 -0.000 -0.267) 2.274 1.756 ( 5.120 -0.000 1.895) 5.459 1.821 ( 0.021 -0.000 -3.104) 3.104 1.892 ( 6.982 -0.000 5.374) 8.811 1.911 ( 4.251 -0.000 0.797) 4.325 2.121 ( -2.951 0.000 -1.886) 3.502 2.161 ( -0.546 0.000 0.804) 0.972 2.183 ( 0.969 -0.000 -3.897) 4.016 2.287 ( 0.847 -0.000 -0.335) 0.911 2.428 ( 3.125 -0.000 -2.554) 4.035 2.796 ( 0.987 -0.000 -8.629) 8.686 2.799 ( -2.831 0.000 7.476) 7.994 4.837 ( -1.760 0.000 0.440) 1.814 4.902 ( 0.212 -0.000 -0.124) 0.246 5.277 ( 0.560 -0.000 -0.965) 1.116 5.297 ( -2.006 0.000 3.156) 3.740 5.467 ( -2.338 0.000 3.573) 4.270 5.563 ( -1.130 0.000 -1.320) 1.738 5.667 ( -1.627 0.000 0.532) 1.712 5.933 ( 0.727 -0.000 -3.453) 3.528 7.043 ( -1.177 0.000 2.624) 2.876 7.172 ( 0.636 -0.000 -1.213) 1.369 7.678 ( -0.404 0.000 -0.344) 0.531 7.757 ( 0.542 -0.000 -1.404) 1.505 12.846 ( -2.336 0.000 1.876) 2.996 12.864 ( -3.882 0.000 6.359) 7.451 13.717 ( -20.306 0.000 -11.234) 23.207 13.782 ( -13.334 0.000 1.386) 13.406 17.303 ( -0.617 0.000 2.445) 2.522 17.596 ( -0.297 0.000 4.880) 4.889 18.317 ( -6.591 0.000 7.325) 9.854 18.971 ( 3.754 -0.000 -3.966) 5.461 18.972 ( -4.295 0.000 -1.012) 4.412 19.022 ( -2.347 0.000 0.960) 2.535 21.153 ( -1.610 0.000 2.212) 2.736 21.171 ( 3.269 -0.000 -1.634) 3.655 45.261 ( 1.048 -0.000 1.125) 1.537 45.404 ( 2.651 -0.000 2.204) 3.447 45.681 ( 4.578 -0.000 -2.399) 5.169 45.899 ( 10.809 -0.000 1.049) 10.859 98.874 ( -0.706 0.000 1.699) 1.840 98.946 ( -0.020 0.000 1.956) 1.956 99.412 ( -0.245 0.000 0.211) 0.323 99.489 ( 2.777 -0.000 0.349) 2.799 99.647 ( 1.274 -0.000 -0.526) 1.379 99.710 ( 2.641 -0.000 -1.088) 2.856 100.131 ( -0.140 0.000 -0.194) 0.239 100.967 ( 1.528 -0.000 -10.341) 10.453======================= Grid point 86 (38/114) =======================q-point: ( 0.38 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( 5.435 -1.084 12.625) 13.788 1.068 ( 7.643 -3.723 6.398) 10.641 1.289 ( -3.729 -0.640 4.405) 5.807 1.429 ( 3.775 -0.531 0.708) 3.878 1.444 ( 5.762 -1.650 -0.543) 6.018 1.560 ( 0.874 3.036 -2.030) 3.755 1.691 ( 3.038 5.169 -0.498) 6.016 1.748 ( 0.432 -0.470 0.091) 0.645 1.894 ( 3.292 -4.215 -1.890) 5.673 1.972 ( -1.607 -3.896 -0.899) 4.310 1.998 ( 2.926 7.000 1.810) 7.800 2.075 ( 10.507 -0.679 4.102) 11.300 2.139 ( -0.734 2.925 -3.526) 4.640 2.199 ( 0.392 -1.909 0.408) 1.991 2.299 ( 0.532 -0.113 -1.063) 1.194 2.445 ( 2.309 0.586 -3.258) 4.037 2.725 ( -0.461 2.656 -5.715) 6.319 2.798 ( -4.396 0.480 4.601) 6.382 4.826 ( -0.382 -0.138 -0.161) 0.437 4.899 ( 0.104 0.343 -0.235) 0.429 5.274 ( 0.900 0.880 1.013) 1.616 5.292 ( -0.822 0.188 1.564) 1.777 5.455 ( -1.412 0.395 2.683) 3.057 5.519 ( -1.448 2.183 -1.314) 2.931 5.679 ( -2.808 -3.050 0.503) 4.176 5.934 ( 0.932 -0.847 -3.501) 3.721 7.042 ( -1.523 -0.135 2.809) 3.199 7.168 ( 0.602 0.416 -1.537) 1.702 7.675 ( -0.467 -0.425 -0.401) 0.748 7.761 ( 0.439 -0.330 -0.774) 0.949 12.759 ( -0.495 5.976 3.899) 7.153 12.909 ( -0.047 -1.423 4.766) 4.975 13.380 ( -17.607 3.757 -6.470) 19.131 13.752 ( -16.235 -12.628 -1.972) 20.662 17.303 ( -0.429 0.611 2.173) 2.298 17.604 ( -1.128 0.454 3.266) 3.485 18.291 ( -4.283 -0.207 6.787) 8.028 18.917 ( -2.790 0.704 -0.558) 2.931 18.995 ( 0.530 -1.174 -4.370) 4.556 19.003 ( 0.069 0.416 2.001) 2.045 21.131 ( -0.853 1.311 0.445) 1.626 21.193 ( 2.693 0.490 -2.500) 3.707 45.282 ( 1.394 -0.307 0.600) 1.548 45.441 ( 2.868 0.991 1.690) 3.473 45.722 ( 3.062 -0.636 -2.319) 3.893 46.022 ( 8.665 -0.450 0.626) 8.699 98.875 ( -0.236 0.041 1.071) 1.098 98.955 ( -0.074 0.151 1.748) 1.756 99.376 ( -0.096 2.726 0.077) 2.729 99.524 ( 0.953 -0.681 0.390) 1.234 99.635 ( 0.893 1.518 -0.758) 1.918 99.791 ( 3.734 -4.558 -1.124) 5.999 100.144 ( 0.370 -0.963 0.786) 1.298 100.890 ( 0.098 4.543 -8.409) 9.559======================= Grid point 87 (39/114) =======================q-point: ( 0.50 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 5.241 -2.148 8.097) 9.881 1.205 ( 3.455 -1.436 4.494) 5.848 1.295 ( -3.607 -1.680 5.775) 7.013 1.422 ( -2.153 3.395 5.695) 6.971 1.524 ( 4.025 0.156 -4.851) 6.306 1.583 ( 7.978 -2.396 2.721) 8.763 1.647 ( 0.744 1.617 -0.330) 1.810 1.777 ( 3.537 0.637 0.916) 3.709 1.873 ( 1.562 7.644 -0.316) 7.809 1.984 ( -0.982 -1.931 -1.662) 2.731 2.004 ( -0.333 0.026 -3.608) 3.624 2.050 ( 0.477 3.159 -1.986) 3.762 2.172 ( 1.463 -0.553 2.602) 3.035 2.240 ( -0.450 0.098 1.760) 1.819 2.298 ( 3.122 0.571 -2.475) 4.025 2.410 ( -0.515 3.323 -2.936) 4.464 2.649 ( -0.628 2.775 -4.394) 5.235 2.766 ( -2.419 -0.861 4.054) 4.799 4.831 ( 0.347 -0.472 -0.328) 0.672 4.891 ( -0.116 0.444 -0.367) 0.588 5.270 ( -2.525 -0.231 3.008) 3.933 5.308 ( 4.675 0.234 -0.375) 4.696 5.446 ( -0.627 0.120 0.157) 0.657 5.475 ( -1.094 0.720 1.162) 1.751 5.681 ( -3.930 -1.289 -0.229) 4.143 5.946 ( 1.259 -0.951 -3.497) 3.837 7.035 ( -1.937 0.278 2.794) 3.411 7.162 ( 0.854 0.180 -1.750) 1.956 7.682 ( -0.263 -1.130 -0.335) 1.207 7.765 ( 0.137 0.020 -0.026) 0.141 12.705 ( 3.388 3.301 1.942) 5.113 12.967 ( 5.462 -0.458 2.460) 6.008 13.171 ( -12.282 -1.840 -2.861) 12.744 13.796 ( -16.902 -14.695 -0.481) 22.402 17.295 ( -0.707 0.927 2.591) 2.842 17.588 ( -1.482 0.954 1.369) 2.232 18.286 ( -3.556 -0.367 7.326) 8.152 18.885 ( -1.457 0.226 0.379) 1.522 18.987 ( -0.873 -0.436 0.128) 0.984 19.029 ( 2.153 -1.048 -2.155) 3.221 21.100 ( -0.080 1.287 -1.589) 2.046 21.189 ( 1.964 1.453 -3.487) 4.257 45.307 ( 1.489 -0.587 0.193) 1.612 45.444 ( 2.027 2.463 0.379) 3.212 45.740 ( 1.305 0.639 -1.142) 1.848 46.100 ( 4.662 0.537 -0.087) 4.694 98.877 ( -0.079 -0.057 0.738) 0.745 98.949 ( -0.441 0.946 1.130) 1.538 99.340 ( 0.056 1.562 0.624) 1.683 99.537 ( 0.045 -0.223 0.251) 0.339 99.622 ( 0.694 0.739 -0.506) 1.133 99.906 ( 3.806 -4.356 -1.913) 6.093 100.171 ( 0.082 -1.008 1.680) 1.961 100.751 ( -0.591 7.072 -6.345) 9.520======================= Grid point 88 (40/114) =======================q-point: (-0.38 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 2.230 1.580 2.339) 3.598 1.237 ( -1.279 1.253 4.870) 5.189 1.258 ( -1.912 6.220 3.354) 7.321 1.405 ( -4.844 -3.849 10.312) 12.025 1.584 ( 3.674 -2.070 -1.810) 4.589 1.621 ( 1.067 0.953 -1.157) 1.840 1.720 ( 5.179 1.962 1.176) 5.662 1.765 ( 4.232 8.778 0.185) 9.747 1.778 ( -0.425 1.631 -0.586) 1.784 1.873 ( -4.470 0.432 -4.210) 6.156 1.984 ( 0.010 3.668 1.649) 4.022 2.034 ( 1.263 1.858 -0.430) 2.287 2.176 ( -3.226 5.268 1.348) 6.322 2.217 ( -0.062 -2.913 0.964) 3.069 2.292 ( 2.053 3.168 0.197) 3.781 2.326 ( -1.745 1.646 -2.423) 3.409 2.593 ( 1.807 1.326 -5.715) 6.139 2.827 ( -0.720 -5.482 2.489) 6.063 4.844 ( 0.516 -0.569 -0.186) 0.790 4.878 ( -0.389 0.475 -0.371) 0.717 5.269 ( -1.854 -1.162 2.528) 3.344 5.365 ( 5.405 0.334 -0.804) 5.475 5.462 ( 0.035 -2.432 0.779) 2.553 5.469 ( -0.862 -0.474 1.725) 1.986 5.631 ( -4.207 1.199 -0.538) 4.408 5.958 ( 1.456 -0.728 -3.884) 4.212 7.018 ( -1.818 0.518 2.406) 3.060 7.167 ( 0.909 -0.369 -1.408) 1.716 7.701 ( -0.089 -1.328 -0.078) 1.333 7.762 ( 0.043 0.441 0.140) 0.464 12.749 ( 6.296 -0.497 0.720) 6.356 13.029 ( -1.885 -2.652 -2.489) 4.096 13.174 ( 3.832 -5.056 3.221) 7.115 13.848 ( -14.588 -13.215 -0.467) 19.689 17.284 ( -1.210 0.656 3.553) 3.810 17.556 ( -1.228 1.217 0.288) 1.753 18.294 ( -3.242 -0.757 8.599) 9.221 18.879 ( -0.561 -0.444 0.969) 1.205 18.990 ( 0.009 -0.043 0.465) 0.467 19.063 ( 1.902 -1.462 -2.439) 3.421 21.076 ( 0.282 0.407 -2.961) 3.002 21.161 ( 1.522 1.920 -3.896) 4.602 45.337 ( 1.203 -0.878 0.057) 1.490 45.413 ( 0.958 2.920 -0.325) 3.090 45.719 ( 0.647 2.726 0.309) 2.819 46.104 ( 0.567 2.001 -1.611) 2.631 98.883 ( -0.070 -0.317 0.840) 0.901 98.928 ( -0.497 1.287 0.664) 1.531 99.330 ( -0.178 0.252 1.402) 1.435 99.539 ( -0.328 -0.198 0.037) 0.385 99.621 ( 0.652 0.136 -0.220) 0.702 99.994 ( 2.181 -3.269 -4.161) 5.723 100.191 ( -0.130 -0.262 2.311) 2.330 100.593 ( 0.045 7.763 -3.841) 8.661======================= Grid point 89 (41/114) =======================q-point: (-0.25 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( -3.857 11.384 0.441) 12.028 1.105 ( 0.114 9.114 4.327) 10.089 1.238 ( -3.405 -0.640 4.622) 5.776 1.462 ( -3.673 0.346 3.416) 5.028 1.545 ( -6.430 2.071 -0.811) 6.804 1.589 ( -2.836 1.663 -1.341) 3.551 1.619 ( 1.751 2.789 -0.696) 3.366 1.730 ( 0.246 -0.311 1.022) 1.096 1.800 ( 3.103 6.682 4.592) 8.681 1.848 ( -2.210 0.812 1.179) 2.633 1.922 ( 6.422 4.454 0.596) 7.838 2.014 ( 0.952 1.329 2.186) 2.730 2.086 ( 0.085 2.912 1.736) 3.391 2.227 ( -3.303 0.690 -1.733) 3.793 2.267 ( -0.031 -1.568 -0.851) 1.784 2.322 ( 3.733 1.229 1.228) 4.117 2.592 ( 4.516 -0.363 -6.958) 8.303 2.917 ( -3.565 -6.500 0.231) 7.417 4.858 ( 0.586 -0.444 -0.224) 0.768 4.867 ( -0.605 0.012 0.290) 0.671 5.288 ( -1.398 -1.793 1.775) 2.884 5.389 ( 0.867 1.370 -0.578) 1.722 5.465 ( -1.167 0.150 2.262) 2.550 5.542 ( 1.412 -4.391 0.616) 4.654 5.570 ( -0.731 1.401 -0.052) 1.581 5.969 ( 1.380 -1.064 -4.594) 4.913 7.007 ( -1.142 -0.052 2.299) 2.567 7.176 ( 0.484 -0.279 -0.941) 1.094 7.715 ( 0.019 -0.143 0.204) 0.250 7.759 ( 0.201 -0.148 -0.590) 0.641 12.817 ( 0.010 -1.515 0.785) 1.706 13.052 ( 0.192 -3.597 -5.509) 6.582 13.357 ( 2.586 -7.479 8.072) 11.304 13.940 ( -2.379 -10.795 -2.587) 11.352 17.281 ( -1.710 0.040 4.462) 4.779 17.528 ( -0.476 1.087 0.523) 1.297 18.321 ( -3.649 -1.768 10.738) 11.478 18.895 ( 0.104 -1.198 0.598) 1.343 18.985 ( 0.148 0.994 0.439) 1.096 19.092 ( 1.287 -1.142 -2.924) 3.393 21.067 ( 0.241 -0.715 -3.182) 3.270 21.131 ( 1.568 1.440 -3.337) 3.958 45.354 ( 0.308 0.780 0.364) 0.914 45.377 ( -0.433 0.800 -0.116) 0.918 45.679 ( 2.469 3.993 1.403) 4.900 46.035 ( -2.169 3.243 -4.200) 5.732 98.893 ( -0.144 -0.519 1.067) 1.195 98.906 ( -0.444 0.947 0.797) 1.315 99.338 ( -0.353 -0.513 1.815) 1.919 99.538 ( -0.559 -0.196 -0.218) 0.631 99.630 ( 0.816 -0.325 0.056) 0.880 99.998 ( -3.704 -0.460 -7.769) 8.619 100.198 ( -0.276 0.515 2.375) 2.446 100.495 ( 6.064 5.181 -0.435) 7.988======================= Grid point 90 (42/114) =======================q-point: (-0.12 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( -1.759 12.356 2.040) 12.646 0.960 ( 0.019 11.019 9.254) 14.390 1.215 ( -3.011 0.860 2.004) 3.718 1.353 ( -1.971 4.042 1.580) 4.766 1.469 ( -2.584 2.579 -3.519) 5.071 1.541 ( -2.618 2.342 -1.920) 4.003 1.604 ( -1.635 0.253 8.377) 8.539 1.720 ( 2.647 6.088 4.633) 8.095 1.752 ( 0.052 0.279 2.511) 2.527 1.770 ( -2.749 1.008 -1.155) 3.148 1.984 ( 5.531 0.102 1.777) 5.810 2.042 ( 0.737 -0.560 -0.191) 0.945 2.064 ( 0.752 1.357 -0.432) 1.611 2.194 ( 0.034 0.027 0.226) 0.230 2.269 ( 0.751 0.261 0.060) 0.797 2.370 ( 4.608 -0.159 -0.093) 4.612 2.630 ( 4.803 -1.057 -5.673) 7.508 2.953 ( -6.422 -4.629 -1.637) 8.084 4.861 ( -0.367 -0.239 -0.187) 0.476 4.874 ( -0.356 -0.729 1.016) 1.300 5.305 ( -2.233 -1.656 0.636) 2.852 5.342 ( -2.561 1.616 0.826) 3.139 5.452 ( -0.908 1.066 1.906) 2.365 5.568 ( 0.014 -0.997 -0.639) 1.184 5.639 ( 3.628 -2.740 1.383) 4.752 5.979 ( 0.838 -1.202 -5.087) 5.294 7.016 ( -0.514 -0.692 2.603) 2.742 7.175 ( 0.012 0.241 -0.868) 0.900 7.713 ( 0.352 0.566 0.398) 0.776 7.761 ( 0.146 -0.302 -1.553) 1.589 12.815 ( -5.519 -2.498 0.365) 6.069 13.050 ( -3.412 -0.825 -4.930) 6.052 13.558 ( -0.978 -10.299 8.503) 13.392 14.115 ( 7.257 -6.415 -3.238) 10.213 17.284 ( -2.077 -0.410 4.669) 5.126 17.518 ( 0.454 0.601 1.957) 2.097 18.369 ( -6.109 -3.370 13.170) 14.904 18.924 ( 0.612 -1.775 -0.738) 2.017 18.966 ( 0.728 1.740 -0.400) 1.928 19.099 ( 0.011 -0.503 -2.815) 2.859 21.074 ( 0.385 -1.285 -2.295) 2.659 21.122 ( 1.434 0.135 -1.861) 2.353 45.323 ( -0.610 2.339 1.531) 2.861 45.374 ( -1.631 -1.207 -0.089) 2.031 45.667 ( 5.552 3.724 1.925) 6.957 45.911 ( -2.783 4.961 -6.931) 8.966 98.892 ( -0.802 0.539 1.466) 1.756 98.909 ( -0.086 -0.806 1.213) 1.459 99.349 ( -0.766 -0.324 1.330) 1.569 99.530 ( -0.702 0.114 -0.524) 0.883 99.649 ( 0.860 -0.552 0.234) 1.048 99.859 ( -6.235 3.987 -7.409) 10.472 100.192 ( -0.510 0.791 1.957) 2.172 100.571 ( 12.145 -1.556 -0.898) 12.277======================= Grid point 94 (43/114) =======================q-point: ( 0.38 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( 3.219 -0.000 14.659) 15.009 1.153 ( 8.660 -0.000 2.864) 9.121 1.252 ( -5.659 0.000 6.315) 8.479 1.480 ( 5.852 -0.000 0.814) 5.909 1.482 ( 2.877 -0.000 1.318) 3.165 1.578 ( -0.402 0.000 -2.074) 2.113 1.758 ( -1.166 0.000 -0.265) 1.196 1.797 ( 1.154 -0.000 -2.174) 2.461 1.806 ( 0.881 -0.000 0.671) 1.108 1.918 ( 0.211 -0.000 -3.229) 3.236 2.102 ( 1.847 -0.000 2.117) 2.810 2.163 ( -0.712 0.000 -2.494) 2.594 2.165 ( 3.217 -0.000 -1.252) 3.452 2.237 ( 10.251 -0.000 3.408) 10.802 2.303 ( 1.341 -0.000 -1.359) 1.909 2.463 ( 2.686 -0.000 -4.580) 5.309 2.695 ( -2.875 0.000 -6.607) 7.206 2.779 ( -4.126 0.000 5.204) 6.641 4.822 ( 0.215 -0.000 -0.392) 0.447 4.900 ( -0.060 0.000 -0.796) 0.799 5.274 ( -2.606 0.000 3.273) 4.184 5.327 ( 4.481 -0.000 -0.997) 4.590 5.454 ( -1.287 0.000 2.757) 3.043 5.528 ( -1.003 0.000 -0.745) 1.249 5.602 ( -4.445 0.000 0.538) 4.478 5.919 ( 1.105 -0.000 -3.604) 3.770 7.036 ( -1.510 0.000 2.535) 2.950 7.171 ( 0.459 -0.000 -1.468) 1.538 7.666 ( -0.484 0.000 0.063) 0.489 7.759 ( 0.634 -0.000 -0.721) 0.960 12.854 ( -3.434 0.000 7.515) 8.262 12.917 ( 5.775 -0.000 4.153) 7.113 13.208 ( -13.521 0.000 -7.403) 15.415 13.408 ( -17.754 0.000 -2.363) 17.911 17.315 ( -0.143 0.000 1.603) 1.610 17.602 ( -1.960 0.000 1.602) 2.531 18.280 ( -3.071 0.000 6.510) 7.197 18.894 ( -1.896 0.000 0.377) 1.933 18.965 ( -0.829 0.000 -2.686) 2.811 19.024 ( 1.412 -0.000 1.562) 2.105 21.128 ( -1.408 0.000 -0.772) 1.606 21.214 ( 2.460 -0.000 -3.597) 4.358 45.298 ( 1.299 -0.000 0.386) 1.356 45.488 ( 2.096 -0.000 0.927) 2.292 45.745 ( 3.152 -0.000 -0.828) 3.259 46.109 ( 6.602 -0.000 -0.438) 6.617 98.878 ( -0.124 0.000 0.874) 0.883 98.963 ( -0.101 0.000 1.357) 1.361 99.393 ( -1.035 0.000 -0.089) 1.039 99.530 ( 0.690 -0.000 -0.060) 0.693 99.669 ( 1.244 -0.000 -0.853) 1.509 99.770 ( 3.147 -0.000 -1.694) 3.574 100.149 ( 0.605 -0.000 1.939) 2.031 100.894 ( 0.523 -0.000 -7.674) 7.691======================= Grid point 95 (44/114) =======================q-point: ( 0.50 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 0.751 -0.960 9.035) 9.117 1.230 ( -2.336 -1.260 7.226) 7.698 1.254 ( 0.687 -0.846 5.879) 5.979 1.492 ( -0.201 2.870 4.709) 5.518 1.554 ( 3.291 0.748 -4.593) 5.700 1.587 ( 2.676 -4.566 1.356) 5.463 1.678 ( -1.541 2.194 -0.892) 2.826 1.810 ( -3.871 -0.760 -3.576) 5.325 1.844 ( 3.890 -0.437 2.669) 4.738 1.968 ( 3.577 -4.114 -2.502) 5.998 2.092 ( 2.381 4.963 -0.300) 5.513 2.107 ( -0.138 3.578 -1.257) 3.795 2.186 ( 0.256 0.506 1.254) 1.376 2.282 ( -0.223 1.758 1.150) 2.112 2.342 ( 5.134 0.679 -2.683) 5.833 2.447 ( 1.093 2.290 -5.091) 5.688 2.639 ( -0.811 0.308 -4.103) 4.193 2.746 ( -3.770 0.452 3.321) 5.045 4.828 ( 0.585 -0.281 -0.342) 0.733 4.892 ( -0.245 0.222 -1.146) 1.193 5.257 ( -2.465 0.192 2.944) 3.845 5.372 ( 5.561 0.688 -0.648) 5.640 5.449 ( -1.331 0.572 1.878) 2.372 5.482 ( -1.641 1.713 0.501) 2.425 5.598 ( -3.487 -3.137 -0.271) 4.698 5.926 ( 1.368 -0.959 -3.568) 3.940 7.029 ( -1.688 0.150 2.330) 2.881 7.167 ( 0.655 0.215 -1.532) 1.680 7.666 ( -0.130 -0.499 0.211) 0.557 7.767 ( 0.559 -0.170 -0.152) 0.604 12.809 ( -1.437 2.642 3.895) 4.921 12.977 ( -2.428 1.558 -1.208) 3.128 13.088 ( 3.783 -0.445 1.579) 4.124 13.356 ( -14.510 -13.746 -1.474) 20.041 17.314 ( -0.399 0.738 1.786) 1.973 17.578 ( -2.268 0.190 -0.218) 2.287 18.281 ( -2.651 -0.143 7.053) 7.536 18.884 ( -0.281 0.332 1.526) 1.587 18.955 ( -0.404 -1.106 -2.089) 2.398 19.049 ( 1.909 0.147 1.692) 2.555 21.098 ( -1.300 0.594 -2.738) 3.089 21.211 ( 1.612 0.841 -4.431) 4.789 45.314 ( 0.847 -0.357 0.276) 0.960 45.489 ( 0.107 1.259 -0.912) 1.559 45.776 ( 2.708 0.720 1.197) 3.048 46.153 ( 2.695 0.800 -1.416) 3.148 98.880 ( -0.110 0.033 0.761) 0.769 98.960 ( -0.663 0.499 0.693) 1.081 99.370 ( -0.206 1.474 0.328) 1.524 99.533 ( -0.183 -0.138 -0.417) 0.476 99.653 ( 0.952 1.901 -0.412) 2.165 99.842 ( 1.781 -4.791 -2.814) 5.835 100.170 ( 0.161 -0.564 2.823) 2.883 100.832 ( 1.725 4.696 -6.213) 7.977======================= Grid point 96 (45/114) =======================q-point: (-0.38 -0.62 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( -6.040 -2.120 5.868) 8.684 1.257 ( -1.815 1.749 1.310) 2.841 1.299 ( -0.745 -1.943 9.268) 9.499 1.423 ( -2.212 5.190 6.333) 8.482 1.593 ( 3.939 -0.858 -1.348) 4.251 1.602 ( -5.073 -1.345 -2.975) 6.033 1.718 ( -3.356 0.497 0.693) 3.463 1.742 ( 1.872 -1.699 -2.508) 3.561 1.904 ( 3.523 1.820 1.709) 4.318 1.967 ( 1.701 8.301 -3.662) 9.230 2.044 ( 1.008 2.817 -0.015) 2.992 2.069 ( 1.809 -2.075 -0.852) 2.881 2.182 ( -0.766 -0.095 3.492) 3.576 2.232 ( -2.184 2.728 1.248) 3.711 2.336 ( -0.821 2.196 -3.502) 4.215 2.378 ( 2.552 3.269 -2.440) 4.812 2.614 ( 2.541 1.991 -3.664) 4.883 2.740 ( -2.996 -2.854 1.340) 4.350 4.840 ( 0.522 -0.471 -0.023) 0.703 4.877 ( -0.434 0.327 -1.246) 1.360 5.246 ( -1.837 -0.419 2.420) 3.067 5.423 ( -0.856 0.323 0.323) 0.971 5.428 ( 3.087 -0.566 0.732) 3.223 5.462 ( -1.220 -0.106 1.689) 2.086 5.603 ( -0.736 -0.791 -1.032) 1.494 5.942 ( 1.433 -0.901 -3.740) 4.105 7.014 ( -1.742 0.416 1.949) 2.647 7.168 ( 0.920 -0.075 -1.399) 1.676 7.682 ( 0.304 -1.076 0.396) 1.186 7.772 ( 0.434 0.276 0.245) 0.570 12.785 ( -3.290 -0.587 1.489) 3.659 12.955 ( 3.796 -1.187 -0.782) 4.053 13.170 ( -1.794 -3.288 2.962) 4.775 13.502 ( 1.182 -13.719 -1.253) 13.827 17.301 ( -0.995 0.994 2.645) 2.996 17.547 ( -1.911 0.106 -1.132) 2.224 18.293 ( -2.449 -0.391 8.276) 8.639 18.887 ( 0.615 0.522 2.098) 2.248 18.971 ( 0.198 -1.549 -1.292) 2.027 19.077 ( 2.321 0.251 0.903) 2.503 21.060 ( -0.981 0.258 -4.130) 4.253 21.184 ( 0.977 1.387 -4.769) 5.062 45.331 ( 0.005 -0.719 0.299) 0.779 45.448 ( -1.155 1.808 -1.617) 2.686 45.789 ( 2.341 2.165 2.514) 4.061 46.126 ( -1.282 2.047 -2.704) 3.626 98.883 ( -0.145 -0.107 0.974) 0.990 98.941 ( -0.858 0.848 0.219) 1.227 99.349 ( 0.015 1.255 1.235) 1.761 99.529 ( -0.584 -0.257 -0.620) 0.890 99.637 ( 0.626 0.902 0.176) 1.112 99.911 ( -0.608 -4.169 -4.908) 6.469 100.194 ( -0.352 -0.583 3.127) 3.200 100.731 ( 3.647 7.328 -4.217) 9.207======================= Grid point 97 (46/114) =======================q-point: (-0.25 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -5.664 3.877 -0.498) 6.881 1.172 ( -6.967 -1.389 5.113) 8.753 1.268 ( -0.325 6.596 4.495) 7.989 1.418 ( -2.901 -2.101 8.606) 9.322 1.488 ( -8.564 2.710 -5.659) 10.617 1.597 ( -0.509 2.643 -1.047) 2.887 1.670 ( 0.584 2.217 1.654) 2.827 1.747 ( -2.722 3.174 1.726) 4.524 1.846 ( -1.768 0.603 2.602) 3.203 1.901 ( 2.165 3.185 -2.875) 4.806 2.040 ( 3.026 0.669 1.367) 3.387 2.086 ( 0.745 1.956 -0.551) 2.164 2.199 ( -1.441 -1.846 -0.808) 2.477 2.209 ( 3.984 3.113 3.201) 5.984 2.248 ( 1.194 3.404 -2.153) 4.201 2.386 ( 3.083 0.353 -0.258) 3.114 2.602 ( 3.390 1.033 -5.014) 6.140 2.763 ( -5.360 -4.628 0.628) 7.109 4.854 ( 0.230 -0.580 0.434) 0.761 4.863 ( -0.275 0.133 -1.028) 1.072 5.251 ( -1.547 -1.169 1.391) 2.387 5.388 ( -4.941 -0.055 1.163) 5.076 5.463 ( 0.239 0.018 1.252) 1.275 5.494 ( 2.217 -1.985 1.560) 3.359 5.612 ( 3.115 0.390 -1.203) 3.362 5.950 ( 1.334 -0.489 -4.202) 4.435 7.001 ( -1.284 -0.019 1.766) 2.183 7.175 ( 0.741 -0.201 -1.001) 1.261 7.707 ( 0.374 -0.939 0.336) 1.065 7.769 ( 0.520 0.727 0.060) 0.895 12.749 ( -6.237 -1.230 0.706) 6.396 13.058 ( 7.686 1.010 -2.281) 8.080 13.198 ( -9.582 -9.782 4.969) 14.567 13.808 ( 14.577 -11.209 -2.195) 18.519 17.286 ( -1.583 0.620 3.565) 3.949 17.526 ( -1.087 -0.205 -0.657) 1.286 18.315 ( -2.833 -0.640 9.945) 10.360 18.899 ( 1.099 0.270 1.649) 2.000 18.988 ( -0.205 -0.651 -0.296) 0.744 19.097 ( 2.240 0.510 -1.060) 2.530 21.034 ( -0.462 -0.692 -4.314) 4.393 21.150 ( 0.921 1.127 -4.316) 4.555 45.336 ( -1.611 -0.839 0.094) 1.819 45.398 ( -1.104 1.769 -0.774) 2.224 45.788 ( 3.302 2.968 3.105) 5.418 46.038 ( -3.404 2.909 -4.331) 6.230 98.889 ( -0.294 -0.318 1.161) 1.239 98.919 ( -0.618 0.833 0.272) 1.072 99.342 ( -0.210 0.308 2.098) 2.130 99.524 ( -0.596 -0.343 -0.649) 0.946 99.638 ( 0.616 0.049 0.647) 0.895 99.906 ( -3.626 -1.155 -6.499) 7.531 100.208 ( -0.669 -0.092 2.553) 2.641 100.654 ( 6.275 5.903 -2.497) 8.970======================= Grid point 98 (47/114) =======================q-point: (-0.12 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( -4.279 7.317 -0.147) 8.478 1.139 ( -2.045 4.652 6.093) 7.934 1.207 ( -2.198 1.009 5.358) 5.878 1.342 ( -4.539 1.709 -2.008) 5.249 1.426 ( -4.016 0.151 1.945) 4.465 1.529 ( -2.810 2.020 2.343) 4.179 1.627 ( -1.945 1.985 5.379) 6.055 1.733 ( 0.819 -0.593 -0.587) 1.169 1.760 ( -3.945 3.018 -0.859) 5.040 1.915 ( 1.464 0.701 