----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:08:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 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 5.964872975059311 -3.192692150000000 0.000000000000000 b 5.964872975059311 3.192692150000000 0.000000000000000 c -5.018546142904186 0.000000000000000 9.702369480007659 Atomic positions (fractional): *1 Na 0.72736694801873 0.54555769116702 0.45211304575606 22.990 2 Na 0.45444230883298 0.27263305198127 0.04788695424394 22.990 3 Na 0.27263305198127 0.45444230883298 0.54788695424394 22.990 4 Na 0.54555769116702 0.72736694801873 0.95211304575606 22.990 *5 Na 0.96882359821929 0.32018225553994 0.14423187689698 22.990 6 Na 0.67981774446006 0.03117640178071 0.35576812310302 22.990 7 Na 0.03117640178071 0.67981774446006 0.85576812310302 22.990 8 Na 0.32018225553994 0.96882359821929 0.64423187689698 22.990 *9 Si 0.95119202854167 0.85737524776218 0.14114740282757 28.085 10 Si 0.14262475223782 0.04880797145833 0.35885259717243 28.085 11 Si 0.04880797145833 0.14262475223782 0.85885259717243 28.085 12 Si 0.85737524776218 0.95119202854167 0.64114740282757 28.085 *13 Si 0.23978317673000 0.62819840497029 0.31103566714309 28.085 14 Si 0.37180159502971 0.76021682327000 0.18896433285691 28.085 15 Si 0.76021682327000 0.37180159502971 0.68896433285691 28.085 16 Si 0.62819840497029 0.23978317673000 0.81103566714309 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.929745950118622 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385384300000000 0.000000000000000 c -5.018546142904186 0.000000000000000 9.702369480007659 Atomic positions (fractional): *1 Na 0.13646231959287 0.40909537157414 0.45211304575606 22.990 > 1 2 Na 0.86353768040713 0.40909537157414 0.04788695424394 22.990 > 2 3 Na 0.86353768040713 0.59090462842586 0.54788695424394 22.990 > 3 4 Na 0.13646231959287 0.59090462842586 0.95211304575606 22.990 > 4 *5 Na 0.64450292687961 0.67567932866033 0.14423187689698 22.990 > 5 6 Na 0.85549707312039 0.17567932866033 0.35576812310302 22.990 > 6 7 Na 0.35549707312039 0.32432067133967 0.85576812310302 22.990 > 7 8 Na 0.14450292687961 0.82432067133967 0.64423187689698 22.990 > 8 9 Na 0.63646231959287 0.90909537157414 0.45211304575606 22.990 > 1 10 Na 0.36353768040713 0.90909537157414 0.04788695424394 22.990 > 2 11 Na 0.36353768040713 0.09090462842586 0.54788695424394 22.990 > 3 12 Na 0.63646231959287 0.09090462842586 0.95211304575606 22.990 > 4 13 Na 0.14450292687961 0.17567932866033 0.14423187689698 22.990 > 5 14 Na 0.35549707312039 0.67567932866033 0.35576812310302 22.990 > 6 15 Na 0.85549707312039 0.82432067133967 0.85576812310302 22.990 > 7 16 Na 0.64450292687961 0.32432067133967 0.64423187689698 22.990 > 8 *17 Si 0.90428363815193 0.95309160961026 0.14114740282757 28.085 > 9 18 Si 0.09571636184807 0.95309160961026 0.35885259717243 28.085 > 10 19 Si 0.09571636184807 0.04690839038974 0.85885259717243 28.085 > 11 20 Si 0.90428363815193 0.04690839038974 0.64114740282757 28.085 > 12 *21 Si 0.93399079085014 0.69420761412015 0.31103566714309 28.085 > 13 22 Si 0.06600920914986 0.69420761412015 0.18896433285691 28.085 > 14 23 Si 0.06600920914986 0.30579238587985 0.68896433285691 28.085 > 15 24 Si 0.93399079085014 0.30579238587985 0.81103566714309 28.085 > 16 25 Si 0.40428363815193 0.45309160961026 0.14114740282757 28.085 > 9 26 Si 0.59571636184807 0.45309160961026 0.35885259717243 28.085 > 10 27 Si 0.59571636184807 0.54690839038974 0.85885259717243 28.085 > 11 28 Si 0.40428363815193 0.54690839038974 0.64114740282757 28.085 > 12 29 Si 0.43399079085014 0.19420761412015 0.31103566714309 28.085 > 13 30 Si 0.56600920914986 0.19420761412015 0.18896433285691 28.085 > 14 31 Si 0.56600920914986 0.80579238587985 0.68896433285691 28.085 > 15 32 Si 0.43399079085014 0.80579238587985 0.81103566714309 28.085 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.929745950118622 0.000000000000000 0.000000000000000 b 0.000000000000000 12.770768600000000 0.000000000000000 c -10.037092285808372 0.000000000000000 19.404738960015319 Atomic positions (fractional): *1 Na 0.13646231959287 0.20454768578707 0.22605652287803 22.990 > 1 2 Na 0.13646231959287 0.70454768578707 0.22605652287803 22.990 > 1 3 Na 0.13646231959287 0.20454768578707 0.72605652287803 22.990 > 1 4 Na 0.13646231959287 0.70454768578707 0.72605652287803 22.990 > 1 5 Na 0.86353768040713 0.20454768578707 0.02394347712197 22.990 > 2 6 Na 0.86353768040713 0.70454768578707 0.02394347712197 22.990 > 2 7 Na 0.86353768040713 0.20454768578707 0.52394347712197 22.990 > 2 8 Na 0.86353768040713 0.70454768578707 0.52394347712197 22.990 > 2 9 Na 0.86353768040713 0.29545231421293 0.27394347712197 22.990 > 3 10 Na 0.86353768040713 0.79545231421293 0.27394347712197 22.990 > 3 11 Na 0.86353768040713 0.29545231421293 0.77394347712197 22.990 > 3 12 Na 0.86353768040713 0.79545231421293 0.77394347712197 22.990 > 3 13 Na 0.13646231959287 0.29545231421293 0.47605652287803 22.990 > 4 14 Na 0.13646231959287 0.79545231421293 0.47605652287803 22.990 > 4 15 Na 0.13646231959287 0.29545231421293 0.97605652287803 22.990 > 4 16 Na 0.13646231959287 0.79545231421293 0.97605652287803 22.990 > 4 *17 Na 0.64450292687961 0.33783966433016 0.07211593844849 22.990 > 5 18 Na 0.64450292687961 0.83783966433016 0.07211593844849 22.990 > 5 19 Na 0.64450292687961 0.33783966433016 0.57211593844849 22.990 > 5 20 Na 0.64450292687961 0.83783966433016 0.57211593844849 22.990 > 5 21 Na 0.85549707312039 0.08783966433016 0.17788406155151 22.990 > 6 22 Na 0.85549707312039 0.58783966433016 0.17788406155151 22.990 > 6 23 Na 0.85549707312039 0.08783966433016 0.67788406155151 22.990 > 6 24 Na 0.85549707312039 0.58783966433016 0.67788406155151 22.990 > 6 25 Na 0.35549707312039 0.16216033566984 0.42788406155151 22.990 > 7 26 Na 0.35549707312039 0.66216033566984 0.42788406155151 22.990 > 7 27 Na 0.35549707312039 0.16216033566984 0.92788406155151 22.990 > 7 28 Na 0.35549707312039 0.66216033566984 0.92788406155151 22.990 > 7 29 Na 0.14450292687961 0.41216033566984 0.32211593844849 22.990 > 8 30 Na 0.14450292687961 0.91216033566984 0.32211593844849 22.990 > 8 31 Na 0.14450292687961 0.41216033566984 0.82211593844849 22.990 > 8 32 Na 0.14450292687961 0.91216033566984 0.82211593844849 22.990 > 8 33 Na 0.63646231959287 0.45454768578707 0.22605652287803 22.990 > 1 34 Na 0.63646231959287 0.95454768578707 0.22605652287803 22.990 > 1 35 Na 0.63646231959287 0.45454768578707 0.72605652287803 22.990 > 1 36 Na 0.63646231959287 0.95454768578707 0.72605652287803 22.990 > 1 37 Na 0.36353768040713 0.45454768578707 0.02394347712197 22.990 > 2 38 Na 0.36353768040713 0.95454768578707 0.02394347712197 22.990 > 2 39 Na 0.36353768040713 0.45454768578707 0.52394347712197 22.990 > 2 40 Na 0.36353768040713 0.95454768578707 0.52394347712197 22.990 > 2 41 Na 0.36353768040713 0.04545231421293 0.27394347712197 22.990 > 3 42 Na 0.36353768040713 0.54545231421293 0.27394347712197 22.990 > 3 43 Na 0.36353768040713 0.04545231421293 0.77394347712197 22.990 > 3 44 Na 0.36353768040713 0.54545231421293 0.77394347712197 22.990 > 3 45 Na 0.63646231959287 0.04545231421293 0.47605652287803 22.990 > 4 46 Na 0.63646231959287 0.54545231421293 0.47605652287803 22.990 > 4 47 Na 0.63646231959287 0.04545231421293 0.97605652287803 22.990 > 4 48 Na 0.63646231959287 0.54545231421293 0.97605652287803 22.990 > 4 49 Na 0.14450292687961 0.08783966433016 0.07211593844849 22.990 > 5 50 Na 0.14450292687961 0.58783966433016 0.07211593844849 22.990 > 5 51 Na 0.14450292687961 0.08783966433016 0.57211593844849 22.990 > 5 52 Na 0.14450292687961 0.58783966433016 0.57211593844849 22.990 > 5 53 Na 0.35549707312039 0.33783966433016 0.17788406155151 22.990 > 6 54 Na 0.35549707312039 0.83783966433016 0.17788406155151 22.990 > 6 55 Na 0.35549707312039 0.33783966433016 0.67788406155151 22.990 > 6 56 Na 0.35549707312039 0.83783966433016 0.67788406155151 22.990 > 6 57 Na 0.85549707312039 0.41216033566984 0.42788406155151 22.990 > 7 58 Na 0.85549707312039 0.91216033566984 0.42788406155151 22.990 > 7 59 Na 0.85549707312039 0.41216033566984 0.92788406155151 22.990 > 7 60 Na 0.85549707312039 0.91216033566984 0.92788406155151 22.990 > 7 61 Na 0.64450292687961 0.16216033566984 0.32211593844849 22.990 > 8 62 Na 0.64450292687961 0.66216033566984 0.32211593844849 22.990 > 8 63 Na 0.64450292687961 0.16216033566984 0.82211593844849 22.990 > 8 64 Na 0.64450292687961 0.66216033566984 0.82211593844849 22.990 > 8 *65 Si 0.90428363815193 0.47654580480513 0.07057370141378 28.085 > 9 66 Si 0.90428363815193 0.97654580480513 0.07057370141378 28.085 > 9 67 Si 0.90428363815193 0.47654580480513 0.57057370141378 28.085 > 9 68 Si 0.90428363815193 0.97654580480513 0.57057370141378 28.085 > 9 69 Si 0.09571636184807 0.47654580480513 0.17942629858622 28.085 > 10 70 Si 0.09571636184807 0.97654580480513 0.17942629858622 28.085 > 10 71 Si 0.09571636184807 0.47654580480513 0.67942629858622 28.085 > 10 72 Si 0.09571636184807 0.97654580480513 0.67942629858622 28.085 > 10 73 Si 0.09571636184807 0.02345419519487 0.42942629858622 28.085 > 11 74 Si 0.09571636184807 0.52345419519487 0.42942629858622 28.085 > 11 75 Si 0.09571636184807 0.02345419519487 0.92942629858622 28.085 > 11 76 Si 0.09571636184807 0.52345419519487 0.92942629858622 28.085 > 11 77 Si 0.90428363815193 0.02345419519487 0.32057370141378 28.085 > 12 78 Si 0.90428363815193 0.52345419519487 0.32057370141378 28.085 > 12 79 Si 0.90428363815193 0.02345419519487 0.82057370141378 28.085 > 12 80 Si 0.90428363815193 0.52345419519487 0.82057370141378 28.085 > 12 *81 Si 0.93399079085014 0.34710380706007 0.15551783357154 28.085 > 13 82 Si 0.93399079085014 0.84710380706007 0.15551783357154 28.085 > 13 83 Si 0.93399079085014 0.34710380706007 0.65551783357154 28.085 > 13 84 Si 0.93399079085014 0.84710380706007 0.65551783357154 28.085 > 13 85 Si 0.06600920914986 0.34710380706007 0.09448216642846 28.085 > 14 86 Si 0.06600920914986 0.84710380706007 0.09448216642846 28.085 > 14 87 Si 0.06600920914986 0.34710380706007 0.59448216642846 28.085 > 14 88 Si 0.06600920914986 0.84710380706007 0.59448216642846 28.085 > 14 89 Si 0.06600920914986 0.15289619293993 0.34448216642846 28.085 > 15 90 Si 0.06600920914986 0.65289619293993 0.34448216642846 28.085 > 15 91 Si 0.06600920914986 0.15289619293993 0.84448216642846 28.085 > 15 92 Si 0.06600920914986 0.65289619293993 0.84448216642846 28.085 > 15 93 Si 0.93399079085014 0.15289619293993 0.40551783357154 28.085 > 16 94 Si 0.93399079085014 0.65289619293993 0.40551783357154 28.085 > 16 95 Si 0.93399079085014 0.15289619293993 0.90551783357154 28.085 > 16 96 Si 0.93399079085014 0.65289619293993 0.90551783357154 28.085 > 16 97 Si 0.40428363815193 0.22654580480513 0.07057370141378 28.085 > 9 98 Si 0.40428363815193 0.72654580480513 0.07057370141378 28.085 > 9 99 Si 0.40428363815193 0.22654580480513 0.57057370141378 28.085 > 9 100 Si 0.40428363815193 0.72654580480513 0.57057370141378 28.085 > 9 101 Si 0.59571636184807 0.22654580480513 0.17942629858622 28.085 > 10 102 Si 0.59571636184807 0.72654580480513 0.17942629858622 28.085 > 10 103 Si 0.59571636184807 0.22654580480513 0.67942629858622 28.085 > 10 104 Si 0.59571636184807 0.72654580480513 0.67942629858622 28.085 > 10 105 Si 0.59571636184807 0.27345419519487 0.42942629858622 28.085 > 11 106 Si 0.59571636184807 0.77345419519487 0.42942629858622 28.085 > 11 107 Si 0.59571636184807 0.27345419519487 0.92942629858622 28.085 > 11 108 Si 0.59571636184807 0.77345419519487 0.92942629858622 28.085 > 11 109 Si 0.40428363815193 0.27345419519487 0.32057370141378 28.085 > 12 110 Si 0.40428363815193 0.77345419519487 0.32057370141378 28.085 > 12 111 Si 0.40428363815193 0.27345419519487 0.82057370141378 28.085 > 12 112 Si 0.40428363815193 0.77345419519487 0.82057370141378 28.085 > 12 113 Si 0.43399079085014 0.09710380706007 0.15551783357154 28.085 > 13 114 Si 0.43399079085014 0.59710380706007 0.15551783357154 28.085 > 13 115 Si 0.43399079085014 0.09710380706007 0.65551783357154 28.085 > 13 116 Si 0.43399079085014 0.59710380706007 0.65551783357154 28.085 > 13 117 Si 0.56600920914986 0.09710380706007 0.09448216642846 28.085 > 14 118 Si 0.56600920914986 0.59710380706007 0.09448216642846 28.085 > 14 119 Si 0.56600920914986 0.09710380706007 0.59448216642846 28.085 > 14 120 Si 0.56600920914986 0.59710380706007 0.59448216642846 28.085 > 14 121 Si 0.56600920914986 0.40289619293993 0.34448216642846 28.085 > 15 122 Si 0.56600920914986 0.90289619293993 0.34448216642846 28.085 > 15 123 Si 0.56600920914986 0.40289619293993 0.84448216642846 28.085 > 15 124 Si 0.56600920914986 0.90289619293993 0.84448216642846 28.085 > 15 125 Si 0.43399079085014 0.40289619293993 0.40551783357154 28.085 > 16 126 Si 0.43399079085014 0.90289619293993 0.40551783357154 28.085 > 16 127 Si 0.43399079085014 0.40289619293993 0.90551783357154 28.085 > 16 128 Si 0.43399079085014 0.90289619293993 0.90551783357154 28.085 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8283778 0.0000000 -0.4900293 0.0000000 10.2717937 0.0000000 -0.4899388 0.0000000 9.9599860 -------------------------- Born effective charges -------------------------- 1 Na 1.0409353 0.1967545 0.0443627 0.2469471 1.4593384 -0.1619984 0.1245250 0.0296833 1.3011692 2 Na 1.0409353 -0.1967545 0.0443627 -0.2469471 1.4593384 0.1619984 0.1245250 -0.0296833 1.3011692 3 Na 1.0409353 0.1967545 0.0443627 0.2469471 1.4593384 -0.1619984 0.1245250 0.0296833 1.3011692 4 Na 1.0409353 -0.1967545 0.0443627 -0.2469471 1.4593384 0.1619984 0.1245250 -0.0296833 1.3011692 5 Na 1.3502677 0.2723117 -0.0474029 0.3806842 1.1308771 0.0019664 -0.1571332 0.0653297 1.1086843 6 Na 1.3502677 -0.2723117 -0.0474029 -0.3806842 1.1308771 -0.0019664 -0.1571332 -0.0653297 1.1086843 7 Na 1.3502677 0.2723117 -0.0474029 0.3806842 1.1308771 0.0019664 -0.1571332 0.0653297 1.1086843 8 Na 1.3502677 -0.2723117 -0.0474029 -0.3806842 1.1308771 -0.0019664 -0.1571332 -0.0653297 1.1086843 9 Si -0.9907451 0.4298058 -0.4710995 0.4490181 -1.3342133 0.6659078 -0.5080713 0.7046151 -1.3451074 10 Si -0.9907451 -0.4298058 -0.4710995 -0.4490181 -1.3342133 -0.6659078 -0.5080713 -0.7046151 -1.3451074 11 Si -0.9907451 0.4298058 -0.4710995 0.4490181 -1.3342133 0.6659078 -0.5080713 0.7046151 -1.3451074 12 Si -0.9907451 -0.4298058 -0.4710995 -0.4490181 -1.3342133 -0.6659078 -0.5080713 -0.7046151 -1.3451074 13 Si -1.4004579 -0.6023136 0.4741397 -0.6011372 -1.2560021 0.2901307 0.5406795 0.4455288 -1.0647461 14 Si -1.4004579 0.6023136 0.4741397 0.6011372 -1.2560021 -0.2901307 0.5406795 -0.4455288 -1.0647461 15 Si -1.4004579 -0.6023136 0.4741397 -0.6011372 -1.2560021 0.2901307 0.5406795 0.4455288 -1.0647461 16 Si -1.4004579 0.6023136 0.4741397 0.6011372 -1.2560021 -0.2901307 0.5406795 -0.4455288 -1.0647461 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 11712/11712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.836 Solver_block: 200 / 480 - Time: 0.795 Solver_block: 300 / 480 - Time: 0.793 Solver_block: 400 / 480 - Time: 0.790 Solver_block: 480 / 480 - Time: 0.659 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.966 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 11712/11712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:09:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:09:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 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 5.964872975059311 -3.192692150000000 0.000000000000000 b 5.964872975059311 3.192692150000000 0.000000000000000 c -5.018546142904186 0.000000000000000 9.702369480007659 Atomic positions (fractional): 1 Na 0.72736694801873 0.54555769116702 0.45211304575606 22.990 2 Na 0.45444230883298 0.27263305198127 0.04788695424394 22.990 3 Na 0.27263305198127 0.45444230883298 0.54788695424394 22.990 4 Na 0.54555769116702 0.72736694801873 0.95211304575606 22.990 5 Na 0.96882359821929 0.32018225553994 0.14423187689698 22.990 6 Na 0.67981774446006 0.03117640178071 0.35576812310302 22.990 7 Na 0.03117640178071 0.67981774446006 0.85576812310302 22.990 8 Na 0.32018225553994 0.96882359821929 0.64423187689698 22.990 9 Si 0.95119202854167 0.85737524776218 0.14114740282757 28.085 10 Si 0.14262475223782 0.04880797145833 0.35885259717243 28.085 11 Si 0.04880797145833 0.14262475223782 0.85885259717243 28.085 12 Si 0.85737524776218 0.95119202854167 0.64114740282757 28.085 13 Si 0.23978317673000 0.62819840497029 0.31103566714309 28.085 14 Si 0.37180159502971 0.76021682327000 0.18896433285691 28.085 15 Si 0.76021682327000 0.37180159502971 0.68896433285691 28.085 16 Si 0.62819840497029 0.23978317673000 0.81103566714309 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.929745950118622 0.000000000000000 0.000000000000000 b 0.000000000000000 12.770768600000000 0.000000000000000 c -10.037092285808372 0.000000000000000 19.404738960015319 Atomic positions (fractional): 1 Na 0.13646231959287 0.20454768578707 0.22605652287803 22.990 > 1 2 Na 0.13646231959287 0.70454768578707 0.22605652287803 22.990 > 1 3 Na 0.13646231959287 0.20454768578707 0.72605652287803 22.990 > 1 4 Na 0.13646231959287 0.70454768578707 0.72605652287803 22.990 > 1 5 Na 0.86353768040713 0.20454768578707 0.02394347712197 22.990 > 5 6 Na 0.86353768040713 0.70454768578707 0.02394347712197 22.990 > 5 7 Na 0.86353768040713 0.20454768578707 0.52394347712197 22.990 > 5 8 Na 0.86353768040713 0.70454768578707 0.52394347712197 22.990 > 5 9 Na 0.86353768040713 0.29545231421293 0.27394347712197 22.990 > 9 10 Na 0.86353768040713 0.79545231421293 0.27394347712197 22.990 > 9 11 Na 0.86353768040713 0.29545231421293 0.77394347712197 22.990 > 9 12 Na 0.86353768040713 0.79545231421293 0.77394347712197 22.990 > 9 13 Na 0.13646231959287 0.29545231421293 0.47605652287803 22.990 > 13 14 Na 0.13646231959287 0.79545231421293 0.47605652287803 22.990 > 13 15 Na 0.13646231959287 0.29545231421293 0.97605652287803 22.990 > 13 16 Na 0.13646231959287 0.79545231421293 0.97605652287803 22.990 > 13 17 Na 0.64450292687961 0.33783966433016 0.07211593844849 22.990 > 17 18 Na 0.64450292687961 0.83783966433016 0.07211593844849 22.990 > 17 19 Na 0.64450292687961 0.33783966433016 0.57211593844849 22.990 > 17 20 Na 0.64450292687961 0.83783966433016 0.57211593844849 22.990 > 17 21 Na 0.85549707312039 0.08783966433016 0.17788406155151 22.990 > 21 22 Na 0.85549707312039 0.58783966433016 0.17788406155151 22.990 > 21 23 Na 0.85549707312039 0.08783966433016 0.67788406155151 22.990 > 21 24 Na 0.85549707312039 0.58783966433016 0.67788406155151 22.990 > 21 25 Na 0.35549707312039 0.16216033566984 0.42788406155151 22.990 > 25 26 Na 0.35549707312039 0.66216033566984 0.42788406155151 22.990 > 25 27 Na 0.35549707312039 0.16216033566984 0.92788406155151 22.990 > 25 28 Na 0.35549707312039 0.66216033566984 0.92788406155151 22.990 > 25 29 Na 0.14450292687961 0.41216033566984 0.32211593844849 22.990 > 29 30 Na 0.14450292687961 0.91216033566984 0.32211593844849 22.990 > 29 31 Na 0.14450292687961 0.41216033566984 0.82211593844849 22.990 > 29 32 Na 0.14450292687961 0.91216033566984 0.82211593844849 22.990 > 29 33 Na 0.63646231959287 0.45454768578707 0.22605652287803 22.990 > 1 34 Na 0.63646231959287 0.95454768578707 0.22605652287803 22.990 > 1 35 Na 0.63646231959287 0.45454768578707 0.72605652287803 22.990 > 1 36 Na 0.63646231959287 0.95454768578707 0.72605652287803 22.990 > 1 37 Na 0.36353768040713 0.45454768578707 0.02394347712197 22.990 > 5 38 Na 0.36353768040713 0.95454768578707 0.02394347712197 22.990 > 5 39 Na 0.36353768040713 0.45454768578707 0.52394347712197 22.990 > 5 40 Na 0.36353768040713 0.95454768578707 0.52394347712197 22.990 > 5 41 Na 0.36353768040713 0.04545231421293 0.27394347712197 22.990 > 9 42 Na 0.36353768040713 0.54545231421293 0.27394347712197 22.990 > 9 43 Na 0.36353768040713 0.04545231421293 0.77394347712197 22.990 > 9 44 Na 0.36353768040713 0.54545231421293 0.77394347712197 22.990 > 9 45 Na 0.63646231959287 0.04545231421293 0.47605652287803 22.990 > 13 46 Na 0.63646231959287 0.54545231421293 0.47605652287803 22.990 > 13 47 Na 0.63646231959287 0.04545231421293 0.97605652287803 22.990 > 13 48 Na 0.63646231959287 0.54545231421293 0.97605652287803 22.990 > 13 49 Na 0.14450292687961 0.08783966433016 0.07211593844849 22.990 > 17 50 Na 0.14450292687961 0.58783966433016 0.07211593844849 22.990 > 17 51 Na 0.14450292687961 0.08783966433016 0.57211593844849 22.990 > 17 52 Na 0.14450292687961 0.58783966433016 0.57211593844849 22.990 > 17 53 Na 0.35549707312039 0.33783966433016 0.17788406155151 22.990 > 21 54 Na 0.35549707312039 0.83783966433016 0.17788406155151 22.990 > 21 55 Na 0.35549707312039 0.33783966433016 0.67788406155151 22.990 > 21 56 Na 0.35549707312039 0.83783966433016 0.67788406155151 22.990 > 21 57 Na 0.85549707312039 0.41216033566984 0.42788406155151 22.990 > 25 58 Na 0.85549707312039 0.91216033566984 0.42788406155151 22.990 > 25 59 Na 0.85549707312039 0.41216033566984 0.92788406155151 22.990 > 25 60 Na 0.85549707312039 0.91216033566984 0.92788406155151 22.990 > 25 61 Na 0.64450292687961 0.16216033566984 0.32211593844849 22.990 > 29 62 Na 0.64450292687961 0.66216033566984 0.32211593844849 22.990 > 29 63 Na 0.64450292687961 0.16216033566984 0.82211593844849 22.990 > 29 64 Na 0.64450292687961 0.66216033566984 0.82211593844849 22.990 > 29 65 Si 0.90428363815193 0.47654580480513 0.07057370141378 28.085 > 65 66 Si 0.90428363815193 0.97654580480513 0.07057370141378 28.085 > 65 67 Si 0.90428363815193 0.47654580480513 0.57057370141378 28.085 > 65 68 Si 0.90428363815193 0.97654580480513 0.57057370141378 28.085 > 65 69 Si 0.09571636184807 0.47654580480513 0.17942629858622 28.085 > 69 70 Si 0.09571636184807 0.97654580480513 0.17942629858622 28.085 > 69 71 Si 0.09571636184807 0.47654580480513 0.67942629858622 28.085 > 69 72 Si 0.09571636184807 0.97654580480513 0.67942629858622 28.085 > 69 73 Si 0.09571636184807 0.02345419519487 0.42942629858622 28.085 > 73 74 Si 0.09571636184807 0.52345419519487 0.42942629858622 28.085 > 73 75 Si 0.09571636184807 0.02345419519487 0.92942629858622 28.085 > 73 76 Si 0.09571636184807 0.52345419519487 0.92942629858622 28.085 > 73 77 Si 0.90428363815193 0.02345419519487 0.32057370141378 28.085 > 77 78 Si 0.90428363815193 0.52345419519487 0.32057370141378 28.085 > 77 79 Si 0.90428363815193 0.02345419519487 0.82057370141378 28.085 > 77 80 Si 0.90428363815193 0.52345419519487 0.82057370141378 28.085 > 77 81 Si 0.93399079085014 0.34710380706007 0.15551783357154 28.085 > 81 82 Si 0.93399079085014 0.84710380706007 0.15551783357154 28.085 > 81 83 Si 0.93399079085014 0.34710380706007 0.65551783357154 28.085 > 81 84 Si 0.93399079085014 0.84710380706007 0.65551783357154 28.085 > 81 85 Si 0.06600920914986 0.34710380706007 0.09448216642846 28.085 > 85 86 Si 0.06600920914986 0.84710380706007 0.09448216642846 28.085 > 85 87 Si 0.06600920914986 0.34710380706007 0.59448216642846 28.085 > 85 88 Si 0.06600920914986 0.84710380706007 0.59448216642846 28.085 > 85 89 Si 0.06600920914986 0.15289619293993 0.34448216642846 28.085 > 89 90 Si 0.06600920914986 0.65289619293993 0.34448216642846 28.085 > 89 91 Si 0.06600920914986 0.15289619293993 0.84448216642846 28.085 > 89 92 Si 0.06600920914986 0.65289619293993 0.84448216642846 28.085 > 89 93 Si 0.93399079085014 0.15289619293993 0.40551783357154 28.085 > 93 94 Si 0.93399079085014 0.65289619293993 0.40551783357154 28.085 > 93 95 Si 0.93399079085014 0.15289619293993 0.90551783357154 28.085 > 93 96 Si 0.93399079085014 0.65289619293993 0.90551783357154 28.085 > 93 97 Si 0.40428363815193 0.22654580480513 0.07057370141378 28.085 > 65 98 Si 0.40428363815193 0.72654580480513 0.07057370141378 28.085 > 65 99 Si 0.40428363815193 0.22654580480513 0.57057370141378 28.085 > 65 100 Si 0.40428363815193 0.72654580480513 0.57057370141378 28.085 > 65 101 Si 0.59571636184807 0.22654580480513 0.17942629858622 28.085 > 69 102 Si 0.59571636184807 0.72654580480513 0.17942629858622 28.085 > 69 103 Si 0.59571636184807 0.22654580480513 0.67942629858622 28.085 > 69 104 Si 0.59571636184807 0.72654580480513 0.67942629858622 28.085 > 69 105 Si 0.59571636184807 0.27345419519487 0.42942629858622 28.085 > 73 106 Si 0.59571636184807 0.77345419519487 0.42942629858622 28.085 > 73 107 Si 0.59571636184807 0.27345419519487 0.92942629858622 28.085 > 73 108 Si 0.59571636184807 0.77345419519487 0.92942629858622 28.085 > 73 109 Si 0.40428363815193 0.27345419519487 0.32057370141378 28.085 > 77 110 Si 0.40428363815193 0.77345419519487 0.32057370141378 28.085 > 77 111 Si 0.40428363815193 0.27345419519487 0.82057370141378 28.085 > 77 112 Si 0.40428363815193 0.77345419519487 0.82057370141378 28.085 > 77 113 Si 0.43399079085014 0.09710380706007 0.15551783357154 28.085 > 81 114 Si 0.43399079085014 0.59710380706007 0.15551783357154 28.085 > 81 115 Si 0.43399079085014 0.09710380706007 0.65551783357154 28.085 > 81 116 Si 0.43399079085014 0.59710380706007 0.65551783357154 28.085 > 81 117 Si 0.56600920914986 0.09710380706007 0.09448216642846 28.085 > 85 118 Si 0.56600920914986 0.59710380706007 0.09448216642846 28.085 > 85 119 Si 0.56600920914986 0.09710380706007 0.59448216642846 28.085 > 85 120 Si 0.56600920914986 0.59710380706007 0.59448216642846 28.085 > 85 121 Si 0.56600920914986 0.40289619293993 0.34448216642846 28.085 > 89 122 Si 0.56600920914986 0.90289619293993 0.34448216642846 28.085 > 89 123 Si 0.56600920914986 0.40289619293993 0.84448216642846 28.085 > 89 124 Si 0.56600920914986 0.90289619293993 0.84448216642846 28.085 > 89 125 Si 0.43399079085014 0.40289619293993 0.40551783357154 28.085 > 93 126 Si 0.43399079085014 0.90289619293993 0.40551783357154 28.085 > 93 127 Si 0.43399079085014 0.40289619293993 0.90551783357154 28.085 > 93 128 Si 0.43399079085014 0.90289619293993 0.90551783357154 28.085 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8283778 0.0000000 -0.4900293 0.0000000 10.2717937 0.0000000 -0.4899388 0.0000000 9.9599860 -------------------------- Born effective charges -------------------------- 1 Na 1.0409353 0.1967545 0.0443627 0.2469471 1.4593384 -0.1619984 0.1245250 0.0296833 1.3011692 2 Na 1.0409353 -0.1967545 0.0443627 -0.2469471 1.4593384 0.1619984 0.1245250 -0.0296833 1.3011692 3 Na 1.0409353 0.1967545 0.0443627 0.2469471 1.4593384 -0.1619984 0.1245250 0.0296833 1.3011692 4 Na 1.0409353 -0.1967545 0.0443627 -0.2469471 1.4593384 0.1619984 0.1245250 -0.0296833 1.3011692 5 Na 1.3502677 0.2723117 -0.0474029 0.3806842 1.1308771 0.0019664 -0.1571332 0.0653297 1.1086843 6 Na 1.3502677 -0.2723117 -0.0474029 -0.3806842 1.1308771 -0.0019664 -0.1571332 -0.0653297 1.1086843 7 Na 1.3502677 0.2723117 -0.0474029 0.3806842 1.1308771 0.0019664 -0.1571332 0.0653297 1.1086843 8 Na 1.3502677 -0.2723117 -0.0474029 -0.3806842 1.1308771 -0.0019664 -0.1571332 -0.0653297 1.1086843 9 Si -0.9907451 0.4298058 -0.4710995 0.4490181 -1.3342133 0.6659078 -0.5080713 0.7046151 -1.3451074 10 Si -0.9907451 -0.4298058 -0.4710995 -0.4490181 -1.3342133 -0.6659078 -0.5080713 -0.7046151 -1.3451074 11 Si -0.9907451 0.4298058 -0.4710995 0.4490181 -1.3342133 0.6659078 -0.5080713 0.7046151 -1.3451074 12 Si -0.9907451 -0.4298058 -0.4710995 -0.4490181 -1.3342133 -0.6659078 -0.5080713 -0.7046151 -1.3451074 13 Si -1.4004579 -0.6023136 0.4741397 -0.6011372 -1.2560021 0.2901307 0.5406795 0.4455288 -1.0647461 14 Si -1.4004579 0.6023136 0.4741397 0.6011372 -1.2560021 -0.2901307 0.5406795 -0.4455288 -1.0647461 15 Si -1.4004579 -0.6023136 0.4741397 -0.6011372 -1.2560021 0.2901307 0.5406795 0.4455288 -1.0647461 16 Si -1.4004579 0.6023136 0.4741397 0.6011372 -1.2560021 -0.2901307 0.5406795 -0.4455288 -1.0647461 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:09:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:09:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 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 5.964872975059311 -3.192692150000000 0.000000000000000 b 5.964872975059311 3.192692150000000 0.000000000000000 c -5.018546142904186 0.000000000000000 9.702369480007659 Atomic positions (fractional): 1 Na 0.72736694801873 0.54555769116702 0.45211304575606 22.990 2 Na 0.45444230883298 0.27263305198127 0.04788695424394 22.990 3 Na 0.27263305198127 0.45444230883298 0.54788695424394 22.990 4 Na 0.54555769116702 0.72736694801873 0.95211304575606 22.990 5 Na 0.96882359821929 0.32018225553994 0.14423187689698 22.990 6 Na 0.67981774446006 0.03117640178071 0.35576812310302 22.990 7 Na 0.03117640178071 0.67981774446006 0.85576812310302 22.990 8 Na 0.32018225553994 0.96882359821929 0.64423187689698 22.990 9 Si 0.95119202854167 0.85737524776218 0.14114740282757 28.085 10 Si 0.14262475223782 0.04880797145833 0.35885259717243 28.085 11 Si 0.04880797145833 0.14262475223782 0.85885259717243 28.085 12 Si 0.85737524776218 0.95119202854167 0.64114740282757 28.085 13 Si 0.23978317673000 0.62819840497029 0.31103566714309 28.085 14 Si 0.37180159502971 0.76021682327000 0.18896433285691 28.085 15 Si 0.76021682327000 0.37180159502971 0.68896433285691 28.085 16 Si 0.62819840497029 0.23978317673000 0.81103566714309 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.929745950118622 0.000000000000000 0.000000000000000 b 0.000000000000000 12.770768600000000 0.000000000000000 c -10.037092285808372 0.000000000000000 19.404738960015319 Atomic positions (fractional): 1 Na 0.13646231959287 0.20454768578707 0.22605652287803 22.990 > 1 2 Na 0.13646231959287 0.70454768578707 0.22605652287803 22.990 > 1 3 Na 0.13646231959287 0.20454768578707 0.72605652287803 22.990 > 1 4 Na 0.13646231959287 0.70454768578707 0.72605652287803 22.990 > 1 5 Na 0.86353768040713 0.20454768578707 0.02394347712197 22.990 > 5 6 Na 0.86353768040713 0.70454768578707 0.02394347712197 22.990 > 5 7 Na 0.86353768040713 0.20454768578707 0.52394347712197 22.990 > 5 8 Na 0.86353768040713 0.70454768578707 0.52394347712197 22.990 > 5 9 Na 0.86353768040713 0.29545231421293 0.27394347712197 22.990 > 9 10 Na 0.86353768040713 0.79545231421293 0.27394347712197 22.990 > 9 11 Na 0.86353768040713 0.29545231421293 0.77394347712197 22.990 > 9 12 Na 0.86353768040713 0.79545231421293 0.77394347712197 22.990 > 9 13 Na 0.13646231959287 0.29545231421293 0.47605652287803 22.990 > 13 14 Na 0.13646231959287 0.79545231421293 0.47605652287803 22.990 > 13 15 Na 0.13646231959287 0.29545231421293 0.97605652287803 22.990 > 13 16 Na 0.13646231959287 0.79545231421293 0.97605652287803 22.990 > 13 17 Na 0.64450292687961 0.33783966433016 0.07211593844849 22.990 > 17 18 Na 0.64450292687961 0.83783966433016 0.07211593844849 22.990 > 17 19 Na 0.64450292687961 0.33783966433016 0.57211593844849 22.990 > 17 20 Na 0.64450292687961 0.83783966433016 0.57211593844849 22.990 > 17 21 Na 0.85549707312039 0.08783966433016 0.17788406155151 22.990 > 21 22 Na 0.85549707312039 0.58783966433016 0.17788406155151 22.990 > 21 23 Na 0.85549707312039 0.08783966433016 0.67788406155151 22.990 > 21 24 Na 0.85549707312039 0.58783966433016 0.67788406155151 22.990 > 21 25 Na 0.35549707312039 0.16216033566984 0.42788406155151 22.990 > 25 26 Na 0.35549707312039 0.66216033566984 0.42788406155151 22.990 > 25 27 Na 0.35549707312039 0.16216033566984 0.92788406155151 22.990 > 25 28 Na 0.35549707312039 0.66216033566984 0.92788406155151 22.990 > 25 29 Na 0.14450292687961 0.41216033566984 0.32211593844849 22.990 > 29 30 Na 0.14450292687961 0.91216033566984 0.32211593844849 22.990 > 29 31 Na 0.14450292687961 0.41216033566984 0.82211593844849 22.990 > 29 32 Na 0.14450292687961 0.91216033566984 0.82211593844849 22.990 > 29 33 Na 0.63646231959287 0.45454768578707 0.22605652287803 22.990 > 1 34 Na 0.63646231959287 0.95454768578707 0.22605652287803 22.990 > 1 35 Na 0.63646231959287 0.45454768578707 0.72605652287803 22.990 > 1 36 Na 0.63646231959287 0.95454768578707 0.72605652287803 22.990 > 1 37 Na 0.36353768040713 0.45454768578707 0.02394347712197 22.990 > 5 38 Na 0.36353768040713 0.95454768578707 0.02394347712197 22.990 > 5 39 Na 0.36353768040713 0.45454768578707 0.52394347712197 22.990 > 5 40 Na 0.36353768040713 0.95454768578707 0.52394347712197 22.990 > 5 41 Na 0.36353768040713 0.04545231421293 0.27394347712197 22.990 > 9 42 Na 0.36353768040713 0.54545231421293 0.27394347712197 22.990 > 9 43 Na 0.36353768040713 0.04545231421293 0.77394347712197 22.990 > 9 44 Na 0.36353768040713 0.54545231421293 0.77394347712197 22.990 > 9 45 Na 0.63646231959287 0.04545231421293 0.47605652287803 22.990 > 13 46 Na 0.63646231959287 0.54545231421293 0.47605652287803 22.990 > 13 47 Na 0.63646231959287 0.04545231421293 0.97605652287803 22.990 > 13 48 Na 0.63646231959287 0.54545231421293 0.97605652287803 22.990 > 13 49 Na 0.14450292687961 0.08783966433016 0.07211593844849 22.990 > 17 50 Na 0.14450292687961 0.58783966433016 0.07211593844849 22.990 > 17 51 Na 