1.410) 2.150 2.049 ( 1.300 0.037 -0.476) 1.385 2.103 ( 3.210 0.922 1.053) 3.502 2.139 ( 6.105 8.113 -0.179) 10.155 2.202 ( 0.693 1.010 -1.536) 1.965 2.276 ( 1.499 -1.072 2.372) 3.004 2.426 ( 4.558 0.047 -1.062) 4.680 2.603 ( 0.066 -2.233 -6.923) 7.274 2.781 ( -6.238 -4.666 1.867) 8.010 4.854 ( -0.405 0.053 -0.346) 0.535 4.869 ( 0.205 -0.502 0.416) 0.684 5.253 ( -2.349 -1.098 -0.050) 2.594 5.340 ( -3.445 0.510 2.374) 4.215 5.466 ( -0.664 0.415 2.056) 2.200 5.539 ( 0.765 -0.578 -1.211) 1.545 5.659 ( 3.687 -1.580 0.642) 4.063 5.953 ( 1.278 -0.615 -4.319) 4.546 7.007 ( -0.722 -0.878 2.126) 2.411 7.177 ( 0.273 0.234 -0.825) 0.900 7.722 ( 0.243 -0.250 0.371) 0.509 7.762 ( 0.595 0.668 -0.777) 1.184 12.702 ( -6.093 -1.543 -0.206) 6.289 13.008 ( -4.937 1.920 -1.622) 5.540 13.372 ( -0.614 -11.067 3.554) 11.640 14.121 ( 13.490 -6.269 -1.721) 14.975 17.279 ( -1.935 0.044 3.944) 4.393 17.526 ( -0.221 -0.660 0.939) 1.169 18.338 ( -4.285 -0.740 11.156) 11.973 18.916 ( 1.284 -0.137 0.100) 1.295 18.984 ( -0.727 0.243 0.272) 0.813 19.096 ( 1.460 0.989 -2.951) 3.438 21.035 ( 0.201 -1.696 -3.273) 3.692 21.132 ( 1.269 0.251 -3.157) 3.411 45.331 ( -1.824 -1.325 -0.221) 2.265 45.354 ( -1.306 1.941 0.488) 2.390 45.796 ( 4.215 2.975 2.481) 5.725 45.928 ( -1.866 3.276 -4.843) 6.138 98.900 ( -0.323 -0.657 1.080) 1.305 98.901 ( -0.584 0.695 0.702) 1.148 99.348 ( -0.579 0.115 2.095) 2.177 99.521 ( -0.317 -0.222 -0.412) 0.565 99.652 ( 0.368 -0.265 0.684) 0.820 99.824 ( -3.124 1.564 -5.243) 6.300 100.209 ( -0.490 0.466 1.743) 1.870 100.659 ( 6.811 0.989 -3.058) 7.531======================= Grid point 103 (48/114) =======================q-point: (-0.50 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( -8.237 0.000 6.698) 10.617 1.249 ( -1.315 0.000 13.251) 13.316 1.284 ( -1.578 0.000 3.037) 3.423 1.517 ( -4.438 0.000 -1.305) 4.626 1.539 ( -1.615 0.000 5.025) 5.279 1.584 ( 4.832 -0.000 -2.702) 5.536 1.686 ( 2.770 -0.000 -2.059) 3.451 1.833 ( 0.191 -0.000 1.966) 1.975 1.850 ( 2.085 -0.000 0.844) 2.249 1.958 ( 3.965 -0.000 -1.696) 4.312 2.098 ( -3.582 0.000 -0.558) 3.626 2.187 ( 2.735 -0.000 3.468) 4.417 2.200 ( 0.682 -0.000 -1.682) 1.815 2.274 ( -3.269 0.000 -2.774) 4.288 2.353 ( -1.551 0.000 -3.272) 3.621 2.452 ( 1.062 -0.000 -6.913) 6.995 2.647 ( 4.884 -0.000 -2.501) 5.487 2.720 ( -3.767 0.000 2.030) 4.279 4.832 ( 0.704 -0.000 -0.056) 0.706 4.883 ( -0.295 0.000 -1.747) 1.771 5.245 ( -2.238 0.000 2.438) 3.309 5.439 ( 5.425 -0.000 -1.322) 5.583 5.443 ( -2.300 0.000 2.620) 3.486 5.489 ( -5.228 0.000 0.784) 5.286 5.527 ( 1.665 -0.000 -0.174) 1.674 5.918 ( 1.718 -0.000 -3.459) 3.862 7.024 ( -1.415 0.000 2.005) 2.454 7.169 ( 0.636 -0.000 -1.344) 1.487 7.662 ( 0.063 -0.000 0.407) 0.412 7.773 ( 0.851 -0.000 -0.009) 0.851 12.766 ( -5.450 0.000 0.563) 5.480 13.003 ( -12.457 0.000 -3.835) 13.034 13.135 ( 7.111 -0.000 3.658) 7.997 13.162 ( 10.433 -0.000 3.400) 10.973 17.324 ( -0.484 0.000 1.652) 1.721 17.546 ( -2.601 0.000 -1.807) 3.167 18.286 ( -2.184 0.000 7.303) 7.622 18.906 ( 1.530 -0.000 2.954) 3.327 18.933 ( 0.239 -0.000 -2.407) 2.419 19.084 ( 1.910 -0.000 2.940) 3.505 21.068 ( -1.719 0.000 -4.198) 4.536 21.209 ( 0.782 -0.000 -5.204) 5.262 45.318 ( 0.031 -0.000 0.471) 0.472 45.480 ( -1.883 0.000 -2.311) 2.981 45.823 ( 2.164 -0.000 3.006) 3.704 46.163 ( -0.852 0.000 -2.414) 2.559 98.882 ( -0.235 0.000 0.846) 0.878 98.956 ( -1.170 0.000 0.048) 1.171 99.385 ( 0.321 -0.000 0.402) 0.514 99.524 ( -0.609 0.000 -1.067) 1.228 99.683 ( 0.482 -0.000 -0.595) 0.765 99.792 ( 0.341 -0.000 -2.539) 2.562 100.180 ( -0.323 0.000 3.491) 3.506 100.875 ( 3.705 -0.000 -6.118) 7.153======================= Grid point 104 (49/114) =======================q-point: (-0.38 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( -10.752 -1.996 8.191) 13.663 1.219 ( -9.395 -0.027 1.044) 9.453 1.307 ( -1.817 -1.760 9.063) 9.409 1.493 ( -2.620 -0.664 -0.795) 2.818 1.509 ( -1.392 3.374 4.289) 5.631 1.639 ( 4.837 -0.029 0.870) 4.915 1.724 ( 1.914 -1.470 -1.760) 2.987 1.760 ( -0.327 4.467 2.201) 4.990 1.951 ( 2.000 -3.417 0.794) 4.038 2.006 ( 0.999 -1.340 -1.263) 2.095 2.032 ( -2.505 2.047 -1.620) 3.619 2.114 ( -5.199 4.294 -2.008) 7.035 2.189 ( -3.391 0.468 -2.603) 4.301 2.227 ( -0.725 1.585 2.659) 3.179 2.334 ( -0.136 0.063 -0.105) 0.183 2.416 ( 0.956 1.049 -6.108) 6.271 2.683 ( 0.416 0.503 -2.113) 2.211 2.694 ( 3.251 1.049 -0.625) 3.472 4.841 ( 0.525 -0.132 0.484) 0.726 4.869 ( -0.315 0.202 -1.960) 1.995 5.233 ( -1.591 -0.080 1.761) 2.374 5.394 ( -4.558 1.586 1.305) 4.999 5.448 ( -2.097 -0.777 1.853) 2.905 5.496 ( 5.261 0.701 0.010) 5.307 5.576 ( 1.840 -2.203 -0.921) 3.014 5.929 ( 1.842 -0.666 -3.399) 3.923 7.014 ( -1.269 0.470 1.604) 2.098 7.171 ( 0.773 -0.001 -1.176) 1.408 7.673 ( 0.418 -0.731 0.518) 0.988 7.783 ( 0.769 0.054 0.231) 0.805 12.729 ( -3.001 -0.165 1.283) 3.268 12.908 ( -6.812 -4.595 -1.473) 8.347 13.184 ( 8.507 4.796 2.431) 10.064 13.433 ( 15.235 -9.803 1.057) 18.147 17.317 ( -0.952 0.835 2.278) 2.607 17.510 ( -2.249 -0.490 -2.527) 3.418 18.302 ( -1.820 -0.196 8.489) 8.685 18.922 ( 1.301 0.626 0.515) 1.532 18.954 ( 1.906 -0.769 1.074) 2.319 19.116 ( 1.913 0.373 2.488) 3.161 21.027 ( -1.282 0.049 -5.057) 5.217 21.182 ( 0.095 0.606 -5.473) 5.507 45.319 ( -0.959 -0.220 0.714) 1.216 45.436 ( -2.480 0.494 -2.405) 3.489 45.848 ( 0.797 0.701 3.618) 3.771 46.109 ( -4.404 1.159 -3.341) 5.649 98.884 ( -0.334 -0.063 1.237) 1.283 98.938 ( -1.237 0.251 -0.290) 1.295 99.380 ( 0.390 1.420 0.904) 1.728 99.512 ( -0.851 -0.327 -1.347) 1.627 99.663 ( 0.053 1.507 0.087) 1.511 99.813 ( -1.264 -3.424 -3.654) 5.164 100.195 ( -0.774 -0.410 3.645) 3.748 100.859 ( 5.153 4.294 -5.805) 8.871======================= Grid point 105 (50/114) =======================q-point: (-0.25 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( -10.935 -4.163 6.551) 13.410 1.098 ( -11.677 -0.141 0.392) 11.684 1.335 ( -3.299 -0.207 5.375) 6.310 1.429 ( -2.225 3.953 1.127) 4.674 1.461 ( -1.274 2.791 2.922) 4.237 1.659 ( 1.489 3.831 0.817) 4.191 1.714 ( 1.235 0.814 1.378) 2.021 1.764 ( -1.382 0.206 2.952) 3.266 1.879 ( -5.930 6.099 2.001) 8.739 1.938 ( -1.567 2.176 -2.785) 3.866 2.023 ( -5.661 -1.770 -4.060) 7.187 2.082 ( 1.718 -2.608 -0.012) 3.123 2.143 ( -1.775 -1.596 -2.181) 3.233 2.218 ( 0.023 -0.406 1.573) 1.624 2.333 ( 2.022 1.289 -0.002) 2.398 2.399 ( 1.224 0.414 -2.642) 2.941 2.649 ( -2.190 0.738 -3.902) 4.535 2.720 ( 5.864 2.102 0.612) 6.260 4.852 ( 0.033 -0.175 0.991) 1.007 4.855 ( 0.009 -0.029 -1.666) 1.666 5.227 ( -1.305 -0.322 0.619) 1.480 5.336 ( -3.980 0.212 1.838) 4.389 5.454 ( -1.240 -1.030 2.102) 2.649 5.541 ( 4.198 0.844 1.539) 4.550 5.625 ( 2.429 -1.511 -2.211) 3.615 5.943 ( 1.834 -0.317 -3.682) 4.126 6.998 ( -0.939 0.435 1.227) 1.605 7.176 ( 0.718 -0.147 -0.792) 1.079 7.697 ( 0.435 -1.001 0.454) 1.182 7.788 ( 0.632 0.480 0.209) 0.821 12.698 ( -2.484 1.066 1.546) 3.114 12.952 ( -7.053 -7.465 1.989) 10.461 13.210 ( 11.297 4.545 -1.364) 12.254 13.810 ( 17.959 -11.216 -0.630) 21.183 17.299 ( -1.499 1.059 3.062) 3.570 17.493 ( -1.395 -1.201 -1.875) 2.627 18.328 ( -2.181 -0.032 10.252) 10.482 18.932 ( 1.315 0.334 0.525) 1.455 18.983 ( 1.346 0.383 1.149) 1.810 19.133 ( 1.558 0.917 0.600) 1.905 20.998 ( -0.062 -0.517 -4.793) 4.821 21.147 ( 0.025 0.512 -5.048) 5.074 45.304 ( -2.388 -0.166 0.250) 2.407 45.397 ( -1.462 0.457 -1.049) 1.856 45.861 ( 0.789 0.639 3.633) 3.773 46.005 ( -5.883 1.531 -4.114) 7.341 98.886 ( -0.615 -0.080 1.368) 1.502 98.922 ( -0.656 0.275 0.050) 0.713 99.362 ( -0.280 1.176 1.789) 2.159 99.506 ( -0.467 -0.621 -1.088) 1.337 99.650 ( 0.080 0.400 0.771) 0.872 99.819 ( -2.504 -1.961 -4.823) 5.777 100.206 ( -1.098 -0.276 2.910) 3.122 100.803 ( 5.347 5.899 -5.449) 9.648======================= Grid point 106 (51/114) =======================q-point: (-0.12 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( -9.160 -1.059 -2.016) 9.439 1.073 ( -7.019 -4.797 7.947) 11.638 1.289 ( -3.224 3.213 4.630) 6.493 1.340 ( -1.392 3.590 0.791) 3.931 1.427 ( -1.144 1.879 2.811) 3.569 1.578 ( -2.087 5.321 4.987) 7.586 1.687 ( -2.173 4.212 5.960) 7.615 1.735 ( 0.453 0.420 -1.446) 1.572 1.770 ( -3.432 2.782 1.184) 4.573 1.907 ( -1.173 -0.721 -1.712) 2.197 2.003 ( -2.191 -4.745 -2.734) 5.899 2.131 ( -1.980 -2.381 -3.355) 4.566 2.157 ( 2.405 -0.057 0.892) 2.565 2.246 ( -1.526 -3.220 -1.835) 4.007 2.330 ( 0.582 1.724 1.143) 2.149 2.408 ( 3.312 -0.863 -2.660) 4.335 2.569 ( -2.974 2.535 -4.622) 6.053 2.759 ( 4.802 1.810 2.990) 5.939 4.849 ( 0.014 -0.079 -0.741) 0.745 4.864 ( 0.022 -0.473 0.736) 0.876 5.217 ( -1.257 -0.453 -0.433) 1.404 5.314 ( -2.237 -0.331 2.512) 3.380 5.468 ( -0.979 -0.579 2.262) 2.532 5.571 ( 2.791 1.606 0.765) 3.310 5.660 ( 1.340 -1.518 -1.538) 2.543 5.948 ( 2.026 0.040 -3.867) 4.365 6.995 ( -0.550 -0.431 1.353) 1.523 7.181 ( 0.375 0.127 -0.452) 0.601 7.716 ( 0.080 -0.716 0.201) 0.748 7.783 ( 0.538 0.967 -0.149) 1.117 12.656 ( -1.538 1.474 0.421) 2.171 12.955 ( -5.326 -0.460 1.524) 5.558 13.301 ( 7.724 -2.232 -1.562) 8.191 14.155 ( 12.888 -7.586 -0.586) 14.967 17.281 ( -1.801 0.649 3.573) 4.053 17.502 ( -0.598 -1.759 -0.254) 1.875 18.343 ( -3.663 0.473 11.107) 11.705 18.943 ( 1.535 0.593 0.314) 1.675 18.979 ( -0.541 0.856 0.284) 1.052 19.125 ( 1.076 1.513 -1.640) 2.477 21.001 ( 1.392 -1.270 -3.585) 4.051 21.125 ( 0.509 -0.253 -4.073) 4.112 45.289 ( -1.630 -1.155 -0.249) 2.013 45.366 ( -1.342 1.289 -0.004) 1.861 45.853 ( -2.673 1.633 -1.277) 3.383 45.934 ( 0.402 -0.162 0.361) 0.564 98.888 ( -0.629 -0.509 0.854) 1.177 98.910 ( -0.484 0.705 0.689) 1.098 99.357 ( -0.491 0.363 2.344) 2.422 99.511 ( 0.164 -0.611 -0.389) 0.742 99.654 ( -0.063 -0.042 0.667) 0.671 99.789 ( -1.074 -0.519 -3.766) 3.950 100.209 ( -1.038 -0.243 1.784) 2.079 100.739 ( 3.108 4.122 -5.656) 7.658======================= Grid point 112 (52/114) =======================q-point: (-0.38 -0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( -13.232 0.000 10.708) 17.022 1.061 ( -15.348 0.000 -1.177) 15.393 1.310 ( -2.155 0.000 7.491) 7.795 1.493 ( -0.304 0.000 2.604) 2.622 1.537 ( -2.191 0.000 3.158) 3.844 1.702 ( 4.124 -0.000 3.372) 5.327 1.724 ( 1.369 -0.000 -0.957) 1.670 1.827 ( -2.372 0.000 1.084) 2.608 1.879 ( -0.152 0.000 -0.603) 0.622 1.961 ( -15.048 0.000 -6.523) 16.401 2.006 ( -4.168 0.000 0.611) 4.212 2.044 ( 4.402 -0.000 -0.518) 4.432 2.201 ( -1.191 0.000 0.324) 1.234 2.268 ( 1.302 -0.000 2.594) 2.902 2.327 ( -1.266 0.000 1.682) 2.105 2.388 ( -0.195 0.000 -7.810) 7.813 2.663 ( -1.989 0.000 0.229) 2.002 2.759 ( 6.693 -0.000 -5.789) 8.849 4.851 ( 0.486 -0.000 1.515) 1.591 4.859 ( -0.013 0.000 -2.373) 2.374 5.225 ( -0.861 0.000 1.091) 1.390 5.373 ( -4.246 0.000 1.183) 4.408 5.417 ( -1.645 0.000 2.032) 2.615 5.555 ( 4.627 -0.000 -1.782) 4.959 5.581 ( 2.246 -0.000 1.052) 2.480 5.931 ( 2.077 -0.000 -3.040) 3.682 7.013 ( -0.908 0.000 1.424) 1.689 7.173 ( 0.624 -0.000 -0.995) 1.175 7.674 ( 0.555 -0.000 0.388) 0.677 7.793 ( 0.643 -0.000 0.195) 0.672 12.731 ( 0.777 -0.000 2.505) 2.623 12.801 ( -2.347 0.000 -0.273) 2.363 13.438 ( 11.568 -0.000 -1.497) 11.664 13.462 ( 17.983 -0.000 1.889) 18.082 17.325 ( -1.143 0.000 2.748) 2.976 17.466 ( -2.034 0.000 -3.243) 3.828 18.329 ( -0.941 0.000 10.297) 10.339 18.929 ( 1.246 -0.000 -2.345) 2.656 19.004 ( 3.409 -0.000 4.847) 5.926 19.149 ( 1.076 -0.000 2.145) 2.400 20.992 ( -0.397 0.000 -5.204) 5.220 21.157 ( -0.618 0.000 -5.619) 5.653 45.310 ( -1.358 0.000 1.547) 2.059 45.394 ( -2.967 0.000 -2.414) 3.824 45.862 ( -2.092 0.000 3.626) 4.187 46.033 ( -7.521 0.000 -3.773) 8.414 98.886 ( -0.371 0.000 1.930) 1.965 98.923 ( -1.219 0.000 -0.476) 1.309 99.406 ( 0.674 -0.000 0.726) 0.991 99.486 ( -1.400 0.000 -1.943) 2.395 99.677 ( -0.685 0.000 -0.286) 0.743 99.749 ( -1.576 0.000 -2.420) 2.888 100.200 ( -0.960 0.000 3.994) 4.108 100.927 ( 5.883 -0.000 -7.806) 9.775======================= Grid point 113 (53/114) =======================q-point: (-0.25 -0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.863 ( -15.067 -1.784 4.690) 15.881 0.918 ( -14.335 -4.022 5.656) 15.926 1.313 ( -3.453 -0.217 5.201) 6.246 1.467 ( -3.739 2.280 1.466) 4.618 1.494 ( -4.154 0.716 0.129) 4.217 1.724 ( -4.563 0.231 1.882) 4.941 1.740 ( 0.270 1.451 1.154) 1.874 1.771 ( -2.793 0.608 3.917) 4.849 1.801 ( -4.382 0.315 -1.666) 4.699 1.898 ( -2.976 -2.013 -2.476) 4.363 1.978 ( -2.504 -0.753 0.053) 2.615 2.049 ( -0.234 4.898 0.712) 4.955 2.154 ( 1.026 1.309 -0.277) 1.686 2.247 ( -0.920 2.482 1.736) 3.165 2.338 ( -0.517 -1.523 -0.232) 1.625 2.382 ( 0.601 -1.881 -4.323) 4.753 2.625 ( -1.526 1.836 -2.857) 3.723 2.811 ( 6.571 -0.672 -3.976) 7.710 4.848 ( 0.373 0.070 -2.167) 2.200 4.863 ( 0.300 0.371 2.508) 2.553 5.221 ( -0.137 0.309 0.368) 0.500 5.325 ( -2.095 1.248 1.770) 3.014 5.427 ( -1.312 -1.387 1.995) 2.761 5.602 ( 3.894 -0.386 -0.141) 3.915 5.611 ( 1.323 -0.763 -0.625) 1.650 5.945 ( 2.197 -0.360 -3.054) 3.779 7.005 ( -0.597 0.612 1.120) 1.409 7.177 ( 0.463 -0.201 -0.655) 0.827 7.689 ( 0.457 -0.678 0.242) 0.853 7.799 ( 0.332 0.051 0.061) 0.342 12.739 ( 1.438 2.448 3.257) 4.321 12.845 ( 2.652 -3.342 2.216) 4.807 13.439 ( 11.397 7.902 -3.404) 14.280 13.816 ( 17.659 -10.752 -1.691) 20.744 17.315 ( -1.529 1.040 3.348) 3.825 17.443 ( -1.247 -1.362 -2.579) 3.172 18.372 ( -0.643 0.917 13.343) 13.390 18.936 ( 1.061 -0.421 -1.768) 2.105 19.048 ( 2.738 2.061 3.981) 5.253 19.158 ( 0.106 0.369 0.660) 0.764 20.976 ( 1.449 -0.305 -4.378) 4.622 21.122 ( -0.696 0.018 -5.075) 5.123 45.286 ( -2.357 1.099 1.136) 2.838 45.371 ( -1.364 -1.198 -0.681) 1.939 45.855 ( -3.242 -1.483 3.170) 4.771 45.916 ( -8.649 0.085 -3.847) 9.466 98.888 ( -0.672 0.431 1.871) 2.034 98.916 ( -0.372 -0.426 0.637) 0.852 99.390 ( -0.515 1.852 0.918) 2.130 99.478 ( -0.655 -1.430 -1.521) 2.188 99.658 ( -0.597 0.502 0.345) 0.853 99.741 ( -1.813 -1.962 -2.997) 4.015 100.206 ( -1.119 0.097 3.589) 3.760 100.912 ( 4.778 4.197 -9.770) 11.658======================= Grid point 114 (54/114) =======================q-point: (-0.12 -0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( -12.124 -4.939 -1.410) 13.167 0.919 ( -10.532 -7.102 10.922) 16.753 1.283 ( -4.297 0.892 3.338) 5.514 1.384 ( -5.312 0.518 1.722) 5.608 1.449 ( -2.634 -0.407 -0.058) 2.666 1.651 ( -6.654 0.675 4.148) 7.870 1.710 ( -2.793 0.326 0.216) 2.821 1.738 ( -1.452 0.527 -2.355) 2.817 1.769 ( -2.344 4.184 7.500) 8.903 1.865 ( -4.406 3.462 2.022) 5.957 1.933 ( 3.624 -1.168 -1.307) 4.026 2.013 ( -3.010 -2.638 -3.138) 5.086 2.173 ( 0.235 0.375 -0.592) 0.739 2.221 ( 0.128 -0.108 2.677) 2.682 2.330 ( -3.543 0.449 0.340) 3.588 2.417 ( 3.754 -2.383 -5.285) 6.907 2.543 ( -2.208 2.203 -6.590) 7.291 2.884 ( 7.176 1.109 0.693) 7.294 4.846 ( 0.683 -0.100 -1.415) 1.575 4.869 ( -0.025 0.503 2.517) 2.567 5.215 ( 0.861 0.632 -0.132) 1.076 5.310 ( -0.441 0.252 2.192) 2.250 5.447 ( -1.154 -1.418 2.210) 2.869 5.629 ( -0.433 -1.313 -1.184) 1.820 5.638 ( 2.839 1.269 0.064) 3.110 5.961 ( 2.876 0.091 -3.400) 4.454 6.995 ( -0.301 0.350 1.020) 1.119 7.183 ( 0.258 -0.174 -0.151) 0.346 7.704 ( -0.040 -0.705 -0.078) 0.710 7.798 ( 0.137 0.368 -0.128) 0.413 12.716 ( 2.404 3.907 1.943) 4.982 12.945 ( 4.407 -0.821 3.368) 5.607 13.412 ( 7.685 5.515 -4.686) 10.556 14.144 ( 10.903 -8.503 -2.071) 13.981 17.293 ( -1.753 1.146 3.762) 4.306 17.457 ( -0.515 -2.261 -0.927) 2.497 18.391 ( -2.447 2.930 14.409) 14.906 18.950 ( 0.721 -0.683 -0.615) 1.168 19.026 ( 0.225 3.631 1.049) 3.786 19.147 ( -0.002 1.009 -0.740) 1.251 20.994 ( 3.204 -0.694 -3.060) 4.484 21.099 ( -0.148 -0.573 -4.108) 4.150 45.257 ( -1.379 -0.385 0.308) 1.465 45.371 ( -0.553 0.471 0.352) 0.807 45.792 ( -7.368 -0.046 -3.344) 8.092 45.911 ( -0.363 -4.265 2.721) 5.072 98.880 ( -0.685 0.121 0.936) 1.166 98.921 ( -0.269 0.492 1.700) 1.790 99.370 ( -0.455 0.606 1.959) 2.100 99.498 ( 0.651 -1.438 -0.466) 1.646 99.655 ( -0.157 -0.003 0.391) 0.421 99.744 ( -0.053 -2.290 -2.585) 3.454 100.204 ( -1.281 0.239 2.500) 2.820 100.802 ( -0.292 5.711 -10.638) 12.077======================= Grid point 121 (55/114) =======================q-point: (-0.25 -0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -17.279 0.000 -0.050) 17.279 0.759 ( -14.747 0.000 15.163) 21.151 1.273 ( -14.824 0.000 -0.352) 14.828 1.308 ( -10.343 0.000 -2.902) 10.742 1.458 ( -4.938 0.000 2.075) 5.357 1.686 ( -4.401 0.000 8.898) 9.927 1.747 ( 1.085 -0.000 -0.265) 1.117 1.754 ( -3.566 0.000 -1.184) 3.758 1.832 ( -3.571 0.000 -1.829) 4.012 1.854 ( 4.550 -0.000 2.795) 5.340 1.958 ( 0.176 -0.000 2.414) 2.420 2.133 ( 3.774 -0.000 -0.858) 3.871 2.181 ( -2.315 0.000 4.124) 4.729 2.244 ( -2.191 0.000 -4.963) 5.425 2.300 ( -2.195 0.000 0.787) 2.332 2.343 ( -0.056 0.000 -1.417) 1.418 2.642 ( 0.235 -0.000 -0.266) 0.355 2.811 ( 4.021 -0.000 -10.290) 11.048 4.845 ( 0.873 -0.000 -2.317) 2.476 4.893 ( 1.009 -0.000 4.884) 4.988 5.231 ( 0.800 -0.000 0.352) 0.874 5.332 ( -0.442 0.000 1.637) 1.696 5.412 ( -0.564 0.000 2.193) 2.265 5.611 ( 1.922 -0.000 -2.158) 2.890 5.636 ( 1.463 -0.000 1.354) 1.994 5.950 ( 1.917 -0.000 -2.712) 3.321 7.011 ( -0.350 0.000 1.145) 1.197 7.174 ( 0.080 -0.000 -0.598) 0.603 7.689 ( 0.462 -0.000 0.072) 0.468 7.799 ( -0.090 0.000 -0.266) 0.281 12.810 ( 2.759 -0.000 3.727) 4.637 12.903 ( 8.727 -0.000 5.103) 10.110 13.614 ( 6.778 -0.000 -6.353) 9.290 13.903 ( 20.100 -0.000 -5.559) 20.854 17.326 ( -1.749 0.000 4.280) 4.624 17.406 ( -0.581 0.000 -2.544) 2.610 18.474 ( 2.517 -0.000 20.256) 20.411 18.931 ( 0.580 -0.000 -2.422) 2.490 19.129 ( 3.212 -0.000 4.942) 5.894 19.151 ( -1.593 0.000 -0.339) 1.629 20.983 ( 3.436 -0.000 -3.252) 4.731 21.090 ( -0.793 0.000 -4.223) 4.297 45.301 ( -1.273 0.000 4.218) 4.406 45.327 ( -1.027 0.000 -1.247) 1.616 45.789 ( -6.688 0.000 2.448) 7.122 45.789 ( -9.819 0.000 -3.688) 10.489 98.903 ( -0.142 0.000 -0.024) 0.144 98.912 ( 0.223 -0.000 4.967) 4.972 99.413 ( -0.698 0.000 0.329) 0.772 99.431 ( -1.655 0.000 -1.911) 2.529 99.651 ( -1.201 0.000 -0.063) 1.203 99.696 ( -1.104 0.000 -1.823) 2.131 100.215 ( -0.970 0.000 3.895) 4.014 100.944 ( 3.818 -0.000 -15.953) 16.404======================= Grid point 122 (56/114) =======================q-point: (-0.12 -0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( -13.973 -4.324 1.654) 14.720 0.719 ( -13.935 -6.037 12.842) 19.888 1.083 ( -21.964 -10.153 -1.342) 24.235 1.264 ( -3.920 -0.021 3.352) 5.158 1.405 ( -4.957 -0.214 1.406) 5.157 1.664 ( -1.667 3.433 6.062) 7.163 1.695 ( -3.091 0.503 -2.735) 4.158 1.740 ( -2.214 1.127 -1.924) 3.142 1.801 ( -0.246 -1.128 2.499) 2.753 1.917 ( 1.125 1.518 4.961) 5.309 1.980 ( 2.289 0.786 1.096) 2.657 2.030 ( -1.585 8.965 3.276) 9.676 2.166 ( -0.505 -0.465 -3.067) 3.143 2.230 ( -1.582 -0.070 3.278) 3.641 2.282 ( -4.167 0.167 -0.888) 4.264 2.370 ( 1.861 -3.559 -4.489) 6.023 2.553 ( -0.833 5.237 -6.812) 8.632 2.908 ( 5.573 -7.215 -4.817) 10.311 4.848 ( 1.207 -0.086 -1.830) 2.194 4.916 ( 1.280 2.340 6.031) 6.594 5.242 ( 1.604 0.354 0.280) 1.666 5.335 ( 1.195 0.919 2.022) 2.522 5.426 ( -0.605 -0.829 2.339) 2.554 5.603 ( -0.642 0.518 -1.869) 2.043 5.671 ( 1.393 -0.764 0.571) 1.688 5.973 ( 3.029 -1.189 -3.034) 4.449 7.007 ( -0.140 0.632 1.093) 1.270 7.177 ( -0.092 -0.546 -0.189) 0.585 7.695 ( 0.104 -0.218 -0.206) 0.318 7.797 ( -0.265 -0.181 -0.511) 0.604 12.829 ( 3.056 3.150 2.854) 5.235 13.050 ( 10.359 0.081 6.145) 12.044 13.572 ( 4.865 6.816 -7.185) 11.034 14.121 ( 10.775 -5.287 -7.092) 13.941 17.313 ( -1.895 1.215 4.414) 4.955 17.413 ( 0.071 -1.897 -0.870) 2.089 18.563 ( 2.877 7.951 24.146) 25.584 18.935 ( 0.300 -1.277 -1.579) 2.053 19.096 ( -1.219 3.868 1.035) 4.186 19.161 ( 0.196 1.651 1.360) 2.148 21.020 ( 4.721 -0.241 -2.013) 5.138 21.070 ( -0.244 -0.404 -2.865) 2.904 45.258 ( -1.055 2.027 2.010) 3.043 45.373 ( 1.212 -1.248 1.555) 2.333 45.675 ( -8.332 -0.895 -3.006) 8.903 45.798 ( -3.120 -8.057 1.954) 8.858 98.892 ( 0.007 1.190 1.257) 1.731 98.943 ( 0.247 0.880 4.824) 4.910 99.383 ( -0.404 0.596 1.154) 1.360 99.463 ( 0.874 -3.866 -0.685) 4.023 99.651 ( 0.001 -0.842 0.255) 0.880 99.691 ( -0.158 -2.185 -1.875) 2.883 100.214 ( -1.135 0.804 3.281) 3.563 100.808 ( -4.149 5.907 -20.595) 21.823======================= Grid point 130 (57/114) =======================q-point: (-0.12 -0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.342 ( -12.823 0.000 8.153) 15.196 0.519 ( -20.564 0.000 2.948) 20.775 0.740 ( -20.791 0.000 16.890) 26.787 1.234 ( -3.196 0.000 2.604) 4.123 1.343 ( -5.806 0.000 1.199) 5.929 1.655 ( -2.652 0.000 -3.548) 4.429 1.693 ( -3.571 0.000 -2.252) 4.222 1.724 ( 0.141 -0.000 7.100) 7.101 1.790 ( 0.940 -0.000 -0.885) 1.291 1.990 ( 4.409 -0.000 