0.14450292687961 0.08783966433016 0.57211593844849 22.990 > 17 52 Na 0.14450292687961 0.58783966433016 0.57211593844849 22.990 > 17 53 Na 0.35549707312039 0.33783966433016 0.17788406155151 22.990 > 21 54 Na 0.35549707312039 0.83783966433016 0.17788406155151 22.990 > 21 55 Na 0.35549707312039 0.33783966433016 0.67788406155151 22.990 > 21 56 Na 0.35549707312039 0.83783966433016 0.67788406155151 22.990 > 21 57 Na 0.85549707312039 0.41216033566984 0.42788406155151 22.990 > 25 58 Na 0.85549707312039 0.91216033566984 0.42788406155151 22.990 > 25 59 Na 0.85549707312039 0.41216033566984 0.92788406155151 22.990 > 25 60 Na 0.85549707312039 0.91216033566984 0.92788406155151 22.990 > 25 61 Na 0.64450292687961 0.16216033566984 0.32211593844849 22.990 > 29 62 Na 0.64450292687961 0.66216033566984 0.32211593844849 22.990 > 29 63 Na 0.64450292687961 0.16216033566984 0.82211593844849 22.990 > 29 64 Na 0.64450292687961 0.66216033566984 0.82211593844849 22.990 > 29 65 Si 0.90428363815193 0.47654580480513 0.07057370141378 28.085 > 65 66 Si 0.90428363815193 0.97654580480513 0.07057370141378 28.085 > 65 67 Si 0.90428363815193 0.47654580480513 0.57057370141378 28.085 > 65 68 Si 0.90428363815193 0.97654580480513 0.57057370141378 28.085 > 65 69 Si 0.09571636184807 0.47654580480513 0.17942629858622 28.085 > 69 70 Si 0.09571636184807 0.97654580480513 0.17942629858622 28.085 > 69 71 Si 0.09571636184807 0.47654580480513 0.67942629858622 28.085 > 69 72 Si 0.09571636184807 0.97654580480513 0.67942629858622 28.085 > 69 73 Si 0.09571636184807 0.02345419519487 0.42942629858622 28.085 > 73 74 Si 0.09571636184807 0.52345419519487 0.42942629858622 28.085 > 73 75 Si 0.09571636184807 0.02345419519487 0.92942629858622 28.085 > 73 76 Si 0.09571636184807 0.52345419519487 0.92942629858622 28.085 > 73 77 Si 0.90428363815193 0.02345419519487 0.32057370141378 28.085 > 77 78 Si 0.90428363815193 0.52345419519487 0.32057370141378 28.085 > 77 79 Si 0.90428363815193 0.02345419519487 0.82057370141378 28.085 > 77 80 Si 0.90428363815193 0.52345419519487 0.82057370141378 28.085 > 77 81 Si 0.93399079085014 0.34710380706007 0.15551783357154 28.085 > 81 82 Si 0.93399079085014 0.84710380706007 0.15551783357154 28.085 > 81 83 Si 0.93399079085014 0.34710380706007 0.65551783357154 28.085 > 81 84 Si 0.93399079085014 0.84710380706007 0.65551783357154 28.085 > 81 85 Si 0.06600920914986 0.34710380706007 0.09448216642846 28.085 > 85 86 Si 0.06600920914986 0.84710380706007 0.09448216642846 28.085 > 85 87 Si 0.06600920914986 0.34710380706007 0.59448216642846 28.085 > 85 88 Si 0.06600920914986 0.84710380706007 0.59448216642846 28.085 > 85 89 Si 0.06600920914986 0.15289619293993 0.34448216642846 28.085 > 89 90 Si 0.06600920914986 0.65289619293993 0.34448216642846 28.085 > 89 91 Si 0.06600920914986 0.15289619293993 0.84448216642846 28.085 > 89 92 Si 0.06600920914986 0.65289619293993 0.84448216642846 28.085 > 89 93 Si 0.93399079085014 0.15289619293993 0.40551783357154 28.085 > 93 94 Si 0.93399079085014 0.65289619293993 0.40551783357154 28.085 > 93 95 Si 0.93399079085014 0.15289619293993 0.90551783357154 28.085 > 93 96 Si 0.93399079085014 0.65289619293993 0.90551783357154 28.085 > 93 97 Si 0.40428363815193 0.22654580480513 0.07057370141378 28.085 > 65 98 Si 0.40428363815193 0.72654580480513 0.07057370141378 28.085 > 65 99 Si 0.40428363815193 0.22654580480513 0.57057370141378 28.085 > 65 100 Si 0.40428363815193 0.72654580480513 0.57057370141378 28.085 > 65 101 Si 0.59571636184807 0.22654580480513 0.17942629858622 28.085 > 69 102 Si 0.59571636184807 0.72654580480513 0.17942629858622 28.085 > 69 103 Si 0.59571636184807 0.22654580480513 0.67942629858622 28.085 > 69 104 Si 0.59571636184807 0.72654580480513 0.67942629858622 28.085 > 69 105 Si 0.59571636184807 0.27345419519487 0.42942629858622 28.085 > 73 106 Si 0.59571636184807 0.77345419519487 0.42942629858622 28.085 > 73 107 Si 0.59571636184807 0.27345419519487 0.92942629858622 28.085 > 73 108 Si 0.59571636184807 0.77345419519487 0.92942629858622 28.085 > 73 109 Si 0.40428363815193 0.27345419519487 0.32057370141378 28.085 > 77 110 Si 0.40428363815193 0.77345419519487 0.32057370141378 28.085 > 77 111 Si 0.40428363815193 0.27345419519487 0.82057370141378 28.085 > 77 112 Si 0.40428363815193 0.77345419519487 0.82057370141378 28.085 > 77 113 Si 0.43399079085014 0.09710380706007 0.15551783357154 28.085 > 81 114 Si 0.43399079085014 0.59710380706007 0.15551783357154 28.085 > 81 115 Si 0.43399079085014 0.09710380706007 0.65551783357154 28.085 > 81 116 Si 0.43399079085014 0.59710380706007 0.65551783357154 28.085 > 81 117 Si 0.56600920914986 0.09710380706007 0.09448216642846 28.085 > 85 118 Si 0.56600920914986 0.59710380706007 0.09448216642846 28.085 > 85 119 Si 0.56600920914986 0.09710380706007 0.59448216642846 28.085 > 85 120 Si 0.56600920914986 0.59710380706007 0.59448216642846 28.085 > 85 121 Si 0.56600920914986 0.40289619293993 0.34448216642846 28.085 > 89 122 Si 0.56600920914986 0.90289619293993 0.34448216642846 28.085 > 89 123 Si 0.56600920914986 0.40289619293993 0.84448216642846 28.085 > 89 124 Si 0.56600920914986 0.90289619293993 0.84448216642846 28.085 > 89 125 Si 0.43399079085014 0.40289619293993 0.40551783357154 28.085 > 93 126 Si 0.43399079085014 0.90289619293993 0.40551783357154 28.085 > 93 127 Si 0.43399079085014 0.40289619293993 0.90551783357154 28.085 > 93 128 Si 0.43399079085014 0.90289619293993 0.90551783357154 28.085 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.8283778 0.0000000 -0.4900293 0.0000000 10.2717937 0.0000000 -0.4899388 0.0000000 9.9599860 -------------------------- Born effective charges -------------------------- 1 Na 1.0409353 0.1967545 0.0443627 0.2469471 1.4593384 -0.1619984 0.1245250 0.0296833 1.3011692 2 Na 1.0409353 -0.1967545 0.0443627 -0.2469471 1.4593384 0.1619984 0.1245250 -0.0296833 1.3011692 3 Na 1.0409353 0.1967545 0.0443627 0.2469471 1.4593384 -0.1619984 0.1245250 0.0296833 1.3011692 4 Na 1.0409353 -0.1967545 0.0443627 -0.2469471 1.4593384 0.1619984 0.1245250 -0.0296833 1.3011692 5 Na 1.3502677 0.2723117 -0.0474029 0.3806842 1.1308771 0.0019664 -0.1571332 0.0653297 1.1086843 6 Na 1.3502677 -0.2723117 -0.0474029 -0.3806842 1.1308771 -0.0019664 -0.1571332 -0.0653297 1.1086843 7 Na 1.3502677 0.2723117 -0.0474029 0.3806842 1.1308771 0.0019664 -0.1571332 0.0653297 1.1086843 8 Na 1.3502677 -0.2723117 -0.0474029 -0.3806842 1.1308771 -0.0019664 -0.1571332 -0.0653297 1.1086843 9 Si -0.9907451 0.4298058 -0.4710995 0.4490181 -1.3342133 0.6659078 -0.5080713 0.7046151 -1.3451074 10 Si -0.9907451 -0.4298058 -0.4710995 -0.4490181 -1.3342133 -0.6659078 -0.5080713 -0.7046151 -1.3451074 11 Si -0.9907451 0.4298058 -0.4710995 0.4490181 -1.3342133 0.6659078 -0.5080713 0.7046151 -1.3451074 12 Si -0.9907451 -0.4298058 -0.4710995 -0.4490181 -1.3342133 -0.6659078 -0.5080713 -0.7046151 -1.3451074 13 Si -1.4004579 -0.6023136 0.4741397 -0.6011372 -1.2560021 0.2901307 0.5406795 0.4455288 -1.0647461 14 Si -1.4004579 0.6023136 0.4741397 0.6011372 -1.2560021 -0.2901307 0.5406795 -0.4455288 -1.0647461 15 Si -1.4004579 -0.6023136 0.4741397 -0.6011372 -1.2560021 0.2901307 0.5406795 0.4455288 -1.0647461 16 Si -1.4004579 0.6023136 0.4741397 0.6011372 -1.2560021 -0.2901307 0.5406795 -0.4455288 -1.0647461 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 5 ] 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: 0.58, Number of G-points: 293, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 0.000) 0.000 10.119 ( 0.000 0.000 0.000) 0.000 10.942 ( 0.000 0.000 0.000) 0.000 11.028 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 14.621 ( 0.000 0.000 0.000) 0.000 14.638 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 11.105 -21.671 -3.084) 24.545 0.540 ( 17.354 -20.598 -0.761) 26.945 0.859 ( 24.572 -25.303 33.041) 48.329 1.664 ( 3.197 -3.959 -1.769) 5.387 1.967 ( -8.711 5.195 -5.580) 11.576 2.073 ( 2.530 2.861 -3.983) 5.518 2.356 ( -12.493 0.989 -1.179) 12.587 2.367 ( 2.587 4.485 -3.917) 6.493 2.479 ( 4.090 -6.318 2.687) 7.991 2.670 ( 7.227 0.167 1.553) 7.394 2.876 ( 2.713 -1.869 -4.887) 5.893 2.939 ( -5.954 -2.497 -6.164) 8.927 3.067 ( 1.085 0.257 -4.824) 4.951 3.144 ( -1.066 -6.083 9.359) 11.213 3.216 ( -5.421 1.998 0.804) 5.834 3.251 ( 1.786 2.902 2.622) 4.300 3.508 ( 1.914 1.857 -1.109) 2.888 3.620 ( 0.048 -7.722 -3.298) 8.397 3.836 ( -4.032 2.307 -6.196) 7.744 3.898 ( 2.516 4.634 -4.822) 7.145 3.948 ( -1.633 3.281 8.468) 9.227 4.236 ( -6.348 -2.158 2.840) 7.281 4.470 ( 1.031 1.002 2.133) 2.573 4.484 ( 0.523 1.873 1.638) 2.543 4.566 ( 3.527 1.400 0.768) 3.872 4.628 ( 4.960 2.042 1.248) 5.507 4.741 ( 1.053 -0.655 -3.027) 3.271 4.859 ( 1.470 -3.499 -0.454) 3.822 4.969 ( 0.659 0.080 0.938) 1.149 5.234 ( -5.511 -2.193 3.306) 6.790 5.275 ( -3.556 -5.477 0.153) 6.532 5.576 ( 6.726 2.921 -2.901) 7.886 5.942 ( -4.813 -5.164 -15.741) 17.252 6.133 ( -5.111 12.795 -2.148) 13.945 6.374 ( 0.558 -0.580 3.544) 3.634 6.600 ( 4.291 -3.478 11.791) 13.020 8.303 ( -0.224 1.263 -0.036) 1.283 8.468 ( -0.214 2.731 0.038) 2.739 9.223 ( -0.509 -0.405 -0.078) 0.655 9.420 ( -0.458 0.947 -0.357) 1.111 10.124 ( -0.218 -0.733 -0.014) 0.765 10.160 ( -2.827 -2.322 -1.769) 4.064 10.944 ( 0.029 0.443 1.320) 1.392 11.028 ( 0.656 0.457 0.299) 0.854 11.530 ( 2.667 2.419 1.259) 3.815 11.661 ( -0.683 1.148 -0.298) 1.369 14.622 ( 0.038 -0.071 -0.057) 0.099 14.639 ( -0.244 -0.156 -0.423) 0.512 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 13.640 -15.061 -3.913) 20.693 0.996 ( 13.741 -13.584 1.246) 19.362 1.583 ( 12.481 -13.888 25.924) 31.949 1.760 ( -2.676 0.989 -10.533) 10.912 1.800 ( 3.164 -8.197 0.916) 8.834 2.038 ( 10.716 3.671 1.944) 11.493 2.217 ( -12.679 1.214 1.823) 12.867 2.331 ( 0.189 0.739 -3.713) 3.790 2.598 ( 3.116 0.320 -5.792) 6.585 2.763 ( -2.909 -2.534 -1.757) 4.239 2.790 ( -1.999 1.447 4.284) 4.944 2.891 ( 3.406 0.426 -10.491) 11.038 3.027 ( -0.125 1.435 -2.395) 2.795 3.131 ( 1.823 0.115 0.360) 1.862 3.239 ( -3.129 0.865 -1.875) 3.749 3.331 ( -1.315 -4.071 2.515) 4.963 3.524 ( 3.248 -4.091 2.665) 5.864 3.729 ( 2.112 -3.846 -5.448) 6.995 3.768 ( -0.260 -0.066 1.688) 1.709 3.839 ( -0.679 3.375 1.468) 3.742 3.970 ( -1.931 -3.849 7.548) 8.690 4.170 ( -3.410 5.667 5.921) 8.877 4.398 ( -1.450 4.816 1.307) 5.197 4.496 ( 1.650 0.168 -2.642) 3.119 4.585 ( -3.560 -2.434 1.836) 4.687 4.627 ( 4.613 2.890 -0.577) 5.474 4.745 ( 1.682 -0.520 -5.548) 5.820 4.913 ( 1.353 0.701 -1.971) 2.491 4.987 ( 3.402 -0.293 1.146) 3.602 5.216 ( -5.620 1.172 2.048) 6.095 5.339 ( 0.134 -2.547 2.329) 3.454 5.578 ( 2.725 0.587 -1.180) 3.027 5.865 ( -4.619 7.662 -5.636) 10.574 5.912 ( -3.499 -0.831 -6.693) 7.598 6.428 ( 2.365 -1.638 6.146) 6.786 6.726 ( -0.048 -4.810 2.086) 5.243 8.269 ( -0.314 2.095 -0.237) 2.132 8.402 ( -0.238 4.249 0.183) 4.260 9.225 ( -0.031 -0.098 0.293) 0.310 9.390 ( -0.755 1.397 -0.545) 1.679 10.140 ( -0.229 -1.194 0.068) 1.217 10.167 ( -1.681 -1.754 -1.270) 2.741 10.944 ( 0.531 0.268 0.373) 0.702 11.027 ( 0.993 0.768 0.338) 1.300 11.515 ( 1.608 2.380 1.757) 3.367 11.622 ( -1.357 1.830 -0.956) 2.471 14.622 ( -0.030 0.046 -0.283) 0.288 14.639 ( -0.196 -0.263 -0.446) 0.554 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 11.688 -1.102 -7.459) 13.909 1.279 ( 9.037 -5.564 10.148) 14.684 1.605 ( -1.405 4.240 1.512) 4.716 1.893 ( 3.516 -8.483 -7.258) 11.704 1.977 ( -4.199 1.925 4.505) 6.452 2.075 ( -1.985 -4.496 -3.858) 6.248 2.289 ( -1.324 -2.397 -0.932) 2.893 2.337 ( 10.495 -4.381 12.015) 16.544 2.548 ( -2.742 -1.721 -3.674) 4.896 2.673 ( 1.570 -1.405 0.265) 2.124 2.826 ( 3.196 5.281 -1.369) 6.323 2.913 ( 2.214 -4.027 -5.072) 6.844 3.016 ( 1.567 1.475 -0.073) 2.153 3.133 ( -6.677 -0.603 -3.633) 7.625 3.266 ( 5.113 -8.714 0.512) 10.116 3.398 ( 2.710 -1.003 3.761) 4.743 3.616 ( -1.230 -2.064 -0.022) 2.402 3.701 ( -5.198 6.834 1.634) 8.740 3.787 ( 2.302 0.411 1.502) 2.779 3.802 ( -2.301 -3.652 -0.072) 4.317 4.033 ( -2.954 2.334 0.042) 3.765 4.144 ( 5.869 -1.680 9.646) 11.416 4.325 ( -0.286 3.840 4.882) 6.217 4.495 ( -1.720 -2.344 -3.724) 4.724 4.581 ( -4.321 -0.588 1.378) 4.573 4.623 ( 4.255 1.777 -2.588) 5.287 4.729 ( 1.188 0.813 -6.112) 6.279 4.833 ( -2.823 4.539 -4.210) 6.804 5.042 ( 3.228 -0.753 1.209) 3.528 5.109 ( -4.390 3.812 -1.056) 5.910 5.385 ( 2.598 -0.203 3.024) 3.992 5.594 ( 1.162 -0.381 0.020) 1.223 5.730 ( -4.017 0.259 -6.468) 7.619 5.859 ( -2.332 2.004 -1.431) 3.392 6.537 ( 4.592 -2.812 8.495) 10.058 6.783 ( -2.739 -3.392 -2.892) 5.232 8.226 ( -0.395 2.126 -0.512) 2.223 8.331 ( -0.040 3.551 0.397) 3.574 9.229 ( 0.156 -0.020 0.402) 0.432 9.357 ( -0.754 1.215 -0.499) 1.514 10.159 ( -0.078 -1.035 0.136) 1.047 10.177 ( -1.108 -1.350 -0.844) 1.939 10.949 ( 0.606 0.033 0.179) 0.632 11.023 ( 0.895 0.759 0.189) 1.188 11.498 ( 1.410 2.175 2.200) 3.400 11.569 ( -1.792 1.589 -1.733) 2.956 14.618 ( -0.092 0.094 -0.386) 0.408 14.640 ( -0.122 -0.223 -0.299) 0.393 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 8.820 -2.493 3.891) 9.957 1.461 ( 7.029 -2.110 1.352) 7.463 1.500 ( -1.889 3.865 -0.184) 4.306 1.729 ( -11.109 8.038 -1.091) 13.755 2.052 ( 3.617 -7.490 -6.898) 10.806 2.184 ( -1.960 0.923 -2.679) 3.446 2.271 ( 0.138 -2.775 2.515) 3.748 2.440 ( -1.964 -1.493 2.561) 3.556 2.600 ( 3.516 -2.542 1.712) 4.665 2.759 ( 3.461 3.822 -3.550) 6.261 2.827 ( -0.586 -2.973 3.314) 4.491 2.968 ( 1.858 -2.110 -1.642) 3.256 3.041 ( 6.374 -5.983 2.436) 9.076 3.126 ( -0.458 -2.134 -2.085) 3.018 3.347 ( -5.823 10.585 2.097) 12.262 3.444 ( 3.415 -3.887 1.746) 5.461 3.540 ( -3.250 1.457 -2.441) 4.318 3.611 ( -2.303 -1.079 0.481) 2.588 3.800 ( 1.229 0.310 -0.421) 1.336 3.871 ( 1.165 -1.790 6.778) 7.107 3.956 ( -2.785 1.567 -6.413) 7.165 4.269 ( 2.074 -3.363 7.976) 8.901 4.313 ( 3.105 1.614 1.241) 3.713 4.512 ( -0.859 -0.200 0.583) 1.057 4.528 ( -5.282 -0.176 -5.030) 7.295 4.601 ( 3.816 3.454 -1.523) 5.368 4.693 ( 0.629 1.181 -0.866) 1.594 4.725 ( -3.469 0.831 -3.325) 4.877 5.045 ( -0.787 0.413 -0.197) 0.910 5.076 ( 0.559 -0.355 0.484) 0.820 5.437 ( 3.882 0.256 4.335) 5.825 5.614 ( 2.871 -0.316 -0.472) 2.926 5.669 ( -7.107 -1.777 -6.860) 10.036 5.801 ( 0.152 2.723 1.856) 3.299 6.670 ( 5.178 -1.911 8.220) 9.901 6.763 ( -4.438 -0.738 -6.146) 7.617 8.192 ( -0.190 0.988 -0.273) 1.042 8.290 ( 0.036 1.260 0.219) 1.279 9.232 ( 0.120 -0.029 0.209) 0.243 9.334 ( -0.345 0.500 -0.221) 0.647 10.172 ( -0.007 -0.371 0.036) 0.373 10.184 ( -0.398 -0.558 -0.260) 0.733 10.954 ( 0.263 -0.048 0.081) 0.280 11.020 ( 0.368 0.334 0.042) 0.499 11.490 ( 1.049 1.068 1.675) 2.246 11.526 ( -1.301 0.474 -1.545) 2.074 14.615 ( -0.045 0.038 -0.170) 0.180 14.641 ( -0.047 -0.074 -0.114) 0.144 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 14.282 0.000 7.013) 15.911 0.489 ( 17.390 0.000 17.136) 24.414 1.225 ( 44.568 0.000 33.535) 55.776 1.638 ( 4.392 0.000 -6.141) 7.550 1.815 ( -10.128 -0.000 -13.242) 16.671 2.175 ( -8.806 -0.000 -4.416) 9.851 2.201 ( 6.027 0.000 5.002) 7.832 2.421 ( 5.141 0.000 -1.426) 5.335 2.548 ( 6.371 0.000 -3.675) 7.355 2.774 ( -1.724 -0.000 -8.475) 8.649 2.786 ( 7.553 0.000 1.183) 7.645 2.866 ( -1.324 -0.000 -0.425) 1.390 3.021 ( 2.533 0.000 -2.254) 3.391 3.088 ( -0.040 -0.000 -0.100) 0.108 3.204 ( -8.657 -0.000 7.125) 11.212 3.436 ( 0.692 0.000 10.468) 10.491 3.454 ( 6.992 0.000 -2.660) 7.481 3.528 ( 2.637 0.000 -2.998) 3.993 3.795 ( -4.726 -0.000 -3.886) 6.119 3.947 ( 2.299 0.000 -5.504) 5.965 4.065 ( -2.151 -0.000 -1.560) 2.657 4.106 ( -10.130 -0.000 1.271) 10.210 4.444 ( -4.352 -0.000 3.269) 5.443 4.449 ( -2.263 -0.000 -1.189) 2.556 4.636 ( -2.090 -0.000 -2.150) 2.999 4.685 ( -1.115 -0.000 -2.946) 3.150 4.729 ( 1.166 0.000 -9.057) 9.132 4.828 ( 11.519 0.000 10.750) 15.756 5.005 ( 2.705 0.000 1.748) 3.220 5.063 ( -4.564 -0.000 3.246) 5.600 5.236 ( 1.524 0.000 -0.469) 1.595 5.715 ( 8.070 0.000 -15.267) 17.268 5.766 ( 1.340 0.000 7.141) 7.266 6.248 ( -5.309 -0.000 -5.072) 7.343 6.410 ( -0.053 -0.000 -0.484) 0.487 6.627 ( -6.743 -0.000 12.447) 14.156 8.312 ( -0.114 -0.000 0.180) 0.213 8.489 ( -0.441 -0.000 0.062) 0.445 9.211 ( 0.347 0.000 0.678) 0.761 9.420 ( -0.807 -0.000 -0.632) 1.025 10.094 ( -0.309 -0.000 -0.584) 0.661 10.115 ( -0.377 -0.000 -0.041) 0.379 10.956 ( -0.591 -0.000 1.765) 1.861 11.036 ( 0.420 0.000 0.640) 0.765 11.598 ( 0.910 0.000 0.763) 1.188 11.655 ( -1.394 -0.000 -1.440) 2.004 14.623 ( 0.181 0.000 0.038) 0.185 14.632 ( -0.227 -0.000 -0.599) 0.641 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 15.056 -17.875 -4.072) 23.723 0.910 ( 11.413 -15.898 17.075) 25.973 1.612 ( -5.733 -1.892 -9.950) 11.638 1.685 ( 5.650 -3.642 -7.441) 10.028 1.849 ( 28.876 -1.094 23.856) 37.472 2.078 ( -6.712 0.776 -2.921) 7.361 2.263 ( 12.258 3.162 8.055) 15.004 2.419 ( 3.713 6.287 -4.957) 8.825 2.604 ( 5.788 -3.716 -4.860) 8.422 2.730 ( -1.106 -1.928 -1.050) 2.458 2.755 ( -3.258 1.307 -8.031) 8.765 2.873 ( -1.372 0.192 -2.290) 2.676 3.031 ( -0.686 1.383 -3.240) 3.589 3.145 ( 0.533 -2.125 0.149) 2.195 3.162 ( -4.469 -0.684 2.850) 5.344 3.384 ( 8.495 3.460 6.411) 11.191 3.538 ( 0.149 0.486 0.908) 1.040 3.607 ( -2.053 -4.622 -5.298) 7.325 3.771 ( 0.370 -2.532 3.556) 4.381 3.887 ( 1.480 1.910 -5.082) 5.628 3.943 ( -3.676 2.064 6.939) 8.119 4.200 ( -2.827 -4.538 5.011) 7.328 4.425 ( -2.300 0.086 -1.438) 2.714 4.430 ( -5.261 -0.945 -0.266) 5.352 4.586 ( -5.333 -0.270 -3.668) 6.478 4.651 ( -4.492 -1.718 -2.746) 5.538 4.712 ( 6.304 1.546 -9.456) 11.470 4.966 ( 5.559 1.473 5.929) 8.260 5.011 ( 0.975 -0.003 1.398) 1.705 5.092 ( -6.178 -4.663 1.081) 7.815 5.306 ( 2.542 -4.002 3.283) 5.767 5.673 ( 5.537 4.141 -4.435) 8.214 5.837 ( 0.270 -1.783 1.321) 2.235 5.999 ( -4.746 13.822 -5.304) 15.547 6.439 ( 1.609 -2.564 2.671) 4.037 6.656 ( -3.497 -3.164 3.181) 5.688 8.299 ( -0.211 1.475 0.135) 1.496 8.462 ( -0.472 2.585 0.141) 2.632 9.224 ( 0.310 -0.334 0.779) 0.903 9.399 ( -1.051 0.919 -0.774) 1.596 10.110 ( -0.967 -2.029 -1.114) 2.508 10.119 ( -0.387 -0.876 0.249) 0.989 10.956 ( 0.328 0.305 0.303) 0.540 11.044 ( 0.568 0.089 0.569) 0.808 11.584 ( 1.454 2.447 1.683) 3.307 11.625 ( -2.074 0.958 -1.720) 2.860 14.623 ( 0.072 0.165 -0.247) 0.306 14.631 ( -0.011 -0.282 -0.310) 0.419 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 16.198 -15.967 -8.343) 24.226 1.257 ( -1.148 -6.756 12.244) 14.031 1.576 ( 6.951 -5.276 -11.119) 14.135 1.800 ( 1.403 -5.925 0.725) 6.132 1.968 ( -7.122 1.805 0.298) 7.353 2.073 ( 9.226 4.002 4.147) 10.878 2.257 ( -0.343 6.789 -9.032) 11.304 2.494 ( 7.084 2.729 5.503) 9.376 2.575 ( 10.524 1.215 3.280) 11.090 2.679 ( 2.226 -0.135 1.539) 2.710 2.831 ( -2.414 -2.781 0.109) 3.685 2.899 ( -0.786 -2.778 2.219) 3.641 3.012 ( 2.390 -2.874 -3.414) 5.062 3.107 ( 1.445 3.431 -6.081) 7.130 3.189 ( 4.130 -4.238 2.271) 6.338 3.460 ( 6.589 1.689 4.660) 8.245 3.554 ( -1.509 -3.162 0.774) 3.588 3.662 ( -0.724 -4.685 -3.184) 5.711 3.734 ( -8.764 0.834 0.996) 8.860 3.845 ( 0.470 3.555 0.556) 3.629 4.019 ( -2.551 -2.646 7.049) 7.950 4.247 ( 4.625 0.934 5.779) 7.461 4.363 ( -5.168 1.238 -4.107) 6.717 4.415 ( -2.263 -2.939 0.819) 3.798 4.515 ( -7.471 -0.702 -1.707) 7.696 4.660 ( -2.869 -3.980 -3.202) 5.859 4.682 ( 4.526 2.778 -8.042) 9.637 4.929 ( 1.444 6.566 0.617) 6.751 5.031 ( -2.583 -1.947 -0.519) 3.276 5.104 ( -1.727 0.233 0.521) 1.819 5.401 ( 2.501 -1.871 4.267) 5.288 5.634 ( 3.924 3.048 -2.522) 5.572 5.742 ( -3.119 7.446 -4.317) 9.155 5.866 ( 0.715 0.247 2.191) 2.317 6.543 ( 2.814 -4.700 4.541) 7.115 6.681 ( -3.754 -3.057 -1.764) 5.153 8.261 ( -0.336 2.434 -0.200) 2.466 8.401 ( -0.209 3.886 0.407) 3.913 9.234 ( 0.361 0.040 0.744) 0.828 9.367 ( -1.016 1.161 -0.675) 1.685 10.130 ( -0.675 -1.759 -1.110) 2.187 10.140 ( -0.303 -1.547 0.684) 1.718 10.956 ( 0.518 0.175 -0.219) 0.589 11.045 ( 0.628 0.663 0.198) 0.934 11.564 ( 1.341 2.540 2.209) 3.623 11.569 ( -2.468 1.637 -2.326) 3.765 14.618 ( 0.019 0.149 -0.351) 0.382 14.636 ( 0.226 -0.195 0.077) 0.308 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 2.354 -0.407 3.898) 4.572 1.462 ( 7.877 -10.810 -5.984) 14.653 1.617 ( 6.465 8.711 -3.119) 11.287 1.757 ( -9.779 8.046 -1.449) 12.746 1.950 ( 6.423 -5.635 -0.409) 8.555 2.137 ( -0.792 -0.438 -4.747) 4.833 2.225 ( 6.288 -8.489 0.900) 10.603 2.385 ( -2.776 2.240 -2.517) 4.366 2.612 ( -2.406 2.394 4.064) 5.295 2.838 ( 1.958 -0.124 4.146) 4.587 2.884 ( 6.856 2.092 0.188) 7.171 2.939 ( 5.808 -3.347 -3.372) 7.504 2.985 ( -0.134 -4.666 -0.402) 4.685 3.107 ( 1.547 1.544 2.725) 3.493 3.396 ( 3.863 -5.467 3.886) 7.740 3.489 ( 2.028 2.038 -1.979) 3.490 3.534 ( -3.736 5.560 1.716) 6.915 3.585 ( -3.870 1.381 0.499) 4.139 3.746 ( 0.057 -5.600 -3.668) 6.694 3.854 ( -0.937 -3.381 6.287) 7.199 3.965 ( -4.317 4.755 0.715) 6.462 4.258 ( -2.580 0.489 -4.101) 4.870 4.346 ( 2.220 -1.225 1.656) 3.028 4.421 ( -7.520 -1.520 -2.611) 8.104 4.518 ( 1.789 -1.836 2.648) 3.686 4.634 ( -0.012 -1.393 -7.240) 7.373 4.687 ( -0.324 0.018 2.585) 2.605 4.815 ( 2.314 7.856 1.783) 8.381 5.016 ( -2.781 -1.397 -2.095) 3.751 5.088 ( 0.661 1.156 0.150) 1.340 5.487 ( 3.929 -2.591 4.081) 6.229 5.584 ( -4.662 5.172 -5.311) 8.757 5.632 ( 2.767 -0.293 -0.788) 2.892 5.873 ( 1.321 2.083 4.129) 4.810 6.647 ( -4.091 -3.462 -5.557) 7.720 6.705 ( 2.795 -3.233 4.972) 6.557 8.214 ( -0.397 2.144 -0.483) 2.233 8.337 ( 0.163 3.389 0.660) 3.456 9.237 ( 0.196 0.237 0.421) 0.521 9.339 ( -0.589 0.730 -0.363) 1.006 10.149 ( -0.438 -1.496 -0.743) 1.727 10.169 ( 0.083 -1.315 0.790) 1.536 10.956 ( 0.213 0.097 -0.348) 0.419 11.035 ( 0.366 0.948 -0.177) 1.032 11.503 ( -2.272 1.553 -2.346) 3.616 11.549 ( 1.171 1.731 2.026) 2.910 14.616 ( 0.131 0.088 -0.057) 0.168 14.641 ( 0.304 -0.037 0.273) 0.410 ======================= Grid point 14 (10/115) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -9.452 6.359 -8.369) 14.135 1.490 ( 1.915 3.594 -1.415) 4.311 1.547 ( -0.650 8.725 0.397) 8.759 1.705 ( 11.021 -6.279 0.012) 12.684 2.087 ( 5.948 -4.733 -3.626) 8.422 2.161 ( -2.775 -2.996 5.160) 6.580 2.336 ( 0.987 2.684 2.799) 4.002 2.432 ( 2.623 -4.582 -4.312) 6.817 2.549 ( -6.575 0.443 5.406) 8.523 2.746 ( -2.895 4.184 -5.665) 7.615 2.902 ( 7.391 1.829 -2.557) 8.031 3.005 ( -0.020 2.472 2.834) 3.760 3.080 ( -3.163 -0.160 -0.758) 3.257 3.173 ( -1.191 3.907 5.662) 6.982 3.230 ( 1.382 -3.626 -1.891) 4.317 3.447 ( -1.552 0.266 -1.895) 2.464 3.574 ( 3.483 -0.370 2.748) 4.452 3.653 ( 5.914 -1.842 0.538) 6.218 3.780 ( -7.900 5.705 -3.030) 10.205 3.815 ( -0.187 -3.523 -4.792) 5.951 3.969 ( -0.284 -3.220 9.157) 9.711 4.236 ( -1.593 -1.468 -3.330) 3.972 4.267 ( -5.961 3.788 -8.974) 11.420 4.448 ( -1.425 -5.221 3.299) 6.338 4.547 ( 2.166 -1.099 -2.160) 3.250 4.661 ( 3.818 4.445 1.266) 5.995 4.690 ( -1.262 -1.761 5.543) 5.951 4.773 ( 4.154 1.336 4.990) 6.629 5.033 ( 0.455 -2.377 -1.927) 3.094 5.064 ( -1.550 0.959 -0.797) 1.989 5.402 ( -5.770 4.767 -6.169) 9.699 5.578 ( -0.128 -1.974 1.256) 2.343 5.714 ( 5.021 -4.743 1.376) 7.043 5.858 ( 2.902 4.463 6.707) 8.563 6.587 ( -6.026 -0.493 -9.321) 11.110 6.819 ( 3.555 -1.931 4.894) 6.350 8.185 ( -0.233 0.374 -0.339) 0.556 8.297 ( 0.283 1.697 0.525) 1.798 9.233 ( -0.125 0.286 -0.059) 0.318 9.331 ( 0.073 -0.163 0.051) 0.185 10.164 ( -0.193 -0.855 -0.399) 0.963 10.191 ( 0.435 -0.565 0.742) 1.029 10.952 ( -0.254 0.147 -0.413) 0.506 11.020 ( -0.152 0.717 -0.314) 0.797 11.458 ( -1.756 0.146 -2.197) 2.816 11.549 ( 1.213 0.619 1.812) 2.267 14.617 ( 0.213 0.030 0.255) 0.333 14.645 ( 0.327 0.097 0.406) 0.530 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -8.118 -1.910 -0.889) 8.387 1.319 ( -3.692 9.824 -3.496) 11.062 1.512 ( 2.536 -2.071 -5.993) 6.829 1.931 ( 7.787 -5.880 0.665) 9.780 2.075 ( -2.876 7.306 9.702) 12.481 2.213 ( -0.784 6.084 -1.220) 6.254 2.260 ( -4.806 5.573 -11.475) 13.632 2.361 ( 2.249 -0.734 2.620) 3.530 2.593 ( -0.626 -4.383 1.442) 4.657 2.667 ( -3.799 2.943 0.328) 4.816 2.811 ( 0.467 5.631 -0.667) 5.690 2.981 ( -0.291 -0.051 2.839) 2.855 3.009 ( 3.492 3.513 3.420) 6.019 3.187 ( 0.292 -1.511 5.993) 6.188 3.372 ( 0.785 -0.781 -3.186) 3.372 3.418 ( 1.832 6.940 0.206) 7.180 3.572 ( -2.363 -2.931 -6.148) 7.209 3.638 ( 0.750 -2.537 0.871) 2.785 3.721 ( -2.760 -1.541 -2.654) 4.127 3.851 ( 0.953 -1.498 -2.216) 2.839 4.013 ( -2.189 1.066 1.216) 2.722 4.121 ( -2.708 1.602 -4.434) 5.438 4.256 ( 2.184 -1.379 -1.589) 3.032 4.513 ( -4.354 -2.909 -3.699) 6.411 4.586 ( 2.499 1.850 3.578) 4.740 4.617 ( 2.029 0.382 0.944) 2.270 4.742 ( -0.266 -0.565 8.797) 8.819 4.838 ( 3.735 -1.280 1.719) 4.306 5.018 ( -3.004 1.058 -1.578) 3.554 5.077 ( 1.021 -2.924 0.235) 3.106 5.310 ( -3.405 -2.845 -4.207) 6.115 5.593 ( -0.136 -0.194 -0.109) 0.261 5.793 ( 0.062 -0.178 1.100) 1.116 5.900 ( 7.790 0.717 8.626) 11.645 6.479 ( -5.426 0.848 -9.618) 11.075 6.867 ( 2.048 1.720 2.637) 3.756 8.196 ( 0.090 -1.733 0.100) 1.738 8.291 ( 0.138 -0.714 0.087) 0.733 9.227 ( -0.171 0.117 -0.246) 0.321 9.344 ( 0.413 -0.990 0.262) 1.104 10.169 ( -0.005 0.085 -0.173) 0.193 10.203 ( 0.711 0.223 0.695) 1.019 10.943 ( -0.485 0.179 -0.381) 0.642 11.008 ( -0.597 0.065 -0.256) 0.653 11.445 ( -1.157 -1.294 -1.693) 2.424 11.568 ( 1.069 -0.736 1.251) 1.803 14.620 ( 0.193 -0.011 0.371) 0.418 14.648 ( 0.275 0.213 0.410) 0.538 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -7.786 8.479 -1.409) 11.598 1.152 ( -2.367 5.973 5.157) 8.239 1.580 ( 3.027 -5.978 -7.488) 10.049 1.819 ( -12.223 18.418 -3.942) 22.454 1.922 ( -1.325 6.329 -3.366) 7.290 2.015 ( 1.215 7.625 1.728) 7.913 2.173 ( 1.989 -3.455 -1.100) 4.135 2.472 ( 5.600 2.705 2.313) 6.635 2.563 ( -3.415 -2.269 1.858) 4.502 2.729 ( 6.410 -4.820 -4.296) 9.098 2.802 ( -5.038 -1.826 7.401) 9.137 2.991 ( 3.843 0.790 1.310) 4.136 3.016 ( 1.728 3.131 6.738) 7.628 3.181 ( -2.648 10.079 -1.183) 10.488 3.238 ( -1.651 1.006 -1.128) 2.239 3.359 ( 1.331 -1.057 0.591) 1.799 3.575 ( -2.956 2.980 -4.437) 6.108 3.726 ( -0.065 -3.343 5.634) 6.552 3.746 ( 1.626 -4.247 -3.549) 5.769 3.841 ( 0.992 2.687 -0.575) 2.921 3.961 ( -4.568 -1.198 -7.968) 9.262 4.097 ( 3.527 -0.810 0.536) 3.658 4.321 ( 3.217 -4.207 -1.633) 5.542 4.495 ( -5.531 -2.864 0.105) 6.230 4.527 ( -2.361 3.565 -0.559) 4.312 4.663 ( 2.713 0.684 0.763) 2.900 4.765 ( -0.123 1.406 4.237) 4.466 4.902 ( 1.019 -2.493 0.805) 2.811 4.957 ( -3.389 1.341 -1.174) 3.829 5.174 ( 1.470 -5.035 0.758) 5.300 5.338 ( -0.424 -1.832 -1.345) 2.312 5.589 ( 0.457 0.782 -0.377) 0.981 5.840 ( 2.168 -4.252 4.396) 6.489 5.962 ( 2.821 1.603 2.892) 4.346 6.397 ( -1.969 -0.207 -5.099) 5.470 6.819 ( 0.112 5.752 0.119) 5.754 8.236 ( 0.189 -2.220 0.233) 2.240 8.330 ( 0.056 -3.604 -0.116) 3.607 9.224 ( -0.030 -0.057 -0.142) 0.156 9.372 ( 0.343 -1.483 0.234) 1.540 10.160 ( 0.076 0.879 -0.051) 0.884 10.205 ( 0.741 0.718 0.585) 1.186 10.936 ( -0.350 -0.013 -0.231) 0.420 11.005 ( -0.606 -0.498 -0.173) 0.803 11.460 ( -0.691 -1.955 -0.946) 2.280 11.603 ( 0.611 -1.669 0.514) 1.850 14.623 ( 0.089 -0.002 0.231) 0.248 14.647 ( 0.156 0.276 0.271) 0.417 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -0.000 16.847 -0.000) 16.847 0.919 ( -0.000 20.857 -0.000) 20.857 1.251 ( -0.000 31.738 -0.000) 31.738 1.734 ( 0.000 -1.802 0.000) 1.802 1.801 ( 0.000 -2.199 0.000) 2.199 2.127 ( 0.000 -12.213 0.000) 12.213 2.193 ( -0.000 1.751 -0.000) 1.751 2.421 ( -0.000 2.487 -0.000) 2.487 2.612 ( 0.000 -0.886 0.000) 0.886 2.674 ( -0.000 11.875 -0.000) 11.875 2.859 ( 0.000 -3.597 0.000) 3.597 3.022 ( 0.000 -2.131 0.000) 2.131 3.037 ( 0.000 -2.110 0.000) 2.110 3.087 ( 0.000 -1.230 0.000) 1.230 3.201 ( -0.000 0.029 -0.000) 0.029 3.397 ( -0.000 12.859 -0.000) 12.859 3.439 ( 0.000 -4.670 0.000) 4.670 3.711 ( -0.000 3.805 -0.000) 3.805 3.825 ( 0.000 -4.124 0.000) 4.124 3.849 ( 0.000 -1.273 0.000) 1.273 3.906 ( -0.000 0.589 -0.000) 0.589 4.238 ( 0.000 -10.059 0.000) 10.059 4.413 ( -0.000 6.364 -0.000) 6.364 4.419 ( 0.000 -4.906 0.000) 4.906 4.536 ( 0.000 -4.111 0.000) 4.111 4.635 ( -0.000 4.098 -0.000) 4.098 4.752 ( -0.000 0.697 -0.000) 0.697 4.897 ( -0.000 2.342 -0.000) 2.342 4.950 ( 0.000 -1.516 0.000) 1.516 5.242 ( 0.000 -1.649 0.000) 1.649 5.332 ( -0.000 1.475 -0.000) 1.475 5.566 ( -0.000 1.683 -0.000) 1.683 5.961 ( 0.000 -1.612 0.000) 1.612 6.011 ( 0.000 -9.644 0.000) 9.644 6.389 ( 0.000 -0.046 0.000) 0.046 6.680 ( -0.000 9.253 -0.000) 9.253 8.274 ( 0.000 -2.004 0.000) 2.004 8.404 ( 0.000 -4.383 0.000) 4.383 9.226 ( 0.000 -0.091 0.000) 0.091 9.401 ( 0.000 -1.496 0.000) 1.496 10.142 ( -0.000 1.099 -0.000) 1.099 10.197 ( -0.000 0.840 -0.000) 0.840 10.936 ( 0.000 -0.216 0.000) 0.216 11.012 ( 0.000 -0.705 0.000) 0.705 11.487 ( 0.000 -1.691 0.000) 1.691 11.638 ( 0.000 -1.806 0.000) 1.806 14.624 ( -0.000 0.077 -0.000) 0.077 14.644 ( -0.000 0.193 -0.000) 0.193 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 3.670 0.000 5.202) 6.366 0.960 ( 15.694 0.000 15.173) 21.829 1.502 ( -2.569 -0.000 -10.050) 10.373 1.658 ( 7.984 0.000 -9.966) 12.769 2.065 ( 0.017 0.000 -3.162) 3.162 2.268 ( 20.390 0.000 18.362) 27.439 2.435 ( 11.246 0.000 8.691) 14.213 2.491 ( 1.178 0.000 -5.229) 5.360 2.527 ( 7.749 0.000 -8.081) 11.196 2.699 ( 5.091 0.000 -5.022) 7.151 2.758 ( -4.885 -0.000 -2.769) 5.616 2.822 ( -1.194 -0.000 1.842) 2.195 3.028 ( -0.024 -0.000 -2.812) 2.812 3.140 ( -3.059 -0.000 4.656) 5.571 3.152 ( 3.648 0.000 -0.179) 3.653 3.485 ( 0.947 0.000 -3.680) 3.800 3.519 ( -1.048 -0.000 -2.616) 2.818 3.617 ( 5.696 0.000 11.489) 12.824 3.733 ( -0.322 -0.000 1.164) 1.208 3.925 ( 2.721 0.000 -7.432) 7.915 4.003 ( -7.283 -0.000 8.048) 10.854 4.039 ( 0.438 0.000 0.588) 0.733 4.371 ( -5.182 -0.000 -4.095) 6.604 4.413 ( -3.103 -0.000 4.877) 5.780 4.469 ( -6.236 -0.000 -7.950) 10.104 4.531 ( -8.627 -0.000 -6.496) 10.799 4.774 ( 7.023 0.000 -5.124) 8.693 4.984 ( -4.295 -0.000 -0.744) 4.359 5.064 ( 3.622 0.000 -0.426) 3.647 5.107 ( 5.590 0.000 10.629) 12.009 5.295 ( 2.045 0.000 4.570) 5.007 5.716 ( 2.922 0.000 -6.097) 6.761 5.875 ( 1.889 0.000 8.675) 8.878 6.059 ( -7.484 -0.000 -8.127) 11.048 6.400 ( -0.148 -0.000 -1.331) 1.339 6.609 ( -3.279 -0.000 3.249) 4.616 8.313 ( -0.129 -0.000 0.406) 0.426 8.480 ( -0.556 -0.000 0.136) 0.572 9.232 ( 0.815 0.000 1.303) 1.536 9.393 ( -1.234 -0.000 -0.870) 1.510 10.085 ( -0.025 -0.000 -0.357) 0.358 10.109 ( -0.278 -0.000 0.295) 0.405 10.961 ( 0.242 0.000 -0.222) 0.328 11.052 ( 0.467 0.000 0.710) 0.850 11.599 ( -2.403 -0.000 -2.631) 3.563 11.626 ( 0.641 0.000 1.641) 1.762 14.622 ( -0.112 -0.000 -0.582) 0.592 14.631 ( 0.516 0.000 0.385) 0.644 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -2.346 -18.609 -2.869) 18.975 1.251 ( 10.401 -6.671 10.244) 16.051 1.508 ( 9.256 -4.641 -5.178) 11.577 1.738 ( 8.471 -3.520 -4.179) 10.080 1.981 ( -0.816 4.817 -3.530) 6.027 2.292 ( 1.535 10.071 0.879) 10.225 2.411 ( 3.885 9.160 -9.868) 14.014 2.499 ( -5.366 -8.419 -1.955) 10.174 2.641 ( 5.303 -2.659 -2.931) 6.617 2.672 ( 0.788 3.765 -2.420) 4.545 2.780 ( -5.821 -2.967 3.538) 7.430 2.972 ( 15.720 2.548 10.861) 19.276 3.009 ( 8.497 -0.454 3.543) 9.217 3.148 ( 3.198 0.248 -1.405) 3.502 3.205 ( 5.335 -2.265 1.691) 6.038 3.488 ( -0.900 -1.746 -0.639) 2.066 3.543 ( -2.114 -4.910 -2.046) 5.724 3.619 ( 6.856 4.906 3.558) 9.150 3.735 ( -5.071 5.850 3.046) 8.320 3.880 ( 0.847 -1.348 -0.622) 1.709 3.982 ( -3.478 -0.105 6.106) 7.028 4.180 ( -4.891 -8.311 -1.588) 9.773 4.305 ( -4.816 -2.796 -3.843) 6.766 4.361 ( -4.587 -0.476 -1.916) 4.994 4.420 ( -3.017 -0.257 -2.706) 4.061 4.493 ( -4.702 -5.360 -2.466) 7.545 4.774 ( 4.979 3.802 -4.465) 7.693 4.949 ( -2.657 -0.643 -2.673) 3.823 5.077 ( 1.097 2.781 2.406) 3.838 5.125 ( 2.718 3.632 3.984) 6.038 5.402 ( 2.215 -4.093 6.296) 7.830 5.695 ( 1.968 1.886 -3.983) 4.826 5.839 ( -3.918 8.289 -5.265) 10.572 5.928 ( 1.189 2.475 5.826) 6.441 6.452 ( -1.016 -5.944 -2.100) 6.386 6.612 ( -2.166 -1.951 1.291) 3.188 8.297 ( -0.179 1.786 0.285) 1.817 8.455 ( -0.364 2.311 0.278) 2.356 9.246 ( 0.812 0.172 1.236) 1.489 9.370 ( -1.137 0.745 -0.726) 1.541 10.095 ( -0.011 -1.120 -0.317) 1.164 10.119 ( -0.071 -1.061 0.664) 1.253 10.960 ( 0.312 0.106 -0.625) 0.707 11.058 ( 0.336 0.166 0.334) 0.502 11.554 ( -2.596 0.871 -2.760) 3.887 11.622 ( 0.633 1.747 1.645) 2.481 14.619 ( 0.055 0.061 -0.332) 0.342 14.639 ( 0.593 -0.061 0.517) 0.789 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -8.213 -18.155 -5.030) 20.551 1.439 ( 13.897 -3.547 0.349) 14.347 1.735 ( 8.367 -2.112 -0.208) 8.632 1.848 ( 4.151 -1.462 3.931) 5.901 1.903 ( 0.071 1.955 -2.066) 2.846 2.166 ( 1.908 1.251 -0.326) 2.305 2.207 ( 2.753 7.156 -9.379) 12.114 2.455 ( -0.316 7.438 -7.676) 10.693 2.645 ( -2.394 -0.034 2.129) 3.204 2.774 ( -3.192 -4.561 7.573) 9.399 2.824 ( 1.185 -9.729 -0.077) 9.802 2.964 ( 2.825 1.349 -2.891) 4.261 3.036 ( 2.471 5.597 0.117) 6.119 3.202 ( 6.150 2.995 -1.671) 7.042 3.387 ( 8.305 -1.916 4.535) 9.654 3.532 ( -0.581 -0.063 1.670) 1.769 3.551 ( -2.472 1.912 3.692) 4.837 3.618 ( -0.016 -3.216 -2.096) 3.839 3.668 ( 4.121 1.756 3.151) 5.476 3.837 ( -2.767 2.226 2.566) 4.381 3.979 ( -4.867 -0.837 2.360) 5.473 4.169 ( -5.145 -3.087 -6.975) 9.201 4.265 ( -9.901 -2.863 -7.101) 12.517 4.387 ( 1.087 0.858 6.021) 6.178 4.499 ( 5.334 -6.499 2.602) 8.801 4.536 ( -3.123 -3.788 -4.362) 6.567 4.722 ( 2.137 2.177 -1.171) 3.268 4.926 ( -0.500 0.536 -2.033) 2.161 5.005 ( -0.394 5.965 3.049) 6.711 5.110 ( -0.064 0.983 -0.918) 1.347 5.498 ( 2.639 -1.748 5.376) 6.238 5.655 ( -2.634 6.873 -3.429) 8.120 5.661 ( 1.668 1.777 -2.548) 3.526 5.940 ( 2.383 1.520 5.677) 6.342 6.503 ( -4.967 -4.223 -6.375) 9.118 6.677 ( 1.761 -4.883 3.294) 6.148 8.254 ( -0.266 2.826 -0.074) 2.840 8.403 ( 0.009 3.440 0.529) 3.481 9.250 ( 0.486 0.611 0.752) 1.083 9.344 ( -0.708 0.778 -0.397) 1.124 10.116 ( -0.058 -1.451 -0.331) 1.490 10.147 ( 0.151 -1.614 0.869) 1.839 10.957 ( 0.123 0.141 -0.664) 0.690 11.053 ( 0.174 0.742 -0.163) 0.779 11.496 ( -2.379 1.488 -2.471) 3.739 11.602 ( 0.692 2.030 1.533) 2.636 14.618 ( 0.197 0.030 -0.016) 0.200 14.648 ( 0.554 0.030 0.559) 0.787 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -9.137 -1.332 -7.107) 11.652 1.617 ( 7.554 4.751 -4.498) 9.993 1.698 ( -0.146 6.720 6.812) 9.570 1.721 ( 7.346 0.108 -1.283) 7.458 2.053 ( -0.846 -6.918 1.915) 7.227 2.142 ( 11.329 4.860 -5.687) 13.576 2.300 ( 1.581 -8.477 -0.465) 8.635 2.330 ( -4.040 -1.604 -3.047) 5.308 2.613 ( -1.315 2.792 6.531) 7.224 2.739 ( -7.974 4.501 -3.302) 9.733 2.976 ( 5.380 -1.285 0.355) 5.543 2.997 ( 3.524 -4.156 0.524) 5.474 3.079 ( 0.095 -3.446 1.177) 3.643 3.161 ( 6.070 1.496 -2.348) 6.678 3.301 ( -7.284 7.034 0.446) 10.136 3.436 ( -1.556 3.359 -0.242) 3.710 3.620 ( 3.135 0.399 1.213) 3.385 3.645 ( -3.295 -0.495 0.161) 3.336 3.725 ( 2.902 -2.764 -3.958) 5.633 3.811 ( -2.243 0.941 2.056) 3.185 3.982 ( 0.068 0.325 8.997) 9.003 4.168 ( -1.617 -3.512 -4.435) 5.884 4.201 ( -5.260 -1.876 -4.608) 7.241 4.392 ( -2.128 1.230 0.727) 2.563 4.519 ( 1.486 -2.388 -5.999) 6.626 4.653 ( 1.825 -4.557 4.834) 6.890 4.751 ( 2.725 0.611 3.764) 4.687 4.886 ( 1.077 4.322 4.435) 6.286 4.964 ( 0.088 -2.481 -3.869) 4.597 5.076 ( -1.305 1.573 -0.960) 2.258 5.452 ( -4.555 9.227 -3.054) 10.734 5.582 ( 1.942 0.044 2.497) 3.164 5.679 ( 2.675 -3.465 -0.639) 4.424 5.974 ( 3.648 1.265 7.045) 8.033 6.461 ( -6.216 -1.814 -8.833) 10.952 6.806 ( 2.324 -4.861 3.031) 6.182 8.203 ( -0.259 2.252 -0.274) 2.284 8.348 ( 0.245 3.199 0.570) 3.258 9.242 ( 0.022 0.784 0.154) 0.799 9.331 ( -0.122 0.192 -0.041) 0.232 10.140 ( -0.051 -1.445 -0.215) 1.462 10.180 ( 0.270 -1.403 0.681) 1.583 10.951 ( -0.170 0.231 -0.532) 0.605 11.035 ( -0.032 1.141 -0.360) 1.197 11.443 ( -1.615 1.074 -1.785) 2.636 11.584 ( 0.646 1.454 1.206) 1.996 14.621 ( 0.240 0.004 0.209) 0.318 14.653 ( 0.421 0.128 0.486) 0.655 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -5.349 4.449 -5.473) 8.852 1.464 ( -1.143 10.164 -0.578) 10.244 1.590 ( 2.729 7.985 -0.319) 8.444 1.920 ( 9.935 -7.121 0.068) 12.224 2.120 ( -6.619 -2.787 5.374) 8.970 2.176 ( 5.585 -0.520 -6.524) 8.604 2.336 ( -4.469 -0.753 3.143) 5.516 2.377 ( 4.561 2.318 -2.466) 5.680 2.534 ( -11.268 2.820 -2.858) 11.961 2.640 ( 2.393 -1.597 4.032) 4.953 2.944 ( 1.501 7.626 -4.055) 8.767 3.070 ( 7.304 3.623 2.594) 8.556 3.083 ( -0.363 0.734 2.511) 2.641 3.202 ( 0.001 -1.034 4.182) 4.308 3.297 ( 2.829 -6.940 -0.208) 7.497 3.413 ( -1.089 -2.668 -0.474) 2.920 3.504 ( -10.998 3.044 -6.661) 13.213 3.637 ( 1.065 0.415 0.515) 1.254 3.748 ( 4.764 3.808 -2.863) 6.737 3.798 ( -1.866 -0.885 0.411) 2.106 4.012 ( -1.271 -0.629 3.134) 3.440 4.119 ( -2.716 3.397 -1.534) 4.612 4.256 ( 3.167 -4.175 2.153) 5.665 4.394 ( -2.560 -4.754 -4.429) 6.983 4.586 ( 2.028 -3.488 1.000) 4.156 4.698 ( 0.252 3.377 1.171) 3.583 4.779 ( 1.501 -0.684 5.572) 5.811 4.869 ( 1.551 1.781 0.994) 2.562 5.013 ( -0.363 -2.391 -0.802) 2.548 5.029 ( -0.441 0.862 -1.807) 2.050 5.249 ( -3.983 4.237 -2.984) 6.536 5.590 ( 0.230 0.184 0.278) 0.404 5.769 ( 0.974 -2.996 0.077) 3.151 6.037 ( 5.583 1.191 8.359) 10.123 6.381 ( -5.389 -0.617 -8.530) 10.108 6.894 ( 1.211 -1.706 1.505) 2.577 8.179 ( -0.102 0.077 -0.146) 0.194 8.307 ( 0.170 1.901 0.280) 1.929 9.229 ( -0.111 0.490 -0.088) 0.510 9.334 ( 0.128 -0.537 0.084) 0.558 10.160 ( -0.011 -0.918 -0.085) 0.922 10.205 ( 0.261 -0.779 0.361) 0.897 10.942 ( -0.236 0.281 -0.298) 0.473 11.013 ( -0.178 0.986 -0.217) 1.025 11.417 ( -0.724 -0.156 -0.920) 1.181 11.577 ( 0.441 0.390 0.656) 0.881 14.624 ( 0.151 0.012 0.207) 0.256 14.655 ( 0.219 0.195 0.285) 0.409 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 -5.101 0.000) 5.101 1.265 ( -0.000 10.143 -0.000) 10.143 1.515 ( -0.000 0.943 -0.000) 0.943 2.032 ( -0.000 7.635 -0.000) 7.635 2.053 ( -0.000 12.072 -0.000) 12.072 2.111 ( 0.000 -4.797 0.000) 4.797 2.227 ( -0.000 11.910 -0.000) 11.910 2.428 ( 0.000 -6.617 0.000) 6.617 2.496 ( 0.000 -3.990 0.000) 3.990 2.722 ( 0.000 -4.187 0.000) 4.187 2.808 ( -0.000 7.027 -0.000) 7.027 3.004 ( -0.000 2.685 -0.000) 2.685 3.151 ( -0.000 5.784 -0.000) 5.784 3.169 ( 0.000 -3.391 0.000) 3.391 3.361 ( -0.000 1.254 -0.000) 1.254 3.385 ( -0.000 4.785 -0.000) 4.785 3.542 ( 0.000 -6.440 0.000) 6.440 3.658 ( -0.000 0.283 -0.000) 0.283 3.663 ( 0.000 -3.135 0.000) 3.135 3.821 ( 0.000 -1.807 0.000) 1.807 3.974 ( -0.000 4.729 -0.000) 4.729 4.098 ( 0.000 -2.294 0.000) 2.294 4.359 ( -0.000 4.005 -0.000) 4.005 4.375 ( 0.000 -4.803 0.000) 4.803 4.617 ( -0.000 5.544 -0.000) 5.544 4.657 ( 0.000 -2.436 0.000) 2.436 4.811 ( -0.000 0.958 -0.000) 0.958 4.856 ( 0.000 -1.725 0.000) 1.725 4.972 ( -0.000 2.312 -0.000) 2.312 5.092 ( 0.000 -5.104 0.000) 5.104 5.257 ( 0.000 -5.402 0.000) 5.402 5.593 ( 0.000 -0.255 0.000) 0.255 5.802 ( 0.000 -1.460 0.000) 1.460 6.052 ( -0.000 3.741 -0.000) 3.741 6.347 ( 0.000 -1.627 0.000) 1.627 6.897 ( -0.000 2.455 -0.000) 2.455 8.198 ( 0.000 -2.070 0.000) 2.070 8.294 ( 0.000 -0.472 0.000) 0.472 9.224 ( -0.000 0.085 -0.000) 0.085 9.350 ( 0.000 -1.146 0.000) 1.146 10.168 ( -0.000 0.025 -0.000) 0.025 10.214 ( 0.000 -0.058 0.000) 0.058 10.936 ( -0.000 0.220 -0.000) 0.220 11.000 ( -0.000 0.276 -0.000) 0.276 11.425 ( 0.000 -1.330 0.000) 1.330 11.584 ( 0.000 -0.797 0.000) 0.797 14.625 ( -0.000 0.012 -0.000) 0.012 14.653 ( -0.000 0.257 -0.000) 0.257 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -9.682 -0.000 -3.467) 10.285 1.349 ( 14.010 0.000 8.901) 16.598 1.546 ( 9.888 0.000 0.661) 9.910 1.797 ( 12.072 0.000 -2.669) 12.364 2.058 ( 3.929 0.000 -6.987) 8.016 2.216 ( -7.938 -0.000 -5.269) 9.527 2.368 ( -8.159 -0.000 -8.609) 11.861 2.475 ( -3.981 -0.000 -8.829) 9.685 2.634 ( -2.055 -0.000 -2.548) 3.274 2.766 ( 6.067 0.000 -1.184) 6.181 2.766 ( 8.137 0.000 13.712) 15.944 2.991 ( -1.066 -0.000 -2.151) 2.401 3.174 ( 1.361 0.000 -1.683) 2.165 3.182 ( 3.577 0.000 1.535) 3.892 3.357 ( 22.591 0.000 12.792) 25.961 3.459 ( -1.967 -0.000 -0.896) 2.161 3.491 ( 2.223 0.000 3.368) 4.035 3.733 ( 0.215 0.000 -0.805) 0.833 3.781 ( 2.914 0.000 3.281) 4.388 3.875 ( 0.590 0.000 0.980) 1.144 4.008 ( -9.785 -0.000 -2.593) 10.122 4.014 ( -1.536 -0.000 4.681) 4.927 4.138 ( -9.044 -0.000 -6.896) 11.373 4.245 ( -6.069 -0.000 -9.326) 11.127 4.420 ( -0.782 -0.000 4.343) 4.413 4.457 ( 2.935 0.000 2.599) 3.920 4.822 ( 1.659 0.000 -4.426) 4.726 4.919 ( -0.135 -0.000 -2.199) 2.203 5.094 ( 0.831 0.000 -0.974) 1.280 5.265 ( 1.938 0.000 6.590) 6.869 5.377 ( 0.986 0.000 5.692) 5.777 5.703 ( 0.619 0.000 -3.253) 3.311 5.831 ( -7.864 -0.000 -8.423) 11.524 5.999 ( 3.010 0.000 7.448) 8.034 6.376 ( -0.585 -0.000 -2.412) 2.482 6.575 ( -1.961 -0.000 0.403) 2.002 8.315 ( -0.123 -0.000 0.425) 0.442 8.473 ( -0.328 -0.000 0.228) 0.399 9.263 ( 0.992 0.000 1.351) 1.676 9.363 ( -1.043 -0.000 -0.612) 1.210 10.089 ( 0.416 0.000 0.279) 0.501 10.111 ( 0.061 0.000 0.613) 0.616 10.960 ( 0.193 0.000 -0.822) 0.844 11.063 ( 0.207 0.000 0.256) 0.329 11.526 ( -2.341 -0.000 -2.648) 3.534 11.648 ( 0.168 0.000 1.110) 1.123 14.619 ( 0.128 0.000 -0.183) 0.224 14.648 ( 0.689 0.000 0.662) 0.955 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -7.340 -19.777 -4.736) 21.621 1.510 ( 9.610 -0.825 4.115) 10.486 1.745 ( 12.705 -8.203 3.938) 15.628 1.905 ( 8.187 -1.278 0.170) 8.288 1.936 ( 0.987 5.059 -2.678) 5.809 2.216 ( -5.463 2.803 -5.424) 8.193 2.272 ( -4.963 4.378 -5.884) 8.855 2.369 ( -2.388 -7.762 -8.866) 12.023 2.644 ( -1.852 -5.994 -1.100) 6.370 2.715 ( 4.802 9.794 -0.939) 10.948 2.869 ( 1.796 2.910 10.429) 10.976 2.981 ( 1.581 -0.149 -1.844) 2.433 3.132 ( -0.062 5.193 0.106) 5.194 3.276 ( 7.638 -2.063 0.511) 7.928 3.411 ( -4.372 0.654 -0.033) 4.421 3.507 ( 2.022 -3.689 0.153) 4.209 3.586 ( 4.639 0.534 4.654) 6.593 3.693 ( 3.577 5.157 0.355) 6.286 3.786 ( 2.641 7.023 4.358) 8.677 3.860 ( -3.097 -3.184 -2.694) 5.195 3.883 ( -5.750 1.315 -0.814) 5.954 4.037 ( -1.206 -3.919 -1.811) 4.482 4.072 ( -10.451 -3.972 -4.867) 12.193 4.332 ( 1.179 -10.496 -1.668) 10.693 4.457 ( 2.633 -2.948 4.202) 5.769 4.514 ( 3.325 0.590 6.750) 7.548 4.766 ( -0.269 3.284 -6.527) 7.311 4.919 ( 1.018 -0.103 -1.063) 1.475 5.091 ( -0.090 0.570 -0.833) 1.014 5.178 ( -1.040 8.805 3.272) 9.450 5.490 ( 0.982 -4.768 4.714) 6.776 5.681 ( 0.367 1.467 -4.819) 5.051 5.698 ( -4.628 2.803 -2.817) 6.100 6.033 ( 2.784 2.731 6.063) 7.209 6.378 ( -2.616 -2.222 -4.356) 5.546 6.606 ( -0.150 -4.753 0.882) 4.836 8.297 ( -0.132 2.017 0.220) 2.034 8.454 ( -0.113 2.027 0.286) 2.050 9.272 ( 0.681 0.654 0.900) 1.305 9.348 ( -0.659 0.498 -0.337) 0.892 10.099 ( 0.296 -0.578 0.184) 0.675 10.127 ( 0.179 -1.219 0.670) 1.402 10.957 ( 0.070 0.080 -0.695) 0.703 11.062 ( 0.064 0.328 -0.053) 0.338 11.487 ( -1.815 0.880 -1.996) 2.837 11.641 ( 0.139 1.271 0.796) 1.506 14.620 ( 0.175 -0.031 -0.005) 0.178 14.657 ( 0.556 0.052 0.571) 0.799 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -4.462 -16.115 -3.274) 17.039 1.637 ( 6.499 -5.222 -0.785) 8.374 1.834 ( 1.586 6.409 -1.905) 6.872 1.891 ( -1.506 7.327 7.048) 10.278 2.027 ( 9.375 1.097 2.193) 9.691 2.171 ( -5.197 -5.345 1.005) 7.522 2.188 ( 6.591 -5.189 -7.249) 11.086 2.342 ( -2.898 2.134 -7.630) 8.436 2.574 ( -4.167 6.128 0.233) 7.414 2.837 ( 0.372 5.212 4.973) 7.213 2.852 ( 1.250 -15.151 0.472) 15.210 3.004 ( 4.358 -0.157 -1.930) 4.769 3.041 ( -1.564 2.557 2.429) 3.858 3.253 ( -1.274 5.429 -2.180) 5.987 3.369 ( 2.867 3.593 -0.596) 4.635 3.522 ( -4.945 5.699 -0.337) 7.553 3.587 ( -0.434 1.363 -0.191) 1.443 3.693 ( 3.850 0.839 0.050) 3.941 3.708 ( 1.050 0.655 1.265) 1.769 3.804 ( -3.277 -1.743 1.336) 3.945 3.990 ( 2.035 -5.226 4.422) 7.141 4.041 ( -5.832 -3.527 -1.620) 7.005 4.081 ( -1.045 -5.012 -6.255) 8.084 4.448 ( 0.927 -2.955 2.595) 4.041 4.492 ( 0.527 7.723 0.448) 7.754 4.610 ( 3.151 -5.653 0.310) 6.479 4.740 ( 0.766 -4.575 0.342) 4.651 4.921 ( 0.752 0.451 -0.515) 1.017 5.015 ( -0.881 7.213 1.347) 7.390 5.079 ( -1.314 1.090 -1.223) 2.100 5.570 ( -1.011 6.143 0.119) 6.226 5.596 ( 0.510 -3.001 2.048) 3.669 5.652 ( 0.220 1.079 -2.657) 2.876 6.047 ( 2.581 0.920 4.831) 5.554 6.348 ( -3.811 -1.031 -5.391) 6.682 6.726 ( 0.847 -6.937 1.121) 7.078 8.250 ( -0.109 3.066 -0.013) 3.068 8.409 ( 0.060 3.135 0.263) 3.147 9.261 ( 0.172 1.189 0.267) 1.231 9.334 ( -0.172 0.411 -0.060) 0.450 10.116 ( 0.088 -1.145 0.010) 1.148 10.158 ( 0.146 -1.647 0.419) 1.706 10.952 ( -0.057 0.215 -0.374) 0.435 11.052 ( -0.010 0.865 -0.177) 0.883 11.446 ( -0.959 1.329 -1.024) 1.933 11.619 ( 0.176 1.635 0.496) 1.717 14.623 ( 0.136 -0.070 0.084) 0.175 14.661 ( 0.292 0.135 0.324) 0.456 ======================= Grid point 33 (23/115) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.000 0.525 -0.000) 0.525 1.652 ( -0.000 11.435 -0.000) 11.435 1.754 ( -0.000 8.886 -0.000) 8.886 1.810 ( 0.000 -9.756 0.000) 9.756 2.067 ( -0.000 0.698 -0.000) 0.698 2.157 ( 0.000 -3.274 0.000) 3.274 2.343 ( 0.000 -3.872 0.000) 3.872 2.398 ( 0.000 -4.573 0.000) 4.573 2.414 ( -0.000 3.233 -0.000) 3.233 2.742 ( -0.000 7.090 -0.000) 7.090 3.027 ( 0.000 -1.414 0.000) 1.414 3.052 ( 0.000 -1.843 0.000) 1.843 3.075 ( 0.000 -4.358 0.000) 4.358 3.212 ( 0.000 -6.925 0.000) 6.925 3.296 ( -0.000 10.990 -0.000) 10.990 3.397 ( -0.000 0.369 -0.000) 0.369 3.482 ( -0.000 5.512 -0.000) 5.512 3.675 ( -0.000 2.667 -0.000) 2.667 3.741 ( 0.000 -2.113 0.000) 2.113 3.843 ( -0.000 0.395 -0.000) 0.395 4.020 ( -0.000 0.575 -0.000) 0.575 4.116 ( 0.000 -3.566 0.000) 3.566 4.171 ( 0.000 -7.238 0.000) 7.238 4.342 ( -0.000 4.954 -0.000) 4.954 4.525 ( 0.000 -4.281 0.000) 4.281 4.698 ( 0.000 -3.269 0.000) 3.269 4.806 ( -0.000 0.506 -0.000) 0.506 4.924 ( -0.000 3.251 -0.000) 3.251 4.943 ( 0.000 -3.570 0.000) 3.570 5.049 ( -0.000 1.241 -0.000) 1.241 5.385 ( -0.000 11.939 -0.000) 11.939 5.610 ( -0.000 1.663 -0.000) 1.663 5.703 ( 0.000 -5.086 0.000) 5.086 6.085 ( 0.000 -1.142 0.000) 1.142 6.318 ( 0.000 -0.280 0.000) 0.280 6.843 ( 0.000 -5.144 0.000) 5.144 8.200 ( -0.000 2.308 -0.000) 2.308 8.354 ( -0.000 3.121 -0.000) 3.121 9.242 ( -0.000 1.041 -0.000) 1.041 9.330 ( 0.000 -0.012 0.000) 0.012 10.139 ( 0.000 -1.374 0.000) 1.374 10.187 ( 0.000 -1.436 0.000) 1.436 10.946 ( -0.000 0.305 -0.000) 0.305 11.032 ( -0.000 1.231 -0.000) 1.231 11.418 ( -0.000 0.906 -0.000) 0.906 11.595 ( -0.000 1.274 -0.000) 1.274 14.625 ( 0.000 -0.039 0.000) 0.039 14.661 ( -0.000 0.179 -0.000) 0.179 ======================= Grid point 40 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -6.523 -0.000 -3.989) 7.646 1.653 ( 9.456 0.000 5.808) 11.097 1.756 ( 7.272 0.000 3.951) 8.276 1.883 ( -0.198 -0.000 -5.193) 5.197 2.064 ( -3.453 -0.000 -0.854) 3.557 2.143 ( -6.222 -0.000 -7.233) 9.541 2.155 ( 9.221 0.000 0.215) 9.224 2.332 ( -2.871 -0.000 -3.838) 4.793 2.532 ( -5.756 -0.000 -2.535) 6.290 2.879 ( 4.941 0.000 -0.469) 4.963 2.929 ( -1.327 -0.000 2.004) 2.404 3.016 ( 4.758 0.000 2.035) 5.175 3.246 ( 1.181 0.000 0.757) 1.403 3.249 ( 2.359 0.000 6.456) 6.873 3.420 ( -2.147 -0.000 -0.102) 2.149 3.495 ( 7.254 0.000 2.959) 7.835 3.639 ( 0.513 0.000 0.357) 0.625 3.702 ( -7.367 -0.000 -8.858) 11.521 3.763 ( 3.320 0.000 -0.829) 3.422 3.770 ( -10.440 -0.000 -5.550) 11.824 3.902 ( -3.886 -0.000 -2.087) 4.411 3.978 ( -4.172 -0.000 2.033) 4.641 4.139 ( 11.931 0.000 7.794) 14.251 4.158 ( -1.196 -0.000 -1.461) 1.889 4.460 ( 0.889 0.000 1.967) 2.158 4.599 ( 4.767 0.000 6.842) 8.339 4.755 ( -1.797 -0.000 -6.741) 6.977 4.923 ( 0.555 0.000 -0.220) 0.597 5.085 ( -0.382 -0.000 -0.984) 1.056 5.305 ( -1.382 -0.000 1.830) 2.294 5.429 ( 0.162 0.000 2.452) 2.457 5.646 ( -3.262 -0.000 -4.891) 5.879 5.685 ( -0.530 -0.000 -0.483) 0.717 6.115 ( 2.330 0.000 4.158) 4.766 6.334 ( -0.982 -0.000 -2.294) 2.495 6.551 ( -0.662 -0.000 -0.102) 0.670 8.316 ( -0.065 -0.000 0.170) 0.182 8.472 ( -0.079 -0.000 0.131) 0.153 9.288 ( 0.464 0.000 0.576) 0.740 9.346 ( -0.391 -0.000 -0.188) 0.433 10.100 ( 0.274 0.000 0.274) 0.387 10.119 ( 0.104 0.000 0.332) 0.348 10.955 ( 0.038 0.000 -0.423) 0.425 11.065 ( 0.013 0.000 -0.035) 0.037 11.474 ( -0.967 -0.000 -1.097) 1.462 11.655 ( -0.031 -0.000 0.324) 0.326 14.621 ( 0.107 0.000 0.010) 0.107 14.664 ( 0.331 0.000 0.343) 0.477 ======================= Grid point 41 (25/115) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 -21.176 0.000) 21.176 1.633 ( -0.000 2.430 -0.000) 2.430 1.874 ( 0.000 -1.053 0.000) 1.053 2.002 ( 0.000 -13.638 0.000) 13.638 2.026 ( -0.000 5.912 -0.000) 5.912 2.067 ( 0.000 -2.274 0.000) 2.274 2.206 ( -0.000 1.687 -0.000) 1.687 2.266 ( -0.000 3.458 -0.000) 3.458 2.598 ( 0.000 -11.764 0.000) 11.764 2.778 ( -0.000 12.069 -0.000) 12.069 2.914 ( -0.000 1.842 -0.000) 1.842 3.038 ( -0.000 0.747 -0.000) 0.747 3.122 ( -0.000 7.387 -0.000) 7.387 3.340 ( -0.000 5.206 -0.000) 5.206 3.384 ( 0.000 -3.022 0.000) 3.022 3.578 ( -0.000 3.694 -0.000) 3.694 3.645 ( -0.000 0.491 -0.000) 0.491 3.665 ( 0.000 -5.855 0.000) 5.855 3.693 ( 0.000 -1.402 0.000) 1.402 3.770 ( -0.000 0.872 -0.000) 0.872 3.936 ( 0.000 -4.818 0.000) 4.818 3.977 ( 0.000 -1.875 0.000) 1.875 3.999 ( -0.000 4.872 -0.000) 4.872 4.393 ( 0.000 -7.401 0.000) 7.401 4.503 ( 0.000 -5.739 0.000) 5.739 4.655 ( -0.000 6.861 -0.000) 6.861 4.669 ( 0.000 -2.206 0.000) 2.206 4.928 ( 0.000 -0.203 0.000) 0.203 5.077 ( -0.000 0.353 -0.000) 0.353 5.173 ( -0.000 9.986 -0.000) 9.986 5.517 ( 0.000 -5.543 0.000) 5.543 5.622 ( -0.000 0.526 -0.000) 0.526 5.672 ( -0.000 1.103 -0.000) 1.103 6.105 ( -0.000 2.736 -0.000) 2.736 6.317 ( -0.000 0.458 -0.000) 0.458 6.610 ( 0.000 -6.238 0.000) 6.238 8.297 ( -0.000 2.098 -0.000) 2.098 8.455 ( -0.000 1.906 -0.000) 1.906 9.283 ( -0.000 0.910 -0.000) 0.910 9.340 ( -0.000 0.340 -0.000) 0.340 10.104 ( 0.000 -0.374 