4.405) 6.232 2.026 ( 2.820 -0.000 1.260) 3.089 2.112 ( -2.914 0.000 -5.825) 6.513 2.172 ( -3.070 0.000 6.426) 7.122 2.209 ( 0.496 -0.000 2.048) 2.107 2.261 ( -0.273 0.000 -0.942) 0.980 2.329 ( 1.559 -0.000 -3.303) 3.652 2.666 ( 1.303 -0.000 1.162) 1.745 2.682 ( -7.372 0.000 -15.282) 16.967 4.854 ( 1.512 -0.000 -1.699) 2.274 5.032 ( 6.869 -0.000 7.627) 10.264 5.266 ( 1.634 -0.000 1.339) 2.112 5.369 ( 1.542 -0.000 1.405) 2.086 5.433 ( 0.101 -0.000 3.877) 3.878 5.610 ( 0.198 -0.000 -1.743) 1.754 5.662 ( -0.304 0.000 0.246) 0.391 5.962 ( 1.385 -0.000 -2.738) 3.069 7.018 ( -0.078 0.000 1.255) 1.258 7.167 ( -0.291 0.000 -0.341) 0.449 7.695 ( 0.153 -0.000 -0.292) 0.330 7.786 ( -0.430 0.000 -0.931) 1.026 12.893 ( 1.352 -0.000 2.336) 2.699 13.202 ( 8.952 -0.000 5.881) 10.711 13.645 ( 3.238 -0.000 -5.498) 6.381 14.141 ( 6.295 -0.000 -11.380) 13.005 17.324 ( -2.444 0.000 5.217) 5.762 17.398 ( 1.125 -0.000 -0.197) 1.142 18.898 ( -0.567 0.000 -4.019) 4.058 18.916 ( 15.142 -0.000 20.805) 25.732 19.102 ( -1.819 0.000 0.043) 1.819 19.301 ( 11.012 -0.000 16.782) 20.073 21.062 ( 0.638 -0.000 0.175) 0.661 21.067 ( 4.855 -0.000 -0.918) 4.941 45.336 ( 2.595 -0.000 -0.391) 2.624 45.373 ( 3.535 -0.000 7.784) 8.548 45.569 ( -6.273 0.000 -1.957) 6.571 45.626 ( -8.486 0.000 1.048) 8.551 98.914 ( 0.583 -0.000 0.701) 0.912 99.045 ( 7.023 -0.000 11.927) 13.841 99.384 ( -1.431 0.000 -0.301) 1.462 99.390 ( -0.522 0.000 0.001) 0.522 99.629 ( -0.753 0.000 0.142) 0.766 99.666 ( -0.110 0.000 -1.637) 1.641 100.225 ( -1.335 0.000 3.197) 3.465 100.643 ( -15.223 0.000 -34.778) 37.964======================= Grid point 131 (58/114) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( 11.858 -0.000 14.367) 18.629 0.706 ( 0.325 -0.000 15.695) 15.699 1.164 ( -4.591 0.000 -6.287) 7.785 1.181 ( -5.807 0.000 12.911) 14.156 1.309 ( -0.014 0.000 5.146) 5.146 1.475 ( -3.788 0.000 -0.393) 3.808 1.641 ( 3.825 -0.000 -1.487) 4.104 1.697 ( -0.316 0.000 -4.029) 4.042 1.773 ( -1.406 0.000 0.008) 1.406 1.868 ( -2.125 0.000 -4.657) 5.119 1.922 ( -2.395 0.000 -1.548) 2.852 2.019 ( 2.015 -0.000 -5.074) 5.459 2.266 ( 0.752 -0.000 0.104) 0.759 2.282 ( -2.016 0.000 1.161) 2.326 2.292 ( 3.187 -0.000 1.957) 3.740 2.297 ( 2.676 -0.000 -1.290) 2.970 2.602 ( -4.994 0.000 6.106) 7.888 2.775 ( 5.142 -0.000 0.707) 5.190 4.867 ( 1.466 -0.000 0.406) 1.521 5.001 ( -1.945 0.000 -5.300) 5.645 5.322 ( 1.411 -0.000 1.079) 1.776 5.366 ( -2.548 0.000 -0.818) 2.677 5.598 ( -2.082 0.000 5.632) 6.005 5.625 ( 2.764 -0.000 0.202) 2.771 5.635 ( -2.306 0.000 0.881) 2.469 5.871 ( 1.699 -0.000 -5.295) 5.561 7.074 ( -0.005 0.000 2.264) 2.264 7.146 ( -0.035 0.000 -0.963) 0.964 7.684 ( -0.180 0.000 -0.053) 0.188 7.731 ( 0.218 -0.000 -1.935) 1.947 12.949 ( 0.838 -0.000 2.488) 2.625 13.105 ( -6.179 0.000 -4.804) 7.826 13.959 ( 7.590 -0.000 7.349) 10.565 14.186 ( 0.406 -0.000 -3.135) 3.161 17.441 ( -4.694 0.000 6.388) 7.927 17.522 ( 3.986 -0.000 3.108) 5.054 18.751 ( 3.667 -0.000 -5.154) 6.325 18.838 ( -6.474 0.000 -8.632) 10.790 19.129 ( -1.151 0.000 3.824) 3.994 19.346 ( -8.959 0.000 -5.347) 10.433 21.128 ( -2.473 0.000 1.867) 3.098 21.163 ( 2.883 -0.000 0.386) 2.909 45.397 ( -6.158 0.000 0.466) 6.176 45.419 ( 4.686 -0.000 -0.328) 4.698 45.470 ( -5.490 0.000 0.377) 5.503 45.493 ( 4.408 -0.000 -0.446) 4.431 98.969 ( 0.138 -0.000 2.211) 2.215 99.063 ( -5.799 0.000 -1.721) 6.049 99.359 ( 0.816 -0.000 -0.308) 0.873 99.364 ( -0.759 0.000 -0.564) 0.946 99.623 ( -0.389 0.000 0.327) 0.509 99.651 ( 0.648 -0.000 -0.892) 1.102 100.256 ( -5.256 0.000 2.874) 5.990 100.397 ( 18.360 -0.000 -3.135) 18.625======================= Grid point 132 (59/114) =======================q-point: ( 0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( 1.636 -0.873 11.980) 12.122 0.925 ( 8.726 -4.606 12.125) 15.632 1.114 ( 0.470 -1.112 -5.331) 5.466 1.237 ( 1.436 -4.112 -3.410) 5.531 1.378 ( -0.383 -4.750 9.547) 10.670 1.431 ( -2.837 0.801 3.669) 4.707 1.661 ( 1.580 0.340 -2.001) 2.572 1.685 ( 0.788 1.195 -0.564) 1.539 1.765 ( 0.667 0.114 2.245) 2.345 1.845 ( -2.313 -2.103 -5.063) 5.950 1.925 ( 0.534 -3.411 0.704) 3.524 2.024 ( 2.729 0.251 -4.330) 5.125 2.185 ( -4.283 6.748 3.707) 8.810 2.251 ( -0.622 1.336 0.009) 1.474 2.291 ( 0.388 0.192 0.986) 1.077 2.347 ( 3.889 0.165 -0.404) 3.913 2.600 ( 0.347 -0.350 0.328) 0.592 2.871 ( 2.359 -3.304 -1.534) 4.340 4.876 ( 0.677 0.776 0.506) 1.147 4.932 ( -2.623 1.572 -2.726) 4.097 5.326 ( -3.051 0.279 -0.639) 3.130 5.347 ( 0.777 -0.390 1.485) 1.721 5.557 ( -2.007 2.915 4.766) 5.936 5.604 ( -2.670 0.907 0.108) 2.822 5.683 ( 2.294 -1.675 1.374) 3.155 5.867 ( 1.571 -0.146 -5.812) 6.022 7.087 ( 0.097 -0.224 2.595) 2.607 7.143 ( -0.083 -0.069 -1.414) 1.418 7.688 ( -0.203 -0.605 -0.069) 0.642 7.728 ( 0.561 -0.161 -1.535) 1.643 12.945 ( -2.380 2.943 2.632) 4.610 13.010 ( -3.814 0.757 -2.134) 4.435 13.989 ( -2.103 5.372 4.619) 7.390 14.132 ( -2.086 0.179 -5.274) 5.675 17.415 ( -4.387 0.225 5.288) 6.874 17.579 ( 3.311 0.283 2.941) 4.438 18.702 ( -8.946 0.839 -2.481) 9.321 18.799 ( 3.655 -2.365 -4.290) 6.112 19.091 ( -2.880 5.123 4.934) 7.674 19.174 ( -6.102 4.155 1.103) 7.464 21.095 ( -0.622 1.654 0.496) 1.836 21.167 ( 1.284 2.437 -0.104) 2.757 45.331 ( -3.383 0.057 2.169) 4.020 45.420 ( -1.627 0.633 0.599) 1.845 45.526 ( 1.757 -5.136 -3.047) 6.225 45.591 ( 7.659 -3.298 0.406) 8.349 98.960 ( -2.788 1.703 1.557) 3.619 98.985 ( -1.095 1.132 2.166) 2.678 99.351 ( -1.110 -0.276 0.085) 1.147 99.439 ( 2.545 -4.117 -1.364) 5.029 99.632 ( -0.742 -1.167 -0.665) 1.535 99.657 ( 1.582 -0.400 -0.442) 1.691 100.212 ( -4.388 -0.539 1.488) 4.664 100.554 ( 14.802 1.675 -7.906) 16.864======================= Grid point 133 (60/114) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 1.104 -3.512 6.563) 7.525 1.128 ( 5.665 -3.975 9.162) 11.482 1.169 ( 4.407 -3.570 -1.142) 5.785 1.277 ( 2.499 -1.844 -8.115) 8.689 1.426 ( -1.867 0.033 5.065) 5.398 1.460 ( -1.769 -1.333 3.674) 4.290 1.640 ( -1.760 1.539 0.434) 2.378 1.713 ( 2.396 -1.462 -0.958) 2.966 1.839 ( 4.848 -3.113 5.360) 7.869 1.858 ( -0.418 -4.542 -3.852) 5.970 1.997 ( -2.309 0.659 6.193) 6.642 2.026 ( 1.799 -0.998 -1.321) 2.444 2.085 ( 0.055 1.072 1.098) 1.536 2.227 ( 0.030 0.729 0.614) 0.954 2.296 ( 0.426 -0.461 -2.091) 2.183 2.383 ( 3.940 0.253 -0.144) 3.950 2.581 ( -1.377 1.884 -2.518) 3.433 2.889 ( 0.062 1.594 -2.359) 2.848 4.856 ( -1.103 0.833 -0.317) 1.418 4.893 ( -0.261 0.518 -0.266) 0.638 5.280 ( -3.055 0.523 -0.263) 3.111 5.368 ( 0.061 -0.520 2.061) 2.126 5.519 ( -2.207 1.296 2.549) 3.612 5.547 ( -2.928 1.622 1.196) 3.554 5.730 ( 2.046 -0.139 0.489) 2.108 5.859 ( 2.205 0.135 -5.700) 6.114 7.101 ( -0.255 0.522 2.698) 2.760 7.135 ( -0.067 -0.419 -1.464) 1.524 7.693 ( -0.481 -0.921 -0.820) 1.324 7.739 ( 1.127 -0.263 -0.275) 1.190 12.812 ( -7.121 5.050 0.747) 8.762 12.976 ( -1.502 1.466 1.129) 2.383 13.773 ( -11.384 8.530 -1.867) 14.347 14.153 ( 3.411 -2.442 -0.674) 4.249 17.388 ( -3.600 0.230 4.455) 5.733 17.607 ( 1.876 1.303 1.957) 3.008 18.605 ( -8.790 -0.908 5.277) 10.292 18.873 ( 3.721 -2.957 -2.929) 5.583 18.981 ( -2.125 4.940 3.356) 6.339 19.086 ( -2.545 2.658 0.609) 3.730 21.062 ( 0.666 2.368 -1.799) 3.047 21.123 ( 0.907 3.076 -1.357) 3.482 45.320 ( -2.349 -1.123 1.112) 2.831 45.387 ( -1.067 1.610 0.437) 1.980 45.619 ( 2.418 -4.737 -3.712) 6.486 45.759 ( 8.629 -4.415 1.693) 9.840 98.917 ( -1.846 0.659 1.120) 2.257 98.974 ( -0.008 1.505 1.969) 2.478 99.351 ( -1.701 -1.302 1.084) 2.401 99.505 ( 1.576 -1.394 -0.103) 2.106 99.626 ( -1.239 -0.481 -1.359) 1.901 99.713 ( 3.663 -1.970 -0.131) 4.161 100.198 ( -2.439 -1.750 0.922) 3.141 100.601 ( 8.511 3.223 -8.616) 12.532======================= Grid point 134 (61/114) =======================q-point: ( 0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 2.299 -3.003 3.930) 5.454 1.250 ( 3.610 1.257 1.052) 3.965 1.276 ( 3.935 -2.938 0.128) 4.913 1.313 ( 0.648 -2.365 5.740) 6.242 1.442 ( -0.102 -3.055 1.533) 3.420 1.474 ( -0.353 -0.289 4.690) 4.713 1.624 ( -1.611 -2.057 -1.343) 2.938 1.722 ( 1.170 1.263 -0.681) 1.851 1.847 ( -3.603 2.647 3.690) 5.797 1.932 ( 0.786 -3.390 -3.951) 5.265 1.998 ( -0.972 -0.056 3.402) 3.539 2.097 ( 2.000 -1.037 -0.711) 2.362 2.129 ( 2.324 -4.348 3.122) 5.835 2.220 ( 0.612 2.175 0.207) 2.269 2.324 ( 0.091 -3.755 -0.689) 3.819 2.426 ( 3.073 -0.160 0.339) 3.096 2.480 ( -2.755 4.540 -4.809) 7.164 2.822 ( -0.152 3.758 -1.449) 4.030 4.839 ( -0.648 -0.091 -0.237) 0.696 4.886 ( 0.126 0.340 -0.008) 0.363 5.242 ( -1.779 0.754 0.041) 1.933 5.383 ( -1.524 -0.353 3.184) 3.548 5.471 ( -1.533 -0.115 -2.592) 3.014 5.532 ( -1.671 -0.223 4.987) 5.264 5.734 ( 1.057 1.610 -0.891) 2.122 5.858 ( 2.640 0.426 -4.926) 5.605 7.081 ( -0.623 1.769 0.982) 2.117 7.149 ( -0.055 -1.150 0.316) 1.194 7.707 ( -0.103 -1.631 -0.882) 1.857 7.750 ( 0.841 0.319 0.235) 0.930 12.666 ( -4.953 3.344 0.256) 5.981 12.924 ( -3.364 1.352 0.447) 3.653 13.513 ( -7.615 6.735 -2.122) 10.385 14.251 ( 4.015 -3.022 0.924) 5.109 17.372 ( -2.645 -0.093 4.561) 5.273 17.595 ( 0.494 2.332 0.805) 2.516 18.573 ( -7.674 -1.773 9.286) 12.176 18.911 ( -0.439 1.379 0.656) 1.589 18.955 ( 2.508 -2.227 -2.210) 4.017 19.024 ( -1.007 1.914 -0.991) 2.379 21.014 ( 1.126 2.796 -2.391) 3.847 21.083 ( 1.367 2.095 -3.045) 3.941 45.319 ( -1.874 -1.277 0.028) 2.268 45.348 ( -0.088 2.325 0.096) 2.328 45.694 ( 1.177 -3.181 -3.129) 4.615 45.925 ( 6.665 -3.172 2.174) 7.694 98.903 ( -0.968 -0.310 0.710) 1.240 98.950 ( -0.196 1.906 1.142) 2.230 99.365 ( -1.804 -1.747 1.703) 3.035 99.531 ( 0.826 -0.080 0.667) 1.065 99.616 ( -0.869 -0.590 -1.393) 1.745 99.781 ( 4.190 -0.464 0.273) 4.225 100.215 ( -1.179 -1.778 1.022) 2.366 100.579 ( 3.733 2.425 -7.787) 8.970======================= Grid point 135 (62/114) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 0.983 5.309 2.797) 6.081 1.246 ( -1.429 1.016 4.545) 4.871 1.349 ( 0.370 0.048 3.705) 3.724 1.367 ( 0.897 -1.739 2.367) 3.071 1.496 ( 0.713 0.461 4.768) 4.843 1.524 ( 0.337 -4.185 -0.848) 4.284 1.667 ( 1.403 -2.538 -1.089) 3.098 1.701 ( -0.112 0.144 -0.533) 0.564 1.796 ( -2.853 0.272 1.920) 3.450 1.943 ( -1.586 -0.654 -1.793) 2.481 2.017 ( 0.089 0.459 0.951) 1.059 2.069 ( -2.235 3.812 3.970) 5.940 2.168 ( -2.081 0.865 -1.547) 2.733 2.225 ( 1.438 -2.235 0.962) 2.827 2.331 ( -3.615 0.434 0.395) 3.663 2.381 ( -2.256 0.733 -3.916) 4.578 2.447 ( 1.829 2.438 -0.040) 3.048 2.810 ( 4.791 -1.341 -2.068) 5.387 4.836 ( -0.047 -0.078 -0.187) 0.207 4.884 ( 0.079 0.060 0.043) 0.108 5.219 ( 0.494 0.707 0.017) 0.863 5.369 ( -1.963 0.557 2.985) 3.616 5.493 ( 1.004 -3.070 -2.529) 4.102 5.544 ( -1.975 -0.713 4.548) 5.009 5.701 ( -0.317 2.015 -0.383) 2.076 5.858 ( 2.769 0.375 -4.989) 5.718 7.050 ( -0.492 1.505 1.133) 1.947 7.169 ( -0.028 -1.029 0.346) 1.086 7.724 ( -0.161 -0.200 -0.541) 0.599 7.755 ( 0.378 -0.543 -0.141) 0.677 12.616 ( 0.219 -0.857 -0.462) 0.998 12.893 ( -0.325 -1.444 -0.539) 1.575 13.380 ( -1.506 2.401 -0.321) 2.852 14.319 ( 1.372 -0.089 1.009) 1.705 17.375 ( -1.899 -0.548 5.382) 5.734 17.554 ( -0.184 2.750 0.264) 2.769 18.572 ( -6.382 -2.224 10.481) 12.471 18.901 ( 0.289 -0.315 -1.067) 1.149 18.986 ( 0.395 0.438 0.256) 0.643 19.016 ( 1.450 -2.379 -4.015) 4.887 20.985 ( 2.119 1.495 -1.844) 3.182 21.052 ( 1.257 1.498 -3.633) 4.126 45.310 ( 0.484 2.191 0.220) 2.254 45.327 ( -0.798 -1.432 -0.300) 1.667 45.714 ( -1.397 -0.751 -2.300) 2.794 46.019 ( 2.952 -0.234 1.185) 3.190 98.908 ( -0.523 -0.364 0.785) 1.011 98.924 ( -0.285 0.770 0.774) 1.128 99.380 ( -1.549 -1.328 1.611) 2.600 99.539 ( 0.591 0.356 0.823) 1.074 99.613 ( -0.412 -0.672 -1.358) 1.570 99.821 ( 4.599 1.739 0.155) 4.919 100.230 ( -1.250 -0.865 1.370) 2.046 100.537 ( -0.433 0.935 -6.960) 7.036======================= Grid point 136 (63/114) =======================q-point: (-0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( -0.002 10.188 5.285) 11.477 1.129 ( -9.170 8.113 2.581) 12.513 1.360 ( -1.512 0.414 5.971) 6.173 1.404 ( -0.973 -1.200 -0.558) 1.643 1.538 ( 3.002 0.903 4.562) 5.535 1.576 ( -0.522 -2.688 -1.426) 3.087 1.620 ( -3.391 2.227 -3.993) 5.692 1.687 ( -3.422 4.286 0.618) 5.519 1.826 ( 1.597 -5.023 -0.879) 5.343 1.887 ( -2.325 1.699 -2.832) 4.039 1.998 ( 1.355 2.140 1.793) 3.103 2.025 ( -5.148 -1.046 10.475) 11.719 2.164 ( -1.381 -0.296 2.005) 2.453 2.274 ( 0.008 -2.243 1.557) 2.730 2.302 ( -3.740 2.125 -0.136) 4.303 2.323 ( 1.436 -1.102 -2.549) 3.126 2.388 ( -1.664 2.903 -2.782) 4.352 2.910 ( 6.310 -2.519 -3.902) 7.835 4.836 ( 0.463 0.303 -0.267) 0.615 4.894 ( 0.358 -1.162 0.195) 1.231 5.236 ( 2.781 -0.167 0.338) 2.806 5.363 ( -0.240 0.064 2.266) 2.280 5.527 ( 0.558 -0.373 -1.031) 1.230 5.551 ( -2.281 -0.835 2.629) 3.579 5.675 ( -1.072 -0.135 0.937) 1.430 5.867 ( 3.047 -0.588 -5.417) 6.243 7.035 ( -0.160 0.589 1.661) 1.769 7.184 ( -0.039 -0.546 0.056) 0.550 7.708 ( -0.161 1.069 -0.431) 1.164 7.769 ( -0.235 -0.846 -0.824) 1.204 12.691 ( 4.437 -4.624 -0.441) 6.424 12.978 ( 5.257 -5.112 -1.456) 7.476 13.385 ( 2.844 -1.603 2.019) 3.838 14.287 ( -1.505 3.637 -0.020) 3.936 17.394 ( -1.383 -0.593 5.767) 5.961 17.511 ( -0.266 2.224 1.152) 2.519 18.619 ( -3.487 -4.695 9.610) 11.250 18.906 ( 0.586 -0.497 -2.040) 2.180 18.999 ( -0.486 -1.939 0.835) 2.166 19.051 ( 1.298 -2.045 -3.821) 4.524 20.996 ( 3.137 -0.009 -1.281) 3.388 21.033 ( 1.017 0.308 -2.289) 2.524 45.287 ( 1.079 1.641 0.837) 2.134 45.352 ( 0.275 -1.922 0.061) 1.943 45.667 ( -3.806 1.568 -1.613) 4.421 46.006 ( -0.785 3.322 -1.045) 3.570 98.899 ( 0.043 0.543 0.756) 0.932 98.941 ( -0.530 -1.910 1.466) 2.466 99.388 ( -1.077 -0.588 0.988) 1.575 99.542 ( 0.620 0.533 0.697) 1.074 99.615 ( -0.029 -0.604 -1.430) 1.552 99.830 ( 5.545 3.842 -0.851) 6.800 100.233 ( -1.853 -0.840 1.468) 2.509 100.460 ( -4.620 1.286 -6.045) 7.716======================= Grid point 137 (64/114) =======================q-point: (-0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( -0.706 10.542 8.634) 13.645 0.852 ( -10.739 10.673 4.609) 15.827 1.331 ( -1.612 2.559 0.923) 3.162 1.373 ( -5.823 0.653 0.159) 5.862 1.427 ( -6.611 10.241 14.536) 18.971 1.528 ( -3.308 -0.225 -4.855) 5.879 1.640 ( 1.310 -3.004 -2.171) 3.931 1.662 ( 3.091 -0.282 -1.482) 3.440 1.818 ( -1.987 1.310 -3.394) 4.145 1.924 ( 0.252 -4.521 -0.911) 4.618 2.010 ( -1.037 -0.577 1.259) 1.730 2.046 ( -3.234 -1.680 5.976) 6.999 2.116 ( -2.347 1.584 0.484) 2.872 2.234 ( -0.049 2.385 -2.044) 3.142 2.297 ( -2.734 -1.099 2.410) 3.807 2.315 ( -2.344 0.473 -1.771) 2.976 2.413 ( 4.463 -3.485 4.177) 7.037 2.955 ( 4.005 2.349 -5.480) 7.183 4.836 ( 0.967 0.359 -0.314) 1.078 4.938 ( 0.958 -3.237 -0.655) 3.439 5.273 ( 2.702 -0.015 0.271) 2.716 5.383 ( 0.820 -0.556 1.256) 1.600 5.534 ( 1.244 -0.490 -0.652) 1.488 5.546 ( -2.615 -0.391 5.498) 6.100 5.677 ( -1.231 -0.710 -0.074) 1.423 5.888 ( 2.846 -0.664 -6.014) 6.687 7.041 ( 0.154 -0.235 2.068) 2.087 7.182 ( -0.387 0.428 -0.421) 0.715 7.691 ( 0.129 0.573 -0.363) 0.691 7.766 ( -0.554 0.096 -1.449) 1.554 12.829 ( 4.025 -4.697 0.186) 6.188 13.116 ( 2.718 -5.832 -4.041) 7.598 13.528 ( 9.707 -4.548 6.056) 12.312 14.196 ( -0.582 4.186 -0.649) 4.276 17.417 ( -0.446 -0.402 5.181) 5.216 17.488 ( -0.691 1.282 3.271) 3.580 18.723 ( 0.478 -4.390 1.072) 4.544 18.927 ( 1.541 -1.767 -0.701) 2.447 19.037 ( -4.695 -6.106 -1.109) 7.782 19.103 ( 2.194 -4.004 1.883) 4.939 21.033 ( 2.764 -0.889 -0.880) 3.034 21.057 ( 1.875 -1.889 0.529) 2.714 45.291 ( 1.449 0.170 1.831) 2.342 45.394 ( 1.007 -1.830 0.331) 2.115 45.574 ( -4.374 2.614 -1.145) 5.222 45.882 ( -3.678 6.903 -3.914) 8.746 98.910 ( 0.757 -0.789 1.177) 1.606 98.981 ( -1.255 -3.032 1.904) 3.794 99.386 ( -0.482 0.058 0.120) 0.500 99.539 ( 0.442 1.027 -0.156) 1.129 99.619 ( 0.499 -0.428 -1.511) 1.648 99.798 ( 4.653 6.323 -3.883) 8.759 100.221 ( -3.001 -0.263 -0.657) 3.083 100.353 ( -4.675 1.795 -0.025) 5.008======================= Grid point 138 (65/114) =======================q-point: (-0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( -1.599 7.072 11.450) 13.553 0.693 ( -0.573 6.431 14.250) 15.644 1.238 ( -7.272 3.301 5.868) 9.910 1.278 ( -6.766 3.153 1.736) 7.663 1.309 ( -0.581 3.688 8.468) 9.255 1.503 ( -3.330 -2.163 -2.475) 4.679 1.633 ( 0.776 1.084 -2.228) 2.596 1.716 ( 1.961 -0.466 -3.260) 3.833 1.773 ( -1.669 -1.068 -1.946) 2.777 1.945 ( -3.640 -0.011 -3.233) 4.868 1.964 ( -2.523 2.196 -2.762) 4.338 2.020 ( 0.426 -0.698 -2.447) 2.580 2.186 ( 0.981 -5.403 3.293) 6.403 2.225 ( 4.021 -0.403 0.271) 4.050 2.287 ( -0.828 0.163 0.717) 1.107 2.294 ( -2.577 -0.572 1.259) 2.924 2.545 ( 1.086 -4.502 7.227) 8.583 2.860 ( 1.344 8.993 -3.741) 9.832 4.846 ( 1.467 -0.072 -0.026) 1.469 5.000 ( 0.493 -3.475 -3.858) 5.216 5.300 ( 2.002 0.049 0.467) 2.056 5.390 ( -1.127 -0.095 -0.201) 1.149 5.555 ( -1.237 -2.285 2.906) 3.898 5.592 ( 2.054 -0.986 4.331) 4.893 5.662 ( -1.554 0.385 -0.294) 1.627 5.886 ( 1.988 0.672 -6.070) 6.423 7.060 ( 0.157 -0.350 2.219) 2.252 7.161 ( -0.451 0.836 -0.807) 1.247 7.687 ( 0.097 0.119 -0.110) 0.189 7.745 ( -0.336 0.498 -1.968) 2.057 12.916 ( 1.168 -1.908 1.182) 2.530 13.166 ( -3.520 -3.044 -5.506) 7.209 13.771 ( 11.957 -3.978 8.071) 14.964 14.165 ( 3.148 0.810 -0.547) 3.297 17.447 ( -1.775 -0.885 6.258) 6.565 17.481 ( 1.007 1.110 3.245) 3.575 18.749 ( 2.079 0.204 -5.590) 5.968 18.927 ( -1.872 -0.033 -7.475) 7.706 19.097 ( -1.212 -3.488 2.145) 4.271 19.293 ( -1.894 -14.136 -0.535) 14.273 21.092 ( 1.632 -2.780 1.462) 3.539 21.120 ( 1.835 -1.868 0.813) 2.742 45.335 ( 1.826 -2.146 1.971) 3.438 45.429 ( -0.398 -1.245 0.296) 1.340 45.492 ( -1.303 1.862 -0.971) 2.471 45.662 ( -6.326 9.311 -4.140) 11.994 98.946 ( 1.024 -0.972 1.590) 2.127 99.041 ( -2.355 -5.852 0.498) 6.328 99.377 ( -0.084 0.517 -0.545) 0.756 99.477 ( -2.464 5.779 -3.716) 7.299 99.628 ( 0.966 -0.149 -0.964) 1.373 99.683 ( -0.994 4.879 -2.539) 5.589 100.224 ( 5.756 -0.340 1.880) 6.065 100.309 ( -1.486 1.311 3.173) 3.741======================= Grid point 140 (66/114) =======================q-point: ( 0.12 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 1.259 -0.000 5.533) 5.674 1.038 ( 3.680 -0.000 14.386) 14.849 1.131 ( 6.257 -0.000 -3.182) 7.020 1.209 ( 5.438 -0.000 -8.359) 9.972 1.419 ( 6.255 -0.000 9.385) 11.278 1.431 ( -1.941 0.000 6.074) 6.377 1.651 ( 0.774 -0.000 -2.593) 2.706 1.761 ( 3.987 -0.000 -3.208) 5.118 1.793 ( -0.188 0.000 6.595) 6.598 1.806 ( 2.464 -0.000 -1.401) 2.835 1.861 ( -0.829 0.000 -0.591) 1.018 2.040 ( 3.627 -0.000 -4.788) 6.007 2.210 ( -4.126 0.000 -1.833) 4.515 2.255 ( -2.283 0.000 -0.978) 2.484 2.311 ( -3.404 0.000 6.165) 7.042 2.342 ( 2.460 -0.000 -1.540) 2.902 2.608 ( 3.952 -0.000 -5.752) 6.979 2.880 ( 2.256 -0.000 2.348) 3.256 4.895 ( 0.421 -0.000 0.757) 0.866 4.895 ( -3.235 0.000 -2.362) 4.005 5.294 ( -2.504 0.000 -0.771) 2.620 5.357 ( 0.076 -0.000 2.386) 2.387 5.564 ( -3.121 0.000 -0.102) 3.123 5.613 ( -2.254 0.000 5.503) 5.947 5.674 ( 1.126 -0.000 0.031) 1.127 5.856 ( 1.396 -0.000 -5.386) 5.564 7.094 ( -0.323 0.000 2.551) 2.571 7.140 ( 0.480 -0.000 -1.613) 1.683 7.682 ( -0.122 0.000 0.259) 0.286 7.725 ( 0.648 -0.000 -1.526) 1.658 12.944 ( -4.799 0.000 -0.747) 4.857 12.996 ( -0.456 0.000 5.739) 5.757 13.973 ( -13.398 0.000 -9.708) 16.545 14.034 ( -5.676 0.000 3.294) 6.562 17.392 ( -3.729 0.000 4.028) 5.489 17.629 ( 2.315 -0.000 2.734) 3.583 18.588 ( -9.313 0.000 0.015) 9.313 18.817 ( 4.870 -0.000 -2.797) 5.616 19.125 ( -8.152 0.000 1.739) 8.335 19.126 ( -2.997 0.000 5.160) 5.967 21.105 ( 0.071 -0.000 -0.584) 0.588 21.196 ( -0.292 0.000 0.366) 0.468 45.298 ( -2.964 0.000 1.553) 3.346 45.398 ( -0.592 0.000 1.535) 1.645 45.543 ( 5.456 -0.000 -1.260) 5.599 45.663 ( 9.939 -0.000 0.250) 9.942 98.949 ( -3.793 0.000 1.534) 4.092 98.984 ( -0.734 0.000 2.860) 2.952 99.400 ( 1.869 -0.000 0.446) 1.921 99.402 ( 3.738 -0.000 -0.884) 3.841 99.624 ( 0.257 -0.000 -0.015) 0.258 99.660 ( 0.947 -0.000 -0.880) 1.293 100.162 ( -3.259 0.000 0.188) 3.264 100.677 ( 11.133 -0.000 -11.346) 15.896======================= Grid point 141 (67/114) =======================q-point: ( 0.25 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( 4.722 -1.080 2.454) 5.430 1.148 ( 2.312 -2.922 9.045) 9.783 1.215 ( 7.222 -1.406 -0.259) 7.362 1.253 ( 5.247 -2.139 -5.344) 7.789 1.449 ( -0.331 0.428 6.588) 6.611 1.509 ( 5.470 2.775 3.444) 7.034 1.682 ( -1.065 2.256 2.064) 3.238 1.710 ( 1.883 0.301 -1.611) 2.496 1.794 ( 3.084 -2.268 -3.745) 5.356 1.902 ( 6.787 -1.026 6.026) 9.134 1.961 ( 1.703 -5.501 1.429) 5.933 2.049 ( 0.664 2.089 -0.708) 2.304 2.102 ( -2.660 2.704 -1.744) 4.175 2.217 ( -2.307 -0.456 -1.614) 2.852 2.305 ( -0.252 0.768 1.541) 1.740 2.381 ( 0.448 -1.991 0.094) 2.043 2.599 ( 2.492 2.066 -6.999) 7.711 2.903 ( -0.290 0.435 1.015) 1.142 4.848 ( -1.914 0.574 -1.156) 2.308 4.898 ( -0.122 0.237 0.385) 0.468 5.263 ( -1.434 0.583 -0.427) 1.606 5.368 ( -0.801 -0.224 2.697) 2.822 5.514 ( -2.958 1.396 -1.016) 3.425 5.577 ( -1.905 2.719 5.022) 6.020 5.715 ( -0.257 -2.578 0.119) 2.594 5.851 ( 1.569 -0.555 -5.388) 5.639 7.107 ( -0.724 -0.635 2.830) 2.990 7.132 ( 0.495 0.621 -1.991) 2.144 7.678 ( -0.302 0.097 -0.163) 0.357 7.737 ( 0.857 -0.964 -0.608) 1.426 12.848 ( -3.878 5.593 1.967) 7.084 13.004 ( -1.428 1.682 5.223) 5.670 13.698 ( -16.952 4.280 -7.650) 19.084 14.025 ( -8.557 -7.730 -0.406) 11.539 17.371 ( -2.775 0.017 3.156) 4.203 17.650 ( 0.630 0.805 1.498) 1.813 18.515 ( -7.069 -1.120 4.831) 8.635 18.870 ( 4.013 -1.394 -2.193) 4.781 19.024 ( -5.423 2.896 2.550) 6.655 19.098 ( -3.369 1.651 3.891) 5.406 21.094 ( 1.188 1.321 -2.503) 3.069 21.166 ( -0.959 2.164 -0.824) 2.507 45.287 ( -1.299 -0.545 0.987) 1.720 45.409 ( 1.100 0.715 1.380) 1.904 45.604 ( 4.856 -1.311 -1.870) 5.366 45.808 ( 10.074 -2.748 0.564) 10.457 98.913 ( -1.901 0.723 1.239) 2.381 98.992 ( -0.819 0.023 2.625) 2.750 99.364 ( 1.262 2.758 0.277) 3.046 99.493 ( 2.021 -2.663 0.003) 3.343 99.616 ( -0.044 0.672 -0.697) 0.969 99.703 ( 2.570 -3.175 -0.836) 4.170 100.153 ( -0.725 -1.341 0.792) 1.718 100.695 ( 6.383 2.908 -11.146) 13.169======================= Grid point 142 (68/114) =======================q-point: ( 0.38 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( 6.454 -2.288 1.382) 6.986 1.268 ( 6.957 -2.740 -5.179) 9.095 1.295 ( -0.729 -2.835 9.869) 10.293 1.375 ( 8.534 -0.921 1.892) 8.790 1.454 ( 1.136 1.499 3.686) 4.138 1.528 ( 3.741 2.344 4.670) 6.426 1.606 ( -0.811 2.075 0.177) 2.235 1.751 ( 1.232 -0.158 0.980) 1.582 1.860 ( 1.854 -1.172 -2.485) 3.315 1.914 ( -0.548 3.777 -0.619) 3.867 2.012 ( 0.783 0.990 1.423) 1.902 2.064 ( -3.201 -2.470 -2.727) 4.877 2.101 ( 3.999 -3.427 2.844) 5.986 2.248 ( 1.191 -3.173 1.196) 3.594 2.282 ( 0.105 1.816 -0.853) 2.010 2.404 ( -2.149 -0.627 0.960) 2.435 2.545 ( 3.194 3.201 -6.363) 7.806 2.860 ( -2.200 2.631 -0.251) 3.439 4.827 ( -0.619 -0.200 -0.493) 0.816 4.892 ( -0.171 0.307 0.007) 0.352 5.244 ( 0.353 0.590 -0.198) 0.715 5.372 ( -1.944 -0.399 3.405) 3.941 5.449 ( -1.872 1.372 -2.132) 3.152 5.549 ( -1.522 1.244 5.530) 5.869 5.735 ( -1.110 -0.858 -1.367) 1.958 5.857 ( 1.705 -0.695 -4.979) 5.309 7.107 ( -0.306 1.383 0.352) 1.460 7.127 ( -0.511 -1.064 0.509) 1.285 7.680 ( -0.097 -0.875 -0.419) 0.975 7.759 ( 0.573 -0.490 0.128) 0.764 12.712 ( -2.149 6.381 1.967) 7.015 12.955 ( -1.154 3.865 2.894) 4.964 13.438 ( -13.917 1.123 -4.776) 14.756 14.098 ( -8.632 -11.567 -0.027) 14.433 17.361 ( -1.957 -0.253 3.345) 3.884 17.631 ( -0.735 1.596 0.092) 1.760 18.502 ( -5.770 -1.874 8.302) 10.283 18.922 ( 1.377 -0.889 -0.874) 1.858 18.947 ( -1.596 0.998 0.099) 1.885 19.045 ( -1.884 2.305 2.231) 3.720 21.060 ( 1.137 2.501 -3.357) 4.338 21.115 ( 0.163 1.973 -3.053) 3.639 45.290 ( -0.236 -0.557 0.125) 0.618 45.401 ( 1.701 2.506 0.417) 3.057 45.671 ( 3.376 -1.517 -1.411) 3.961 45.961 ( 7.363 -2.584 0.609) 7.827 98.895 ( -0.793 0.188 0.721) 1.089 98.982 ( -0.736 1.370 1.622) 2.247 99.348 ( 0.088 0.454 1.247) 1.330 99.534 ( 0.581 -0.782 0.344) 1.034 99.605 ( 0.138 0.279 -0.672) 0.741 99.793 ( 3.531 -3.339 -1.615) 5.121 100.187 ( 0.498 -1.565 2.070) 2.643 100.635 ( 2.801 4.215 -9.147) 10.453======================= Grid point 143 (69/114) =======================q-point: (-0.50 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 5.337 -0.164 -0.465) 5.360 1.314 ( 1.292 3.649 2.056) 4.383 1.362 ( -1.505 -0.686 8.045) 8.213 1.434 ( 6.883 0.374 -1.027) 6.969 1.501 ( 2.335 0.078 0.399) 2.370 1.559 ( 4.259 2.123 4.885) 6.820 1.637 ( 3.624 -3.291 0.265) 4.903 1.748 ( 1.005 4.614 0.820) 4.793 1.784 ( -3.896 0.857 3.582) 5.361 1.907 ( -1.178 0.581 -5.787) 5.934 2.002 ( -0.292 -2.188 -1.467) 2.651 2.062 ( -3.122 -0.903 3.728) 4.946 2.194 ( 1.567 -2.112 -0.965) 2.801 2.221 ( 0.310 4.025 0.494) 4.067 2.303 ( -1.565 -0.714 2.608) 3.124 2.355 ( -2.643 1.465 -0.990) 3.180 2.515 ( 1.630 3.112 -3.346) 4.851 2.815 ( 1.001 -0.792 -2.134) 2.487 4.831 ( 0.141 -0.517 -0.155) 0.558 4.884 ( -0.285 0.193 -0.213) 0.405 5.249 ( 2.729 0.658 -0.602) 2.871 5.365 ( -2.607 -0.049 3.848) 4.648 5.440 ( 0.509 -2.265 -1.687) 2.869 5.545 ( -1.530 0.429 5.085) 5.327 5.708 ( -2.313 0.735 -1.319) 2.762 5.860 ( 1.755 -0.215 -5.385) 5.667 7.078 ( -0.279 1.667 0.617) 1.799 7.144 ( -0.689 -1.434 0.426) 1.647 7.700 ( -0.026 -1.517 -0.336) 1.554 7.764 ( 0.131 0.472 0.197) 0.528 12.640 ( 2.307 2.266 0.522) 3.276 12.921 ( 3.907 1.886 1.122) 4.481 13.311 ( -8.771 -2.801 -1.512) 9.331 14.178 ( -10.854 -9.997 0.233) 14.758 17.368 ( -1.597 -0.723 4.497) 4.826 17.587 ( -1.135 1.930 -0.670) 2.337 18.517 ( -5.213 -1.955 10.480) 11.867 18.903 ( -0.754 0.725 1.082) 1.505 18.973 ( 1.359 -2.390 -4.038) 4.885 19.010 ( 0.125 1.698 1.259) 2.118 21.020 ( 1.278 1.624 -3.091) 3.718 21.073 ( 0.949 1.654 -4.450) 4.842 45.304 ( 0.882 -0.832 -0.251) 1.238 45.374 ( 1.867 3.053 -0.012) 3.578 45.703 ( 1.019 0.435 -0.507) 1.219 46.048 ( 3.024 -0.382 -0.467) 3.084 98.895 ( -0.247 -0.495 0.696) 0.889 98.951 ( -0.550 1.828 0.815) 2.076 99.358 ( -0.468 -0.714 2.094) 2.261 99.546 ( -0.009 -0.220 0.287) 0.361 99.603 ( 0.403 -0.004 -0.526) 0.663 99.867 ( 3.780 -1.751 -3.066) 5.173 100.222 ( 0.292 -0.428 2.726) 2.775 100.542 ( -0.194 3.996 -6.420) 7.565======================= Grid point 144 (70/114) =======================q-point: (-0.38 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 3.450 6.266 1.450) 7.298 1.199 ( -4.594 8.492 2.053) 9.871 1.372 ( -1.815 1.452 5.913) 6.353 1.453 ( 2.082 4.302 -3.110) 5.702 1.527 ( 2.266 -1.712 -2.610) 3.857 1.594 ( 1.655 0.343 0.809) 1.873 1.661 ( 2.277 4.585 1.559) 5.351 1.719 ( -1.220 -0.022 2.913) 3.158 1.789 ( 2.663 -0.895 -0.291) 2.825 1.851 ( -2.951 -0.530 -2.194) 3.715 2.009 ( -1.978 0.341 2.950) 3.568 2.052 ( -4.033 2.242 8.017) 9.250 2.154 ( -0.769 0.890 2.408) 2.680 2.244 ( 0.423 -1.502 -1.446) 2.127 2.297 ( -2.847 0.960 -0.939) 3.148 2.312 ( -0.356 0.382 4.834) 4.862 2.429 ( 0.752 3.644 -5.951) 7.018 2.884 ( 3.483 -4.428 -4.763) 7.378 4.841 ( 0.479 -0.228 -0.021) 0.531 4.881 ( -0.263 -0.431 -0.103) 0.515 5.279 ( 4.241 0.374 -0.516) 4.288 5.365 ( -1.220 -0.670 3.088) 3.387 5.492 ( 1.332 -2.760 -1.801) 3.554 5.543 ( -1.905 0.252 4.688) 5.067 5.659 ( -3.353 0.396 0.443) 3.405 5.858 ( 2.006 -0.477 -6.142) 6.478 7.056 ( -0.182 1.078 1.627) 1.960 7.163 ( -0.496 -1.372 -0.191) 1.471 7.716 ( -0.106 -0.304 -0.259) 0.413 7.754 ( -0.231 0.249 -0.359) 0.494 12.695 ( 6.672 -2.145 -0.213) 7.011 12.982 ( 5.602 -1.048 -1.304) 5.846 13.333 ( -0.513 -6.794 2.742) 7.345 14.178 ( -12.902 -6.311 -0.844) 14.388 17.389 ( -1.753 -1.056 5.745) 6.099 17.543 ( -0.614 1.659 -0.378) 1.809 18.558 ( -3.925 -3.171 11.833) 12.864 18.898 ( -0.077 -0.079 0.123) 0.165 18.990 ( -0.141 1.208 -0.223) 1.236 19.014 ( 1.725 -2.564 -4.012) 5.064 21.011 ( 1.513 -0.333 -2.515) 2.954 21.042 ( 1.315 0.992 -4.110) 4.428 45.332 ( 1.255 -0.281 -0.110) 1.291 45.351 ( 2.303 1.533 0.410) 2.797 45.674 ( -0.730 2.894 0.267) 2.997 46.033 ( -1.267 2.503 -2.692) 3.888 98.909 ( -0.094 -0.585 1.005) 1.166 98.925 ( -0.269 0.645 0.745) 1.021 99.375 ( -0.539 -0.634 2.350) 2.493 99.547 ( -0.315 -0.127 0.016) 0.340 99.608 ( 0.729 -0.112 -0.453) 0.865 99.903 ( 3.039 -0.032 -5.639) 6.405 100.234 ( 0.221 0.796 2.980) 3.092 100.439 ( -2.119 3.646 -3.330) 5.373======================= Grid point 145 (71/114) =======================q-point: (-0.25 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( -5.043 11.865 2.959) 13.227 1.012 ( 2.390 10.117 6.666) 12.349 1.307 ( -4.497 2.150 -4.786) 6.910 1.394 ( -0.008 3.340 3.672) 4.963 1.485 ( -4.378 2.398 -4.953) 7.032 1.585 ( 0.106 1.992 3.874) 4.358 1.648 ( 1.612 4.952 4.073) 6.612 1.712 ( 3.753 0.591 -1.345) 4.030 1.790 ( -1.632 1.344 -3.418) 4.019 1.869 ( 1.317 -2.145 2.291) 3.403 1.998 ( -2.252 0.218 6.187) 6.588 2.030 ( -2.123 0.016 7.069) 7.381 2.113 ( -4.580 1.917 0.671) 5.010 2.232 ( -2.767 -0.102 -1.949) 3.387 2.254 ( -0.890 -0.742 -0.610) 1.310 2.317 ( 0.423 1.375 1.225) 1.890 2.449 ( 6.161 -1.960 0.455) 6.481 2.952 ( 1.645 -2.674 -6.953) 7.629 4.848 ( 0.590 0.077 0.026) 0.596 4.896 ( -0.186 -1.728 -0.276) 1.759 5.312 ( 2.896 0.533 0.064) 2.946 5.379 ( -0.990 -0.699 0.669) 1.384 5.519 ( -0.694 0.251 1.619) 1.780 5.558 ( 1.210 -1.357 3.634) 4.064 5.637 ( -2.872 -1.431 0.457) 3.241 5.867 ( 2.110 -1.256 -6.669) 7.107 7.055 ( 0.196 0.211 2.397) 2.414 7.171 ( -0.687 -0.532 -0.740) 1.141 7.707 ( 0.345 0.912 -0.071) 0.977 7.749 ( -0.598 -0.313 -1.212) 1.387 12.822 ( 5.747 -2.994 0.380) 6.491 13.032 ( -0.559 -3.312 -4.507) 5.621 13.552 ( 9.277 -8.486 7.594) 14.688 14.122 ( -9.880 -4.691 -2.536) 11.227 17.414 ( -2.368 -1.124 6.501) 7.010 17.519 ( 0.549 1.063 0.618) 1.347 18.650 ( -2.619 -5.439 10.791) 12.365 18.905 ( 0.001 -1.200 0.271) 1.230 18.950 ( -1.578 1.587 -3.183) 3.891 19.066 ( 1.190 -3.209 -1.723) 3.832 21.034 ( 0.586 -1.060 -1.757) 2.134 21.044 ( 2.537 -1.505 -2.500) 3.867 45.332 ( 1.398 1.210 1.419) 2.331 45.384 ( 1.269 -1.295 0.071) 1.815 45.607 ( 0.297 4.425 0.827) 4.512 45.914 ( -4.274 5.309 -5.541) 8.784 98.915 ( 0.434 -0.115 1.209) 1.290 98.938 ( -0.955 -1.466 1.267) 2.160 99.387 ( -0.311 -0.027 2.195) 2.217 99.540 ( -0.808 0.159 -0.730) 1.101 99.620 ( 1.350 -0.152 -0.336) 1.399 99.860 ( -1.520 2.817 -8.851) 9.412 100.237 ( 0.896 1.032 3.629) 3.878 100.366 ( 1.425 2.483 -0.472) 2.902======================= Grid point 146 (72/114) =======================q-point: (-0.12 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( -0.012 7.514 9.697) 12.268 0.926 ( 4.291 9.271 10.431) 14.601 1.193 ( -3.761 2.247 -5.611) 7.119 1.321 ( -0.609 4.287 -3.051) 5.297 1.432 ( -2.778 -0.706 2.436) 3.762 1.475 ( -2.611 9.155 10.578) 14.231 1.647 ( 1.165 0.271 -2.518) 2.787 1.721 ( -1.843 1.516 -2.972) 3.811 1.736 ( 1.005 -0.606 1.327) 1.772 1.928 ( 2.242 -0.271 2.395) 3.292 1.956 ( -4.138 3.424 -2.480) 5.916 2.016 ( 0.839 0.232 -2.055) 2.231 2.101 ( -3.523 -4.223 6.666) 8.641 2.244 ( -1.557 -2.022 1.457) 2.939 2.260 ( 2.385 -0.643 0.568) 2.535 2.305 ( 2.069 0.975 -2.033) 3.061 2.557 ( 3.230 -2.005 3.904) 5.449 2.935 ( 0.215 1.789 -6.915) 7.146 4.856 ( 0.716 -0.279 0.194) 0.793 4.925 ( -1.036 -2.633 -1.477) 3.191 5.331 ( 1.867 0.516 0.774) 2.086 5.362 ( -2.937 -0.292 -0.658) 3.024 5.520 ( -1.892 -1.072 4.275) 4.796 5.613 ( -1.203 -0.805 2.918) 3.258 5.647 ( 2.379 -1.326 -0.285) 2.738 5.875 ( 1.746 -0.652 -6.710) 6.964 7.072 ( 0.407 -0.109 2.675) 2.708 7.159 ( -0.758 0.270 -1.210) 1.454 7.699 ( 0.488 0.780 0.133) 0.930 7.736 ( -0.390 0.086 -1.757) 1.802 12.903 ( 0.508 -2.192 1.831) 2.901 13.042 ( -3.762 -3.138 -4.956) 6.969 13.825 ( 6.580 -6.979 8.859) 13.057 14.119 ( -2.097 -4.665 -4.423) 6.762 17.427 ( -3.888 -0.788 6.426) 7.552 17.530 ( 2.593 0.294 1.847) 3.197 18.735 ( -2.592 -2.881 2.406) 4.561 18.870 ( -2.408 2.439 -5.639) 6.599 18.976 ( -1.360 -6.943 4.983) 8.653 19.129 ( -1.099 -4.368 0.577) 4.541 21.061 ( 0.415 -1.999 -0.057) 2.043 21.102 ( 2.061 -2.994 -1.352) 3.878 45.341 ( -0.092 0.204 2.731) 2.741 45.405 ( -0.655 -1.098 -0.277) 1.308 45.565 ( 4.678 3.998 1.093) 6.251 45.717 ( -4.797 7.850 -6.742) 11.405 98.944 ( 0.866 -1.507 1.777) 2.486 98.954 ( -2.278 -1.850 1.458) 3.277 99.384 ( -1.085 0.851 1.628) 2.134 99.505 ( -1.100 2.277 -2.679) 3.684 99.640 ( 1.898 -0.096 -0.215) 1.913 99.715 ( -3.496 4.556 -5.496) 7.949 100.245 ( -2.253 0.048 3.643) 4.284 100.407 ( 11.368 0.317 -2.685) 11.685======================= Grid point 149 (73/114) =======================q-point: ( 0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 9.518 -0.000 1.318) 9.609 1.195 ( 5.023 -0.000 3.854) 6.331 1.244 ( 1.361 -0.000 1.734) 2.205 1.304 ( 8.663 -0.000 0.610) 8.684 1.488 ( 0.149 -0.000 7.725) 7.726 1.632 ( 3.661 -0.000 4.466) 5.775 1.697 ( 4.169 -0.000 -0.737) 4.233 1.738 ( 1.040 -0.000 -4.876) 4.986 1.780 ( -1.521 0.000 1.537) 2.162 1.915 ( 1.687 -0.000 -0.927) 1.925 2.027 ( 9.523 -0.000 5.735) 11.116 2.086 ( -0.462 0.000 -4.688) 4.711 2.097 ( 1.935 -0.000 0.605) 2.027 2.152 ( -3.553 0.000 -1.936) 4.046 2.317 ( -1.047 0.000 4.113) 4.244 2.372 ( 1.710 -0.000 -2.507) 3.035 2.610 ( 1.867 -0.000 -8.226) 8.435 2.902 ( -1.953 0.000 1.144) 2.263 4.826 ( -1.342 0.000 -1.191) 1.794 4.898 ( -0.478 0.000 0.243) 0.536 5.261 ( 0.442 -0.000 -0.551) 0.706 5.369 ( -1.385 0.000 3.208) 3.494 5.494 ( -2.097 0.000 -0.944) 2.299 5.608 ( -3.001 0.000 5.474) 6.242 5.670 ( -1.371 0.000 -0.241) 1.392 5.833 ( 1.329 -0.000 -5.818) 5.968 7.103 ( -1.113 0.000 2.691) 2.912 7.135 ( 0.652 -0.000 -2.102) 2.200 7.681 ( -0.412 0.000 0.867) 0.960 7.730 ( 0.880 -0.000 -1.120) 1.424 12.899 ( 0.152 -0.000 2.649) 2.653 13.034 ( -2.293 0.000 9.130) 9.413 13.480 ( -19.020 0.000 -10.677) 21.812 13.786 ( -16.161 0.000 -0.924) 16.187 17.357 ( -1.782 0.000 2.061) 2.725 17.658 ( -1.045 0.000 0.140) 1.055 18.466 ( -4.824 0.000 7.201) 8.668 18.889 ( 2.879 -0.000 -2.177) 3.610 18.992 ( -5.467 0.000 2.376) 5.961 19.097 ( -3.282 0.000 5.074) 6.043 21.107 ( 1.790 -0.000 -4.046) 4.424 21.159 ( -2.331 0.000 -1.592) 2.823 45.283 ( 0.218 -0.000 0.832) 0.860 45.447 ( 2.443 -0.000 1.537) 2.886 45.641 ( 4.664 -0.000 -1.119) 4.796 45.903 ( 10.349 -0.000 -0.553) 10.364 98.906 ( -1.410 0.000 1.115) 1.798 98.995 ( -0.706 0.000 2.557) 2.653 99.417 ( -0.785 0.000 0.112) 0.793 99.482 ( 3.345 -0.000 -0.975) 3.484 99.631 ( 0.842 -0.000 -0.844) 1.192 99.682 ( 2.096 -0.000 -1.318) 2.476 100.155 ( 1.370 -0.000 2.757) 3.078 100.727 ( 4.182 -0.000 -11.549) 12.283======================= Grid point 150 (74/114) =======================q-point: ( 0.38 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 10.172 1.058 1.552) 10.344 1.270 ( 4.630 -2.014 -4.181) 6.556 1.315 ( 2.774 -1.969 10.921) 11.438 1.432 ( 7.881 -2.679 0.754) 8.358 1.507 ( -0.836 1.460 6.531) 6.745 1.643 ( -1.140 2.926 7.068) 7.734 1.666 ( 3.197 3.700 -1.632) 5.155 1.758 ( 2.104 -0.675 0.567) 2.282 1.837 ( 3.592 -3.665 -3.395) 6.153 1.923 ( -5.741 -3.002 -2.814) 7.064 2.027 ( 0.931 6.061 0.325) 6.141 2.056 ( 1.699 2.137 -3.215) 4.218 2.134 ( 5.363 -0.215 0.131) 5.369 2.217 ( 3.498 -3.623 1.983) 5.413 2.313 ( -0.397 1.251 2.119) 2.493 2.385 ( 0.003 -0.575 -1.134) 1.272 2.576 ( 1.327 1.071 -6.781) 6.992 2.859 ( -3.672 1.463 -0.556) 3.992 4.814 ( -0.243 -0.285 -0.780) 0.865 4.891 ( -0.631 0.105 -0.242) 0.684 5.268 ( 2.382 0.537 -0.497) 2.492 5.363 ( -2.308 0.151 3.671) 4.339 5.454 ( -0.774 1.872 -1.456) 2.495 5.577 ( -2.697 1.399 5.498) 6.281 5.676 ( -2.866 -2.329 -0.684) 3.756 5.832 ( 1.563 -1.124 -5.828) 6.138 7.105 ( -1.710 -0.474 2.669) 3.205 7.126 ( 0.777 0.695 -2.158) 2.396 7.675 ( -0.154 0.284 0.643) 0.720 7.749 ( 0.578 -1.157 -0.418) 1.359 12.844 ( 0.887 7.969 3.389) 8.705 13.032 ( -0.278 2.691 6.358) 6.910 13.226 ( -16.214 -0.930 -7.167) 17.752 13.720 ( -16.527 -13.668 -1.133) 21.477 17.352 ( -1.055 -0.206 2.007) 2.276 17.630 ( -2.191 0.614 -1.201) 2.573 18.466 ( -3.964 -0.907 9.481) 10.316 18.908 ( 1.081 -1.080 -3.105) 3.461 18.942 ( -3.223 0.953 2.471) 4.171 19.077 ( -1.386 1.577 4.395) 4.871 21.088 ( 0.522 1.812 -4.444) 4.827 21.117 ( -0.706 0.574 -4.042) 4.143 45.293 ( 0.969 -0.018 0.373) 1.039 45.460 ( 1.604 1.598 -0.120) 2.267 45.699 ( 4.726 -0.384 0.443) 4.762 46.015 ( 7.591 -0.942 -1.135) 7.733 98.896 ( -0.579 0.280 0.782) 1.012 98.993 ( -1.043 0.426 1.681) 2.023 99.380 ( -0.126 2.005 0.329) 2.035 99.522 ( 0.769 -1.228 -0.719) 1.617 99.622 ( 1.039 1.209 -0.354) 1.633 99.747 ( 2.744 -4.111 -2.721) 5.642 100.198 ( 1.568 -0.638 4.595) 4.897 100.686 ( 2.764 3.124 -10.092) 10.920======================= Grid point 151 (75/114) =======================q-point: ( 0.50 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 8.221 1.556 -0.742) 8.399 1.338 ( -0.608 -2.075 5.804) 6.193 1.408 ( 2.536 1.377 3.295) 4.380 1.476 ( 0.735 0.614 1.929) 2.154 1.548 ( 2.662 0.127 2.579) 3.709 1.640 ( 3.328 -1.295 -0.107) 3.573 1.682 ( 1.340 0.563 7.468) 7.608 1.779 ( 2.773 1.277 -1.141) 3.259 1.836 ( -5.518 1.236 -3.404) 6.600 1.906 ( 0.505 6.995 -1.186) 7.113 1.943 ( 3.249 -3.251 -2.929) 5.450 2.061 ( 0.844 0.264 1.957) 2.148 2.181 ( 2.622 -0.758 -1.561) 3.144 2.284 ( 0.101 2.019 0.714) 2.144 2.300 ( 1.497 -0.908 2.437) 3.000 2.357 ( -2.402 1.928 0.106) 3.082 2.546 ( 0.309 1.665 -4.716) 5.010 2.790 ( -2.314 0.175 -2.562) 3.456 4.822 ( 0.445 -0.681 -0.337) 0.880 4.880 ( -0.709 0.064 -0.567) 0.910 5.296 ( 4.382 0.461 -0.861) 4.490 5.348 ( -3.093 -0.074 4.039) 5.088 5.427 ( 1.157 0.265 -0.694) 1.375 5.560 ( -2.445 0.542 5.506) 6.049 5.661 ( -3.888 -0.988 -1.579) 4.311 5.843 ( 1.790 -0.924 -6.002) 6.331 7.095 ( -2.022 0.600 2.145) 3.008 7.121 ( 0.802 -0.357 -1.567) 1.796 7.683 ( 0.271 -0.680 0.605) 0.950 7.766 ( 0.103 -0.391 -0.122) 0.423 12.749 ( 3.466 5.833 1.773) 7.013 13.030 ( 4.352 2.716 3.279) 6.088 13.108 ( -9.479 -5.612 -2.759) 11.356 13.786 ( -17.304 -15.478 -0.522) 23.222 17.359 ( -0.956 -0.565 3.103) 3.295 17.584 ( -2.288 0.736 -1.855) 3.036 18.490 ( -3.943 -1.352 11.225) 11.974 18.916 ( -0.951 0.742 1.959) 2.300 18.925 ( 0.654 -1.941 -3.772) 4.292 19.059 ( 0.657 2.174 2.728) 3.550 21.034 ( -0.668 1.456 -3.929) 4.243 21.084 ( 1.175 1.114 -5.865) 6.085 45.310 ( 1.569 -0.301 0.084) 1.599 45.436 ( 0.763 2.268 -1.072) 2.622 45.747 ( 3.540 1.276 1.773) 4.160 46.076 ( 2.952 0.366 -2.091) 3.636 98.894 ( 0.042 -0.023 0.747) 0.748 98.971 ( -1.188 1.201 0.712) 1.834 99.366 ( 0.163 0.493 1.817) 1.890 99.534 ( -0.431 -0.660 -0.707) 1.059 99.617 ( 1.062 0.738 0.166) 1.304 99.827 ( 2.026 -3.802 -4.949) 6.561 100.243 ( 0.742 -0.269 5.196) 5.256 100.599 ( 1.882 5.039 -7.451) 9.190======================= Grid point 152 (76/114) =======================q-point: (-0.38 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( 3.652 3.523 0.006) 5.075 1.320 ( -1.227 7.423 2.016) 7.789 1.373 ( -4.681 -0.412 6.162) 7.749 1.499 ( 0.895 1.040 -1.229) 1.842 1.561 ( 0.889 2.234 -1.808) 3.008 1.634 ( -2.591 3.572 -5.128) 6.765 1.692 ( -2.539 -1.740 5.069) 5.930 1.767 ( 4.000 2.378 -1.806) 4.992 1.813 ( 2.296 0.130 5.512) 5.972 1.855 ( 3.428 1.251 2.090) 4.205 2.011 ( 2.637 -1.635 -1.504) 3.448 2.058 ( -2.427 1.023 4.873) 5.539 2.206 ( 0.833 1.577 -0.055) 1.785 2.231 ( -0.130 1.887 -1.392) 2.348 2.286 ( -4.671 2.226 2.409) 5.707 2.343 ( 1.280 -0.026 4.499) 4.677 2.465 ( 0.924 3.343 -6.068) 6.989 2.803 ( -0.100 -4.386 -5.168) 6.779 4.839 ( 0.617 -0.627 -0.040) 0.880 4.870 ( -0.644 -0.226 -0.436) 0.810 5.328 ( 0.515 0.216 1.482) 1.584 5.349 ( 1.719 -0.475 0.601) 1.882 5.468 ( 2.679 -2.319 0.444) 3.571 5.551 ( -2.678 0.068 5.241) 5.886 5.613 ( -4.196 0.133 -1.035) 4.324 5.844 ( 1.996 -0.292 -6.576) 6.878 7.072 ( -1.699 0.596 2.247) 2.880 7.136 ( 0.683 -1.020 -1.282) 1.775 7.703 ( 0.337 -0.853 0.476) 1.033 7.762 ( -0.117 0.651 -0.348) 0.747 12.767 ( 7.517 0.692 0.859) 7.597 12.992 ( -5.546 -0.123 -1.054) 5.647 13.248 ( 9.734 -7.958 3.620) 13.084 13.819 ( -17.507 -12.824 -2.268) 21.819 17.377 ( -1.548 -0.905 4.608) 4.944 17.544 ( -1.379 0.366 -1.594) 2.139 18.532 ( -3.547 -2.093 12.866) 13.510 18.908 ( 0.067 0.783 1.827) 1.989 18.958 ( 1.077 -2.814 -4.044) 5.043 19.037 ( 1.332 2.699 -0.119) 3.012 20.998 ( -0.524 -0.116 -3.491) 3.532 21.053 ( 1.676 0.968 -5.637) 5.960 45.338 ( 1.609 -0.704 0.139) 1.762 45.400 ( 0.122 1.870 -0.865) 2.063 45.750 ( 2.771 3.582 2.594) 5.219 46.044 ( -1.495 2.644 -3.751) 4.826 98.904 ( 0.222 -0.415 0.995) 1.101 98.941 ( -0.829 1.112 0.429) 1.452 99.377 ( -0.054 -0.259 3.012) 3.024 99.533 ( -0.817 -0.525 -0.841) 1.285 99.622 ( 1.223 0.350 0.542) 1.383 99.862 ( -0.036 -2.107 -7.255) 7.555 100.269 ( -0.182 0.516 4.874) 4.904 100.502 ( 2.392 5.351 -4.665) 7.491======================= Grid point 153 (77/114) =======================q-point: (-0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( -4.273 9.444 1.920) 10.542 1.199 ( 1.784 6.392 2.576) 7.119 1.313 ( -2.763 4.217 0.437) 5.060 1.438 ( -5.627 1.339 -2.337) 6.238 1.471 ( -0.514 3.596 0.157) 3.636 1.612 ( 1.237 0.465 0.827) 1.559 1.677 ( -3.425 0.851 -0.478) 3.561 1.771 ( 1.923 2.056 -2.922) 4.057 1.823 ( 0.189 1.676 7.536) 7.722 1.931 ( 5.643 -0.538 1.548) 5.876 2.021 ( -3.256 1.885 7.604) 8.484 2.045 ( 0.602 0.355 0.679) 0.974 2.134 ( -1.682 5.411 3.430) 6.623 2.189 ( -3.127 0.919 -1.711) 3.682 2.246 ( 1.482 -0.751 -0.807) 1.847 2.355 ( 1.276 1.536 0.476) 2.053 2.477 ( 4.581 -1.758 -0.810) 4.973 2.850 ( -1.395 -5.125 -6.960) 8.755 4.852 ( 0.233 -0.201 