0.000) 0.374 10.133 ( 0.000 -1.277 0.000) 1.277 10.953 ( -0.000 0.112 -0.000) 0.112 11.062 ( -0.000 0.389 -0.000) 0.389 11.459 ( -0.000 0.872 -0.000) 0.872 11.646 ( -0.000 1.093 -0.000) 1.093 14.622 ( 0.000 -0.070 0.000) 0.070 14.665 ( -0.000 0.080 -0.000) 0.080 ======================= Grid point 83 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.752 0.000 28.322) 28.332 0.611 ( 26.320 0.000 28.497) 38.792 0.979 ( 1.954 0.000 45.308) 45.350 1.596 ( -5.040 -0.000 -2.106) 5.462 1.974 ( -15.140 -0.000 -7.941) 17.096 2.120 ( 5.138 0.000 0.562) 5.168 2.320 ( -0.269 -0.000 -3.260) 3.271 2.328 ( -13.680 -0.000 -7.646) 15.672 2.423 ( 2.805 0.000 -0.421) 2.836 2.628 ( 0.666 0.000 -9.165) 9.189 2.644 ( 12.095 0.000 8.007) 14.505 2.913 ( 2.922 0.000 -8.234) 8.737 2.945 ( -4.890 -0.000 1.158) 5.026 3.088 ( 0.169 0.000 -0.156) 0.230 3.260 ( 6.782 0.000 0.587) 6.808 3.385 ( 1.340 0.000 -10.729) 10.812 3.440 ( -4.312 -0.000 9.106) 10.076 3.535 ( 3.097 0.000 8.492) 9.040 3.886 ( -3.120 -0.000 -3.188) 4.461 3.964 ( -11.615 -0.000 -1.260) 11.683 4.027 ( 2.091 0.000 -8.072) 8.339 4.353 ( 2.830 0.000 -16.087) 16.334 4.371 ( -8.002 -0.000 -0.227) 8.006 4.486 ( 4.069 0.000 -0.579) 4.110 4.548 ( 0.466 0.000 1.928) 1.983 4.604 ( 17.559 0.000 7.090) 18.937 4.703 ( -5.038 -0.000 -1.964) 5.407 4.767 ( -3.234 -0.000 -1.791) 3.697 4.980 ( 2.459 0.000 1.754) 3.021 5.214 ( 2.514 0.000 4.049) 4.766 5.226 ( -6.524 -0.000 2.346) 6.933 5.552 ( -10.222 -0.000 -2.672) 10.566 5.824 ( 2.733 0.000 9.352) 9.743 6.286 ( -3.828 -0.000 -3.780) 5.380 6.429 ( -1.333 -0.000 1.749) 2.199 6.636 ( 13.916 0.000 -1.640) 14.012 8.329 ( -0.644 -0.000 1.553) 1.681 8.476 ( 0.801 0.000 -1.654) 1.838 9.223 ( -0.176 -0.000 1.718) 1.727 9.407 ( 0.310 0.000 -2.258) 2.279 10.095 ( -0.490 -0.000 -0.483) 0.688 10.108 ( 0.477 0.000 -0.906) 1.024 11.030 ( 0.733 0.000 0.164) 0.751 11.036 ( -1.752 -0.000 0.018) 1.752 11.545 ( 2.659 0.000 1.987) 3.320 11.668 ( -1.186 -0.000 -0.747) 1.402 14.623 ( -0.047 -0.000 0.141) 0.149 14.636 ( -0.622 -0.000 -0.143) 0.638 ======================= Grid point 84 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 5.315 4.132 25.584) 26.455 0.951 ( 12.357 -7.384 23.762) 27.783 1.519 ( 5.170 -6.736 1.288) 8.589 1.601 ( 6.812 -10.726 13.266) 18.369 1.815 ( -8.396 -5.092 3.695) 10.491 2.110 ( 9.213 8.043 4.217) 12.937 2.200 ( -10.665 -3.614 -8.607) 14.173 2.345 ( -1.077 -0.234 -2.564) 2.791 2.457 ( 2.710 -5.163 -8.009) 9.907 2.593 ( 5.553 2.081 -6.347) 8.686 2.754 ( 0.496 -0.122 3.570) 3.606 2.884 ( 0.306 1.965 -4.864) 5.255 2.991 ( -0.302 -0.921 -0.335) 1.026 3.132 ( -1.534 -7.439 -4.853) 9.014 3.273 ( 4.309 3.147 -1.237) 5.478 3.379 ( -8.133 3.401 7.155) 11.354 3.412 ( 6.538 -3.828 -8.738) 11.565 3.615 ( 0.405 0.554 3.580) 3.645 3.814 ( 2.064 -1.918 3.433) 4.441 3.857 ( -4.169 1.493 0.220) 4.434 4.043 ( -1.615 -1.631 -2.495) 3.390 4.301 ( 0.882 0.721 -12.130) 12.184 4.343 ( -2.369 -2.900 3.250) 4.958 4.508 ( 2.770 2.285 0.954) 3.715 4.546 ( -1.215 -0.187 -0.123) 1.235 4.624 ( -2.007 0.739 -2.505) 3.294 4.699 ( -0.391 0.766 0.377) 0.939 4.848 ( 6.489 -2.628 -2.480) 7.427 4.997 ( 3.174 2.020 2.548) 4.544 5.219 ( -4.786 -4.297 -5.395) 8.395 5.334 ( 1.764 -5.349 6.608) 8.682 5.527 ( -1.246 -2.179 -1.568) 2.960 5.857 ( 2.088 2.900 5.097) 6.225 6.054 ( -6.217 14.358 -4.371) 16.245 6.458 ( 0.516 -3.076 4.368) 5.368 6.705 ( 1.550 -1.529 -0.838) 2.333 8.316 ( -0.738 1.581 1.373) 2.220 8.451 ( 0.692 2.606 -1.604) 3.137 9.235 ( -0.101 -0.245 1.527) 1.550 9.390 ( 0.080 0.850 -2.446) 2.591 10.111 ( -0.721 -1.715 -1.283) 2.260 10.120 ( 0.341 -1.478 -0.957) 1.794 10.987 ( -1.967 1.869 1.469) 3.086 11.034 ( 1.018 0.624 0.258) 1.222 11.566 ( 2.397 1.597 2.326) 3.703 11.646 ( -1.859 0.672 -1.358) 2.398 14.623 ( -0.080 0.064 0.173) 0.201 14.632 ( -0.437 -0.212 -0.241) 0.542 ======================= Grid point 85 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 10.057 -7.217 8.849) 15.216 1.271 ( 13.789 -3.245 8.819) 16.687 1.452 ( -7.127 -5.360 -9.755) 13.216 1.775 ( -0.625 -9.828 -1.294) 9.933 2.002 ( 5.382 9.133 5.820) 12.093 2.127 ( -12.218 -2.714 -7.803) 14.749 2.258 ( -4.409 -2.033 3.700) 6.104 2.331 ( 19.118 -6.723 16.648) 26.227 2.502 ( -0.683 -0.184 -2.428) 2.529 2.616 ( 6.778 -2.979 -9.661) 12.172 2.752 ( 0.706 3.955 0.547) 4.054 2.872 ( 2.468 -0.458 0.374) 2.538 2.998 ( -2.601 -5.753 0.200) 6.317 3.099 ( 1.537 1.620 -3.784) 4.394 3.273 ( -7.756 2.000 8.966) 12.023 3.371 ( 4.091 -4.337 -1.265) 6.095 3.518 ( 6.113 -6.205 -10.880) 13.938 3.610 ( -1.862 -0.652 2.366) 3.081 3.829 ( 1.437 1.173 -0.322) 1.882 3.905 ( -4.411 -0.793 6.764) 8.114 4.042 ( 3.671 0.857 -5.566) 6.722 4.245 ( 0.695 1.112 0.164) 1.321 4.408 ( -0.242 -3.354 2.536) 4.211 4.430 ( -5.189 4.134 -2.222) 6.997 4.537 ( 2.729 0.648 -3.878) 4.786 4.606 ( 0.178 -0.161 -2.319) 2.331 4.677 ( -5.056 -1.892 -0.931) 5.478 4.880 ( 4.326 4.045 -0.442) 5.939 5.013 ( 2.549 -0.773 1.429) 3.023 5.168 ( -4.693 1.803 -7.342) 8.899 5.439 ( 1.619 0.112 8.001) 8.164 5.557 ( -0.570 -2.493 -0.952) 2.729 5.772 ( -4.080 8.088 -3.070) 9.565 5.850 ( 2.591 1.735 0.594) 3.174 6.562 ( 1.407 -4.537 5.872) 7.552 6.725 ( -2.515 -2.048 -2.171) 3.903 8.276 ( -0.876 2.646 0.891) 2.926 8.391 ( 0.720 3.926 -1.229) 4.176 9.242 ( -0.033 0.153 1.384) 1.393 9.360 ( -0.032 1.173 -2.295) 2.578 10.129 ( -0.631 -1.790 -1.040) 2.164 10.147 ( 0.067 -1.621 -0.348) 1.659 10.961 ( -0.607 0.633 0.963) 1.303 11.030 ( 1.061 1.012 -0.082) 1.469 11.563 ( 1.588 2.116 2.746) 3.813 11.595 ( -2.516 1.836 -1.741) 3.568 14.620 ( -0.289 0.093 0.121) 0.326 14.634 ( 0.064 -0.229 0.051) 0.244 ======================= Grid point 86 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 12.577 -6.754 3.631) 14.730 1.397 ( 5.584 -3.597 -11.166) 12.993 1.525 ( -2.502 -1.724 6.337) 7.028 1.819 ( 4.148 5.687 -2.730) 7.550 1.914 ( -12.332 1.052 -9.242) 15.446 2.095 ( 3.711 -9.098 3.213) 10.338 2.220 ( -2.587 -0.650 1.472) 3.047 2.461 ( -6.220 0.177 -1.327) 6.362 2.615 ( 6.346 -1.072 5.356) 8.373 2.677 ( 7.936 2.521 -4.663) 9.543 2.799 ( 9.562 -4.202 1.530) 10.556 2.871 ( 0.443 -4.221 3.844) 5.726 3.055 ( -6.332 0.887 3.372) 7.228 3.127 ( 4.624 -0.393 3.500) 5.812 3.373 ( 2.074 -7.478 8.158) 11.259 3.434 ( 0.556 -3.158 0.275) 3.218 3.600 ( -0.163 -1.801 -11.875) 12.012 3.612 ( 0.748 -1.639 -3.162) 3.639 3.734 ( -5.041 7.481 0.825) 9.058 3.922 ( -0.753 -2.427 6.979) 7.427 3.977 ( 1.983 4.552 -4.919) 6.989 4.259 ( 1.126 3.744 -5.039) 6.378 4.304 ( -4.589 -1.755 -0.908) 4.996 4.468 ( -1.332 -3.414 -4.247) 5.609 4.518 ( -1.210 0.873 -1.095) 1.851 4.596 ( 2.951 2.169 0.357) 3.680 4.691 ( -1.021 -3.338 0.979) 3.625 4.823 ( 1.590 5.445 4.173) 7.042 5.052 ( -3.105 0.368 -2.935) 4.288 5.073 ( 1.412 -0.218 0.433) 1.493 5.468 ( 3.000 0.514 5.031) 5.880 5.572 ( 0.629 1.251 -2.316) 2.706 5.639 ( -4.746 1.463 -2.207) 5.435 5.861 ( 3.402 1.607 1.668) 4.116 6.671 ( -2.706 -3.789 -1.480) 4.886 6.722 ( 0.138 -2.016 2.376) 3.119 8.225 ( -0.886 2.345 0.408) 2.540 8.328 ( 0.852 3.419 -0.698) 3.592 9.243 ( -0.086 0.306 1.021) 1.070 9.330 ( 0.095 0.913 -1.919) 2.127 10.149 ( -0.566 -1.558 -0.824) 1.851 10.173 ( 0.248 -1.137 0.354) 1.217 10.957 ( -0.169 -0.000 0.586) 0.610 11.020 ( 0.819 0.869 -0.534) 1.308 11.527 ( -2.486 1.932 -1.690) 3.574 11.554 ( 1.060 1.798 2.415) 3.192 14.618 ( -0.148 -0.009 0.397) 0.424 14.639 ( 0.247 -0.096 0.241) 0.358 ======================= Grid point 87 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -5.102 3.022 -5.881) 8.352 1.396 ( 4.514 -5.980 -1.480) 7.637 1.473 ( 3.878 3.402 -3.061) 5.999 1.706 ( -7.595 4.904 -2.657) 9.423 1.940 ( 4.908 -11.095 -0.249) 12.135 2.249 ( 1.774 -1.681 4.937) 5.508 2.277 ( 3.999 0.230 -1.179) 4.175 2.388 ( -4.297 -0.009 -3.645) 5.635 2.626 ( 4.368 -0.756 -3.113) 5.416 2.761 ( 1.950 -5.244 4.800) 7.372 2.848 ( -6.493 4.874 -1.629) 8.281 2.982 ( 3.261 -0.709 3.471) 4.815 3.101 ( 5.127 -6.752 2.686) 8.894 3.159 ( -0.255 1.517 5.001) 5.232 3.362 ( -6.306 8.437 -1.378) 10.623 3.445 ( -1.036 -0.831 -3.432) 3.681 3.566 ( 0.863 0.005 3.172) 3.287 3.594 ( -0.694 -1.423 -0.270) 1.606 3.714 ( 3.107 -2.532 -4.745) 6.211 3.871 ( -3.173 5.086 -1.549) 6.192 4.001 ( 3.725 -0.043 5.094) 6.311 4.161 ( -0.459 1.501 -11.599) 11.705 4.279 ( -6.192 0.101 -6.158) 8.733 4.476 ( 2.651 -1.309 -3.965) 4.946 4.536 ( -3.334 -4.881 2.147) 6.288 4.603 ( 5.896 2.792 4.293) 7.810 4.773 ( 3.407 4.601 7.255) 9.242 4.776 ( -0.828 -4.385 5.656) 7.204 5.025 ( -1.815 -1.153 -1.761) 2.779 5.085 ( -0.742 0.278 0.287) 0.843 5.433 ( -3.501 4.469 -4.452) 7.214 5.605 ( 1.000 -4.695 2.040) 5.216 5.616 ( 2.604 -1.562 -1.652) 3.457 5.858 ( 3.853 4.132 4.705) 7.352 6.610 ( -6.991 -0.001 -8.516) 11.018 6.819 ( 2.882 -1.839 5.764) 6.702 8.193 ( -0.651 0.499 0.327) 0.883 8.287 ( 0.836 1.766 -0.505) 2.018 9.239 ( -0.336 0.355 0.460) 0.671 9.316 ( 0.603 0.126 -1.406) 1.535 10.162 ( -0.286 -0.797 -0.603) 1.040 10.191 ( 0.432 -0.282 0.628) 0.813 10.958 ( -0.416 -0.114 0.364) 0.565 11.012 ( 0.344 0.228 -0.764) 0.868 11.473 ( -2.143 0.597 -1.740) 2.824 11.550 ( 1.080 0.891 2.272) 2.669 14.621 ( -0.030 -0.090 0.709) 0.716 14.644 ( 0.314 0.026 0.393) 0.504 ======================= Grid point 88 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -6.049 -5.166 -2.229) 8.261 1.348 ( -0.776 3.633 -9.482) 10.184 1.470 ( -9.258 -0.140 -1.043) 9.317 1.753 ( 8.786 -6.517 -0.285) 10.943 2.139 ( 0.692 2.474 2.258) 3.421 2.176 ( 4.735 0.876 -4.705) 6.732 2.299 ( -8.056 1.758 -5.917) 10.149 2.348 ( 2.446 0.297 6.964) 7.387 2.618 ( -4.257 5.681 -2.250) 7.447 2.747 ( 4.696 -2.779 1.041) 5.555 2.830 ( -8.082 0.347 3.466) 8.801 3.003 ( 2.839 1.321 0.576) 3.184 3.057 ( -2.436 2.626 2.875) 4.593 3.225 ( -0.980 3.697 5.188) 6.446 3.306 ( 2.113 -5.516 -0.386) 5.919 3.448 ( -1.318 4.115 1.079) 4.454 3.526 ( 2.323 -0.346 -2.998) 3.809 3.634 ( -0.010 -1.684 1.928) 2.560 3.761 ( 4.026 -0.018 -2.648) 4.819 3.784 ( -4.268 -0.771 -1.103) 4.475 3.992 ( 3.348 3.314 -6.760) 8.240 4.085 ( -3.498 1.665 -2.897) 4.837 4.193 ( -1.594 0.328 -7.486) 7.661 4.501 ( 3.185 -0.901 -4.816) 5.844 4.608 ( 3.086 1.417 6.388) 7.234 4.619 ( -2.156 -1.648 1.245) 2.986 4.807 ( 4.180 -0.749 5.964) 7.321 4.871 ( -2.244 -2.200 8.343) 8.916 5.039 ( 1.431 -2.097 -0.769) 2.652 5.065 ( -2.131 -0.165 -0.350) 2.166 5.339 ( -3.827 -1.159 -3.887) 5.577 5.593 ( -1.192 0.295 -2.518) 2.802 5.750 ( 2.962 -4.027 -2.124) 5.432 5.869 ( 6.779 2.965 10.408) 12.770 6.485 ( -6.715 1.443 -9.364) 11.613 6.867 ( 1.814 1.725 3.777) 4.531 8.203 ( -0.287 -1.794 0.670) 1.936 8.278 ( 0.712 -0.414 -0.818) 1.161 9.231 ( -0.410 0.235 0.133) 0.491 9.324 ( 1.121 -0.774 -1.080) 1.738 10.163 ( 0.078 0.273 -0.542) 0.612 10.197 ( 0.678 0.531 0.698) 1.108 10.956 ( -0.836 -0.120 0.302) 0.897 11.011 ( -0.233 -0.403 -0.786) 0.914 11.453 ( -1.418 -1.039 -1.385) 2.238 11.567 ( 0.991 -0.491 1.851) 2.157 14.626 ( -0.059 -0.105 0.817) 0.826 14.648 ( 0.263 0.126 0.463) 0.547 ======================= Grid point 89 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -4.089 10.617 -2.041) 11.559 1.298 ( -9.592 -7.554 2.014) 12.374 1.440 ( -5.276 -4.642 -5.577) 8.971 1.771 ( 0.425 4.244 -16.213) 16.764 2.054 ( -5.446 6.551 0.667) 8.545 2.066 ( -2.594 6.559 0.547) 7.074 2.184 ( -0.782 1.978 7.398) 7.698 2.406 ( 2.866 -0.095 3.417) 4.460 2.631 ( 0.239 -4.563 3.381) 5.684 2.701 ( -6.590 0.993 -0.021) 6.664 2.829 ( 2.738 0.182 2.098) 3.454 3.000 ( 1.218 5.771 -1.033) 5.987 3.008 ( -1.220 0.031 -0.582) 1.352 3.232 ( 1.848 1.338 4.431) 4.984 3.318 ( 1.644 2.471 3.861) 4.870 3.350 ( -3.589 3.032 2.321) 5.241 3.550 ( -2.123 0.185 -6.160) 6.518 3.684 ( 2.380 -2.627 -0.035) 3.545 3.769 ( 3.418 1.812 -2.863) 4.813 3.806 ( -2.131 -5.565 3.727) 7.029 3.925 ( -0.573 5.346 -8.711) 10.236 4.000 ( 1.025 -1.797 -3.384) 3.966 4.222 ( 4.240 -4.334 -2.692) 6.634 4.517 ( 3.597 0.323 -4.512) 5.779 4.565 ( -1.218 3.217 1.441) 3.729 4.645 ( -2.444 0.161 0.717) 2.552 4.858 ( -2.511 2.175 4.995) 5.999 4.904 ( 0.696 -2.871 -0.557) 3.006 5.043 ( -3.374 -0.334 0.371) 3.410 5.119 ( 3.544 -2.239 2.445) 4.853 5.351 ( -1.749 -2.544 0.353) 3.107 5.570 ( 0.068 -0.358 -2.472) 2.499 5.824 ( 2.393 -4.723 0.155) 5.297 5.946 ( 4.460 1.090 7.180) 8.522 6.375 ( -3.129 0.645 -6.156) 6.936 6.824 ( 0.192 5.690 1.342) 5.850 8.245 ( -0.253 -2.326 1.202) 2.630 8.312 ( 0.887 -3.269 -1.421) 3.673 9.227 ( -0.222 0.020 0.264) 0.345 9.350 ( 1.311 -1.357 -1.134) 2.201 10.150 ( 0.430 1.107 -0.592) 1.327 10.193 ( 0.893 1.126 0.506) 1.524 10.952 ( -1.064 -0.328 0.613) 1.271 11.013 ( -0.568 -0.671 -0.791) 1.183 11.466 ( -0.829 -2.072 -0.773) 2.361 11.601 ( 0.693 -1.552 1.311) 2.147 14.630 ( -0.190 -0.002 0.605) 0.634 14.649 ( 0.077 0.157 0.458) 0.491 ======================= Grid point 90 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -7.271 16.948 -2.070) 18.558 0.948 ( -21.839 17.878 -13.172) 31.145 1.440 ( -8.197 9.718 17.016) 21.241 1.751 ( 2.802 -4.441 -5.626) 7.696 1.841 ( -8.538 2.415 1.557) 9.009 2.081 ( 5.328 -4.680 0.191) 7.094 2.255 ( 2.279 -1.479 8.816) 9.225 2.401 ( -1.688 2.548 3.514) 4.657 2.595 ( -3.421 5.839 -7.809) 10.334 2.680 ( -5.564 -1.663 -2.658) 6.386 2.847 ( 4.503 1.515 2.020) 5.162 2.929 ( -1.393 -0.415 -6.761) 6.915 3.031 ( 1.218 -2.530 0.933) 2.959 3.160 ( -0.044 4.758 -2.975) 5.611 3.309 ( -5.533 -0.775 7.716) 9.526 3.336 ( 5.873 7.952 4.636) 10.919 3.472 ( -3.885 -1.260 -1.871) 4.492 3.664 ( -2.848 4.423 -6.258) 8.175 3.795 ( 1.196 0.867 -5.143) 5.351 3.824 ( 5.532 -4.399 1.928) 7.327 3.956 ( 0.732 -6.023 6.862) 9.160 4.118 ( 10.119 -4.240 1.378) 11.057 4.345 ( 3.846 -5.934 -3.287) 7.798 4.483 ( -2.478 2.038 -3.967) 5.102 4.524 ( -2.248 -0.417 -4.281) 4.853 4.585 ( -0.657 3.712 -1.464) 4.044 4.792 ( -4.326 1.536 -0.178) 4.594 4.930 ( 2.765 1.280 -2.559) 3.979 4.990 ( -4.435 1.769 -0.451) 4.796 5.183 ( 3.532 0.542 3.153) 4.766 5.358 ( -2.418 0.189 2.245) 3.304 5.591 ( 0.126 -2.136 0.710) 2.255 5.958 ( 0.993 -2.910 1.153) 3.284 6.002 ( 0.862 -7.747 -0.325) 7.802 6.352 ( 2.384 0.714 -0.030) 2.489 6.691 ( -0.927 9.048 0.289) 9.100 8.285 ( -0.435 -2.013 1.185) 2.376 8.384 ( 1.097 -4.284 -1.475) 4.662 9.227 ( -0.050 0.040 0.539) 0.543 9.381 ( 1.171 -1.455 -1.422) 2.348 10.131 ( 0.647 1.275 -0.707) 1.594 10.178 ( 0.916 1.657 -0.331) 1.922 10.956 ( -0.917 -0.725 1.449) 1.862 11.016 ( -0.462 -0.688 -0.647) 1.052 11.495 ( -0.594 -2.067 -0.059) 2.152 11.641 ( 0.280 -1.806 0.897) 2.036 14.628 ( -0.257 0.154 0.262) 0.398 14.648 ( -0.212 0.098 0.335) 0.408 ======================= Grid point 91 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( -3.746 23.333 -6.231) 24.439 0.618 ( -7.954 11.928 20.916) 25.358 1.148 ( -9.392 22.658 32.474) 40.696 1.683 ( -5.990 3.337 0.252) 6.861 1.967 ( 3.173 -10.265 -2.564) 11.046 2.162 ( -14.314 0.680 -5.334) 15.290 2.264 ( 6.529 -3.462 3.153) 8.035 2.434 ( -0.796 5.084 -0.646) 5.186 2.475 ( 7.461 -2.293 2.871) 8.317 2.565 ( -9.447 1.844 -9.933) 13.832 2.788 ( -2.456 7.086 -7.329) 10.486 2.907 ( 3.669 -1.212 -8.143) 9.013 3.022 ( -1.911 1.325 -1.090) 2.568 3.149 ( 4.513 4.301 -0.772) 6.281 3.230 ( 1.758 5.741 5.289) 8.002 3.359 ( -2.414 -4.490 5.091) 7.205 3.457 ( -2.917 0.553 -2.040) 3.603 3.540 ( 1.773 5.234 -0.116) 5.527 3.816 ( 0.557 -5.520 -4.418) 7.092 3.973 ( -0.237 -5.553 2.549) 6.114 4.075 ( -2.936 -4.561 -1.492) 5.626 4.303 ( 13.707 0.153 8.176) 15.961 4.395 ( -3.921 -0.924 -0.828) 4.113 4.421 ( 4.341 0.225 -11.735) 12.514 4.469 ( 0.390 -1.373 -2.112) 2.549 4.562 ( 0.192 -0.063 0.854) 0.877 4.744 ( -3.492 -0.142 -0.305) 3.508 4.872 ( 1.386 4.998 -3.850) 6.459 4.954 ( -0.687 -0.593 0.088) 0.911 5.201 ( 2.848 2.410 3.782) 5.312 5.325 ( -1.408 3.073 0.807) 3.475 5.646 ( -4.685 -4.184 4.730) 7.863 5.900 ( -7.748 4.682 -11.707) 14.799 6.186 ( -1.377 -12.643 -1.975) 12.871 6.373 ( 4.695 1.308 4.255) 6.470 6.564 ( 6.263 7.188 6.065) 11.300 8.316 ( -0.546 -1.322 1.292) 1.927 8.451 ( 0.989 -2.728 -1.546) 3.288 9.227 ( -0.025 0.466 0.758) 0.890 9.404 ( 0.765 -0.948 -1.840) 2.206 10.114 ( 0.696 0.862 -0.871) 1.409 10.143 ( 0.216 2.659 -1.865) 3.255 10.986 ( 0.173 -2.411 2.905) 3.779 11.022 ( -0.032 -0.535 -0.201) 0.573 11.521 ( -0.339 -1.063 0.788) 1.366 11.671 ( -0.238 -0.987 0.259) 1.048 14.624 ( -0.193 0.124 0.113) 0.256 14.644 ( -0.481 0.135 0.014) 0.500 ======================= Grid point 93 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -5.364 -0.000 34.860) 35.270 0.965 ( 7.633 