0.055) 0.313 4.873 ( -0.182 -0.811 -0.150) 0.845 5.327 ( -2.504 -0.881 1.640) 3.120 5.374 ( 2.198 1.092 -0.816) 2.587 5.543 ( -1.495 0.702 4.199) 4.512 5.556 ( 0.872 -3.070 0.972) 3.336 5.571 ( -1.080 -1.053 0.761) 1.689 5.842 ( 2.262 -0.630 -6.944) 7.331 7.064 ( -1.164 -0.285 2.805) 3.050 7.152 ( 0.458 -0.602 -1.343) 1.542 7.718 ( 0.344 -0.177 0.176) 0.425 7.744 ( -0.038 0.859 -0.789) 1.167 12.842 ( -0.038 -1.054 1.591) 1.908 12.953 ( 0.345 -1.519 -3.875) 4.176 13.534 ( 4.603 -9.662 8.424) 13.620 13.852 ( -4.672 -10.893 -5.658) 13.134 17.394 ( -2.644 -0.995 5.585) 6.259 17.531 ( 0.245 -0.310 -0.516) 0.650 18.601 ( -3.935 -3.165 14.148) 15.022 18.903 ( 0.163 0.636 0.559) 0.862 18.979 ( 0.304 2.037 -2.091) 2.935 19.015 ( 1.743 -1.632 -3.999) 4.658 20.995 ( -0.277 -1.808 -2.787) 3.334 21.044 ( 2.148 -0.205 -4.308) 4.818 45.362 ( 0.539 -0.151 0.376) 0.674 45.374 ( -0.683 0.314 -0.177) 0.772 45.727 ( 4.114 4.897 3.120) 7.117 45.926 ( -3.772 4.794 -5.655) 8.318 98.918 ( -0.094 -0.574 1.054) 1.204 98.924 ( -0.477 0.279 0.731) 0.916 99.396 ( -0.341 -0.170 3.652) 3.672 99.525 ( -0.833 -0.243 -1.132) 1.426 99.638 ( 1.576 0.051 0.936) 1.834 99.819 ( -2.875 0.899 -8.116) 8.657 100.267 ( -1.542 0.938 4.086) 4.467 100.454 ( 5.947 3.163 -3.391) 7.541======================= Grid point 154 (78/114) =======================q-point: (-0.12 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( -1.266 7.031 6.300) 9.525 1.136 ( 2.644 5.930 4.246) 7.758 1.219 ( 0.725 5.058 0.454) 5.130 1.337 ( -2.124 1.763 -6.535) 7.094 1.436 ( -1.546 1.643 5.446) 5.895 1.543 ( -6.794 3.076 1.709) 7.651 1.660 ( 1.292 0.990 -1.357) 2.119 1.716 ( -0.763 0.942 -2.371) 2.663 1.835 ( 2.168 3.177 5.616) 6.807 1.974 ( 0.270 3.743 8.653) 9.432 1.980 ( -1.151 3.218 -3.438) 4.848 2.025 ( -2.157 -1.448 1.908) 3.224 2.063 ( 2.154 1.798 1.480) 3.172 2.201 ( -0.229 -1.997 0.635) 2.108 2.291 ( 3.982 -0.709 0.689) 4.103 2.339 ( 2.612 1.615 -2.985) 4.283 2.555 ( 0.622 -2.685 1.332) 3.062 2.875 ( -1.475 -3.642 -6.409) 7.517 4.855 ( -0.297 -0.251 0.055) 0.392 4.885 ( -0.161 -0.891 -0.287) 0.950 5.311 ( -3.698 -0.798 0.042) 3.784 5.367 ( 0.984 1.181 1.096) 1.888 5.521 ( -1.656 0.940 3.584) 4.059 5.557 ( -3.842 -1.954 0.311) 4.321 5.667 ( 4.429 -2.352 1.333) 5.189 5.852 ( 2.427 -0.955 -6.581) 7.079 7.079 ( -0.583 -0.881 2.880) 3.068 7.150 ( 0.044 0.338 -1.337) 1.379 7.718 ( 0.072 0.974 -0.194) 0.995 7.730 ( 0.525 0.020 -0.868) 1.015 12.825 ( -7.311 -3.161 0.467) 7.978 12.974 ( 0.513 -0.494 -2.119) 2.236 13.705 ( -8.084 -11.030 4.233) 14.315 14.040 ( 10.971 -5.597 -2.555) 12.579 17.399 ( -3.633 -0.656 5.405) 6.545 17.557 ( 1.753 -1.054 1.053) 2.300 18.654 ( -7.090 -2.070 11.501) 13.669 18.908 ( 0.408 0.053 -0.280) 0.498 18.922 ( 1.797 1.899 -2.733) 3.782 19.056 ( -0.435 -3.137 -1.769) 3.627 21.022 ( 0.183 -2.665 -2.099) 3.398 21.070 ( 2.051 -1.984 -2.642) 3.888 45.354 ( -1.180 0.929 1.113) 1.869 45.373 ( -1.274 -1.366 0.012) 1.867 45.710 ( 3.685 5.072 1.288) 6.400 45.773 ( 0.510 5.901 -4.548) 7.467 98.921 ( -1.236 -0.332 1.051) 1.656 98.938 ( 0.258 -1.230 1.247) 1.771 99.395 ( -1.929 1.159 2.917) 3.684 99.513 ( 0.162 0.478 -1.129) 1.236 99.656 ( 0.194 0.294 0.286) 0.454 99.724 ( -0.525 2.394 -4.609) 5.220 100.243 ( -2.350 1.208 2.628) 3.726 100.498 ( 8.699 -0.569 -5.176) 10.139======================= Grid point 158 (79/114) =======================q-point: ( 0.38 0.38 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( 9.326 -0.000 4.279) 10.261 1.277 ( 2.442 -0.000 -0.792) 2.567 1.387 ( 4.705 -0.000 7.428) 8.793 1.496 ( 7.061 -0.000 0.604) 7.086 1.533 ( -3.345 0.000 7.651) 8.350 1.681 ( -3.666 0.000 10.128) 10.771 1.687 ( -3.929 0.000 -4.667) 6.101 1.790 ( 2.958 -0.000 -0.814) 3.068 1.811 ( 3.024 -0.000 -0.521) 3.069 1.848 ( 0.687 -0.000 -2.995) 3.073 2.089 ( 2.902 -0.000 -3.165) 4.294 2.101 ( 2.606 -0.000 -4.423) 5.134 2.192 ( 1.961 -0.000 5.397) 5.742 2.226 ( 4.001 -0.000 -3.083) 5.051 2.344 ( 0.060 -0.000 4.584) 4.585 2.366 ( 0.467 -0.000 -4.334) 4.359 2.560 ( 0.527 -0.000 -5.444) 5.469 2.820 ( -4.365 0.000 -2.050) 4.823 4.809 ( 0.487 -0.000 -0.749) 0.894 4.880 ( -0.923 0.000 -0.715) 1.167 5.306 ( 4.028 -0.000 -0.939) 4.136 5.353 ( -3.053 0.000 3.813) 4.885 5.471 ( 1.133 -0.000 -0.998) 1.510 5.578 ( -4.042 0.000 5.192) 6.580 5.609 ( -3.949 0.000 0.075) 3.950 5.812 ( 2.114 -0.000 -6.341) 6.684 7.094 ( -1.839 0.000 2.453) 3.066 7.131 ( 0.832 -0.000 -2.038) 2.201 7.680 ( -0.623 0.000 1.492) 1.617 7.743 ( 1.129 -0.000 -0.930) 1.463 12.983 ( -12.750 0.000 0.032) 12.750 12.985 ( 4.684 -0.000 1.326) 4.868 13.114 ( -1.008 0.000 2.689) 2.872 13.363 ( -17.850 0.000 -1.198) 17.890 17.351 ( -0.292 0.000 1.548) 1.576 17.596 ( -3.126 0.000 -2.243) 3.847 18.464 ( -3.608 0.000 10.392) 11.001 18.887 ( -0.033 0.000 -4.146) 4.147 18.937 ( -1.377 0.000 3.549) 3.807 19.103 ( -0.253 0.000 4.621) 4.628 21.072 ( -2.783 0.000 -3.957) 4.837 21.100 ( 1.911 -0.000 -6.552) 6.825 45.307 ( 1.125 -0.000 0.515) 1.237 45.477 ( -0.130 0.000 -1.828) 1.832 45.765 ( 5.613 -0.000 2.604) 6.187 46.078 ( 5.559 -0.000 -2.323) 6.025 98.897 ( -0.304 0.000 0.803) 0.858 98.990 ( -1.363 0.000 0.940) 1.655 99.392 ( -0.668 0.000 0.032) 0.668 99.514 ( 0.553 -0.000 -1.443) 1.545 99.651 ( 1.403 -0.000 -0.545) 1.505 99.723 ( 2.461 -0.000 -2.294) 3.365 100.234 ( 0.891 -0.000 6.304) 6.367 100.700 ( 3.271 -0.000 -10.074) 10.592======================= Grid point 159 (80/114) =======================q-point: ( 0.50 0.38 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( 3.873 1.403 1.635) 4.432 1.337 ( 0.023 -0.152 7.391) 7.393 1.467 ( 4.163 -0.027 1.133) 4.315 1.501 ( -3.260 1.267 6.333) 7.235 1.575 ( -0.750 -0.773 1.588) 1.918 1.620 ( -0.307 -1.469 -4.895) 5.120 1.695 ( -3.336 -0.073 9.744) 10.299 1.770 ( -0.409 1.515 0.419) 1.624 1.860 ( 4.923 0.761 -1.712) 5.268 1.910 ( 4.070 -4.043 -2.877) 6.418 2.042 ( 1.476 5.374 -1.507) 5.773 2.107 ( 2.430 2.352 -0.796) 3.474 2.198 ( 1.206 0.428 -2.166) 2.516 2.284 ( 0.517 -2.298 2.180) 3.209 2.325 ( -0.267 1.567 -3.392) 3.746 2.361 ( -0.914 0.564 2.339) 2.574 2.549 ( 1.422 0.541 -4.242) 4.507 2.749 ( -3.676 0.761 -3.564) 5.177 4.819 ( 1.008 -0.386 -0.414) 1.156 4.865 ( -1.006 -0.099 -1.050) 1.457 5.331 ( -3.516 0.151 3.634) 5.059 5.352 ( 5.290 0.157 -1.256) 5.440 5.462 ( 1.547 1.941 0.203) 2.490 5.553 ( -4.164 0.220 5.007) 6.516 5.586 ( -3.557 -2.031 -0.542) 4.132 5.819 ( 2.484 -0.973 -6.278) 6.821 7.082 ( -2.245 0.073 2.291) 3.209 7.129 ( 1.173 0.345 -1.858) 2.225 7.683 ( -0.136 -0.258 1.473) 1.501 7.758 ( 0.849 -0.582 -0.781) 1.292 12.874 ( -6.735 -0.017 1.789) 6.969 12.927 ( -0.100 3.739 -2.684) 4.604 13.153 ( 6.570 0.415 3.348) 7.385 13.345 ( -13.314 -13.191 0.712) 18.756 17.359 ( -0.167 -0.171 2.330) 2.343 17.547 ( -3.111 -0.068 -2.641) 4.082 18.481 ( -3.547 -0.890 11.010) 11.602 18.876 ( 0.365 -1.272 -4.909) 5.085 18.947 ( 0.870 0.724 4.271) 4.419 19.112 ( 0.687 1.391 2.977) 3.357 21.015 ( -2.320 0.653 -4.156) 4.804 21.083 ( 1.552 0.552 -6.921) 7.114 45.324 ( 1.092 -0.190 0.644) 1.281 45.450 ( -1.191 0.848 -2.442) 2.846 45.831 ( 4.482 1.169 3.671) 5.910 46.101 ( 1.506 0.816 -3.268) 3.689 98.899 ( 0.126 0.003 0.985) 0.993 98.971 ( -1.665 0.467 0.133) 1.734 99.385 ( 0.245 0.554 1.199) 1.343 99.512 ( -0.551 -0.525 -1.631) 1.800 99.649 ( 1.164 1.237 0.215) 1.712 99.764 ( 1.213 -2.885 -3.910) 5.008 100.271 ( -0.331 -0.172 6.683) 6.694 100.666 ( 3.828 3.206 -8.973) 10.268======================= Grid point 160 (81/114) =======================q-point: (-0.38 -0.62 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( -1.089 3.563 2.261) 4.358 1.327 ( -5.605 -1.227 7.551) 9.484 1.435 ( -0.344 5.470 1.298) 5.632 1.506 ( -4.001 0.197 -1.148) 4.167 1.529 ( -2.274 0.325 0.767) 2.422 1.647 ( 2.761 0.335 -3.190) 4.232 1.674 ( -2.351 1.216 4.769) 5.455 1.803 ( 1.784 -2.209 3.578) 4.568 1.880 ( 3.689 1.846 -1.689) 4.457 1.960 ( 0.185 4.349 2.445) 4.993 2.007 ( 4.030 -1.943 -1.084) 4.604 2.075 ( -0.582 1.897 0.609) 2.076 2.193 ( -2.716 -1.454 -3.478) 4.646 2.256 ( -1.431 2.757 -1.989) 3.688 2.301 ( -1.025 1.285 3.157) 3.559 2.379 ( 1.272 -0.108 4.444) 4.624 2.519 ( 3.595 2.904 -5.209) 6.964 2.705 ( -2.155 -2.030 -5.055) 5.858 4.837 ( 0.818 -0.508 -0.154) 0.975 4.854 ( -0.668 -0.368 -0.816) 1.117 5.307 ( -3.500 -0.205 2.929) 4.568 5.402 ( 4.897 0.445 -1.607) 5.173 5.466 ( -0.613 -0.860 2.311) 2.541 5.526 ( -2.156 -0.112 3.011) 3.705 5.583 ( -1.272 -0.681 0.365) 1.488 5.831 ( 2.473 -0.482 -6.423) 6.899 7.062 ( -2.451 0.244 2.229) 3.322 7.135 ( 1.567 -0.161 -1.547) 2.208 7.700 ( 0.252 -0.725 1.319) 1.527 7.767 ( 0.564 0.128 -0.895) 1.065 12.827 ( -5.232 -0.559 2.404) 5.785 12.928 ( 5.580 -0.522 -1.813) 5.891 13.256 ( -2.440 -5.124 4.883) 7.487 13.454 ( 1.917 -11.017 -3.309) 11.662 17.372 ( -0.906 -0.247 3.797) 3.912 17.511 ( -2.045 -0.750 -2.292) 3.162 18.521 ( -3.053 -1.755 12.083) 12.586 18.894 ( 1.083 -2.276 -4.340) 5.019 18.963 ( 1.703 1.595 3.398) 4.122 19.098 ( 1.177 2.478 0.090) 2.745 20.967 ( -1.553 0.030 -3.488) 3.819 21.057 ( 1.471 0.676 -6.402) 6.603 45.342 ( 0.296 -0.426 0.874) 1.016 45.408 ( -1.276 0.913 -2.011) 2.550 45.859 ( 3.305 2.662 3.987) 5.823 46.049 ( -2.410 2.525 -4.333) 5.564 98.909 ( 0.319 -0.098 1.342) 1.383 98.943 ( -1.341 0.569 -0.081) 1.459 99.391 ( 0.118 0.170 2.689) 2.697 99.506 ( -0.834 -0.735 -1.625) 1.969 99.648 ( 0.968 0.614 0.980) 1.508 99.789 ( -0.583 -2.089 -5.850) 6.239 100.290 ( -1.575 0.304 5.863) 6.078 100.605 ( 4.661 4.754 -7.385) 9.943======================= Grid point 161 (82/114) =======================q-point: (-0.25 -0.62 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( -8.623 5.202 1.060) 10.126 1.297 ( -4.284 2.325 4.562) 6.676 1.364 ( 0.948 3.628 3.063) 4.842 1.404 ( -3.346 3.449 -0.349) 4.818 1.510 ( -1.321 1.904 1.534) 2.779 1.624 ( -2.257 1.523 2.450) 3.663 1.672 ( 1.199 0.368 -2.182) 2.517 1.825 ( 1.019 3.680 -3.422) 5.127 1.894 ( -2.263 4.088 5.093) 6.911 1.906 ( -1.453 -3.692 6.055) 7.239 2.054 ( -0.874 0.469 0.479) 1.102 2.056 ( 0.686 -0.353 -1.993) 2.137 2.145 ( -1.242 -1.279 -1.809) 2.539 2.240 ( 0.038 1.589 0.437) 1.649 2.269 ( 2.709 2.139 1.367) 3.712 2.400 ( 0.403 0.835 2.760) 2.911 2.510 ( 4.030 1.618 -2.898) 5.221 2.713 ( -1.334 -4.158 -5.709) 7.188 4.844 ( -0.381 -0.509 -0.387) 0.745 4.862 ( 0.576 -0.575 0.093) 0.820 5.283 ( -3.697 -0.547 1.451) 4.009 5.412 ( -0.740 0.748 0.529) 1.178 5.483 ( -0.557 -1.602 0.433) 1.750 5.558 ( -0.363 -0.403 4.911) 4.940 5.590 ( 3.010 -0.820 -0.625) 3.182 5.832 ( 2.550 -0.066 -6.647) 7.120 7.048 ( -2.017 -0.508 2.356) 3.143 7.151 ( 1.444 -0.282 -1.143) 1.863 7.718 ( 0.161 -0.481 0.733) 0.891 7.760 ( 0.659 0.945 -0.968) 1.504 12.767 ( -7.439 -0.261 0.811) 7.488 13.014 ( 8.607 2.228 -1.812) 9.074 13.293 ( -13.982 -11.749 3.240) 18.548 13.762 ( 18.521 -10.194 -1.527) 21.196 17.380 ( -2.106 -0.275 4.843) 5.289 17.509 ( -0.366 -1.636 -1.087) 1.998 18.579 ( -3.591 -2.090 13.375) 14.005 18.921 ( 0.424 -0.591 -1.318) 1.505 18.964 ( 1.401 0.520 -0.658) 1.632 19.058 ( 1.740 3.221 -2.776) 4.594 20.951 ( -0.506 -1.181 -2.586) 2.888 21.041 ( 1.709 -0.064 -5.156) 5.432 45.340 ( -2.289 -0.406 0.206) 2.334 45.383 ( -0.022 0.604 -0.468) 0.764 45.861 ( 2.909 3.501 3.505) 5.745 45.936 ( -3.037 3.695 -4.755) 6.744 98.915 ( -0.596 -0.117 0.986) 1.158 98.927 ( -0.268 0.390 0.507) 0.693 99.406 ( -0.498 -0.216 3.688) 3.728 99.504 ( -0.350 -0.735 -1.324) 1.554 99.660 ( 0.851 0.009 1.555) 1.772 99.763 ( -1.768 -0.160 -6.303) 6.549 100.280 ( -2.333 0.914 4.138) 4.838 100.557 ( 5.562 3.699 -6.222) 9.129======================= Grid point 162 (83/114) =======================q-point: (-0.12 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -3.898 3.310 3.409) 6.146 1.239 ( -0.684 2.554 2.579) 3.693 1.309 ( -1.133 2.418 -0.291) 2.686 1.341 ( 0.303 4.513 5.634) 7.225 1.470 ( -1.489 1.460 3.037) 3.684 1.544 ( -3.903 4.447 1.616) 6.134 1.679 ( 1.411 -0.034 -2.654) 3.006 1.729 ( -2.284 3.334 -1.657) 4.368 1.844 ( -3.645 0.182 4.828) 6.052 1.969 ( -2.522 -2.020 5.424) 6.314 2.013 ( 0.523 2.127 -4.161) 4.703 2.071 ( 1.137 -1.066 -0.117) 1.563 2.174 ( 0.905 2.970 3.238) 4.487 2.184 ( 2.273 1.398 -0.493) 2.714 2.329 ( 5.387 -1.387 -0.001) 5.563 2.387 ( 0.677 1.705 -0.991) 2.085 2.501 ( -2.920 -0.871 -1.405) 3.356 2.760 ( 0.578 -4.397 -3.851) 5.873 4.845 ( -0.487 -0.228 -0.180) 0.568 4.877 ( 0.378 -0.439 0.087) 0.586 5.257 ( -3.410 -0.807 0.371) 3.524 5.392 ( -1.641 0.370 2.260) 2.818 5.496 ( -0.190 -0.178 -1.743) 1.763 5.546 ( -1.832 1.382 4.307) 4.880 5.671 ( 3.154 -2.725 0.526) 4.201 5.839 ( 3.019 -0.713 -6.058) 6.806 7.057 ( -1.335 -1.425 2.042) 2.825 7.159 ( 0.789 0.437 -0.543) 1.053 7.728 ( 0.141 -0.195 0.026) 0.242 7.743 ( 0.748 1.251 -0.689) 1.612 12.697 ( -6.693 -1.232 -0.253) 6.810 12.979 ( -2.786 2.609 -1.009) 3.948 13.418 ( -4.788 -12.046 0.368) 12.968 14.106 ( 15.287 -5.804 0.647) 16.364 17.379 ( -2.779 -0.159 5.052) 5.768 17.544 ( 0.685 -2.289 0.313) 2.410 18.615 ( -6.383 -0.727 13.000) 14.501 18.905 ( 0.188 0.878 -0.960) 1.315 18.976 ( 0.937 0.371 -1.557) 1.855 19.018 ( 1.746 1.145 -3.930) 4.450 20.970 ( 0.561 -2.307 -2.115) 3.180 21.051 ( 1.845 -1.244 -3.824) 4.424 45.328 ( -1.868 -1.352 -0.049) 2.306 45.361 ( -1.468 1.156 0.165) 1.876 45.782 ( -2.105 4.338 -3.959) 6.239 45.897 ( 5.379 3.118 2.448) 6.682 98.916 ( -0.754 0.189 0.687) 1.037 98.923 ( -0.288 -0.678 0.896) 1.160 99.405 ( -1.914 0.949 2.726) 3.464 99.514 ( 0.734 -0.552 -0.053) 0.920 99.655 ( -1.619 0.975 -1.158) 2.216 99.738 ( 2.145 -0.366 -1.457) 2.619 100.252 ( -1.975 1.188 2.173) 3.167 100.549 ( 5.076 0.865 -6.477) 8.274======================= Grid point 167 (84/114) =======================q-point: (-0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( -4.614 0.000 8.099) 9.320 1.351 ( -7.406 0.000 2.574) 7.840 1.488 ( -2.040 0.000 2.231) 3.023 1.523 ( -0.746 0.000 2.405) 2.518 1.526 ( 1.233 -0.000 4.146) 4.325 1.630 ( 4.580 -0.000 -2.939) 5.442 1.719 ( -1.314 0.000 9.235) 9.328 1.836 ( 2.715 -0.000 -2.243) 3.522 1.856 ( 0.621 -0.000 -0.425) 0.752 1.914 ( 4.493 -0.000 -2.376) 5.082 2.098 ( -1.046 0.000 0.839) 1.341 2.109 ( -2.121 0.000 -4.984) 5.416 2.201 ( -0.527 0.000 -2.258) 2.319 2.285 ( 1.856 -0.000 5.056) 5.386 2.304 ( -1.586 0.000 -6.419) 6.612 2.380 ( 0.420 -0.000 4.778) 4.796 2.560 ( 3.145 -0.000 -5.282) 6.148 2.699 ( -2.924 0.000 -4.366) 5.255 4.829 ( 1.591 -0.000 -0.159) 1.598 4.846 ( -1.035 0.000 -1.425) 1.761 5.306 ( -3.645 0.000 2.997) 4.718 5.406 ( 5.279 -0.000 -1.790) 5.574 5.504 ( -4.990 0.000 0.613) 5.028 5.519 ( 2.339 -0.000 0.796) 2.471 5.533 ( -3.170 0.000 4.511) 5.514 5.814 ( 3.215 -0.000 -6.132) 6.923 7.071 ( -1.937 0.000 2.066) 2.832 7.137 ( 1.153 -0.000 -1.523) 1.910 7.683 ( -0.427 0.000 1.597) 1.653 7.762 ( 1.358 -0.000 -1.135) 1.770 12.793 ( -3.272 0.000 2.025) 3.848 12.923 ( -8.583 0.000 -3.697) 9.345 13.212 ( 5.945 -0.000 2.975) 6.648 13.223 ( 5.501 -0.000 2.183) 5.919 17.371 ( 0.223 -0.000 2.680) 2.690 17.495 ( -3.248 0.000 -2.798) 4.287 18.489 ( -2.556 0.000 10.811) 11.110 18.849 ( 1.356 -0.000 -5.399) 5.567 18.997 ( 2.359 -0.000 5.489) 5.975 19.143 ( 0.575 -0.000 1.448) 1.558 20.973 ( -2.370 0.000 -3.625) 4.331 21.071 ( 1.255 -0.000 -6.957) 7.069 45.335 ( 0.565 -0.000 1.244) 1.366 45.424 ( -2.123 0.000 -2.717) 3.448 45.903 ( 2.698 -0.000 4.305) 5.081 46.093 ( -1.674 0.000 -4.045) 4.378 98.907 ( 0.315 -0.000 1.426) 1.460 98.953 ( -1.810 0.000 -0.381) 1.850 99.401 ( 0.724 -0.000 1.262) 1.455 99.490 ( -0.975 0.000 -2.132) 2.344 99.674 ( 0.638 -0.000 -0.102) 0.647 99.730 ( 0.274 -0.000 -2.831) 2.844 100.293 ( -1.383 0.000 7.148) 7.280 100.698 ( 4.719 -0.000 -10.029) 11.084======================= Grid point 168 (85/114) =======================q-point: (-0.38 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( -13.351 0.149 1.635) 13.452 1.281 ( -7.931 -1.296 9.385) 12.356 1.469 ( -3.019 0.665 3.144) 4.409 1.524 ( 0.984 2.742 3.672) 4.687 1.549 ( 0.262 1.140 1.751) 2.105 1.665 ( 3.182 -0.182 -3.041) 4.405 1.728 ( 0.573 2.872 3.293) 4.406 1.799 ( -0.370 -0.154 0.677) 0.787 1.904 ( -0.071 -1.663 -4.447) 4.748 1.959 ( 2.883 -1.407 -2.490) 4.061 2.030 ( -4.908 0.220 2.237) 5.398 2.086 ( -4.724 0.100 0.160) 4.728 2.157 ( 1.014 4.246 0.413) 4.385 2.254 ( -0.862 -0.218 -5.552) 5.623 2.320 ( 0.047 0.651 3.400) 3.462 2.412 ( -0.045 0.022 6.154) 6.155 2.564 ( 3.479 0.829 -7.194) 8.034 2.657 ( 0.356 -0.320 -4.393) 4.419 4.830 ( -0.694 -0.195 -1.301) 1.487 4.850 ( 1.627 -0.128 0.139) 1.637 5.278 ( -3.314 0.123 2.180) 3.968 5.426 ( -2.996 0.762 0.901) 3.220 5.465 ( 2.493 0.299 -0.588) 2.579 5.536 ( -1.577 -1.434 4.819) 5.269 5.562 ( 2.636 -0.483 -0.296) 2.696 5.827 ( 3.283 -0.307 -5.986) 6.834 7.054 ( -1.865 0.525 1.952) 2.751 7.144 ( 1.374 -0.043 -1.192) 1.819 7.693 ( -0.210 -0.741 1.340) 1.545 7.773 ( 1.179 -0.061 -1.314) 1.766 12.783 ( -1.933 0.763 3.480) 4.054 12.890 ( -2.838 -5.891 -0.238) 6.543 13.216 ( 3.489 4.665 0.530) 5.849 13.430 ( 13.957 -8.377 -1.359) 16.335 17.384 ( -0.387 0.362 3.773) 3.810 17.458 ( -2.246 -1.110 -2.250) 3.367 18.529 ( -1.046 -0.767 11.465) 11.538 18.858 ( 2.283 -1.397 -5.190) 5.840 19.038 ( 2.482 1.812 4.988) 5.858 19.138 ( 0.591 1.261 -1.149) 1.805 20.936 ( -1.395 -0.005 -2.395) 2.772 21.049 ( 1.041 0.299 -6.074) 6.170 45.343 ( -0.867 0.396 1.402) 1.695 45.389 ( -1.379 -0.235 -1.767) 2.254 45.932 ( 0.538 0.829 4.151) 4.267 46.022 ( -4.821 1.375 -4.589) 6.796 98.919 ( 0.029 0.156 1.668) 1.676 98.933 ( -0.899 -0.056 -0.036) 0.902 99.410 ( 0.249 0.557 1.973) 2.065 99.475 ( -0.877 -0.842 -2.102) 2.428 99.669 ( 0.163 0.611 0.609) 0.879 99.729 ( -0.768 -1.332 -3.719) 4.024 100.303 ( -2.164 0.384 6.566) 6.923 100.680 ( 4.723 2.512 -10.371) 11.669======================= Grid point 169 (86/114) =======================q-point: (-0.25 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -14.334 0.475 0.765) 14.362 1.259 ( -8.035 -1.674 9.100) 12.255 1.419 ( -3.273 2.414 2.515) 4.782 1.485 ( 0.465 4.150 3.859) 5.686 1.521 ( -2.987 1.468 2.823) 4.364 1.671 ( 2.159 2.217 -1.644) 3.504 1.683 ( 0.475 1.956 -1.805) 2.703 1.844 ( -1.298 -3.071 1.525) 3.666 1.864 ( -1.293 2.176 -4.057) 4.782 1.944 ( -3.921 0.900 -2.837) 4.922 2.002 ( -5.583 -0.671 4.736) 7.352 2.032 ( -0.955 0.480 0.049) 1.070 2.137 ( 2.179 0.267 2.618) 3.417 2.247 ( 0.308 -0.711 -1.731) 1.896 2.310 ( 0.117 0.889 0.495) 1.024 2.418 ( -1.928 0.642 3.878) 4.378 2.526 ( -1.484 0.763 -6.301) 6.519 2.699 ( 7.340 -0.381 -2.975) 7.929 4.827 ( -0.290 -0.679 -0.821) 1.104 4.869 ( 1.287 0.097 0.446) 1.365 5.246 ( -3.021 0.285 1.104) 3.229 5.385 ( -3.542 -0.044 2.206) 4.173 5.491 ( 1.794 -0.454 -0.341) 1.881 5.570 ( -0.115 -0.708 2.324) 2.432 5.606 ( 3.245 -0.769 1.297) 3.578 5.836 ( 3.188 0.261 -6.128) 6.913 7.035 ( -1.586 0.276 1.960) 2.536 7.159 ( 1.446 -0.273 -0.747) 1.650 7.709 ( -0.326 -0.784 0.538) 1.005 7.777 ( 1.018 0.360 -1.123) 1.558 12.737 ( -2.420 3.180 1.878) 4.416 13.006 ( -5.185 -8.866 2.687) 10.617 13.165 ( 7.685 5.458 -2.674) 9.798 13.787 ( 17.867 -11.821 -1.096) 21.451 17.383 ( -1.598 0.427 4.226) 4.538 17.466 ( -0.549 -2.158 -0.466) 2.275 18.586 ( -1.231 -0.427 12.177) 12.246 18.892 ( 2.201 -1.954 -4.215) 5.141 19.026 ( 0.805 3.658 1.800) 4.156 19.109 ( 1.231 2.271 -2.494) 3.590 20.925 ( 0.220 -0.546 -1.260) 1.390 21.033 ( 1.191 0.007 -4.703) 4.852 45.311 ( -2.733 0.455 0.231) 2.780 45.387 ( -0.107 0.057 0.248) 0.276 45.897 ( -5.464 2.380 -3.626) 6.976 45.950 ( 0.098 0.169 2.533) 2.541 98.907 ( -1.129 0.150 0.277) 1.172 98.941 ( 0.552 0.425 1.710) 1.847 99.412 ( -0.756 0.014 2.575) 2.684 99.481 ( 0.175 -1.274 -1.130) 1.712 99.670 ( -0.245 0.021 0.990) 1.020 99.716 ( -0.839 -0.813 -4.051) 4.216 100.289 ( -2.610 1.179 4.843) 5.627 100.632 ( 3.706 3.006 -9.727) 10.835======================= Grid point 170 (87/114) =======================q-point: (-0.12 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( -8.520 -2.888 2.443) 9.322 1.244 ( -4.945 -0.955 6.633) 8.328 1.360 ( -2.140 1.882 2.702) 3.928 1.425 ( -2.123 4.643 5.281) 7.346 1.483 ( -1.511 0.794 3.189) 3.617 1.613 ( -0.258 4.779 -0.645) 4.829 1.674 ( 1.207 -0.347 -3.491) 3.710 1.750 ( -3.033 3.083 -0.410) 4.345 1.844 ( -2.393 2.484 -0.646) 3.509 1.951 ( 1.120 -4.289 0.116) 4.435 1.976 ( -3.683 -1.218 0.581) 3.923 2.032 ( -2.707 -1.369 3.798) 4.861 2.178 ( 0.469 -0.733 1.214) 1.494 2.242 ( -0.009 1.514 1.054) 1.845 2.326 ( 2.451 -2.202 -4.675) 5.719 2.393 ( -3.488 0.218 3.524) 4.963 2.462 ( -2.831 0.639 -4.085) 5.011 2.770 ( 7.567 0.989 -2.142) 7.927 4.834 ( -0.061 -0.569 -0.367) 0.680 4.880 ( 0.601 0.127 0.359) 0.712 5.219 ( -1.813 -0.111 0.485) 1.880 5.369 ( -2.293 -0.612 2.311) 3.313 5.513 ( 1.449 0.120 -0.641) 1.589 5.568 ( -0.974 1.326 2.032) 2.614 5.662 ( 1.488 -1.512 1.369) 2.525 5.841 ( 3.484 -0.010 -5.776) 6.746 7.032 ( -1.059 -0.715 1.780) 2.191 7.173 ( 0.931 0.162 -0.203) 0.967 7.718 ( -0.278 -0.776 -0.229) 0.855 7.771 ( 0.700 1.089 -0.675) 1.460 12.660 ( -1.688 2.974 -0.071) 3.420 12.970 ( -5.092 2.699 -0.243) 5.768 13.278 ( 6.493 -5.314 -0.407) 8.400 14.152 ( 12.921 -8.733 0.515) 15.604 17.379 ( -1.910 0.321 5.067) 5.425 17.505 ( 0.047 -2.703 0.425) 2.736 18.611 ( -4.269 0.923 11.931) 12.706 18.915 ( 1.024 0.038 -3.281) 3.438 18.982 ( 0.683 1.597 -0.129) 1.742 19.065 ( 1.268 2.954 -3.345) 4.639 20.946 ( 1.702 -1.156 -1.033) 2.302 21.034 ( 1.374 -0.752 -3.700) 4.018 45.288 ( -1.622 -0.876 0.204) 1.855 45.368 ( -1.202 1.431 0.158) 1.876 45.783 ( -4.138 1.929 -3.731) 5.896 45.979 ( 2.148 -0.245 2.473) 3.285 98.901 ( -0.694 -0.577 0.409) 0.991 98.936 ( -0.165 1.245 1.367) 1.856 99.408 ( -1.518 0.474 1.737) 2.355 99.511 ( 1.104 -1.259 0.621) 1.785 99.647 ( -1.391 0.977 -1.858) 2.519 99.739 ( 2.289 -2.238 0.134) 3.204 100.258 ( -2.172 1.151 2.651) 3.615 100.577 ( 1.443 1.746 -8.374) 8.675======================= Grid point 176 (88/114) =======================q-point: (-0.38 -0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( -15.443 0.000 2.478) 15.640 1.207 ( -10.820 0.000 11.094) 15.497 1.451 ( -4.532 0.000 3.242) 5.572 1.542 ( -5.010 0.000 0.200) 5.014 1.574 ( -1.538 0.000 4.534) 4.788 1.686 ( 2.868 -0.000 -2.854) 4.046 1.766 ( 2.156 -0.000 0.226) 2.167 1.797 ( -3.371 0.000 -3.009) 4.519 1.832 ( -0.503 0.000 -3.467) 3.503 1.946 ( -7.713 0.000 4.701) 9.033 1.979 ( 2.931 -0.000 -1.781) 3.429 2.081 ( -1.706 0.000 2.362) 2.914 2.195 ( -1.316 0.000 -7.693) 7.804 2.221 ( 1.452 -0.000 1.843) 2.347 2.357 ( 0.881 -0.000 3.382) 3.495 2.420 ( -3.554 0.000 5.799) 6.801 2.597 ( 5.872 -0.000 -6.689) 8.900 2.620 ( -0.552 0.000 -4.415) 4.450 4.814 ( -0.397 0.000 -1.541) 1.591 4.876 ( 2.399 -0.000 0.504) 2.452 5.258 ( -2.230 0.000 1.601) 2.745 5.399 ( -3.490 0.000 1.164) 3.679 5.503 ( -2.995 0.000 6.073) 6.771 5.510 ( 4.193 -0.000 -2.441) 4.851 5.600 ( 3.019 -0.000 0.747) 3.110 5.838 ( 3.594 -0.000 -5.559) 6.620 7.051 ( -1.381 0.000 1.877) 2.331 7.152 ( 1.075 -0.000 -0.927) 1.419 7.690 ( -0.149 0.000 1.097) 1.108 7.777 ( 0.996 -0.000 -1.699) 1.969 12.825 ( 1.894 -0.000 2.520) 3.153 12.826 ( 1.157 -0.000 5.879) 5.992 13.377 ( 7.486 -0.000 -4.283) 8.624 13.448 ( 14.684 -0.000 -2.660) 14.923 17.408 ( -0.149 0.000 4.830) 4.832 17.410 ( -2.008 0.000 -1.948) 2.798 18.586 ( 2.266 -0.000 11.826) 12.041 18.850 ( 2.736 -0.000 -5.435) 6.085 19.114 ( 3.116 -0.000 4.935) 5.836 19.140 ( -0.038 0.000 -3.172) 3.173 20.918 ( -0.164 0.000 -0.826) 0.842 21.036 ( 0.822 -0.000 -4.615) 4.688 45.350 ( -2.197 0.000 -1.716) 2.788 45.358 ( -0.071 0.000 2.857) 2.857 45.940 ( -3.037 0.000 3.718) 4.801 45.941 ( -7.415 0.000 -4.681) 8.769 98.916 ( -0.994 0.000 -0.223) 1.019 98.942 ( 1.123 -0.000 2.925) 3.133 99.430 ( 0.204 -0.000 1.614) 1.626 99.440 ( -1.352 0.000 -2.231) 2.609 99.673 ( -0.665 0.000 0.098) 0.672 99.694 ( -0.991 0.000 -2.443) 2.636 100.315 ( -2.268 0.000 6.878) 7.242 100.692 ( 3.411 -0.000 -13.213) 13.646======================= Grid point 177 (89/114) =======================q-point: (-0.25 -0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -15.736 0.158 3.838) 16.198 1.146 ( -12.089 -2.601 8.573) 15.047 1.397 ( -6.681 -0.908 0.931) 6.806 1.470 ( -7.807 -1.328 3.258) 8.563 1.542 ( -4.564 1.762 4.400) 6.580 1.683 ( 0.674 1.250 -4.222) 4.455 1.734 ( -0.266 1.874 -1.688) 2.537 1.787 ( -3.402 0.953 -0.312) 3.547 1.830 ( 1.099 -1.958 -3.205) 3.913 1.902 ( -2.358 0.035 3.899) 4.556 1.982 ( -0.904 1.589 0.474) 1.889 2.075 ( 2.006 1.002 0.763) 2.369 2.160 ( -1.994 -0.859 -2.272) 3.143 2.232 ( 2.184 0.884 0.171) 2.362 2.348 ( -1.302 2.346 4.434) 5.182 2.395 ( -4.284 -0.467 0.378) 4.326 2.515 ( -1.214 4.040 -4.389) 6.087 2.730 ( 6.589 -4.990 -2.783) 8.721 4.810 ( 0.199 -0.536 -1.167) 1.299 4.901 ( 2.483 0.814 0.617) 2.685 5.239 ( -1.073 0.760 0.989) 1.645 5.368 ( -1.968 0.531 1.901) 2.788 5.497 ( -0.753 0.151 3.152) 3.244 5.557 ( 1.283 -1.419 -0.633) 2.015 5.641 ( 2.617 -0.553 1.540) 3.087 5.851 ( 3.540 0.151 -5.516) 6.556 7.039 ( -1.048 0.702 1.857) 2.245 7.164 ( 0.955 -0.483 -0.574) 1.215 7.696 ( -0.272 -0.400 0.433) 0.649 7.780 ( 0.644 -0.249 -1.658) 1.796 12.822 ( 1.095 4.739 3.955) 6.269 12.928 ( 5.501 -2.951 5.220) 8.137 13.338 ( 7.624 6.851 -5.861) 11.807 13.754 ( 15.507 -12.370 -3.140) 20.083 17.386 ( -1.127 0.000 0.771) 1.365 17.438 ( -0.499 -1.010 4.142) 4.292 18.666 ( 3.541 1.930 11.192) 11.896 18.868 ( 2.394 -1.678 -5.047) 5.832 19.097 ( 0.404 2.901 -2.134) 3.624 19.152 ( 1.979 2.001 1.488) 3.183 20.927 ( 1.694 -0.164 0.241) 1.719 21.028 ( 1.032 0.142 -2.667) 2.864 45.302 ( -1.932 1.548 0.074) 2.477 45.386 ( 0.121 -0.718 2.047) 2.172 45.823 ( -8.047 0.534 -4.255) 9.119 45.924 ( -4.236 -1.993 2.824) 5.467 98.903 ( -0.497 0.439 0.212) 0.696 98.971 ( 1.414 0.520 3.134) 3.478 99.411 ( -1.012 0.190 0.302) 1.073 99.454 ( -0.096 -1.733 0.083) 1.737 99.665 ( -0.871 0.059 -0.282) 0.918 99.678 ( -0.818 -0.951 -1.905) 2.281 100.308 ( -2.436 1.355 5.976) 6.594 100.638 ( 0.614 1.206 -14.215) 14.279======================= Grid point 178 (90/114) =======================q-point: (-0.12 -0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.791 ( -10.476 -3.984 5.007) 12.276 1.111 ( -12.005 -6.069 4.749) 14.265 1.359 ( -4.274 -0.333 4.235) 6.026 1.466 ( -2.963 -0.484 1.746) 3.473 1.476 ( -5.488 -1.293 6.802) 8.835 1.641 ( -0.609 1.009 -4.572) 4.722 1.675 ( -4.774 2.729 -1.977) 5.843 1.693 ( -3.211 0.237 -1.406) 3.513 1.865 ( -0.564 -1.601 0.202) 1.709 1.913 ( 1.504 3.760 -0.977) 4.166 1.943 ( 2.098 -0.810 -0.822) 2.395 2.060 ( -3.006 3.007 9.527) 10.433 2.161 ( -1.089 -1.735 -0.804) 2.200 2.268 ( 4.051 -1.704 -3.594) 5.677 2.310 ( -2.064 1.704 2.869) 3.924 2.348 ( -4.211 -0.077 -0.024) 4.212 2.427 ( -3.195 1.455 -2.399) 4.252 2.857 ( 7.603 -1.347 -2.868) 8.237 4.823 ( 0.527 -0.748 -0.629) 1.111 4.906 ( 1.511 1.555 0.509) 2.227 5.223 ( 0.599 0.916 0.736) 1.319 5.357 ( -0.618 0.134 1.878) 1.981 5.510 ( -0.244 -0.925 1.969) 2.190 5.573 ( -0.553 -0.196 -0.293) 0.656 5.676 ( 0.972 0.167 1.617) 1.894 5.861 ( 3.840 0.474 -5.510) 6.733 7.028 ( -0.615 0.292 1.832) 1.955 7.180 ( 0.688 -0.387 -0.170) 0.808 7.699 ( -0.390 -0.582 -0.434) 0.824 7.782 ( 0.229 0.057 -1.102) 1.127 12.750 ( 2.009 6.297 0.905) 6.671 13.012 ( 4.144 3.264 2.194) 5.713 13.330 ( 7.693 1.277 -2.217) 8.107 14.106 ( 9.844 -11.320 -1.033) 15.037 17.388 ( -0.906 -0.057 3.625) 3.737 17.471 ( -0.459 -1.684 2.987) 3.460 18.679 ( -0.149 4.377 8.835) 9.860 18.903 ( 2.011 -1.174 -3.552) 4.247 19.041 ( 1.110 3.769 0.306) 3.941 19.109 ( -0.173 3.448 -2.005) 3.993 20.960 ( 3.103 -0.207 0.010) 3.110 21.028 ( 1.173 0.142 -1.650) 2.030 45.270 ( -0.847 0.240 0.735) 1.147 45.385 ( -0.487 1.455 0.894) 1.776 45.719 ( -6.277 -0.303 -3.125) 7.018 45.953 ( -1.891 -4.098 1.154) 4.659 98.894 ( -0.195 0.256 0.542) 0.630 98.971 ( 0.196 1.999 2.275) 3.035 99.403 ( -1.000 0.060 0.394) 1.076 99.501 ( 1.442 -2.202 1.118) 2.860 99.640 ( -0.771 0.698 -2.023) 2.275 99.715 ( 1.763 -3.496 0.461) 3.943 100.273 ( -2.384 1.981 3.542) 4.707 100.544 ( -3.186 0.563 -11.262) 11.717======================= Grid point 185 (91/114) =======================q-point: (-0.25 -0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( -15.044 0.000 8.016) 17.047 0.981 ( -17.315 0.000 1.755) 17.403 1.268 ( -11.036 0.000 7.423) 13.301 1.392 ( -7.819 0.000 5.223) 9.403 1.507 ( -6.406 0.000 2.277) 6.799 1.695 ( -3.867 0.000 -2.333) 4.516 1.697 ( 0.587 -0.000 -4.152) 4.194 1.775 ( -1.397 0.000 -3.882) 4.126 1.820 ( -1.543 0.000 3.087) 3.451 1.928 ( 3.576 -0.000 3.460) 4.975 2.001 ( -0.027 0.000 0.683) 0.683 2.095 ( 0.110 -0.000 -6.290) 6.291 2.123 ( 2.824 -0.000 -0.231) 2.834 2.269 ( 0.180 -0.000 2.233) 2.240 2.315 ( -5.947 0.000 -2.546) 6.469 2.371 ( -2.727 0.000 2.692) 3.832 2.596 ( 2.721 -0.000 -4.359) 5.138 2.672 ( 1.261 -0.000 2.575) 2.867 4.806 ( 0.834 -0.000 -1.118) 1.395 4.950 ( 3.876 -0.000 -0.021) 3.876 5.247 ( 0.401 -0.000 0.585) 0.709 5.370 ( -0.287 0.000 1.817) 1.840 5.514 ( -1.465 0.000 6.959) 7.112 5.557 ( 2.227 -0.000 -2.814) 3.588 5.660 ( 1.369 -0.000 1.023) 1.709 5.864 ( 3.113 -0.000 -5.210) 6.069 7.045 ( -0.671 0.000 1.914) 2.029 7.162 ( 0.364 -0.000 -0.550) 0.660 7.694 ( -0.169 0.000 0.444) 0.475 7.772 ( 0.205 -0.000 -2.189) 2.198 12.901 ( 0.836 -0.000 3.694) 3.787 13.045 ( 11.271 -0.000 7.893) 13.760 13.459 ( 5.362 -0.000 -8.155) 9.760 13.783 ( 16.189 -0.000 -3.774) 16.623 17.378 ( 0.230 -0.000 -0.298) 0.376 17.449 ( -1.319 0.000 6.960) 7.084 18.813 ( 8.042 -0.000 8.165) 11.461 18.835 ( 0.632 -0.000 -7.142) 7.170 19.107 ( 0.477 -0.000 -2.899) 2.938 19.235 ( 5.032 -0.000 3.481) 6.119 20.958 ( 3.391 -0.000 1.053) 3.551 21.039 ( 1.658 -0.000 0.401) 1.706 45.307 ( -0.341 0.000 -0.664) 0.746 45.396 ( 0.721 -0.000 3.964) 4.029 45.710 ( -8.493 0.000 -3.612) 9.229 45.838 ( -8.046 0.000 2.174) 8.335 98.910 ( 0.346 -0.000 0.486) 0.596 99.021 ( 3.197 -0.000 3.808) 4.973 99.401 ( -0.543 0.000 -0.521) 0.753 99.426 ( -1.762 0.000 0.960) 2.007 99.652 ( -0.700 0.000 -2.029) 2.147 99.652 ( -1.086 0.000 0.178) 1.101 100.326 ( -2.458 0.000 6.651) 7.091 100.551 ( -4.039 0.000 -17.628) 18.085======================= Grid point 186 (92/114) =======================q-point: (-0.12 -0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( -10.695 -1.606 9.553) 14.430 0.839 ( -17.239 -7.217 2.013) 18.797 1.271 ( -6.920 -5.813 12.465) 15.397 1.346 ( -7.227 -2.402 5.173) 9.206 1.438 ( -6.606 0.046 1.406) 6.754 1.611 ( -3.055 1.948 -4.410) 5.708 1.678 ( -1.702 0.435 -2.585) 3.125 1.709 ( -1.041 3.875 -1.763) 4.383 1.817 ( -1.066 -1.277 -0.640) 1.783 1.983 ( 2.477 1.908 1.123) 3.322 1.999 ( 2.526 0.775 0.603) 2.710 2.067 ( -2.704 -1.667 -3.200) 4.509 2.144 ( 1.334 2.688 1.416) 3.318 2.227 ( -3.759 -1.132 -4.335) 5.848 2.300 ( 0.760 -1.455 0.085) 1.644 2.338 ( -3.672 0.769 2.863) 4.719 2.477 ( -0.620 7.899 3.146) 8.525 2.833 ( 3.856 -8.248 -1.915) 9.304 4.818 ( 1.196 -0.474 -0.709) 1.469 4.970 ( 3.354 2.490 -0.860) 4.265 5.254 ( 1.558 0.582 0.365) 1.702 5.376 ( 0.783 0.566 1.641) 1.904 5.522 ( 0.035 0.981 4.696) 4.797 5.562 ( -0.283 0.132 -0.266) 0.411 5.684 ( 0.048 -0.663 0.593) 0.891 5.879 ( 3.303 -0.416 -5.413) 6.355 7.041 ( -0.318 0.673 1.954) 2.091 7.172 ( 0.093 -0.927 -0.401) 1.014 7.690 ( -0.224 0.131 -0.199) 0.328 7.770 ( -0.115 -0.640 -1.813) 1.926 12.879 ( 1.454 4.551 1.342) 4.962 13.167 ( 7.092 3.911 3.046) 8.653 13.455 ( 9.202 3.237 -2.126) 9.983 14.025 ( 9.824 -8.755 -1.588) 13.255 17.393 ( 1.026 -0.452 1.542) 1.906 17.466 ( -1.880 -0.373 6.613) 6.885 18.781 ( 0.864 2.639 -4.517) 5.303 18.918 ( 4.763 0.390 0.206) 4.784 19.098 ( 1.170 0.895 -1.053) 1.811 19.226 ( 3.432 9.846 2.882) 10.818 21.005 ( 4.175 0.425 0.544) 4.232 21.058 ( 1.947 1.283 1.976) 3.056 45.288 ( 0.528 1.662 0.801) 1.919 45.414 ( 0.460 1.265 1.671) 2.146 45.616 ( -6.776 -1.042 -2.337) 7.244 45.816 ( -5.910 -6.687 0.078) 8.925 98.912 ( 0.725 0.858 0.864) 1.417 99.036 ( 1.363 3.734 2.439) 4.664 99.394 ( -0.598 0.029 -0.623) 0.864 99.471 ( 1.690 -4.615 1.456) 5.126 99.633 ( -0.234 0.350 -2.028) 2.071 99.669 ( 0.556 -3.401 0.418) 3.471 100.297 ( -3.431 2.558 2.610) 5.013 100.414 ( -7.826 -1.692 -11.072) 13.663======================= Grid point 194 (93/114) =======================q-point: (-0.12 -0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( -15.110 0.000 6.102) 16.296 0.610 ( -6.834 0.000 15.025) 16.506 1.207 ( -8.967 0.000 21.218) 23.035 1.281 ( -2.471 0.000 0.216) 2.480 1.355 ( -7.720 0.000 -0.789) 7.760 1.581 ( -4.128 0.000 -2.174) 4.666 1.635 ( -1.314 0.000 -3.134) 3.398 1.731 ( 0.753 -0.000 -4.314) 4.380 1.803 ( -1.321 0.000 1.563) 2.046 1.960 ( -1.240 0.000 -6.130) 6.254 2.022 ( -1.715 0.000 -1.674) 2.397 2.044 ( -0.648 0.000 -1.943) 2.049 2.161 ( 1.291 -0.000 -1.832) 2.241 2.224 ( 4.693 -0.000 -0.700) 4.745 2.288 ( -0.893 0.000 1.195) 1.491 2.315 ( -3.116 0.000 2.361) 3.909 2.660 ( 5.203 -0.000 -2.205) 5.651 2.674 ( -5.919 0.000 8.715) 10.535 4.829 ( 1.689 -0.000 -0.389) 1.733 5.029 ( 3.693 -0.000 -3.978) 5.428 5.279 ( 1.894 -0.000 -0.012) 1.894 5.394 ( 0.283 -0.000 0.836) 0.882 5.564 ( -0.278 0.000 6.827) 6.833 5.574 ( 1.771 -0.000 -1.504) 2.324 5.672 ( -1.228 0.000 0.875) 1.508 5.876 ( 2.284 -0.000 -5.215) 5.693 7.055 ( -0.184 0.000 2.058) 2.066 7.158 ( -0.238 0.000 -0.555) 0.604 7.690 ( -0.295 0.000 -0.002) 0.295 7.751 ( -0.114 0.000 -2.224) 2.227 12.927 ( -0.027 0.000 0.882) 0.882 13.247 ( -0.575 0.000 -2.745) 2.805 13.622 ( 13.803 -0.000 4.325) 14.464 14.064 ( 9.670 -0.000 0.385) 9.678 17.418 ( 2.752 -0.000 1.650) 3.209 17.468 ( -3.358 0.000 7.714) 8.413 18.765 ( 0.571 -0.000 -7.744) 7.765 18.960 ( 2.094 -0.000 -5.142) 5.552 19.113 ( 0.356 -0.000 1.075) 1.133 19.431 ( 8.804 -0.000 -5.207) 10.229 21.067 ( 4.793 -0.000 0.693) 4.843 21.117 ( 2.115 -0.000 3.564) 4.144 45.330 ( 2.780 -0.000 -0.296) 2.796 45.445 ( 0.772 -0.000 0.474) 0.906 45.532 ( -4.849 0.000 -1.273) 5.013 45.646 ( -9.367 0.000 0.831) 9.404 98.936 ( 1.074 -0.000 1.259) 1.655 99.127 ( 3.352 -0.000 -2.254) 4.039 99.380 ( -2.101 0.000 -0.038) 2.102 99.419 ( 0.185 -0.000 0.929) 0.947 99.633 ( 0.956 -0.000 -0.918) 1.326 99.634 ( -0.757 0.000 0.325) 0.824 100.233 ( -6.881 0.000 -7.060) 9.859 100.318 ( -3.695 0.000 5.707) 6.798======================= Grid point 195 (94/114) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( -9.832 0.000 -5.711) 11.370 0.927 ( 9.832 -0.000 5.711) 11.370 1.065 ( -1.255 0.000 -7.650) 7.752 1.065 ( 1.255 -0.000 7.650) 7.752 1.560 ( 2.767 -0.000 -6.469) 7.036 1.560 ( -2.767 0.000 6.469) 7.036 1.578 ( 5.176 -0.000 -8.606) 10.043 1.578 ( -5.176 0.000 8.606) 10.043 1.795 ( -2.729 0.000 -2.299) 3.568 1.795 ( 2.729 -0.000 2.299) 3.568 1.922 ( 2.781 -0.000 -2.365) 3.651 1.922 ( -2.781 0.000 2.365) 3.651 2.273 ( -0.025 0.000 -0.543) 0.543 2.273 ( 0.025 -0.000 0.543) 0.543 2.306 ( -3.014 0.000 0.336) 3.033 2.306 ( 3.014 -0.000 -0.336) 3.033 2.729 ( 8.700 -0.000 -4.819) 9.946 2.729 ( -8.700 0.000 4.819) 9.946 4.906 ( -1.088 0.000 -3.354) 3.526 4.906 ( 1.088 -0.000 3.354) 3.526 5.345 ( -2.431 0.000 -1.060) 2.652 5.345 ( 2.431 -0.000 1.060) 2.652 5.628 ( -2.720 0.000 -0.043) 2.720 5.628 ( 2.720 -0.000 0.043) 2.720 5.745 ( 2.264 -0.000 -6.419) 6.807 5.745 ( -2.264 0.000 6.419) 6.807 7.118 ( -0.182 0.000 -1.756) 1.766 7.118 ( 0.182 -0.000 1.756) 1.766 7.696 ( 0.392 -0.000 -1.215) 1.277 7.696 ( -0.392 0.000 1.215) 1.277 13.015 ( -3.375 0.000 -3.692) 5.002 13.015 ( 3.375 -0.000 3.692) 5.002 14.096 ( -4.714 0.000 -5.427) 7.188 14.096 ( 4.714 -0.000 5.427) 7.188 17.541 ( 5.245 -0.000 -2.074) 5.640 17.541 ( -5.245 0.000 2.074) 5.640 18.710 ( -4.754 0.000 -2.263) 5.265 18.710 ( 4.754 -0.000 2.263) 5.265 19.229 ( -1.345 0.000 -5.368) 5.534 19.229 ( 1.345 -0.000 5.368) 5.534 21.158 ( -3.033 0.000 0.862) 3.153 21.158 ( 3.033 -0.000 -0.862) 3.153 45.409 ( -5.162 0.000 0.584) 5.195 45.409 ( 5.162 -0.000 -0.584) 5.195 45.482 ( -5.512 0.000 0.604) 5.545 45.482 ( 5.512 -0.000 -0.604) 5.545 99.019 ( -1.546 0.000 -2.355) 2.817 99.019 ( 1.546 -0.000 2.355) 2.817 99.356 ( -0.940 0.000 -0.086) 0.944 99.356 ( 0.940 -0.000 0.086) 0.944 99.634 ( 0.591 -0.000 -0.691) 0.909 99.634 ( -0.591 0.000 0.691) 0.909 100.325 ( 10.033 -0.000 -3.461) 10.613 100.325 ( -10.033 0.000 3.461) 10.613======================= Grid point 197 (95/114) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -3.492 -3.551 -9.349) 10.593 0.986 ( 1.767 -2.107 -11.634) 11.955 1.113 ( 6.356 -0.236 7.104) 9.535 1.179 ( 5.396 -3.850 8.254) 10.586 1.517 ( -1.240 2.002 -0.080) 2.357 1.558 ( -0.514 0.111 4.389) 4.420 1.621 ( 3.719 -3.528 -7.987) 9.490 1.639 ( 1.508 -2.715 1.260) 3.352 1.743 ( -2.584 1.714 -0.710) 3.181 1.865 ( 3.925 -1.527 5.212) 6.701 1.946 ( 0.628 -2.247 0.510) 2.388 1.954 ( 2.516 -2.147 0.185) 3.312 2.217 ( -4.949 1.826 0.071) 5.275 2.241 ( -1.302 1.851 -1.040) 2.491 2.284 ( 0.913 1.596 -0.380) 1.878 2.335 ( 4.057 0.873 -1.547) 4.429 2.661 ( -7.645 -0.579 1.184) 7.758 2.809 ( 5.970 -0.854 -2.046) 6.369 4.870 ( -1.521 0.494 -2.186) 2.708 4.918 ( 0.154 1.179 3.125) 3.343 5.311 ( -2.780 0.063 -0.624) 2.850 5.376 ( 1.772 -0.088 1.103) 2.089 5.581 ( -3.114 1.277 -0.767) 3.452 5.642 ( 1.230 1.195 1.433) 2.235 5.724 ( 0.081 0.914 -4.434) 4.528 5.766 ( 0.200 -0.879 3.302) 3.423 7.106 ( -0.299 0.171 -2.026) 2.055 7.134 ( 0.495 -0.596 1.760) 1.923 7.690 ( -0.642 0.106 -0.124) 0.662 7.713 ( 0.949 -0.919 0.593) 1.448 12.945 ( -3.638 2.416 -1.502) 4.618 13.053 ( 2.604 2.317 4.776) 5.913 13.940 ( -11.524 3.917 -7.226) 14.155 14.128 ( 0.414 0.285 2.778) 2.823 17.489 ( -4.772 0.020 1.147) 4.908 17.580 ( 4.438 0.573 -3.253) 5.533 18.670 ( -4.435 -1.839 0.925) 4.889 18.789 ( 4.005 -1.427 3.837) 5.727 19.150 ( -2.687 3.767 -2.055) 5.063 19.212 ( -0.868 5.332 5.243) 7.528 21.103 ( -2.803 2.317 0.129) 3.639 21.150 ( 1.414 3.298 -1.428) 3.862 45.357 ( -3.724 0.067 0.121) 3.727 45.430 ( -0.057 1.302 0.241) 1.325 45.485 ( 1.634 -2.817 -0.670) 3.325 45.608 ( 8.122 -5.014 1.353) 9.640 98.972 ( -2.277 1.587 -0.563) 2.832 99.024 ( 1.074 1.976 1.587) 2.753 99.361 ( -1.279 -1.344 0.787) 2.015 99.428 ( 3.947 -3.744 0.631) 5.477 99.623 ( -1.022 0.345 -0.242) 1.105 99.656 ( 1.577 -1.614 0.462) 2.303 100.237 ( -7.389 -0.943 0.627) 7.475 100.406 ( 8.429 0.646 -5.984) 10.358======================= Grid point 198 (96/114) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 1.532 -7.122 -4.682) 8.660 1.021 ( 4.106 -5.360 -10.136) 12.179 1.233 ( 6.852 -1.200 6.215) 9.328 1.344 ( 5.522 -3.662 5.715) 8.750 1.477 ( -1.355 0.737 0.750) 1.715 1.566 ( -1.407 0.930 4.553) 4.855 1.643 ( -2.203 1.512 -0.130) 2.675 1.696 ( 4.314 -4.230 -7.582) 9.694 1.742 ( 0.920 -2.276 0.785) 2.577 1.903 ( 0.376 1.879 0.975) 2.150 2.024 ( 3.035 -1.170 0.649) 3.317 2.054 ( 3.096 -4.746 0.659) 5.705 2.153 ( -3.640 -0.887 4.248) 5.664 2.204 ( 0.347 -0.595 -4.409) 4.463 2.266 ( 0.576 1.410 1.672) 2.262 2.354 ( 4.748 1.544 -2.724) 5.687 2.568 ( -6.058 1.813 -3.681) 7.316 2.848 ( 1.198 1.401 1.778) 2.561 4.844 ( -1.177 -0.092 -0.835) 1.446 4.905 ( -0.279 1.415 1.613) 2.164 5.276 ( -2.736 0.173 -0.113) 2.744 5.396 ( 0.763 -0.241 0.301) 0.855 5.514 ( -3.549 1.622 0.133) 3.904 5.639 ( -0.002 1.121 3.065) 3.264 5.690 ( 1.011 0.683 -5.149) 5.292 5.792 ( 0.720 0.052 1.619) 1.773 7.086 ( -0.413 0.442 -2.094) 2.180 7.160 ( 0.408 -0.620 1.732) 1.884 7.685 ( -0.573 -0.577 0.080) 0.817 7.742 ( 1.135 -0.553 0.624) 1.409 12.826 ( -5.500 5.198 0.448) 7.581 13.029 ( -0.696 4.123 3.654) 5.553 13.672 ( -12.681 6.038 -6.669) 15.548 14.173 ( 2.127 -3.275 1.529) 4.194 17.452 ( -3.325 -0.543 1.143) 3.557 17.588 ( 2.793 1.359 -3.927) 5.007 18.674 ( -3.699 -2.692 2.882) 5.407 18.871 ( 2.246 -1.876 2.772) 4.031 19.044 ( -2.040 4.497 0.030) 4.938 19.103 ( -1.520 6.835 1.785) 7.226 21.033 ( -1.616 2.581 -0.792) 3.146 21.086 ( 0.144 3.603 -1.886) 4.069 45.323 ( -2.492 -0.396 -0.859) 2.665 45.395 ( -0.955 1.954 0.219) 2.186 45.569 ( 3.570 -3.473 -0.944) 5.070 45.808 ( 7.465 -5.823 2.885) 9.897 98.926 ( -1.483 0.871 -0.232) 1.736 98.999 ( 0.676 2.562 0.230) 2.659 99.377 ( -1.356 -1.665 1.002) 2.370 99.518 ( 1.769 -1.722 1.316) 2.798 99.604 ( -0.935 0.183 -0.379) 1.025 99.730 ( 2.200 -3.232 1.925) 4.358 100.210 ( -2.231 -2.010 0.259) 3.014 100.436 ( 5.516 1.250 -6.398) 8.540======================= Grid point 199 (97/114) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( 0.082 -5.870 -3.262) 6.716 1.172 ( 7.767 -6.535 -2.911) 10.560 1.338 ( 4.148 0.537 4.064) 5.832 1.443 ( 1.977 -0.333 1.006) 2.243 1.488 ( -0.995 -1.271 3.897) 4.218 1.563 ( 1.535 -0.221 3.046) 3.418 1.593 ( -2.851 -0.757 -1.158) 3.169 1.747 ( 1.147 1.578 2.015) 2.805 1.801 ( 2.414 -2.862 -5.709) 6.827 1.864 ( -0.924 1.312 -0.317) 1.636 2.016 ( -1.019 -0.455 -1.231) 1.662 2.150 ( -0.452 -2.097 1.619) 2.687 2.178 ( 0.562 -1.203 0.170) 1.338 2.219 ( -0.289 -1.032 1.556) 1.889 2.302 ( 1.800 -2.096 -0.047) 2.763 2.363 ( 3.641 2.748 -3.302) 5.631 2.459 ( -1.018 0.733 -4.363) 4.540 2.807 ( -2.358 3.474 3.040) 5.183 4.836 ( -0.610 -0.348 -0.122) 0.713 4.888 ( -0.118 0.739 0.336) 0.820 5.241 ( -2.179 0.567 -0.116) 2.254 5.408 ( 0.301 -1.187 -1.925) 2.281 5.463 ( -2.263 1.240 2.969) 3.934 5.631 ( -0.176 0.908 1.614) 1.861 5.680 ( 1.067 -0.021 -2.640) 2.848 5.794 ( 0.474 0.782 0.054) 0.916 7.067 ( -0.248 0.322 -1.391) 1.449 7.175 ( -0.006 -0.089 1.097) 1.100 7.699 ( -0.114 -1.357 0.166) 1.372 7.757 ( 0.729 0.385 0.386) 0.910 12.678 ( -4.722 4.481 0.709) 6.548 12.944 ( -3.625 3.560 1.396) 5.269 13.448 ( -6.125 3.833 -3.498) 8.028 14.277 ( 2.866 -3.665 1.052) 4.770 17.445 ( -1.627 -1.065 1.545) 2.483 17.565 ( 1.203 1.631 -3.397) 3.956 18.690 ( -2.421 -1.687 1.913) 3.517 18.917 ( 0.265 -1.303 -1.541) 2.036 18.970 ( -1.561 2.930 3.257) 4.651 19.002 ( 0.549 3.796 -0.066) 3.836 20.982 ( -0.655 1.381 -0.334) 1.564 21.028 ( -0.057 2.103 -1.672) 2.687 45.308 ( -1.629 -1.174 -0.929) 2.212 45.351 ( -0.271 2.327 0.153) 2.347 45.654 ( 2.545 -2.379 -0.564) 3.530 45.970 ( 4.341 -3.542 2.035) 5.961 98.909 ( -0.625 -0.401 -0.126) 0.753 98.961 ( 0.148 2.335 -0.228) 2.350 99.393 ( -0.738 -1.092 0.631) 1.461 99.547 ( 0.395 -0.334 0.523) 0.736 99.595 ( -0.396 -0.010 -0.116) 0.413 99.801 ( 0.608 -1.935 1.476) 2.508 100.236 ( 0.227 -1.218 0.874) 1.517 100.444 ( 3.104 0.441 -4.008) 5.089======================= Grid point 200 (98/114) =======================q-point: ( 0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -0.000 0.000 0.000) 0.000 1.302 ( -0.000 0.000 -0.000) 0.000 1.345 ( -0.000 0.000 0.000) 0.000 1.440 ( -0.000 0.000 0.000) 0.000 1.496 ( -0.000 0.000 0.000) 0.000 1.565 ( -0.000 0.000 0.000) 0.000 1.667 ( 0.000 -0.000 0.000) 0.000 1.692 ( -0.000 0.000 0.000) 0.000 1.816 ( -0.000 0.000 -0.000) 0.000 1.856 ( -0.000 0.000 0.000) 0.000 2.025 ( -0.000 0.000 0.000) 0.000 2.147 ( -0.000 0.000 0.000) 0.000 2.203 ( -0.000 0.000 0.000) 0.000 2.250 ( -0.000 0.000 -0.000) 0.000 2.277 ( -0.000 0.000 0.000) 0.000 2.345 ( -0.000 0.000 -0.000) 0.000 2.487 ( -0.000 0.000 -0.000) 0.000 2.754 ( -0.000 0.000 0.000) 0.000 4.836 ( -0.000 0.000 0.000) 0.000 4.882 ( -0.000 0.000 0.000) 0.000 5.220 ( -0.000 0.000 0.000) 0.000 5.423 ( -0.000 0.000 -0.000) 0.000 5.443 ( -0.000 0.000 0.000) 0.000 5.625 ( -0.000 0.000 -0.000) 0.000 5.681 ( -0.000 0.000 0.000) 0.000 5.788 ( -0.000 0.000 0.000) 0.000 7.059 ( -0.000 0.000 0.000) 0.000 7.177 ( -0.000 0.000 -0.000) 0.000 7.715 ( -0.000 0.000 0.000) 0.000 7.755 ( -0.000 -0.000 0.000) 0.000 12.610 ( -0.000 0.000 0.000) 0.000 12.887 ( -0.000 0.000 0.000) 0.000 13.376 ( -0.000 0.000 0.000) 0.000 14.333 ( -0.000 0.000 0.000) 0.000 17.453 ( -0.000 0.000 -0.000) 0.000 17.545 ( -0.000 0.000 0.000) 0.000 18.694 ( -0.000 0.000 -0.000) 0.000 18.928 ( 0.000 -0.000 -0.000) 0.000 18.930 ( -0.000 0.000 0.000) 0.000 18.986 ( -0.000 0.000 0.000) 0.000 20.967 ( -0.000 0.000 0.000) 0.000 21.005 ( -0.000 0.000 0.000) 0.000 45.317 ( -0.000 -0.000 -0.000) 0.000 45.319 ( 0.000 0.000 0.000) 0.000 45.689 ( -0.000 0.000 0.000) 0.000 46.031 ( -0.000 0.000 0.000) 0.000 98.917 ( -0.000 0.000 0.000) 0.000 98.933 ( -0.000 0.000 0.000) 0.000 99.400 ( -0.000 0.000 0.000) 0.000 99.553 ( -0.000 0.000 -0.000) 0.000 99.593 ( -0.000 0.000 0.000) 0.000 99.823 ( -0.000 0.000 0.000) 0.000 100.250 ( -0.000 0.000 0.000) 0.000 100.451 ( -0.000 0.000 0.000) 0.000======================= Grid point 206 (99/114) =======================q-point: ( 0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( 4.685 -0.000 -9.049) 10.190 0.933 ( 4.263 -0.000 -14.796) 15.398 1.202 ( 3.303 -0.000 6.552) 7.338 1.274 ( 9.039 -0.000 7.298) 11.617 1.555 ( -0.613 0.000 4.727) 4.766 1.579 ( 4.725 -0.000 -12.811) 13.655 1.593 ( 3.376 -0.000 -3.030) 4.537 1.610 ( 0.054 -0.000 7.404) 7.404 1.814 ( 4.212 -0.000 0.402) 4.231 1.865 ( -0.625 0.000 2.144) 2.233 1.949 ( 3.207 -0.000 6.732) 7.457 1.981 ( 4.042 -0.000 0.107) 4.043 2.171 ( -5.359 0.000 -1.611) 5.596 2.229 ( -3.513 0.000 -1.076) 3.674 2.313 ( 1.689 -0.000 -1.259) 2.107 2.372 ( 3.023 -0.000 -1.541) 3.393 2.583 ( -6.953 0.000 3.541) 7.803 2.844 ( 5.011 -0.000 -5.633) 7.539 4.845 ( -1.757 0.000 -1.871) 2.567 4.940 ( -1.170 0.000 3.556) 3.743 5.282 ( -2.219 0.000 -0.339) 2.245 5.395 ( 0.813 -0.000 0.947) 1.248 5.555 ( -3.232 0.000 0.106) 3.234 5.664 ( 0.858 -0.000 -1.451) 1.686 5.732 ( 1.613 -0.000 -5.676) 5.900 5.750 ( -2.750 0.000 6.513) 7.070 7.100 ( 0.215 -0.000 -2.072) 2.083 7.138 ( 0.125 -0.000 1.468) 1.473 7.699 ( 0.700 -0.000 -0.858) 1.107 7.704 ( -0.188 0.000 1.835) 1.845 12.936 ( -1.558 0.000 -0.199) 1.571 13.132 ( 2.024 -0.000 6.698) 6.997 13.776 ( -16.200 0.000 -8.842) 18.455 14.072 ( -8.741 0.000 0.384) 8.749 17.441 ( -4.050 0.000 0.294) 4.061 17.610 ( 3.179 -0.000 -4.567) 5.565 18.623 ( -3.219 0.000 4.465) 5.505 18.838 ( 2.642 -0.000 4.602) 5.307 19.135 ( -4.029 0.000 -0.637) 4.079 19.267 ( -4.099 0.000 7.988) 8.978 21.087 ( -2.862 0.000 -1.016) 3.037 21.179 ( -0.709 0.000 -2.006) 2.127 45.320 ( -2.818 0.000 0.662) 2.895 45.431 ( 0.109 -0.000 1.402) 1.406 45.524 ( 4.762 -0.000 -0.416) 4.780 45.660 ( 9.917 -0.000 -0.471) 9.928 98.958 ( -2.251 0.000 -0.511) 2.309 99.054 ( -1.036 0.000 3.673) 3.817 99.385 ( 3.148 -0.000 -0.573) 3.199 99.414 ( 2.002 -0.000 0.793) 2.154 99.625 ( -0.744 0.000 0.128) 0.755 99.644 ( 0.803 -0.000 -0.624) 1.017 100.171 ( -2.233 0.000 0.864) 2.394 100.468 ( 7.049 -0.000 -8.435) 10.992======================= Grid point 207 (100/114) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( 9.055 -1.947 -5.707) 10.879 0.969 ( 9.160 -4.079 -10.758) 14.707 1.294 ( 5.262 -2.393 3.915) 6.982 1.401 ( 5.817 -1.175 6.201) 8.583 1.530 ( 1.319 3.980 2.244) 4.756 1.597 ( 3.108 -1.975 -6.057) 7.088 1.611 ( 2.152 0.381 0.623) 2.272 1.688 ( 2.848 -0.834 -1.486) 3.319 1.773 ( 2.087 2.752 3.308) 4.783 1.962 ( 0.537 -1.146 0.952) 1.584 1.998 ( 3.730 -1.877 2.671) 4.957 2.037 ( -0.536 0.282 -1.552) 1.666 2.126 ( -0.987 -0.940 4.173) 4.390 2.174 ( -1.614 -0.598 -1.771) 2.470 2.306 ( 0.790 1.576 -0.682) 1.890 2.401 ( 3.756 -0.058 -1.976) 4.245 2.521 ( -4.984 1.044 0.424) 5.110 2.861 ( 0.720 -0.292 -3.872) 3.949 4.822 ( -1.232 -0.300 -0.971) 1.597 4.927 ( -1.638 1.091 2.282) 3.013 5.257 ( -1.384 0.371 -0.122) 1.438 5.400 ( -0.030 0.224 -0.127) 0.259 5.507 ( -2.988 1.561 1.120) 3.553 5.662 ( 0.305 0.062 -1.415) 1.449 5.695 ( 0.082 1.535 -1.623) 2.235 5.777 ( -1.611 -1.928 1.966) 3.190 7.086 ( 0.314 0.695 -2.185) 2.314 7.154 ( -0.258 -0.924 1.450) 1.739 7.684 ( 0.010 0.823 0.466) 0.946 7.737 ( 0.520 -1.567 0.805) 1.837 12.881 ( -1.618 5.209 0.944) 5.536 13.126 ( -0.881 5.407 5.422) 7.708 13.528 ( -16.762 1.033 -7.352) 18.332 14.021 ( -10.152 -8.199 -0.322) 13.053 17.408 ( -2.653 -0.707 0.269) 2.759 17.607 ( 1.407 0.666 -5.253) 5.479 18.633 ( -2.087 -1.134 6.965) 7.359 18.881 ( 0.523 -0.656 2.522) 2.658 19.070 ( -4.013 2.088 1.577) 4.791 19.196 ( -4.072 5.379 4.496) 8.107 21.039 ( -1.784 1.309 -2.410) 3.272 21.122 ( -1.886 2.639 -3.097) 4.485 45.296 ( -1.289 0.295 -0.029) 1.323 45.429 ( 0.840 1.743 0.284) 1.956 45.586 ( 5.366 -1.136 0.295) 5.492 45.815 ( 8.764 -4.361 0.142) 9.790 98.924 ( -1.475 0.895 -0.160) 1.733 99.040 ( -1.001 1.632 1.555) 2.467 99.375 ( 0.963 1.322 0.760) 1.803 99.492 ( 0.859 -3.550 -0.254) 3.661 99.608 ( -0.041 0.766 0.171) 0.786 99.685 ( 0.809 -3.413 -0.845) 3.608 100.199 ( 2.814 -0.790 4.164) 5.087 100.483 ( 4.833 1.184 -8.589) 9.926======================= Grid point 208 (101/114) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( 7.631 -2.442 -6.336) 10.214 1.162 ( 11.387 -6.100 -2.530) 13.164 1.412 ( 5.386 -1.323 0.366) 5.558 1.496 ( 3.996 2.336 -0.215) 4.634 1.500 ( 0.061 -0.703 7.990) 8.022 1.594 ( 0.958 2.969 -1.655) 3.532 1.618 ( 2.085 1.911 3.233) 4.295 1.737 ( 5.670 -2.878 -6.609) 9.172 1.813 ( 1.666 -0.676 3.965) 4.354 1.906 ( -0.744 5.259 -0.248) 5.318 1.969 ( -4.533 0.225 -2.712) 5.287 2.101 ( -0.790 -4.212 3.809) 5.734 2.139 ( -0.452 -2.321 0.609) 2.441 2.235 ( 3.162 0.233 -1.624) 3.562 2.301 ( 1.181 -1.015 2.573) 3.008 2.422 ( 0.503 3.293 -4.849) 5.883 2.453 ( 1.570 -0.295 -0.169) 1.607 2.821 ( -3.738 1.632 -1.172) 4.244 4.820 ( -0.465 -0.791 -0.201) 0.939 4.899 ( -1.087 0.947 0.672) 1.590 5.237 ( -0.107 0.734 -0.473) 0.880 5.390 ( 0.188 -0.004 -1.421) 1.433 5.466 ( -2.540 0.634 3.355) 4.256 5.653 ( 0.205 0.612 -1.148) 1.317 5.679 ( 0.155 0.219 -0.037) 0.271 5.782 ( -2.074 -0.757 -0.401) 2.244 7.069 ( 0.617 0.614 -2.021) 2.200 7.167 ( -1.072 -0.654 1.320) 1.821 7.685 ( 0.197 -0.431 0.745) 0.883 7.764 ( 0.257 -0.587 0.460) 0.788 12.747 ( -1.752 7.454 1.084) 7.733 13.013 ( -1.787 6.295 1.999) 6.842 13.344 ( -11.494 -1.571 -3.308) 12.063 14.099 ( -9.381 -12.362 -0.010) 15.519 17.409 ( -1.259 -1.614 0.939) 2.252 17.575 ( 0.068 1.015 -4.957) 5.060 18.668 ( -1.235 -1.120 6.938) 7.136 18.890 ( -1.164 -0.799 -1.509) 2.066 19.002 ( -3.391 2.335 3.296) 5.273 19.086 ( -0.234 5.232 1.168) 5.366 20.990 ( -0.662 1.189 -2.662) 2.990 21.046 ( -1.405 2.039 -2.824) 3.756 45.284 ( 0.091 0.006 -0.571) 0.578 45.401 ( 1.094 2.547 -0.447) 2.808 45.670 ( 4.747 -0.935 1.286) 5.006 45.965 ( 4.963 -3.457 -0.154) 6.050 98.902 ( -0.440 0.284 -0.076) 0.529 98.999 ( -0.643 2.256 -0.198) 2.354 99.382 ( 0.284 -0.442 1.769) 1.846 99.531 ( -0.375 -1.527 -0.943) 1.833 99.603 ( 0.518 0.560 0.861) 1.150 99.748 ( 0.318 -3.726 -2.228) 4.353 100.264 ( 2.988 0.466 4.715) 5.602 100.471 ( 2.832 1.121 -5.119) 5.957======================= Grid point 209 (102/114) =======================q-point: ( 0.50 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( 6.567 -2.187 -4.228) 8.111 1.322 ( 3.748 0.020 -1.131) 3.915 1.415 ( 2.593 3.097 -1.708) 4.386 1.483 ( 2.658 3.008 -0.795) 4.092 1.523 ( 0.389 2.418 5.199) 5.747 1.582 ( 1.358 0.717 -2.064) 2.572 1.644 ( 2.483 -1.454 -0.263) 2.889 1.755 ( -0.029 4.055 -1.118) 4.206 1.822 ( 1.191 1.746 -0.093) 2.115 1.861 ( -0.148 -0.716 4.871) 4.926 1.964 ( -0.617 -4.231 -1.372) 4.491 2.162 ( 0.677 -1.763 -1.090) 2.180 2.188 ( 0.095 -2.333 3.175) 3.941 2.218 ( -1.175 0.501 0.560) 1.395 2.325 ( 0.576 4.212 -4.007) 5.842 2.355 ( 1.288 -0.593 3.118) 3.425 2.492 ( 0.868 0.092 -0.699) 1.118 2.736 ( -3.545 0.831 -2.091) 4.199 4.831 ( 0.144 -0.711 0.070) 0.729 4.881 ( -0.603 0.238 -0.001) 0.648 5.233 ( 2.164 0.384 -0.807) 2.341 5.408 ( 1.735 -1.474 -1.440) 2.694 5.448 ( -2.557 0.445 3.871) 4.660 5.636 ( -0.197 0.938 -0.145) 0.969 5.681 ( -0.118 -0.091 0.389) 0.416 5.762 ( -2.367 -0.722 -1.716) 3.011 7.064 ( 1.054 0.153 -1.225) 1.623 7.166 ( -1.514 -0.461 0.765) 1.758 7.704 ( 0.203 -0.938 0.731) 1.206 7.765 ( -0.232 0.628 -0.021) 0.670 12.653 ( 2.068 3.418 0.562) 4.034 12.950 ( 4.422 3.466 1.395) 5.789 13.284 ( -7.058 -5.223 -0.862) 8.823 14.171 ( -12.075 -9.881 -0.905) 15.629 17.436 ( -0.259 -1.726 1.014) 2.018 17.539 ( -0.513 0.376 -3.153) 3.216 18.707 ( 0.369 -0.709 5.588) 5.645 18.886 ( -0.525 -1.895 -3.557) 4.064 18.951 ( -1.831 1.675 2.848) 3.777 19.024 ( 0.469 3.535 0.387) 3.587 20.963 ( 0.060 0.181 -2.190) 2.198 21.001 ( -0.984 0.484 -1.191) 1.619 45.296 ( 1.268 -0.741 -0.465) 1.540 45.372 ( 1.451 2.311 -0.150) 2.733 45.719 ( 2.664 1.291 2.011) 3.579 46.024 ( 0.236 -0.306 -1.691) 1.735 98.905 ( 0.218 -0.658 0.134) 0.706 98.956 ( -0.289 1.864 -0.400) 1.928 99.404 ( 0.534 -0.403 1.805) 1.925 99.538 ( -0.763 -0.837 -1.234) 1.675 99.606 ( 0.868 0.574 1.172) 1.567 99.787 ( -0.294 -2.360 -3.715) 4.411 100.286 ( 2.313 1.851 1.616) 3.375 100.460 ( -0.276 1.008 0.397) 1.118======================= Grid point 210 (103/114) =======================q-point: (-0.38 0.12 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( 3.709 2.049 -2.248) 4.797 1.239 ( -2.641 6.617 1.739) 7.333 1.339 ( -1.832 5.798 -3.488) 7.010 1.446 ( 0.585 2.697 -4.039) 4.891 1.533 ( 0.767 1.864 4.414) 4.852 1.550 ( 0.479 0.983 -3.534) 3.699 1.668 ( 2.862 1.258 -2.037) 3.732 1.711 ( 1.087 0.790 -0.741) 1.535 1.842 ( 2.591 -0.134 2.231) 3.422 1.884 ( -0.305 1.268 6.163) 6.299 2.012 ( -0.085 -1.652 -0.165) 1.663 2.165 ( -0.641 0.090 -0.694) 0.949 2.180 ( 0.119 1.872 -2.472) 3.104 2.256 ( -4.338 -3.530 4.799) 7.370 2.261 ( 1.559 2.755 -4.235) 5.287 2.355 ( -2.983 4.073 1.191) 5.187 2.483 ( 1.587 -1.590 7.200) 7.542 2.736 ( 0.406 -3.982 -6.218) 7.395 4.845 ( 0.610 -0.303 0.126) 0.693 4.876 ( -0.431 -0.341 -0.091) 0.557 5.267 ( 3.884 -0.306 -0.537) 3.933 5.419 ( -2.398 0.617 0.969) 2.659 5.462 ( 3.377 -1.441 -0.102) 3.673 5.621 ( -0.675 0.215 -0.037) 0.709 5.680 ( -0.527 0.055 1.261) 1.368 5.747 ( -2.624 -1.845 -1.419) 3.507 7.076 ( 1.320 -0.207 0.197) 1.350 7.159 ( -1.379 -0.558 -0.284) 1.514 7.717 ( 0.009 0.211 0.510) 0.552 7.745 ( -0.602 0.579 -0.458) 0.952 12.693 ( 6.956 -1.517 0.040) 7.120 12.968 ( 3.177 1.394 -0.035) 3.470 13.391 ( 3.894 -10.007 2.446) 11.013 14.142 ( -14.822 -6.127 -2.212) 16.190 17.461 ( 1.274 -0.487 -1.026) 1.706 17.531 ( -1.575 -1.441 0.717) 2.252 18.751 ( 2.851 0.624 3.993) 4.946 18.919 ( 1.277 -3.658 -4.482) 5.925 18.934 ( -1.432 -0.494 3.199) 3.540 18.964 ( -1.311 3.068 -1.035) 3.493 20.965 ( 0.753 -1.059 -1.658) 2.106 20.998 ( -0.987 -1.455 0.691) 1.889 45.329 ( 1.669 -1.062 -0.137) 1.983 45.360 ( 1.891 1.167 0.293) 2.241 45.705 ( 1.020 3.922 2.713) 4.877 45.965 ( -4.113 3.140 -3.460) 6.225 98.923 ( 0.364 -0.377 0.161) 0.548 98.933 ( 0.040 -0.077 -0.036) 0.094 99.422 ( 1.301 0.458 1.430) 1.987 99.532 ( -1.164 -0.445 -1.438) 1.903 99.614 ( 1.433 0.638 1.398) 2.101 99.781 ( -1.636 -0.443 -4.676) 4.973 100.283 ( 2.779 2.183 0.214) 3.540 100.429 ( -3.320 1.025 3.317) 4.804======================= Grid point 211 (104/114) =======================q-point: (-0.25 0.12 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 1.166 6.442 1.142) 6.645 1.111 ( -3.947 4.894 0.779) 6.335 1.217 ( 0.154 5.710 1.587) 5.929 1.336 ( -3.891 4.734 -6.123) 8.663 1.520 ( 2.476 2.025 2.544) 4.087 1.562 ( 2.192 -0.266 -2.864) 3.617 1.664 ( 1.350 1.605 -2.042) 2.928 1.688 ( -2.291 0.401 -0.835) 2.472 1.853 ( 1.986 4.638 7.237) 8.822 1.900 ( 2.807 0.278 0.276) 2.834 2.011 ( -2.018 1.268 -0.701) 2.484 2.074 ( -5.418 4.483 -2.520) 7.470 2.178 ( 2.653 -0.920 -1.397) 3.136 2.225 ( 0.298 1.077 0.824) 1.389 2.259 ( -1.515 1.478 -0.814) 2.268 2.272 ( -4.299 -2.015 2.177) 5.223 2.618 ( 5.187 -3.254 7.192) 9.445 2.769 ( -1.904 -3.559 -6.197) 7.396 4.858 ( 0.892 -0.206 0.475) 1.031 4.879 ( -0.450 -0.739 -0.600) 1.054 5.311 ( 3.506 0.042 -0.047) 3.507 5.383 ( -2.399 0.428 -0.343) 2.460 5.533 ( 4.210 -1.364 0.435) 4.447 5.609 ( -1.294 -0.428 -1.330) 1.904 5.691 ( -0.220 -0.873 3.498) 3.612 5.745 ( -2.293 -1.976 -2.135) 3.704 7.100 ( 1.346 -0.253 1.509) 2.038 7.147 ( -1.312 -0.140 -1.425) 1.942 7.707 ( 0.603 0.967 0.260) 1.169 7.731 ( -1.049 0.153 -0.471) 1.160 12.829 ( 7.750 -3.404 0.153) 8.466 12.966 ( -2.281 -1.427 -1.472) 3.067 13.693 ( 12.656 -10.279 4.876) 17.018 14.053 ( -13.613 -5.076 -3.211) 14.879 17.484 ( 3.176 -0.386 -1.798) 3.669 17.541 ( -3.187 -1.620 2.423) 4.319 18.771 ( 4.465 3.369 0.920) 5.669 18.876 ( -3.070 3.450 -1.703) 4.922 18.979 ( -0.400 -4.631 3.081) 5.577 18.997 ( 0.853 -5.750 -3.267) 6.668 21.004 ( 1.362 -2.633 -0.537) 3.013 21.028 ( -1.154 -2.969 0.950) 3.324 45.356 ( 1.697 -0.044 0.742) 1.853 45.381 ( 0.937 -1.041 -0.452) 1.472 45.651 ( 2.069 5.757 3.394) 6.996 45.806 ( -6.673 5.636 -4.362) 9.763 98.931 ( 1.005 -0.440 0.177) 1.111 98.952 ( -0.710 -1.661 -0.001) 1.806 99.432 ( 2.516 1.554 1.059) 3.141 99.507 ( -2.212 0.667 -1.737) 2.890 99.630 ( 2.154 0.720 1.554) 2.752 99.721 ( -3.280 1.474 -3.756) 5.199 100.287 ( 4.720 1.846 -0.592) 5.103 100.388 ( -5.350 0.179 4.017) 6.693======================= Grid point 212 (105/114) =======================q-point: (-0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( -2.262 3.435 -9.074) 9.963 0.978 ( 2.262 3.435 9.074) 9.963 1.169 ( -3.170 5.332 -7.865) 10.017 1.169 ( 3.170 5.332 7.865) 10.017 1.538 ( -0.820 0.755 -4.781) 4.909 1.538 ( 0.820 0.755 4.781) 4.909 1.654 ( 0.711 0.934 -3.096) 3.311 1.654 ( -0.711 0.934 3.096) 3.311 1.839 ( -3.557 4.243 -7.027) 8.946 1.839 ( 3.557 4.243 7.027) 8.946 1.969 ( -1.773 1.683 -1.851) 3.066 1.969 ( 1.773 1.683 1.851) 3.066 2.226 ( 2.475 -0.767 -4.397) 5.104 2.226 ( -2.475 -0.767 4.397) 5.104 2.266 ( -2.866 -1.974 -0.095) 3.481 2.266 ( 2.866 -1.974 0.095) 3.481 2.743 ( 0.732 -1.029 -10.502) 10.577 2.743 ( -0.732 -1.029 10.502) 10.577 4.881 ( -0.518 -0.862 -2.003) 2.241 4.881 ( 0.518 -0.862 2.003) 2.241 5.347 ( -2.762 0.092 -0.737) 2.860 5.347 ( 2.762 0.092 0.737) 2.860 5.595 ( -1.305 -1.127 -2.545) 3.074 5.595 ( 1.305 -1.127 2.545) 3.074 5.736 ( 0.478 -1.044 -6.192) 6.298 5.736 ( -0.478 -1.044 6.192) 6.298 7.123 ( -0.935 0.151 -2.101) 2.304 7.123 ( 0.935 0.151 2.101) 2.304 7.708 ( -0.854 0.548 -0.767) 1.272 7.708 ( 0.854 0.548 0.767) 1.272 12.956 ( -3.235 -2.790 -3.032) 5.239 12.956 ( 3.235 -2.790 3.032) 5.239 13.996 ( -7.753 -5.934 -6.701) 11.842 13.996 ( 7.753 -5.934 6.701) 11.842 17.529 ( 2.649 -0.735 -2.205) 3.524 17.529 ( -2.649 -0.735 2.205) 3.524 18.767 ( -2.846 3.142 -2.720) 5.037 18.767 ( 2.846 3.142 2.720) 5.037 19.091 ( 0.600 -6.314 -4.192) 7.602 19.091 ( -0.600 -6.314 4.192) 7.602 21.074 ( 0.432 -3.657 -0.973) 3.809 21.074 ( -0.432 -3.657 0.973) 3.809 45.387 ( -1.203 -0.741 -1.385) 1.979 45.387 ( 1.203 -0.741 1.385) 1.979 45.610 ( -5.727 5.997 -3.360) 8.947 45.610 ( 5.727 5.997 3.360) 8.947 98.967 ( -1.733 -1.823 -0.257) 2.529 98.967 ( 1.733 -1.823 0.257) 2.529 99.436 ( -1.206 2.742 -2.956) 4.208 99.436 ( 1.206 2.742 2.956) 4.208 99.650 ( -2.381 1.011 -1.342) 2.914 99.650 ( 2.381 1.011 1.342) 2.914 100.330 ( 1.941 0.361 -3.357) 3.894 100.330 ( -1.941 0.361 3.357) 3.894======================= Grid point 216 (106/114) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 15.523 -0.000 0.103) 15.523 0.979 ( 10.728 -0.000 -11.594) 15.796 1.345 ( 5.975 -0.000 1.522) 6.166 1.477 ( 3.166 -0.000 7.569) 8.204 1.571 ( 5.318 -0.000 -9.974) 11.303 1.615 ( 1.770 -0.000 3.342) 3.782 1.682 ( 4.853 -0.000 -1.050) 4.965 1.688 ( 2.334 -0.000 2.747) 3.605 1.873 ( 0.180 -0.000 -2.377) 2.384 1.889 ( -1.082 0.000 7.827) 7.902 1.998 ( -1.989 0.000 -3.509) 4.033 2.089 ( 0.923 -0.000 -1.861) 2.077 2.110 ( -1.209 0.000 0.734) 1.414 2.175 ( 5.384 -0.000 6.332) 8.312 2.323 ( 0.313 -0.000 -2.146) 2.169 2.432 ( 2.724 -0.000 1.335) 3.034 2.486 ( -3.819 0.000 0.838) 3.910 2.830 ( -0.754 0.000 -7.458) 7.496 4.802 ( -0.768 0.000 -0.728) 1.059 4.922 ( -2.432 0.000 1.767) 3.006 5.253 ( 0.109 -0.000 -0.209) 0.236 5.401 ( 0.137 -0.000 -0.614) 0.629 5.500 ( -2.730 0.000 2.096) 3.442 5.648 ( 0.050 -0.000 -3.177) 3.177 5.704 ( 0.156 -0.000 -4.924) 4.927 5.739 ( -3.643 0.000 6.365) 7.334 7.089 ( 0.630 -0.000 -2.164) 2.254 7.145 ( -0.659 0.000 1.257) 1.420 7.709 ( 0.819 -0.000 -0.901) 1.217 7.718 ( -0.451 0.000 2.487) 2.528 12.936 ( 0.975 -0.000 0.389) 1.050 13.190 ( -3.881 0.000 -0.349) 3.897 13.311 ( -14.828 0.000 0.286) 14.831 13.760 ( -17.067 0.000 -0.867) 17.089 17.379 ( -1.432 0.000 0.087) 1.435 17.593 ( -0.132 0.000 -5.753) 5.755 18.646 ( -1.450 0.000 9.593) 9.702 18.875 ( -1.834 0.000 -0.128) 1.839 19.048 ( -4.026 0.000 2.698) 4.847 19.213 ( -4.695 0.000 4.784) 6.703 21.017 ( -1.104 0.000 -4.016) 4.165 21.096 ( -3.201 0.000 -3.790) 4.961 45.296 ( 0.036 -0.000 0.478) 0.479 45.453 ( 0.376 -0.000 -1.214) 1.271 45.648 ( 6.613 -0.000 1.879) 6.874 45.879 ( 9.352 -0.000 -1.630) 9.492 98.917 ( -1.063 0.000 -0.039) 1.063 99.042 ( -2.165 0.000 1.393) 2.575 99.410 ( -1.183 0.000 -0.822) 1.441 99.453 ( 2.971 -0.000 -1.494) 3.326 99.623 ( 0.752 -0.000 0.428) 0.866 99.661 ( 1.332 -0.000 -0.693) 1.501 100.270 ( 4.251 -0.000 8.796) 9.770 100.499 ( 3.884 -0.000 -9.630) 10.383======================= Grid point 217 (107/114) =======================q-point: ( 0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( 12.587 2.473 -6.345) 14.311 1.203 ( 12.947 -4.437 0.077) 13.686 1.440 ( 6.048 -2.267 -1.180) 6.566 1.526 ( 0.409 0.532 5.556) 5.596 1.577 ( 1.824 2.250 -0.627) 2.964 1.638 ( 2.202 0.679 -0.921) 2.481 1.699 ( 4.724 1.931 -0.294) 5.111 1.756 ( 3.485 -1.122 -0.094) 3.663 1.823 ( -1.623 0.094 -0.258) 1.646 1.911 ( -2.702 0.566 3.020) 4.092 1.998 ( 0.223 3.693 -1.056) 3.847 2.037 ( -0.261 -3.503 0.979) 3.646 2.130 ( 2.126 0.587 -0.231) 2.217 2.279 ( 2.826 1.063 0.067) 3.020 2.303 ( 0.709 -1.376 2.640) 3.060 2.438 ( -1.828 1.505 -1.740) 2.938 2.476 ( 2.409 -0.405 1.691) 2.971 2.772 ( -3.954 0.133 -6.187) 7.343 4.802 ( -0.027 -0.698 -0.244) 0.740 4.896 ( -2.065 0.433 0.625) 2.201 5.256 ( 1.766 0.557 -0.652) 1.963 5.399 ( 1.087 0.496 -0.845) 1.464 5.465 ( -2.827 1.138 2.900) 4.207 5.637 ( -0.414 -0.535 -3.089) 3.162 5.684 ( -0.307 -0.177 -1.376) 1.421 5.734 ( -3.593 -0.955 2.626) 4.552 7.080 ( 0.972 0.696 -2.057) 2.379 7.147 ( -1.388 -0.593 1.204) 1.931 7.697 ( 0.512 0.775 0.776) 1.210 7.748 ( -0.284 -1.518 0.742) 1.713 12.877 ( 0.525 7.428 -0.635) 7.474 13.051 ( -7.571 0.146 -5.856) 9.573 13.204 ( -6.960 2.954 6.187) 9.770 13.712 ( -15.902 -14.208 