0.000 24.485) 25.648 1.468 ( -0.912 -0.000 -10.462) 10.502 1.547 ( -11.137 -0.000 -9.296) 14.507 1.942 ( 33.893 0.000 30.000) 45.263 2.054 ( -6.118 -0.000 -7.157) 9.416 2.303 ( 10.431 0.000 4.711) 11.446 2.341 ( 0.560 0.000 -10.113) 10.128 2.358 ( 5.486 0.000 -7.058) 8.940 2.642 ( 0.545 0.000 -1.941) 2.016 2.804 ( -0.786 -0.000 -1.281) 1.503 2.841 ( -3.582 -0.000 -2.614) 4.434 2.957 ( 6.281 0.000 -0.517) 6.302 3.080 ( 1.270 0.000 -1.600) 2.043 3.337 ( -7.601 -0.000 -3.656) 8.435 3.359 ( 7.283 0.000 -12.138) 14.156 3.394 ( 1.664 0.000 5.548) 5.792 3.681 ( 2.440 0.000 9.569) 9.875 3.768 ( -2.311 -0.000 -4.408) 4.977 3.855 ( -2.455 -0.000 4.960) 5.534 4.001 ( 3.126 0.000 -4.195) 5.232 4.254 ( -8.385 -0.000 6.429) 10.566 4.262 ( 3.013 0.000 -14.174) 14.490 4.496 ( -5.437 -0.000 -7.879) 9.573 4.527 ( -2.779 -0.000 4.656) 5.422 4.625 ( 2.292 0.000 1.198) 2.586 4.629 ( -6.975 -0.000 -4.682) 8.401 4.933 ( 10.159 0.000 -0.058) 10.159 5.082 ( -7.018 -0.000 -3.091) 7.668 5.103 ( 6.005 0.000 7.193) 9.370 5.337 ( 3.189 0.000 8.881) 9.436 5.533 ( 5.973 0.000 -5.832) 8.348 5.958 ( 0.909 0.000 10.280) 10.320 6.126 ( -7.648 -0.000 -6.182) 9.834 6.411 ( -1.873 -0.000 0.545) 1.950 6.677 ( -1.563 -0.000 -2.811) 3.216 8.332 ( -0.692 -0.000 1.684) 1.820 8.472 ( 0.520 0.000 -1.714) 1.791 9.242 ( 0.167 0.000 2.249) 2.255 9.385 ( -0.072 -0.000 -2.654) 2.655 10.082 ( -0.233 -0.000 -0.514) 0.564 10.111 ( 0.350 0.000 -0.377) 0.515 10.988 ( -2.441 -0.000 0.847) 2.584 11.048 ( 0.707 0.000 0.541) 0.890 11.617 ( 2.239 0.000 1.570) 2.734 11.620 ( -2.448 -0.000 -1.922) 3.112 14.623 ( -0.454 -0.000 -0.204) 0.498 14.628 ( 0.341 0.000 0.479) 0.588 ======================= Grid point 94 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.349 1.880 23.583) 23.660 1.267 ( 3.727 1.137 -13.005) 13.576 1.357 ( -0.601 -9.048 17.175) 19.422 1.591 ( 2.608 -8.859 -3.656) 9.933 1.961 ( -4.817 0.235 -7.288) 8.740 2.228 ( 2.847 6.292 -9.237) 11.533 2.286 ( 5.216 3.626 9.341) 11.296 2.476 ( 8.284 -4.879 -2.942) 10.054 2.510 ( 13.508 -2.909 9.480) 16.757 2.603 ( 4.778 0.284 -0.082) 4.787 2.776 ( 2.877 -2.054 4.598) 5.800 2.827 ( 0.578 -0.931 -1.295) 1.697 2.984 ( 1.875 2.742 -3.946) 5.158 3.103 ( 0.853 -0.425 -1.634) 1.892 3.241 ( -7.594 -1.642 1.741) 7.962 3.396 ( 4.622 -2.561 -9.270) 10.670 3.434 ( 8.732 0.047 0.308) 8.737 3.646 ( -1.677 3.750 4.617) 6.180 3.836 ( 2.493 -3.416 -0.879) 4.319 3.858 ( -5.409 0.083 3.774) 6.596 4.066 ( 4.692 -0.704 -0.572) 4.779 4.204 ( -0.561 -3.394 -4.067) 5.326 4.307 ( -2.787 -6.093 -2.736) 7.237 4.384 ( -9.858 0.246 -8.584) 13.074 4.518 ( -5.677 -0.620 0.871) 5.777 4.560 ( -4.767 -2.214 -1.771) 5.546 4.644 ( 4.805 2.507 0.205) 5.424 4.971 ( 1.006 1.325 -2.225) 2.778 5.049 ( -1.184 -1.998 -3.166) 3.927 5.125 ( 3.790 5.157 5.355) 8.345 5.471 ( 2.445 -3.947 10.466) 11.449 5.555 ( 5.197 0.339 -5.232) 7.382 5.881 ( -5.162 10.031 -2.786) 11.620 5.971 ( 0.844 5.931 5.285) 7.989 6.468 ( -2.177 -6.659 0.007) 7.006 6.662 ( -2.555 -1.610 -1.740) 3.486 8.316 ( -0.771 1.935 1.473) 2.551 8.447 ( 0.529 2.354 -1.535) 2.860 9.254 ( 0.201 0.197 2.055) 2.074 9.364 ( -0.148 0.728 -2.501) 2.609 10.091 ( -0.146 -1.247 -0.591) 1.388 10.124 ( 0.249 -1.177 0.129) 1.210 10.967 ( -1.105 0.489 0.658) 1.376 11.052 ( 0.600 0.544 0.146) 0.823 11.580 ( -2.790 0.702 -2.032) 3.522 11.625 ( 1.187 1.652 1.850) 2.750 14.619 ( -0.222 0.039 0.055) 0.232 14.636 ( 0.482 -0.089 0.604) 0.778 ======================= Grid point 95 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.820 -9.455 4.507) 10.506 1.239 ( 9.632 -1.261 -7.913) 12.529 1.598 ( 1.925 -6.406 5.302) 8.535 1.771 ( 5.998 -1.137 -3.821) 7.202 1.919 ( -0.370 -3.548 1.417) 3.839 2.076 ( 2.199 7.095 -5.322) 9.137 2.207 ( -4.868 4.424 4.430) 7.931 2.448 ( -2.975 2.899 0.367) 4.170 2.671 ( 1.613 -0.990 2.247) 2.938 2.710 ( 10.109 -6.487 -4.883) 12.966 2.823 ( 1.151 -3.254 0.404) 3.475 2.891 ( 3.671 5.060 -4.837) 7.904 3.048 ( 1.901 0.514 9.588) 9.788 3.116 ( 2.104 -3.994 2.810) 5.318 3.311 ( 3.910 -6.839 8.449) 11.552 3.454 ( 5.337 -0.888 -5.127) 7.454 3.516 ( 6.866 -1.707 -4.485) 8.377 3.603 ( -1.852 1.218 1.709) 2.799 3.784 ( -7.580 3.598 2.246) 8.686 3.897 ( 1.036 -1.798 4.421) 4.884 4.016 ( 0.463 1.272 -8.755) 8.859 4.195 ( -10.954 1.828 -9.224) 14.437 4.314 ( 0.930 -1.563 -3.032) 3.535 4.366 ( -0.584 -3.596 -5.480) 6.580 4.474 ( -5.282 -1.328 0.952) 5.529 4.580 ( -0.722 -2.459 2.174) 3.361 4.671 ( 3.612 -1.968 0.541) 4.149 4.936 ( -1.050 0.848 -0.046) 1.351 5.050 ( -0.062 4.659 3.375) 5.754 5.077 ( 1.572 0.755 -2.328) 2.908 5.546 ( 1.082 1.860 7.887) 8.175 5.571 ( 2.814 -0.356 -3.083) 4.189 5.689 ( -3.039 6.811 -0.857) 7.507 5.937 ( 3.721 2.589 3.854) 5.950 6.537 ( -5.369 -4.760 -4.949) 8.716 6.690 ( 0.409 -3.907 2.353) 4.579 8.269 ( -0.841 3.064 0.942) 3.314 8.393 ( 0.729 3.463 -1.066) 3.696 9.257 ( 0.037 0.602 1.460) 1.579 9.337 ( -0.012 0.882 -2.070) 2.250 10.112 ( -0.129 -1.606 -0.554) 1.704 10.153 ( 0.221 -1.592 0.562) 1.702 10.958 ( -0.379 0.145 0.473) 0.624 11.042 ( 0.560 1.057 -0.515) 1.302 11.523 ( -2.865 1.550 -1.905) 3.774 11.609 ( 0.680 2.090 2.038) 2.998 14.619 ( -0.017 -0.035 0.395) 0.397 14.644 ( 0.531 -0.009 0.654) 0.842 ======================= Grid point 96 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -7.934 -1.554 -13.327) 15.588 1.388 ( 12.968 -3.646 1.667) 13.573 1.646 ( 6.118 8.379 3.288) 10.883 1.713 ( -0.810 1.179 -4.262) 4.496 1.896 ( 6.194 3.889 -1.504) 7.466 2.170 ( 0.821 -9.405 0.478) 9.453 2.204 ( -2.180 -5.944 3.746) 7.356 2.408 ( -0.346 1.593 1.759) 2.398 2.673 ( 1.186 2.490 0.382) 2.785 2.749 ( 2.658 1.312 -1.906) 3.524 2.885 ( 1.289 2.466 -1.839) 3.335 2.985 ( -1.420 -6.334 0.824) 6.543 3.035 ( 4.098 -4.836 5.259) 8.236 3.184 ( -1.535 0.887 4.574) 4.906 3.420 ( -3.039 3.030 -4.622) 6.306 3.441 ( 0.937 1.861 -2.187) 3.021 3.583 ( 1.206 0.473 0.267) 1.323 3.602 ( 5.800 0.650 4.020) 7.086 3.656 ( -1.745 -1.494 -1.081) 2.538 3.924 ( -6.900 4.787 -1.806) 8.590 4.019 ( 2.153 -2.872 -0.073) 3.590 4.082 ( 0.875 -3.251 -5.318) 6.294 4.252 ( -3.960 2.292 -7.733) 8.985 4.361 ( -2.342 -2.777 -7.767) 8.575 4.498 ( 0.441 -2.439 4.709) 5.322 4.680 ( 1.929 -5.958 3.389) 7.121 4.729 ( 2.563 0.798 1.708) 3.181 4.930 ( 1.726 3.828 7.391) 8.500 4.968 ( -3.205 0.533 -0.683) 3.320 5.081 ( -0.351 -0.111 -1.267) 1.319 5.505 ( -2.920 8.488 -2.954) 9.449 5.578 ( 0.059 0.089 1.243) 1.247 5.610 ( 3.918 -2.174 1.768) 4.817 5.969 ( 4.339 1.295 5.208) 6.901 6.490 ( -7.080 -1.249 -8.480) 11.118 6.804 ( 1.831 -4.851 3.617) 6.322 8.214 ( -0.747 2.461 0.504) 2.621 8.337 ( 0.831 3.164 -0.653) 3.336 9.248 ( -0.298 0.771 0.691) 1.077 9.318 ( 0.432 0.407 -1.508) 1.621 10.137 ( -0.055 -1.516 -0.420) 1.574 10.183 ( 0.213 -1.241 0.603) 1.397 10.956 ( -0.394 0.065 0.424) 0.583 11.024 ( 0.452 1.055 -0.857) 1.432 11.464 ( -2.231 1.391 -1.293) 2.930 11.590 ( 0.438 1.630 1.677) 2.379 14.623 ( 0.060 -0.088 0.655) 0.664 14.651 ( 0.452 0.093 0.590) 0.749 ======================= Grid point 97 (39/115) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -7.623 1.397 -7.727) 10.944 1.441 ( 0.560 4.694 -4.072) 6.239 1.527 ( 3.802 11.582 -0.665) 12.208 1.741 ( 9.588 -4.112 1.728) 10.575 2.031 ( 4.672 -8.924 -0.648) 10.094 2.256 ( -3.048 -1.857 -0.030) 3.569 2.322 ( 0.094 6.218 -4.494) 7.673 2.348 ( 2.546 -4.567 1.614) 5.472 2.647 ( -3.565 3.928 -0.524) 5.331 2.729 ( -5.079 0.785 4.252) 6.670 2.804 ( 3.376 0.254 -2.267) 4.075 3.071 ( 2.219 1.090 0.199) 2.480 3.114 ( -1.846 2.321 3.793) 4.815 3.233 ( 2.501 -6.503 3.435) 7.768 3.279 ( -0.746 3.851 2.486) 4.644 3.429 ( -1.102 -2.128 -0.800) 2.526 3.590 ( -0.712 1.034 -2.403) 2.711 3.627 ( 4.576 2.400 -0.088) 5.167 3.703 ( -10.651 1.392 -2.290) 10.983 3.770 ( 4.750 -1.928 -0.117) 5.128 4.009 ( -0.624 1.248 -6.723) 6.866 4.100 ( -3.052 4.337 -4.940) 7.247 4.211 ( 6.417 -1.320 1.881) 6.816 4.389 ( -2.682 -6.507 -6.411) 9.521 4.587 ( 1.496 -3.125 4.636) 5.787 4.712 ( 1.111 3.235 3.386) 4.813 4.828 ( -0.313 -5.293 5.136) 7.382 4.881 ( 0.258 3.031 2.614) 4.011 4.983 ( -0.146 -2.402 -0.204) 2.416 5.059 ( -1.536 1.178 0.116) 1.939 5.314 ( -4.541 5.249 -1.929) 7.203 5.578 ( 0.141 0.006 -1.762) 1.767 5.713 ( 3.718 -3.197 -0.726) 4.958 6.022 ( 5.817 1.664 8.043) 10.064 6.390 ( -6.195 0.107 -8.950) 10.885 6.895 ( 1.071 -1.851 2.480) 3.275 8.185 ( -0.459 0.212 0.389) 0.638 8.297 ( 0.671 1.881 -0.580) 2.079 9.234 ( -0.408 0.555 0.256) 0.735 9.318 ( 0.842 -0.362 -1.198) 1.509 10.156 ( 0.097 -0.864 -0.344) 0.935 10.204 ( 0.267 -0.551 0.396) 0.729 10.951 ( -0.598 0.171 0.428) 0.755 11.008 ( 0.150 0.609 -0.745) 0.974 11.428 ( -1.236 0.153 -0.554) 1.363 11.581 ( 0.292 0.553 1.143) 1.303 14.628 ( -0.047 -0.070 0.684) 0.689 14.655 ( 0.261 0.163 0.394) 0.500 ======================= Grid point 98 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -6.562 -9.534 -1.434) 11.663 1.309 ( -3.822 6.717 1.335) 7.843 1.420 ( 9.106 4.992 -0.058) 10.385 1.826 ( 3.342 6.517 -12.661) 14.627 2.099 ( -0.762 2.794 4.018) 4.953 2.185 ( 0.453 4.423 -4.036) 6.004 2.231 ( -0.021 1.678 3.448) 3.835 2.451 ( 2.480 -3.257 3.406) 5.325 2.546 ( -1.007 -1.009 -5.145) 5.339 2.666 ( -10.247 2.287 4.245) 11.325 2.861 ( 4.052 -1.050 1.550) 4.464 2.985 ( -3.004 5.828 -4.551) 7.981 3.115 ( 3.404 0.169 5.984) 6.886 3.285 ( 0.239 0.058 3.357) 3.366 3.364 ( 1.808 1.228 0.329) 2.210 3.409 ( -5.907 -0.021 -2.223) 6.312 3.506 ( 2.103 2.070 3.497) 4.576 3.617 ( -2.092 -3.265 -4.598) 6.015 3.691 ( 0.571 -3.152 -0.438) 3.233 3.832 ( 1.587 0.743 4.396) 4.732 3.955 ( -2.641 3.308 -4.437) 6.132 3.995 ( 4.302 -0.672 -5.961) 7.382 4.267 ( 7.279 2.768 0.435) 7.800 4.436 ( -3.440 -4.599 -4.215) 7.123 4.635 ( 1.223 1.248 0.758) 1.905 4.676 ( -1.497 4.254 3.316) 5.598 4.821 ( -3.948 -2.427 -1.287) 4.810 4.917 ( -0.404 1.224 6.369) 6.498 5.011 ( -2.831 0.211 -0.485) 2.880 5.067 ( 1.142 -5.759 -0.541) 5.896 5.281 ( -1.109 -3.582 1.585) 4.071 5.570 ( 1.163 0.228 -2.104) 2.415 5.764 ( 1.486 -1.968 -3.216) 4.053 6.056 ( 1.370 3.181 2.851) 4.486 6.331 ( 0.269 -1.050 -1.518) 1.865 6.904 ( -0.116 2.376 0.978) 2.572 8.203 ( -0.246 -2.205 0.542) 2.284 8.283 ( 0.536 -0.221 -0.847) 1.026 9.227 ( -0.216 0.123 0.331) 0.414 9.333 ( 0.946 -1.042 -1.301) 1.916 10.163 ( 0.286 0.157 -0.374) 0.496 10.211 ( 0.291 0.167 0.023) 0.336 10.945 ( -0.608 0.091 0.623) 0.875 10.999 ( -0.162 0.036 -0.521) 0.546 11.430 ( -0.312 -1.227 0.248) 1.290 11.588 ( 0.020 -0.764 0.596) 0.969 14.630 ( -0.257 -0.012 0.477) 0.542 14.654 ( -0.005 0.214 0.121) 0.246 ======================= Grid point 99 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -6.952 5.216 -2.001) 8.918 1.122 ( -5.506 16.299 0.213) 17.205 1.516 ( 9.924 -3.557 3.794) 11.204 1.659 ( 4.427 -1.275 -9.264) 10.346 1.971 ( -1.096 12.226 3.705) 12.822 2.133 ( -3.921 8.015 10.454) 13.744 2.245 ( -0.954 -4.149 4.901) 6.492 2.524 ( 7.741 0.969 -3.246) 8.450 2.551 ( -3.198 -0.559 -3.997) 5.149 2.583 ( -5.420 -0.998 -0.068) 5.511 2.839 ( -2.063 1.177 -10.446) 10.713 2.907 ( -0.263 -2.655 1.137) 2.900 3.132 ( -4.805 9.915 1.198) 11.083 3.203 ( 1.478 1.057 -0.518) 1.890 3.261 ( -5.825 2.148 0.790) 6.258 3.409 ( -1.729 1.695 6.355) 6.801 3.515 ( 6.154 0.943 -0.002) 6.226 3.664 ( 0.116 -0.808 -3.974) 4.057 3.776 ( 2.351 -4.477 1.263) 5.212 3.818 ( -0.456 3.384 -4.197) 5.411 3.948 ( 5.309 -3.464 7.597) 9.894 4.076 ( 3.232 -6.166 -1.803) 7.191 4.314 ( 5.448 -1.778 0.913) 5.802 4.439 ( -2.139 -1.147 -4.604) 5.205 4.548 ( -2.500 6.107 1.952) 6.882 4.641 ( 1.809 1.037 -1.880) 2.808 4.772 ( -4.850 1.431 -3.521) 6.162 4.938 ( 0.642 -0.343 2.776) 2.870 4.977 ( -3.743 0.787 0.207) 3.831 5.170 ( 0.144 -4.993 0.274) 5.003 5.348 ( 0.050 -1.849 1.712) 2.520 5.583 ( 1.840 -0.644 -0.135) 1.954 5.816 ( -1.067 -6.500 -5.435) 8.540 5.982 ( -2.763 2.874 -2.424) 4.666 6.393 ( 4.455 -0.611 5.320) 6.966 6.826 ( -0.455 6.088 0.452) 6.121 8.246 ( -0.595 -2.389 0.751) 2.574 8.315 ( 0.867 -3.411 -1.221) 3.726 9.228 ( -0.078 -0.115 0.590) 0.606 9.356 ( 0.775 -1.442 -1.637) 2.315 10.154 ( 0.439 1.000 -0.462) 1.186 10.202 ( 0.048 0.912 -0.749) 1.181 10.946 ( -0.502 -0.325 1.091) 1.244 11.000 ( -0.068 -0.458 -0.345) 0.577 11.463 ( 0.356 -1.911 1.157) 2.262 11.611 ( -0.398 -1.784 0.200) 1.839 14.628 ( -0.385 0.058 0.197) 0.436 14.649 ( -0.274 0.212 -0.119) 0.366 ======================= Grid point 100 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 5.858 20.348 -5.586) 21.899 0.911 ( 3.265 10.951 18.910) 22.095 1.606 ( 5.102 7.953 7.417) 12.012 1.758 ( -2.204 11.842 4.647) 12.911 1.829 ( 9.130 -10.553 1.802) 14.070 1.984 ( -10.536 4.679 3.848) 12.154 2.314 ( -0.925 -1.290 3.996) 4.300 2.447 ( -10.121 4.225 -2.649) 11.282 2.503 ( 1.485 1.554 -2.770) 3.506 2.577 ( 9.490 1.251 -11.825) 15.213 2.832 ( -3.659 -2.215 -7.323) 8.480 2.865 ( -2.952 6.353 -2.133) 7.323 2.970 ( 0.652 -2.314 1.270) 2.719 3.199 ( -5.893 -3.067 -1.669) 6.850 3.263 ( 5.793 0.526 2.957) 6.525 3.387 ( -6.338 0.723 1.141) 6.480 3.471 ( 3.557 7.402 -0.217) 8.215 3.629 ( 1.424 2.872 -0.952) 3.344 3.781 ( 2.789 0.745 2.115) 3.579 3.863 ( -0.911 -2.876 -0.997) 3.178 4.056 ( 0.927 -1.330 3.272) 3.652 4.254 ( 0.125 -9.297 -0.451) 9.309 4.384 ( 1.866 2.634 -4.626) 5.641 4.426 ( 1.978 -4.003 0.740) 4.526 4.490 ( 5.222 0.815 2.406) 5.807 4.625 ( 2.026 2.378 -0.112) 3.126 4.703 ( -2.311 0.005 -2.974) 3.766 4.906 ( -2.744 2.315 -2.907) 4.620 4.957 ( 1.513 0.143 1.035) 1.838 5.243 ( 0.961 -2.454 -0.339) 2.658 5.362 ( 0.807 1.170 2.440) 2.824 5.604 ( -2.435 -0.066 3.004) 3.868 5.885 ( -3.018 3.324 -7.181) 8.469 5.906 ( -5.401 -10.691 -5.587) 13.217 6.452 ( 3.045 1.431 6.467) 7.290 6.730 ( 2.059 5.060 2.045) 5.833 8.283 ( -0.757 -2.240 0.901) 2.530 8.389 ( 0.874 -4.232 -1.384) 4.537 9.233 ( -0.115 -0.032 0.876) 0.884 9.378 ( 0.409 -1.392 -2.069) 2.527 10.135 ( 0.441 1.263 -0.558) 1.450 10.170 ( -0.537 1.827 -1.903) 2.692 10.960 ( -0.628 -1.224 1.746) 2.223 11.012 ( 0.568 -0.782 -0.083) 0.970 11.510 ( 1.111 -1.733 2.096) 2.938 11.639 ( -1.015 -1.940 -0.278) 2.207 14.624 ( -0.298 0.059 0.082) 0.315 14.641 ( -0.462 0.190 -0.275) 0.571 ======================= Grid point 103 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -20.731 -0.000 20.979) 29.494 1.185 ( 7.795 0.000 -3.828) 8.684 1.433 ( 6.702 0.000 7.040) 9.719 1.579 ( 13.428 0.000 9.889) 16.677 1.933 ( -0.381 -0.000 -6.852) 6.863 2.178 ( -0.958 -0.000 -13.539) 13.573 2.384 ( 6.143 0.000 -4.471) 7.598 2.462 ( -9.468 -0.000 -4.773) 10.603 2.551 ( 7.878 0.000 1.223) 7.972 2.728 ( 1.905 0.000 3.710) 4.171 2.783 ( 3.047 0.000 3.959) 4.996 2.998 ( 0.750 0.000 -0.440) 0.869 3.015 ( 28.114 0.000 14.654) 31.704 3.102 ( 1.601 0.000 -4.635) 4.904 3.144 ( -4.026 -0.000 -2.289) 4.632 3.384 ( 6.124 0.000 -8.421) 10.412 3.495 ( 2.895 0.000 3.937) 4.887 3.717 ( -0.014 -0.000 -2.749) 2.749 3.776 ( 0.194 0.000 3.613) 3.618 3.888 ( -0.959 -0.000 3.442) 3.573 4.068 ( 5.183 0.000 -3.464) 6.234 4.161 ( -4.176 -0.000 -13.153) 13.800 4.173 ( -6.575 -0.000 8.074) 10.413 4.238 ( -9.536 -0.000 -7.840) 12.346 4.444 ( -3.862 -0.000 -2.523) 4.613 4.524 ( -3.274 -0.000 5.479) 6.383 4.717 ( 3.992 0.000 -1.883) 4.414 4.940 ( -3.955 -0.000 -2.132) 4.493 5.034 ( 3.726 0.000 -2.490) 4.482 5.275 ( 4.119 0.000 5.475) 6.851 5.488 ( 1.108 0.000 12.194) 12.245 5.577 ( 5.101 0.000 -7.656) 9.200 5.910 ( -8.484 -0.000 -5.919) 10.345 6.050 ( 0.043 0.000 7.613) 7.613 6.373 ( -1.544 -0.000 -1.428) 2.103 6.610 ( -2.274 -0.000 -2.264) 3.209 8.335 ( -0.787 -0.000 1.631) 1.811 8.464 ( 0.466 0.000 -1.641) 1.706 9.270 ( 0.348 0.000 2.236) 2.263 9.357 ( -0.148 -0.000 -2.491) 2.495 10.082 ( 0.461 0.000 0.089) 0.469 10.115 ( 0.195 0.000 0.178) 0.264 10.964 ( -0.945 -0.000 0.459) 1.050 11.061 ( 0.261 0.000 0.150) 0.301 11.550 ( -2.760 -0.000 -1.891) 3.346 11.656 ( 0.527 0.000 1.300) 1.403 14.618 ( -0.067 -0.000 0.173) 0.186 14.644 ( 0.641 0.000 0.822) 1.042 ======================= Grid point 104 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -12.161 -4.048 10.327) 16.460 1.416 ( 10.059 -12.699 -4.140) 16.721 1.447 ( 11.041 7.738 6.466) 14.953 1.840 ( 7.259 -7.221 10.639) 14.766 1.870 ( 2.965 2.179 -0.652) 3.738 2.177 ( 1.882 1.154 -6.663) 7.019 2.306 ( -2.691 7.748 -3.255) 8.825 2.390 ( -7.075 -6.000 -3.891) 10.060 2.593 ( 1.797 -2.690 -3.991) 5.137 2.676 ( -0.430 3.386 1.888) 3.901 2.890 ( 6.710 0.860 4.883) 8.343 2.985 ( 1.781 3.822 -2.953) 5.148 3.091 ( 1.060 0.802 -1.096) 1.723 3.121 ( 4.623 -2.862 -0.667) 5.478 