0.649) 21.334 17.380 ( -0.255 -1.063 0.707) 1.302 17.555 ( -1.114 0.327 -5.367) 5.492 18.678 ( -1.866 -0.560 9.460) 9.658 18.842 ( -2.822 -0.720 -3.598) 4.629 19.015 ( -2.312 1.381 4.061) 4.873 19.159 ( -1.842 3.237 2.248) 4.350 20.983 ( -0.136 0.607 -4.518) 4.561 21.035 ( -2.523 0.962 -2.981) 4.022 45.299 ( 1.189 0.548 0.222) 1.328 45.435 ( -0.001 1.020 -2.063) 2.301 45.741 ( 6.776 0.136 3.228) 7.507 45.978 ( 5.959 -1.509 -2.227) 6.539 98.905 ( -0.178 0.378 0.121) 0.435 99.011 ( -1.902 0.970 -0.397) 2.172 99.394 ( 0.267 0.219 1.007) 1.065 99.490 ( 0.429 -1.755 -2.184) 2.834 99.629 ( 1.098 0.733 1.188) 1.776 99.695 ( 1.319 -2.193 -1.866) 3.167 100.346 ( 2.546 1.218 8.591) 9.043 100.489 ( 2.824 0.559 -7.134) 7.693======================= Grid point 218 (108/114) =======================q-point: ( 0.50 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 11.871 1.421 -3.326) 12.410 1.370 ( 6.578 -0.701 -0.953) 6.684 1.474 ( 1.344 3.072 -1.600) 3.716 1.551 ( 0.874 1.975 1.795) 2.808 1.556 ( -0.889 -1.869 0.902) 2.258 1.603 ( -0.992 3.004 -1.754) 3.617 1.694 ( 3.299 3.119 -2.173) 5.033 1.781 ( -1.510 -0.198 2.424) 2.862 1.874 ( 4.533 -3.329 -1.466) 5.812 1.887 ( 0.005 1.739 3.018) 3.483 1.946 ( 3.326 3.435 3.097) 5.697 2.114 ( 0.541 -3.301 0.062) 3.346 2.155 ( -0.330 -1.875 2.408) 3.070 2.231 ( -0.541 1.727 -4.288) 4.654 2.375 ( 0.535 0.904 2.335) 2.561 2.384 ( 1.789 1.121 0.071) 2.112 2.501 ( 0.059 0.396 0.792) 0.887 2.681 ( -5.129 0.576 -4.825) 7.065 4.819 ( 0.464 -0.993 0.037) 1.097 4.872 ( -1.392 0.078 -0.087) 1.397 5.272 ( 3.780 0.586 -1.261) 4.028 5.411 ( 1.553 -0.236 -0.004) 1.571 5.439 ( -2.075 0.090 3.154) 3.777 5.621 ( -2.270 -0.670 -1.954) 3.069 5.683 ( -0.742 -0.025 1.755) 1.906 5.714 ( -1.989 -0.449 -1.655) 2.627 7.075 ( 1.541 0.331 -1.838) 2.421 7.141 ( -2.141 -0.402 1.194) 2.484 7.705 ( 0.765 -0.194 1.096) 1.350 7.761 ( -0.711 -0.451 -0.032) 0.842 12.765 ( 2.997 5.666 -0.434) 6.425 13.055 ( 1.495 -7.220 -1.990) 7.637 13.103 ( -4.488 3.942 3.074) 6.719 13.777 ( -17.760 -14.164 -0.145) 22.717 17.411 ( 0.359 -1.715 1.458) 2.279 17.514 ( -1.262 0.022 -4.229) 4.414 18.715 ( -1.239 -1.537 7.319) 7.581 18.818 ( -1.805 -2.144 -4.516) 5.316 18.990 ( -0.022 2.373 4.057) 4.700 19.093 ( -0.485 3.833 0.047) 3.864 20.957 ( 0.542 0.347 -3.657) 3.713 20.988 ( -1.767 0.507 -1.188) 2.188 45.312 ( 2.212 0.155 0.060) 2.218 45.407 ( -0.153 1.113 -1.394) 1.790 45.809 ( 5.156 2.054 3.856) 6.758 46.018 ( 0.959 0.309 -3.145) 3.302 98.906 ( 0.637 -0.008 0.338) 0.721 98.971 ( -1.258 1.134 -0.802) 1.874 99.413 ( 0.707 -0.591 2.228) 2.411 99.501 ( -0.778 -1.245 -2.372) 2.790 99.637 ( 1.263 0.671 1.977) 2.440 99.729 ( 0.308 -1.979 -3.612) 4.130 100.365 ( 2.677 2.583 2.575) 4.524 100.475 ( -0.369 1.098 -0.467) 1.249======================= Grid point 219 (109/114) =======================q-point: ( 0.62 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( 8.619 3.695 -1.007) 9.432 1.333 ( -1.913 6.459 -0.337) 6.745 1.396 ( -0.619 4.521 -2.006) 4.985 1.476 ( -3.947 3.254 -3.850) 6.402 1.558 ( 1.987 0.130 -0.046) 1.992 1.583 ( -0.668 0.731 2.510) 2.699 1.695 ( 4.411 1.144 -3.205) 5.571 1.756 ( -2.251 1.894 2.393) 3.792 1.907 ( 4.368 0.829 1.851) 4.816 1.953 ( 2.659 2.172 5.883) 6.812 1.975 ( 2.897 -3.173 -1.356) 4.505 2.139 ( -5.902 -0.183 -0.983) 5.986 2.167 ( 2.302 -1.585 -2.975) 4.082 2.206 ( -1.890 0.014 1.764) 2.585 2.323 ( 2.665 3.676 -3.234) 5.574 2.388 ( -4.098 3.462 2.249) 5.817 2.508 ( 1.547 -1.804 8.275) 8.609 2.634 ( -1.559 -3.002 -7.975) 8.663 4.842 ( 0.697 -0.827 0.101) 1.086 4.862 ( -0.902 -0.424 -0.133) 1.006 5.312 ( 4.861 0.085 -1.269) 5.025 5.397 ( -3.657 0.270 1.912) 4.135 5.480 ( 4.162 -1.554 0.523) 4.473 5.592 ( -4.010 -1.109 -0.736) 4.225 5.681 ( -1.911 0.143 4.841) 5.207 5.695 ( 0.543 -0.227 -5.125) 5.159 7.088 ( 1.983 -0.289 -1.078) 2.276 7.128 ( -2.235 -0.603 0.828) 2.459 7.722 ( 0.636 -0.077 0.965) 1.158 7.748 ( -0.850 0.551 -0.609) 1.182 12.777 ( 8.326 0.816 -0.026) 8.366 12.987 ( -8.259 1.436 0.591) 8.404 13.310 ( 15.009 -10.435 1.600) 18.350 13.767 ( -20.548 -11.317 -1.939) 23.539 17.452 ( 0.833 -1.532 1.112) 2.068 17.492 ( -1.226 -0.923 -2.056) 2.566 18.778 ( 0.320 -2.693 6.170) 6.739 18.835 ( -0.352 -3.722 -4.837) 6.113 18.966 ( 0.867 3.094 2.632) 4.153 19.014 ( -1.042 4.165 -1.290) 4.483 20.952 ( 1.130 -0.490 -2.552) 2.833 20.968 ( -1.555 -0.580 0.752) 1.822 45.342 ( 2.418 -0.319 0.085) 2.441 45.383 ( -0.571 0.621 -0.496) 0.979 45.825 ( 4.007 4.203 4.294) 7.222 45.957 ( -3.310 3.167 -4.218) 6.227 98.920 ( 0.769 -0.308 0.391) 0.916 98.941 ( -0.661 0.698 -0.469) 1.070 99.444 ( 1.149 -0.537 2.435) 2.746 99.496 ( -1.280 -0.948 -2.334) 2.826 99.655 ( 1.746 0.551 2.837) 3.376 99.728 ( -1.306 -0.799 -4.548) 4.799 100.361 ( 3.778 2.539 -0.638) 4.597 100.431 ( -3.392 1.977 2.377) 4.589======================= Grid point 220 (110/114) =======================q-point: (-0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 0.265 6.845 -3.896) 7.880 1.160 ( -0.265 6.845 3.896) 7.880 1.352 ( -3.444 4.586 -3.725) 6.839 1.352 ( 3.444 4.586 3.725) 6.839 1.571 ( 2.681 0.467 -5.117) 5.795 1.571 ( -2.681 0.467 5.117) 5.795 1.697 ( 3.111 2.227 -3.175) 4.971 1.697 ( -3.111 2.227 3.175) 4.971 1.941 ( 2.276 1.155 -1.759) 3.100 1.941 ( -2.276 1.155 1.759) 3.100 2.052 ( -5.710 1.196 -1.785) 6.101 2.052 ( 5.710 1.196 1.785) 6.101 2.190 ( 0.048 -0.513 -1.225) 1.329 2.190 ( -0.048 -0.513 1.225) 1.329 2.284 ( 3.469 3.203 -4.893) 6.800 2.284 ( -3.469 3.203 4.893) 6.800 2.637 ( -0.379 -4.226 -11.700) 12.445 2.637 ( 0.379 -4.226 11.700) 12.445 4.862 ( -0.131 -0.513 -0.659) 0.845 4.862 ( 0.131 -0.513 0.659) 0.845 5.354 ( -2.354 0.297 -0.086) 2.374 5.354 ( 2.354 0.297 0.086) 2.374 5.563 ( -4.507 -1.328 -0.184) 4.702 5.563 ( 4.507 -1.328 0.184) 4.702 5.689 ( 2.485 -0.824 -7.192) 7.654 5.689 ( -2.485 -0.824 7.192) 7.654 7.117 ( -0.177 -0.544 -1.932) 2.015 7.117 ( 0.177 -0.544 1.932) 2.015 7.727 ( -0.352 0.563 -0.709) 0.971 7.727 ( 0.352 0.563 0.709) 0.971 12.885 ( -6.189 -0.840 -1.684) 6.468 12.885 ( 6.189 -0.840 1.684) 6.468 13.707 ( -14.278 -10.638 -6.545) 18.970 13.707 ( 14.278 -10.638 6.545) 18.970 17.493 ( 1.480 -1.320 -3.245) 3.803 17.493 ( -1.480 -1.320 3.245) 3.803 18.863 ( 1.010 -1.457 -9.300) 9.467 18.863 ( -1.010 -1.457 9.300) 9.467 18.936 ( 0.917 1.081 -2.673) 3.025 18.936 ( -0.917 1.081 2.673) 3.025 20.977 ( 1.448 -1.770 -1.377) 2.670 20.977 ( -1.448 -1.770 1.377) 2.670 45.369 ( -1.106 -0.262 -0.220) 1.158 45.369 ( 1.106 -0.262 0.220) 1.158 45.812 ( -4.698 5.378 -4.813) 8.611 45.812 ( 4.698 5.378 4.813) 8.611 98.932 ( -0.173 -0.310 -0.128) 0.378 98.932 ( 0.173 -0.310 0.128) 0.378 99.478 ( -0.722 -0.083 -3.377) 3.454 99.478 ( 0.722 -0.083 3.377) 3.454 99.686 ( -2.258 0.641 -4.022) 4.657 99.686 ( 2.258 0.641 4.022) 4.657 100.364 ( 2.534 1.803 -4.523) 5.489 100.364 ( -2.534 1.803 4.523) 5.489======================= Grid point 226 (111/114) =======================q-point: ( 0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( 12.155 -0.000 -5.996) 13.553 1.318 ( 11.806 -0.000 2.584) 12.086 1.473 ( 5.024 -0.000 -3.250) 5.983 1.561 ( -2.027 0.000 6.898) 7.189 1.603 ( 0.651 -0.000 -2.818) 2.892 1.657 ( -0.993 0.000 1.845) 2.095 1.746 ( 0.118 -0.000 -1.481) 1.486 1.775 ( 4.042 -0.000 -0.271) 4.051 1.804 ( 2.022 -0.000 -1.522) 2.531 1.918 ( -5.534 0.000 7.715) 9.494 2.025 ( 5.109 -0.000 -2.850) 5.851 2.034 ( 3.299 -0.000 0.949) 3.433 2.162 ( 1.323 -0.000 -2.811) 3.107 2.278 ( -1.998 0.000 -3.120) 3.705 2.346 ( 2.540 -0.000 7.856) 8.257 2.422 ( -1.450 0.000 -0.930) 1.723 2.507 ( 1.128 -0.000 3.585) 3.758 2.691 ( -3.695 0.000 -9.260) 9.970 4.798 ( 0.702 -0.000 -0.034) 0.702 4.876 ( -2.254 0.000 0.196) 2.263 5.285 ( 3.191 -0.000 -1.067) 3.365 5.413 ( 0.222 -0.000 0.764) 0.795 5.461 ( -1.404 0.000 1.220) 1.860 5.605 ( -2.833 0.000 -0.646) 2.906 5.662 ( 2.185 -0.000 -7.338) 7.656 5.706 ( -4.444 0.000 6.495) 7.870 7.090 ( 1.171 -0.000 -1.862) 2.200 7.132 ( -1.499 0.000 1.189) 1.913 7.718 ( 0.967 -0.000 -1.404) 1.705 7.727 ( -0.963 0.000 2.678) 2.846 12.902 ( -7.654 0.000 -4.476) 8.866 12.947 ( 0.292 -0.000 -4.613) 4.622 13.256 ( -3.346 0.000 7.075) 7.826 13.381 ( -14.267 0.000 2.760) 14.531 17.379 ( 0.829 -0.000 1.212) 1.469 17.516 ( -1.852 0.000 -4.887) 5.226 18.688 ( -3.455 0.000 9.738) 10.333 18.779 ( -2.239 0.000 -6.525) 6.898 19.037 ( -0.152 0.000 5.556) 5.558 19.170 ( -1.932 0.000 0.530) 2.004 20.968 ( 0.695 -0.000 -5.078) 5.125 21.001 ( -2.520 0.000 -1.536) 2.951 45.322 ( 1.470 -0.000 0.946) 1.748 45.423 ( -0.806 0.000 -3.012) 3.118 45.843 ( 6.914 -0.000 4.387) 8.189 46.016 ( 4.288 -0.000 -3.378) 5.458 98.910 ( 0.262 -0.000 0.422) 0.497 98.990 ( -2.167 0.000 -1.198) 2.476 99.402 ( 0.517 -0.000 1.135) 1.247 99.473 ( 0.355 -0.000 -2.238) 2.266 99.655 ( 1.193 -0.000 1.021) 1.570 99.685 ( 1.269 -0.000 -1.144) 1.709 100.422 ( -0.152 0.000 11.296) 11.297 100.489 ( 3.509 -0.000 -9.388) 10.022======================= Grid point 227 (112/114) =======================q-point: ( 0.50 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 11.695 1.215 -2.257) 11.972 1.438 ( 5.484 0.160 1.121) 5.600 1.486 ( -2.123 -1.051 -6.156) 6.597 1.533 ( -2.660 2.482 3.662) 5.162 1.591 ( -0.371 0.546 2.168) 2.266 1.620 ( -1.607 2.201 0.516) 2.774 1.758 ( 0.797 0.889 1.245) 1.725 1.780 ( 2.327 1.796 -3.003) 4.203 1.861 ( 3.238 -2.654 -0.461) 4.212 1.900 ( -2.555 -1.460 3.965) 4.938 2.073 ( 5.938 1.500 0.281) 6.131 2.096 ( 2.497 -0.354 2.886) 3.833 2.141 ( -0.679 0.058 -0.872) 1.106 2.217 ( -2.805 1.638 -4.780) 5.779 2.402 ( 0.028 -0.635 6.844) 6.873 2.410 ( 1.436 0.438 -2.651) 3.047 2.521 ( -0.559 0.955 4.240) 4.382 2.605 ( -3.366 0.320 -8.256) 8.922 4.815 ( 1.167 -0.531 0.165) 1.292 4.852 ( -1.845 -0.119 -0.198) 1.860 5.320 ( 4.437 0.242 -1.739) 4.772 5.400 ( -3.841 -0.015 2.702) 4.696 5.465 ( 3.474 0.648 -0.089) 3.535 5.565 ( -4.287 -0.270 -0.600) 4.337 5.670 ( 2.670 -0.955 -5.918) 6.562 5.690 ( -3.683 -0.254 5.453) 6.585 7.092 ( 1.626 0.415 -1.679) 2.374 7.119 ( -1.930 -0.029 1.289) 2.321 7.719 ( 0.837 0.055 0.420) 0.938 7.739 ( -0.840 -0.863 0.290) 1.239 12.859 ( 0.378 1.042 -3.282) 3.464 12.892 ( -3.079 -2.410 -0.261) 3.919 13.206 ( 3.124 2.267 1.495) 4.139 13.384 ( -12.974 -9.404 2.548) 16.225 17.407 ( 1.357 -0.811 2.104) 2.631 17.474 ( -1.872 -0.253 -3.922) 4.353 18.702 ( -2.693 -1.253 7.993) 8.527 18.744 ( -0.524 -1.520 -6.857) 7.043 19.057 ( 1.270 1.633 5.289) 5.679 19.128 ( -1.462 2.074 -1.947) 3.199 20.954 ( 1.252 0.281 -3.905) 4.111 20.970 ( -2.003 0.275 0.465) 2.075 45.343 ( 1.928 0.230 1.120) 2.242 45.397 ( -1.280 0.118 -2.250) 2.591 45.921 ( 4.998 1.455 4.674) 6.996 46.021 ( 0.297 0.822 -4.103) 4.195 98.918 ( 0.945 0.069 0.741) 1.203 98.959 ( -1.718 0.227 -1.259) 2.142 99.422 ( 0.923 -0.465 2.123) 2.361 99.465 ( -0.656 -0.587 -2.496) 2.647 99.669 ( 0.978 0.337 1.808) 2.083 99.697 ( 0.319 -0.729 -2.149) 2.292 100.443 ( 0.634 1.848 4.991) 5.360 100.481 ( 0.733 0.595 -3.734) 3.852======================= Grid point 228 (113/114) =======================q-point: ( 0.62 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( -6.221 3.023 -3.091) 7.576 1.358 ( 6.221 3.023 3.091) 7.576 1.467 ( 1.948 3.036 -3.564) 5.071 1.467 ( -1.948 3.036 3.564) 5.071 1.586 ( 0.446 0.692 -2.826) 2.943 1.586 ( -0.446 0.692 2.826) 2.943 1.752 ( 3.303 1.146 -4.068) 5.363 1.752 ( -3.303 1.146 4.068) 5.363 1.932 ( 1.098 -2.293 -2.759) 3.752 1.932 ( -1.098 -2.293 2.759) 3.752 2.082 ( -4.755 2.952 -1.823) 5.886 2.082 ( 4.755 2.952 1.823) 5.886 2.167 ( 2.175 -1.585 -3.988) 4.811 2.167 ( -2.175 -1.585 3.988) 4.811 2.403 ( 2.562 2.107 -5.433) 6.366 2.403 ( -2.562 2.107 5.433) 6.366 2.541 ( -0.587 -0.653 -9.218) 9.260 2.541 ( 0.587 -0.653 9.218) 9.260 4.840 ( -0.950 -0.627 -0.396) 1.205 4.840 ( 0.950 -0.627 0.396) 1.205 5.361 ( 4.378 0.081 -2.102) 4.857 5.361 ( -4.378 0.081 2.102) 4.857 5.515 ( -3.320 -0.666 -1.715) 3.796 5.515 ( 3.320 -0.666 1.715) 3.796 5.685 ( 2.907 -0.231 -6.949) 7.537 5.685 ( -2.907 -0.231 6.949) 7.537 7.102 ( 1.971 -0.061 -1.576) 2.525 7.102 ( -1.971 -0.061 1.576) 2.525 7.736 ( -0.063 -0.209 -1.800) 1.814 7.736 ( 0.063 -0.209 1.800) 1.814 12.881 ( -3.574 -0.443 -0.724) 3.673 12.881 ( 3.574 -0.443 0.724) 3.673 13.364 ( -12.195 -7.788 -2.961) 14.769 13.364 ( 12.195 -7.788 2.961) 14.769 17.450 ( -0.725 -1.012 -3.371) 3.594 17.450 ( 0.725 -1.012 3.371) 3.594 18.752 ( 2.339 -2.832 -8.914) 9.641 18.752 ( -2.339 -2.832 8.914) 9.641 19.053 ( -0.876 3.238 -4.040) 5.251 19.053 ( 0.876 3.238 4.040) 5.251 20.953 ( 1.572 0.070 -2.488) 2.944 20.953 ( -1.572 0.070 2.488) 2.944 45.369 ( -1.396 0.125 -1.501) 2.054 45.369 ( 1.396 0.125 1.501) 2.054 45.952 ( -3.228 2.805 -4.636) 6.308 45.952 ( 3.228 2.805 4.636) 6.308 98.934 ( -1.171 0.190 -0.857) 1.464 98.934 ( 1.171 0.190 0.857) 1.464 99.456 ( -0.605 -0.843 -3.044) 3.217 99.456 ( 0.605 -0.843 3.044) 3.217 99.689 ( -0.844 -0.180 -3.237) 3.350 99.689 ( 0.844 -0.180 3.237) 3.350 100.438 ( 3.006 2.134 -7.773) 8.603 100.438 ( -3.006 2.134 7.773) 8.603======================= Grid point 237 (114/114) =======================q-point: ( 0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -9.462 0.000 0.547) 9.478 1.387 ( 9.462 -0.000 -0.547) 9.478 1.515 ( 6.592 -0.000 -4.133) 7.780 1.515 ( -6.592 0.000 4.133) 7.780 1.618 ( -2.536 0.000 0.013) 2.536 1.618 ( 2.536 -0.000 -0.013) 2.536 1.803 ( -2.517 0.000 -1.170) 2.776 1.803 ( 2.517 -0.000 1.170) 2.776 1.854 ( 3.203 -0.000 -3.425) 4.689 1.854 ( -3.203 0.000 3.425) 4.689 2.112 ( 3.194 -0.000 -1.624) 3.583 2.112 ( -3.194 0.000 1.624) 3.583 2.179 ( -4.027 0.000 -2.351) 4.663 2.179 ( 4.027 -0.000 2.351) 4.663 2.413 ( 2.345 -0.000 -5.688) 6.152 2.413 ( -2.345 0.000 5.688) 6.152 2.553 ( 0.206 -0.000 -7.887) 7.889 2.553 ( -0.206 0.000 7.887) 7.889 4.829 ( -1.742 0.000 -0.267) 1.762 4.829 ( 1.742 -0.000 0.267) 1.762 5.363 ( 4.595 -0.000 -2.328) 5.152 5.363 ( -4.595 0.000 2.328) 5.152 5.515 ( -4.314 0.000 0.386) 4.331 5.515 ( 4.314 -0.000 -0.386) 4.331 5.670 ( 4.206 -0.000 -7.092) 8.246 5.670 ( -4.206 0.000 7.092) 8.246 7.107 ( 1.635 -0.000 -1.425) 2.169 7.107 ( -1.635 0.000 1.425) 2.169 7.726 ( 1.168 -0.000 -2.164) 2.459 7.726 ( -1.168 0.000 2.164) 2.459 12.849 ( -2.609 0.000 -3.169) 4.105 12.849 ( 2.609 -0.000 3.169) 4.105 13.246 ( -0.521 0.000 -0.172) 0.549 13.246 ( 0.521 -0.000 0.172) 0.549 17.432 ( -1.962 0.000 -3.025) 3.606 17.432 ( 1.962 -0.000 3.025) 3.606 18.702 ( 2.010 -0.000 -8.650) 8.880 18.702 ( -2.010 0.000 8.650) 8.880 19.112 ( -1.665 0.000 -4.281) 4.593 19.112 ( 1.665 -0.000 4.281) 4.593 20.958 ( 1.797 -0.000 -2.693) 3.238 20.958 ( -1.797 0.000 2.693) 3.238 45.371 ( -1.460 0.000 -2.139) 2.590 45.371 ( 1.460 -0.000 2.139) 2.590 45.999 ( -2.366 0.000 -4.625) 5.195 45.999 ( 2.366 -0.000 4.625) 5.195 98.936 ( -1.373 0.000 -1.200) 1.824 98.936 ( 1.373 -0.000 1.200) 1.824 99.440 ( -0.983 0.000 -2.307) 2.508 99.440 ( 0.983 -0.000 2.307) 2.508 99.685 ( -0.264 0.000 -1.314) 1.341 99.685 ( 0.264 -0.000 1.314) 1.341 100.478 ( 3.257 -0.000 -10.072) 10.585 100.478 ( -3.257 0.000 10.072) 10.585=================== 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 3/20736 10.0 29.288 32.208 35.410 0.000 -1.202 -0.000 3/20736 20.0 8.621 7.807 9.748 0.000 -0.814 -0.000 3/20736 30.0 5.284 4.482 5.895 0.000 -0.509 -0.000 3/20736 40.0 3.921 3.239 4.357 0.000 -0.368 -0.000 3/20736 50.0 3.120 2.539 3.462 0.000 -0.290 -0.000 3/20736 60.0 2.578 2.077 2.857 0.000 -0.240 -0.000 3/20736 70.0 2.188 1.749 2.422 0.000 -0.205 -0.000 3/20736 80.0 1.896 1.507 2.096 0.000 -0.179 -0.000 3/20736 90.0 1.672 1.322 1.845 0.000 -0.159 -0.000 3/20736 100.0 1.496 1.177 1.646 0.000 -0.142 -0.000 3/20736 110.0 1.354 1.061 1.485 0.000 -0.129 -0.000 3/20736 120.0 1.237 0.966 1.353 0.000 -0.117 -0.000 3/20736 130.0 1.140 0.887 1.242 0.000 -0.108 -0.000 3/20736 140.0 1.057 0.820 1.148 0.000 -0.099 -0.000 3/20736 150.0 0.986 0.762 1.068 0.000 -0.092 -0.000 3/20736 160.0 0.924 0.713 0.997 0.000 -0.086 -0.000 3/20736 170.0 0.870 0.669 0.936 0.000 -0.080 -0.000 3/20736 180.0 0.822 0.631 0.882 0.000 -0.076 -0.000 3/20736 190.0 0.779 0.597 0.834 0.000 -0.071 -0.000 3/20736 200.0 0.741 0.566 0.791 0.000 -0.067 -0.000 3/20736 210.0 0.706 0.538 0.752 0.000 -0.064 -0.000 3/20736 220.0 0.674 0.513 0.716 0.000 -0.061 -0.000 3/20736 230.0 0.645 0.491 0.684 0.000 -0.058 -0.000 3/20736 240.0 0.619 0.470 0.655 0.000 -0.055 -0.000 3/20736 250.0 0.594 0.451 0.628 0.000 -0.053 -0.000 3/20736 260.0 0.572 0.433 0.604 0.000 -0.051 -0.000 3/20736 270.0 0.551 0.417 0.581 0.000 -0.049 -0.000 3/20736 280.0 0.532 0.402 0.560 0.000 -0.047 -0.000 3/20736 290.0 0.514 0.388 0.540 0.000 -0.045 -0.000 3/20736 300.0 0.497 0.375 0.522 0.000 -0.043 -0.000 3/20736 310.0 0.482 0.363 0.505 0.000 -0.042 -0.000 3/20736 320.0 0.467 0.352 0.489 0.000 -0.041 -0.000 3/20736 330.0 0.453 0.341 0.474 0.000 -0.039 -0.000 3/20736 340.0 0.440 0.331 0.460 0.000 -0.038 -0.000 3/20736 350.0 0.428 0.322 0.447 0.000 -0.037 -0.000 3/20736 360.0 0.417 0.313 0.434 0.000 -0.036 -0.000 3/20736 370.0 0.406 0.304 0.423 0.000 -0.035 -0.000 3/20736 380.0 0.396 0.296 0.411 0.000 -0.034 -0.000 3/20736 390.0 0.386 0.289 0.401 0.000 -0.033 -0.000 3/20736 400.0 0.377 0.282 0.391 0.000 -0.032 -0.000 3/20736 410.0 0.368 0.275 0.381 0.000 -0.031 -0.000 3/20736 420.0 0.360 0.269 0.372 0.000 -0.030 -0.000 3/20736 430.0 0.352 0.263 0.364 0.000 -0.029 -0.000 3/20736 440.0 0.344 0.257 0.356 0.000 -0.028 -0.000 3/20736 450.0 0.337 0.251 0.348 0.000 -0.028 -0.000 3/20736 460.0 0.330 0.246 0.340 0.000 -0.027 -0.000 3/20736 470.0 0.323 0.241 0.333 0.000 -0.026 -0.000 3/20736 480.0 0.317 0.236 0.326 0.000 -0.026 -0.000 3/20736 490.0 0.311 0.231 0.320 0.000 -0.025 -0.000 3/20736 500.0 0.305 0.227 0.314 0.000 -0.024 -0.000 3/20736 510.0 0.300 0.223 0.308 0.000 -0.024 -0.000 3/20736 520.0 0.294 0.219 0.302 0.000 -0.023 -0.000 3/20736 530.0 0.289 0.215 0.296 0.000 -0.023 -0.000 3/20736 540.0 0.284 0.211 0.291 0.000 -0.022 -0.000 3/20736 550.0 0.280 0.207 0.286 0.000 -0.022 -0.000 3/20736 560.0 0.275 0.204 0.281 0.000 -0.021 -0.000 3/20736 570.0 0.271 0.200 0.276 0.000 -0.021 -0.000 3/20736 580.0 0.267 0.197 0.271 0.000 -0.020 -0.000 3/20736 590.0 0.262 0.194 0.267 0.000 -0.020 -0.000 3/20736 600.0 0.258 0.191 0.262 0.000 -0.019 -0.000 3/20736 610.0 0.255 0.188 0.258 0.000 -0.019 -0.000 3/20736 620.0 0.251 0.185 0.254 0.000 -0.018 -0.000 3/20736 630.0 0.247 0.182 0.250 0.000 -0.018 -0.000 3/20736 640.0 0.244 0.180 0.247 0.000 -0.018 -0.000 3/20736 650.0 0.241 0.177 0.243 0.000 -0.017 -0.000 3/20736 660.0 0.237 0.175 0.239 0.000 -0.017 -0.000 3/20736 670.0 0.234 0.172 0.236 0.000 -0.017 -0.000 3/20736 680.0 0.231 0.170 0.233 0.000 -0.016 -0.000 3/20736 690.0 0.228 0.168 0.229 0.000 -0.016 -0.000 3/20736 700.0 0.225 0.165 0.226 0.000 -0.016 -0.000 3/20736 710.0 0.222 0.163 0.223 0.000 -0.015 -0.000 3/20736 720.0 0.220 0.161 0.220 0.000 -0.015 -0.000 3/20736 730.0 0.217 0.159 0.217 0.000 -0.015 -0.000 3/20736 740.0 0.214 0.157 0.214 0.000 -0.014 -0.000 3/20736 750.0 0.212 0.155 0.212 0.000 -0.014 -0.000 3/20736 760.0 0.210 0.153 0.209 0.000 -0.014 -0.000 3/20736 770.0 0.207 0.151 0.206 0.000 -0.014 -0.000 3/20736 780.0 0.205 0.150 0.204 0.000 -0.013 -0.000 3/20736 790.0 0.203 0.148 0.201 0.000 -0.013 -0.000 3/20736 800.0 0.200 0.146 0.199 0.000 -0.013 -0.000 3/20736 810.0 0.198 0.145 0.197 0.000 -0.013 -0.000 3/20736 820.0 0.196 0.143 0.194 0.000 -0.012 -0.000 3/20736 830.0 0.194 0.141 0.192 0.000 -0.012 -0.000 3/20736 840.0 0.192 0.140 0.190 0.000 -0.012 -0.000 3/20736 850.0 0.190 0.138 0.188 0.000 -0.012 -0.000 3/20736 860.0 0.188 0.137 0.186 0.000 -0.011 -0.000 3/20736 870.0 0.186 0.135 0.184 0.000 -0.011 -0.000 3/20736 880.0 0.185 0.134 0.182 0.000 -0.011 -0.000 3/20736 890.0 0.183 0.133 0.180 0.000 -0.011 -0.000 3/20736 900.0 0.181 0.131 0.178 0.000 -0.011 -0.000 3/20736 910.0 0.179 0.130 0.176 0.000 -0.010 -0.000 3/20736 920.0 0.178 0.129 0.174 0.000 -0.010 -0.000 3/20736 930.0 0.176 0.128 0.172 0.000 -0.010 -0.000 3/20736 940.0 0.174 0.126 0.171 0.000 -0.010 -0.000 3/20736 950.0 0.173 0.125 0.169 0.000 -0.010 -0.000 3/20736 960.0 0.171 0.124 0.167 0.000 -0.010 -0.000 3/20736 970.0 0.170 0.123 0.166 0.000 -0.009 -0.000 3/20736 980.0 0.168 0.122 0.164 0.000 -0.009 -0.000 3/20736 990.0 0.167 0.121 0.163 0.000 -0.009 -0.000 3/20736 1000.0 0.165 0.119 0.161 0.000 -0.009 -0.000 3/20736Thermal conductivity related properties were written into "kappa-m886.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:47:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|