3.351 ( 14.406 -1.430 8.597) 16.837 3.430 ( 6.506 -2.320 -2.888) 7.486 3.567 ( 2.321 -2.030 2.366) 3.887 3.658 ( 1.617 4.181 1.205) 4.641 3.786 ( -1.994 2.685 2.118) 3.958 3.876 ( 0.579 -3.787 0.248) 3.839 4.019 ( -11.310 -1.638 -14.941) 18.810 4.030 ( -4.917 6.655 -2.641) 8.686 4.189 ( -3.586 -6.146 -6.331) 9.525 4.251 ( -1.462 -6.797 -0.014) 6.953 4.470 ( 3.281 -1.518 5.971) 6.980 4.543 ( -1.848 -2.524 3.748) 4.882 4.687 ( 0.868 2.528 -4.954) 5.629 4.918 ( -0.716 -0.119 0.963) 1.206 5.057 ( 1.802 -0.752 -2.748) 3.371 5.230 ( 0.960 8.342 4.051) 9.323 5.577 ( 3.122 0.203 -6.732) 7.423 5.589 ( -1.333 -2.362 10.054) 10.413 5.756 ( -4.562 4.918 -2.280) 7.085 6.051 ( 1.877 3.735 5.044) 6.551 6.389 ( -3.341 -3.733 -3.636) 6.190 6.619 ( -0.858 -4.029 -0.514) 4.151 8.315 ( -0.845 2.175 1.332) 2.687 8.443 ( 0.589 2.031 -1.471) 2.576 9.277 ( 0.185 0.631 1.706) 1.828 9.340 ( 0.014 0.530 -2.155) 2.219 10.092 ( 0.438 -0.615 0.014) 0.755 10.131 ( 0.159 -1.325 0.393) 1.391 10.959 ( -0.452 0.061 0.498) 0.675 11.058 ( 0.206 0.572 -0.320) 0.687 11.511 ( -2.483 0.818 -1.258) 2.901 11.651 ( 0.033 1.330 1.154) 1.761 14.620 ( 0.053 -0.062 0.375) 0.384 14.654 ( 0.584 0.030 0.768) 0.965 ======================= Grid point 105 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -7.508 -7.142 0.014) 10.362 1.487 ( 10.319 1.134 -0.295) 10.386 1.685 ( 13.483 -5.815 -4.075) 15.238 1.863 ( 5.111 3.478 4.770) 7.808 2.033 ( -1.361 -1.199 -0.141) 1.819 2.097 ( -0.217 4.400 6.791) 8.095 2.179 ( 6.228 3.977 1.091) 7.470 2.359 ( -7.900 -2.140 1.135) 8.263 2.666 ( -2.959 -1.790 -1.783) 3.890 2.767 ( 2.710 -14.396 -2.311) 14.830 2.862 ( 4.944 6.206 -0.814) 7.977 2.936 ( 0.167 1.702 -1.543) 2.303 3.055 ( 0.092 3.102 0.812) 3.208 3.228 ( 3.765 0.548 4.813) 6.136 3.411 ( -1.656 1.433 0.223) 2.202 3.499 ( 3.776 1.342 -2.857) 4.921 3.586 ( 0.544 -1.220 -0.178) 1.348 3.611 ( 1.987 1.506 1.166) 2.753 3.768 ( 0.249 6.502 3.172) 7.238 3.859 ( -9.777 -0.136 -8.839) 13.181 3.962 ( 2.534 -4.236 -5.866) 7.666 3.988 ( 1.994 -6.943 0.241) 7.228 4.156 ( -7.232 -1.432 -3.556) 8.185 4.346 ( 4.308 -0.174 -5.841) 7.260 4.510 ( 0.950 2.005 4.810) 5.297 4.594 ( 0.089 -5.144 1.590) 5.385 4.724 ( 1.586 -4.947 0.210) 5.199 4.927 ( -0.153 -0.129 2.638) 2.646 5.058 ( -0.339 1.062 -1.284) 1.700 5.097 ( -1.312 6.676 2.761) 7.343 5.570 ( 0.521 0.017 -4.103) 4.136 5.612 ( 1.180 3.756 -0.742) 4.006 5.650 ( -2.614 2.653 6.066) 7.118 6.047 ( 3.051 1.454 4.067) 5.288 6.369 ( -4.996 -1.404 -5.681) 7.695 6.724 ( 0.760 -6.832 1.214) 6.980 8.263 ( -0.760 3.269 0.910) 3.478 8.396 ( 0.681 3.071 -1.210) 3.370 9.267 ( -0.183 1.159 0.830) 1.437 9.323 ( 0.373 0.485 -1.577) 1.692 10.111 ( 0.258 -1.210 -0.175) 1.249 10.161 ( 0.018 -1.661 0.349) 1.697 10.957 ( -0.313 0.106 0.692) 0.767 11.044 ( 0.369 1.041 -0.645) 1.279 11.466 ( -1.824 1.436 -0.387) 2.354 11.628 ( -0.162 1.734 0.918) 1.968 14.625 ( 0.046 -0.124 0.506) 0.523 14.660 ( 0.364 0.119 0.532) 0.656 ======================= Grid point 106 (46/115) ======================= q-point: ( 0.56 0.22 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -2.067 1.268 -4.624) 5.222 1.528 ( 6.316 3.484 -7.506) 10.410 1.731 ( 0.507 6.629 3.918) 7.717 1.857 ( 7.117 7.061 5.696) 11.530 2.024 ( 13.475 -0.561 -2.771) 13.769 2.132 ( -6.435 -6.533 5.349) 10.616 2.251 ( 2.219 -5.003 1.325) 5.631 2.381 ( -0.750 -0.252 0.909) 1.205 2.635 ( -9.136 -2.412 1.321) 9.541 2.756 ( -4.199 9.389 -0.745) 10.312 2.888 ( 7.483 2.433 -4.073) 8.860 3.021 ( 3.920 -9.047 -1.304) 9.945 3.091 ( 2.177 -6.310 -1.018) 6.752 3.212 ( -1.580 3.365 7.456) 8.331 3.364 ( -1.949 1.973 4.509) 5.294 3.417 ( -0.661 4.073 -1.909) 4.546 3.592 ( -5.891 1.787 -2.843) 6.781 3.652 ( -2.291 3.410 -1.108) 4.255 3.679 ( 3.902 -0.278 0.551) 3.950 3.779 ( 3.210 -2.112 -3.615) 5.276 3.996 ( 1.390 0.126 -7.971) 8.092 4.088 ( -3.638 -0.204 -2.854) 4.628 4.181 ( 1.965 -8.579 1.618) 8.949 4.297 ( 1.913 2.423 -3.142) 4.405 4.555 ( -0.447 -3.111 3.660) 4.825 4.716 ( -0.154 -5.358 1.038) 5.460 4.775 ( 1.769 -0.981 -2.132) 2.939 4.923 ( -2.329 2.459 2.186) 4.031 4.996 ( -0.492 1.900 4.102) 4.547 5.062 ( -0.568 -0.181 0.454) 0.749 5.421 ( -2.911 10.643 -0.494) 11.045 5.584 ( 1.292 0.649 -2.454) 2.848 5.691 ( 1.686 -2.646 2.065) 3.756 6.082 ( 0.816 -0.972 0.564) 1.389 6.321 ( -1.420 0.073 -1.808) 2.300 6.846 ( 0.204 -5.319 0.789) 5.381 8.208 ( -0.494 2.467 0.699) 2.612 8.342 ( 0.533 2.980 -1.107) 3.223 9.247 ( -0.323 1.060 0.349) 1.162 9.316 ( 0.636 0.047 -1.263) 1.415 10.136 ( 0.180 -1.390 -0.203) 1.416 10.188 ( -0.107 -1.379 0.041) 1.384 10.954 ( -0.353 0.296 0.884) 0.996 11.025 ( 0.454 1.184 -0.558) 1.386 11.430 ( -0.819 1.095 0.505) 1.458 11.601 ( -0.299 1.340 0.424) 1.437 14.629 ( -0.116 -0.090 0.462) 0.485 14.661 ( 0.071 0.189 0.175) 0.268 ======================= Grid point 107 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 2.354 2.185 2.592) 4.127 1.410 ( 2.379 7.615 -3.977) 8.915 1.633 ( 1.612 7.146 4.610) 8.655 1.884 ( 7.494 0.099 -4.892) 8.950 2.138 ( -8.488 1.454 2.433) 8.948 2.193 ( 10.087 -1.623 2.163) 10.443 2.311 ( 5.041 0.619 -3.058) 5.928 2.383 ( -5.171 -0.761 4.465) 6.874 2.539 ( 0.072 3.476 -10.296) 10.867 2.605 ( -9.132 -1.429 6.648) 11.386 2.924 ( 7.378 1.629 -2.381) 7.922 3.053 ( -2.346 5.420 -3.135) 6.686 3.178 ( -1.143 2.267 7.583) 7.997 3.266 ( -3.135 -8.278 0.229) 8.855 3.314 ( 0.874 1.254 0.358) 1.569 3.410 ( -1.220 2.718 -0.034) 2.979 3.476 ( -1.546 -2.722 5.411) 6.251 3.603 ( 1.876 0.390 -2.997) 3.557 3.718 ( 4.708 0.824 -0.726) 4.834 3.873 ( 0.269 -1.613 6.238) 6.449 3.906 ( -1.983 0.934 -8.785) 9.054 4.044 ( 2.388 3.230 -3.749) 5.495 4.293 ( -2.003 -4.815 -3.893) 6.507 4.353 ( 5.135 -3.309 1.362) 6.259 4.613 ( -0.367 -2.553 -1.642) 3.057 4.714 ( -3.428 -0.763 1.916) 4.001 4.807 ( -3.998 5.732 1.803) 7.217 4.878 ( -0.118 -5.188 -3.629) 6.333 5.002 ( 0.838 0.854 2.131) 2.444 5.060 ( -0.225 1.635 2.559) 3.045 5.263 ( -0.822 3.150 3.637) 4.881 5.573 ( 0.968 0.250 -1.731) 1.999 5.746 ( 1.513 -1.348 -1.890) 2.771 6.048 ( -5.222 0.348 -7.931) 9.502 6.367 ( 5.849 -0.711 7.899) 9.854 6.906 ( -1.068 -1.759 -0.447) 2.106 8.184 ( -0.195 0.126 0.691) 0.729 8.297 ( 0.266 1.817 -1.141) 2.162 9.232 ( -0.163 0.503 0.409) 0.669 9.320 ( 0.671 -0.522 -1.340) 1.586 10.157 ( 0.225 -0.875 -0.154) 0.916 10.205 ( -0.200 -0.758 -0.328) 0.850 10.950 ( -0.246 0.384 0.992) 1.092 11.007 ( 0.358 0.946 -0.305) 1.056 11.422 ( 0.177 -0.073 1.299) 1.313 11.582 ( -0.584 0.336 -0.189) 0.699 14.629 ( -0.345 0.002 0.278) 0.443 14.657 ( -0.187 0.218 -0.180) 0.339 ======================= Grid point 108 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 1.114 -0.195 2.147) 2.427 1.324 ( 1.459 7.091 4.231) 8.385 1.589 ( 2.078 1.450 6.480) 6.958 1.778 ( 7.704 11.564 -12.201) 18.491 2.097 ( -5.205 -5.369 -2.325) 7.831 2.220 ( 3.126 8.488 1.896) 9.242 2.303 ( 3.377 3.425 9.095) 10.289 2.409 ( -6.275 -5.522 0.086) 8.359 2.499 ( 2.603 0.421 -4.744) 5.427 2.620 ( 0.449 -2.665 -2.409) 3.620 2.860 ( -4.146 9.330 1.630) 10.339 2.929 ( 3.913 2.989 -3.134) 5.837 3.109 ( -8.780 3.699 -5.707) 11.106 3.183 ( -6.358 -0.596 2.983) 7.048 3.354 ( 6.187 2.174 2.345) 6.965 3.511 ( -4.369 0.258 2.371) 4.977 3.547 ( 6.566 -2.124 1.699) 7.108 3.618 ( 1.902 -0.764 2.817) 3.484 3.735 ( 1.521 -2.697 1.748) 3.555 3.837 ( 0.679 0.254 -4.134) 4.197 3.970 ( 0.160 -4.436 1.147) 4.584 4.020 ( 5.743 1.607 -0.030) 5.964 4.306 ( -1.724 -1.909 -1.122) 2.807 4.449 ( 5.942 -1.695 -0.483) 6.198 4.619 ( -0.916 2.252 -3.731) 4.453 4.659 ( -2.382 4.449 2.651) 5.701 4.704 ( -5.734 -1.145 -2.429) 6.332 4.902 ( -4.394 -2.395 -2.677) 5.675 5.004 ( 1.482 1.249 3.374) 3.891 5.076 ( 0.199 -2.681 0.462) 2.728 5.312 ( 1.506 -3.314 3.942) 5.366 5.582 ( 0.926 -0.829 -0.976) 1.580 5.747 ( 1.085 0.408 -4.083) 4.244 5.943 ( -6.217 0.173 -7.786) 9.965 6.479 ( 6.232 0.169 9.726) 11.552 6.883 ( -2.003 1.941 -1.549) 3.191 8.204 ( -0.348 -1.932 0.598) 2.052 8.281 ( 0.389 -0.580 -1.116) 1.316 9.230 ( -0.016 0.028 0.638) 0.639 9.332 ( 0.511 -1.015 -1.615) 1.974 10.166 ( 0.310 0.127 -0.106) 0.351 10.205 ( -0.436 0.146 -0.809) 0.931 10.947 ( -0.085 0.224 1.036) 1.063 10.998 ( 0.414 0.287 -0.163) 0.530 11.448 ( 0.887 -1.304 2.035) 2.575 11.578 ( -1.048 -0.968 -0.703) 1.591 14.626 ( -0.474 0.039 0.110) 0.488 14.649 ( -0.316 0.236 -0.378) 0.546 ======================= Grid point 109 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 3.593 7.544 -1.891) 8.567 1.205 ( 7.401 9.066 8.108) 14.237 1.623 ( -0.050 3.725 -6.847) 7.795 1.744 ( 5.687 -6.822 1.923) 9.087 2.013 ( 1.070 12.515 2.790) 12.866 2.202 ( -6.031 -7.255 -0.257) 9.438 2.249 ( 3.188 8.705 9.069) 12.968 2.393 ( -5.046 1.988 -0.184) 5.427 2.538 ( 4.229 0.963 -4.130) 5.989 2.664 ( 6.056 2.053 -1.204) 6.506 2.674 ( -5.809 -0.505 -4.184) 7.177 2.901 ( -2.843 3.292 -3.153) 5.372 2.993 ( 3.127 -0.619 0.727) 3.269 3.154 ( -4.447 0.269 -1.890) 4.840 3.330 ( -1.449 7.948 7.346) 10.919 3.407 ( 0.046 2.305 2.608) 3.481 3.585 ( 3.320 3.104 -3.155) 5.533 3.671 ( 0.811 1.516 -2.020) 2.653 3.778 ( 0.907 -3.198 -4.115) 5.290 3.878 ( 1.205 -1.274 7.632) 7.831 4.019 ( -0.287 -3.619 -6.939) 7.832 4.133 ( 4.045 -5.124 7.287) 9.783 4.370 ( 1.075 -4.212 2.710) 5.122 4.483 ( 2.819 6.161 0.764) 6.818 4.526 ( 0.764 0.257 -1.701) 1.882 4.601 ( -2.335 -1.676 -6.762) 7.348 4.696 ( -0.163 -0.583 1.315) 1.447 4.871 ( -4.791 -0.668 -3.257) 5.832 5.008 ( 2.625 2.072 2.658) 4.272 5.138 ( -1.797 -5.698 -3.034) 6.701 5.385 ( 1.312 -1.388 3.555) 4.035 5.596 ( -0.861 -0.585 -0.434) 1.127 5.736 ( -1.817 -1.822 -3.273) 4.163 5.863 ( -3.035 0.340 -5.713) 6.478 6.554 ( 4.223 2.137 8.881) 10.063 6.804 ( -2.047 3.357 -1.930) 4.380 8.238 ( -0.869 -2.314 0.446) 2.512 8.320 ( 0.811 -3.530 -0.991) 3.755 9.234 ( -0.043 -0.135 0.908) 0.919 9.347 ( 0.228 -1.263 -1.978) 2.358 10.158 ( 0.244 1.065 -0.127) 1.100 10.183 ( -0.734 1.230 -1.300) 1.934 10.951 ( -0.148 -0.218 1.075) 1.107 11.006 ( 0.847 -0.561 -0.147) 1.026 11.499 ( 1.326 -2.009 2.651) 3.581 11.587 ( -1.719 -1.929 -1.133) 2.822 14.621 ( -0.412 -0.011 0.089) 0.421 14.640 ( -0.249 0.243 -0.318) 0.472 ======================= Grid point 113 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -18.878 -0.000 21.608) 28.694 1.427 ( 20.065 0.000 -0.342) 20.068 1.677 ( 6.774 0.000 7.678) 10.239 1.848 ( 1.288 0.000 -0.233) 1.309 1.979 ( 10.852 0.000 8.935) 14.057 2.083 ( 0.163 0.000 -1.906) 1.913 2.224 ( -8.915 -0.000 -4.126) 9.824 2.379 ( -2.502 -0.000 -1.972) 3.186 2.523 ( -2.394 -0.000 -9.118) 9.427 2.771 ( 3.965 0.000 1.600) 4.275 2.952 ( 0.708 0.000 -0.891) 1.138 3.017 ( 0.167 0.000 2.896) 2.901 3.128 ( 5.658 0.000 -4.778) 7.405 3.169 ( 13.907 0.000 5.201) 14.848 3.434 ( 4.326 0.000 -1.268) 4.508 3.483 ( 1.352 0.000 3.167) 3.444 3.580 ( 4.598 0.000 -0.936) 4.692 3.725 ( -8.815 -0.000 -8.100) 11.971 3.726 ( 1.503 0.000 1.152) 1.893 3.830 ( -6.354 -0.000 -11.328) 12.989 3.981 ( -8.964 -0.000 -7.793) 11.878 3.984 ( 9.991 0.000 9.621) 13.871 4.106 ( 1.190 0.000 -5.374) 5.504 4.151 ( -4.979 -0.000 7.332) 8.862 4.514 ( -2.750 -0.000 4.600) 5.359 4.523 ( 7.156 0.000 3.648) 8.032 4.687 ( -0.573 -0.000 -7.247) 7.270 4.931 ( 0.628 0.000 3.234) 3.294 5.053 ( 1.556 0.000 -2.946) 3.331 5.333 ( -0.893 -0.000 -1.035) 1.366 5.569 ( 2.360 0.000 -7.101) 7.483 5.573 ( -4.672 -0.000 11.240) 12.173 5.737 ( -4.684 -0.000 -1.906) 5.057 6.121 ( 1.500 0.000 3.598) 3.898 6.334 ( -0.966 -0.000 -1.101) 1.465 6.559 ( -1.042 -0.000 -1.634) 1.938 8.333 ( -0.906 -0.000 1.305) 1.589 8.458 ( 0.584 0.000 -1.661) 1.760 9.293 ( 0.081 0.000 1.425) 1.427 9.335 ( 0.178 0.000 -2.088) 2.096 10.094 ( 0.503 0.000 0.221) 0.549 10.119 ( 0.083 0.000 0.039) 0.091 10.958 ( -0.267 -0.000 0.705) 0.754 11.063 ( 0.110 0.000 -0.280) 0.301 11.494 ( -1.823 -0.000 -0.250) 1.840 11.665 ( -0.378 -0.000 0.637) 0.741 14.622 ( 0.058 0.000 0.388) 0.392 14.662 ( 0.418 0.000 0.587) 0.720 ======================= Grid point 114 (51/115) ======================= q-point: ( 0.44 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -12.601 -5.472 18.729) 23.227 1.586 ( 5.731 2.841 0.530) 6.418 1.763 ( 19.585 -2.844 0.182) 19.791 1.880 ( 1.949 -3.565 0.372) 4.080 2.080 ( 0.151 3.559 8.511) 9.227 2.124 ( -4.946 -2.170 2.687) 6.032 2.257 ( 1.373 -7.037 2.650) 7.644 2.296 ( -2.766 4.579 3.243) 6.256 2.533 ( 0.308 -9.733 -7.690) 12.408 2.720 ( 3.975 8.780 1.105) 9.700 2.933 ( -1.236 0.568 -3.637) 3.883 2.993 ( 1.763 4.097 -0.373) 4.476 3.126 ( 3.040 3.372 -2.355) 5.115 3.331 ( 7.112 1.687 4.585) 8.628 3.442 ( -3.375 2.798 4.553) 6.321 3.505 ( 5.543 -3.425 -0.617) 6.544 3.581 ( -2.350 0.304 -4.966) 5.502 3.644 ( -2.732 -3.350 -9.187) 10.153 3.687 ( -0.504 1.684 -3.322) 3.759 3.820 ( -2.412 -2.416 -1.142) 3.600 3.905 ( -1.402 -2.848 -3.602) 4.801 3.964 ( 3.003 5.234 0.415) 6.048 4.074 ( -5.629 0.150 1.536) 5.836 4.317 ( 6.427 -7.471 0.301) 9.860 4.522 ( -2.023 -1.940 2.146) 3.530 4.610 ( -1.164 2.684 -6.422) 7.057 4.647 ( 5.447 -3.232 4.778) 7.934 4.948 ( 0.137 0.271 3.624) 3.637 5.054 ( 1.186 -0.050 -2.392) 2.671 5.218 ( -3.347 7.715 -1.231) 8.500 5.544 ( -0.247 -0.449 -2.015) 2.079 5.634 ( -1.398 -2.984 4.703) 5.742 5.683 ( -2.006 2.450 0.010) 3.166 6.109 ( -0.222 2.701 0.036) 2.710 6.323 ( -0.351 0.428 0.328) 0.643 6.608 ( -0.065 -6.292 -0.554) 6.317 8.310 ( -0.834 2.209 1.054) 2.585 8.439 ( 0.619 1.840 -1.666) 2.558 9.289 ( -0.252 0.961 0.668) 1.197 9.326 ( 0.468 0.272 -1.671) 1.757 10.100 ( 0.263 -0.339 -0.126) 0.447 10.133 ( -0.101 -1.374 -0.132) 1.384 10.961 ( -0.135 0.056 1.054) 1.064 11.058 ( 0.257 0.529 -0.333) 0.676 11.474 ( -1.032 0.902 0.792) 1.583 11.653 ( -0.504 1.117 0.338) 1.271 14.625 ( -0.020 -0.092 0.394) 0.405 14.666 ( 0.110 0.076 0.253) 0.286 ======================= Grid point 115 (52/115) ======================= q-point: ( 0.56 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -2.501 -5.811 6.381) 8.986 1.596 ( 6.717 1.511 -6.557) 9.507 1.872 ( 3.372 5.202 5.005) 7.968 1.972 ( -4.572 -3.675 0.832) 5.924 2.048 ( -4.217 3.390 -0.156) 5.412 2.143 ( 10.933 -1.145 7.554) 13.338 2.263 ( 0.047 2.227 7.720) 8.035 2.374 ( 1.285 -6.511 8.182) 10.535 2.560 ( -1.912 7.223 -3.180) 8.121 2.788 ( -1.463 -9.117 -2.100) 9.469 2.867 ( -1.042 -1.782 -2.480) 3.227 2.960 ( 3.850 3.077 -3.327) 5.946 3.056 ( 0.928 1.415 -1.393) 2.191 3.300 ( -0.721 3.526 4.195) 5.527 3.396 ( -1.351 0.051 3.547) 3.796 3.483 ( -1.575 5.783 -5.120) 7.883 3.595 ( -1.294 4.002 -0.831) 4.288 3.672 ( 2.772 -1.289 -1.703) 3.500 3.694 ( 5.793 -6.047 -1.639) 8.533 3.748 ( -2.759 5.562 -1.209) 6.325 3.924 ( 1.188 -3.915 -8.686) 9.602 4.023 ( -2.344 -3.355 -0.913) 4.193 4.092 ( 2.489 -5.594 5.280) 8.085 4.368 ( 1.951 3.341 -6.000) 7.139 4.523 ( -2.861 -0.014 0.485) 2.902 4.618 ( 1.553 -6.468 -1.903) 6.919 4.748 ( 0.509 -1.917 0.910) 2.182 4.956 ( -0.776 0.905 3.745) 3.930 5.051 ( -1.033 3.392 0.881) 3.654 5.062 ( -1.285 2.327 -0.301) 2.675 5.556 ( 1.794 1.806 -0.756) 2.655 5.595 ( -1.483 4.329 -0.532) 4.607 5.676 ( -0.382 -1.159 3.022) 3.259 6.046 ( -3.197 0.961 -5.081) 6.080 6.342 ( 3.105 -0.450 4.894) 5.814 6.730 ( -0.601 -7.333 -0.684) 7.389 8.259 ( -0.558 3.183 0.913) 3.358 8.393 ( 0.493 2.955 -1.677) 3.433 9.266 ( -0.378 1.291 0.216) 1.362 9.318 ( 0.625 0.282 -1.351) 1.515 10.114 ( 0.167 -1.133 -0.203) 1.163 10.157 ( -0.335 -1.700 -0.431) 1.785 10.963 ( -0.149 0.263 1.359) 1.392 11.047 ( 0.451 0.965 -0.287) 1.104 11.454 ( -0.091 1.414 1.678) 2.197 11.624 ( -0.617 1.605 -0.134) 1.725 14.628 ( -0.185 -0.093 0.335) 0.394 14.664 ( -0.209 0.163 -0.115) 0.289 ======================= Grid point 116 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 6.568 -1.690 2.638) 7.277 1.528 ( 4.507 5.803 -12.123) 14.176 1.759 ( -2.559 10.456 7.938) 13.375 1.971 ( -1.641 -0.858 7.573) 7.796 2.034 ( -4.689 -3.189 0.277) 5.677 2.238 ( 0.729 -2.194 4.406) 4.976 2.358 ( 6.335 -1.165 -3.013) 7.111 2.393 ( -3.249 4.484 5.254) 7.633 2.538 ( -1.185 -1.674 3.694) 4.225 2.611 ( 0.237 7.840 -2.914) 8.367 2.943 ( 1.084 -3.070 -5.634) 6.508 3.061 ( 2.027 -5.012 -2.399) 5.914 3.130 ( 0.388 -5.241 4.372) 6.836 3.255 ( -1.904 4.128 6.166) 7.660 3.306 ( -6.368 4.036 -3.192) 8.187 3.433 ( -1.493 1.576 1.547) 2.666 3.533 ( 7.527 1.891 5.419) 9.466 3.624 ( -0.397 2.621 -5.975) 6.537 3.717 ( 1.631 -3.389 -5.004) 6.260 3.817 ( 0.715 -2.795 2.128) 3.585 3.911 ( -2.882 1.932 -6.371) 7.255 4.073 ( 5.544 -2.608 -0.758) 6.174 4.213 ( 0.511 -2.140 0.945) 2.394 4.318 ( 1.245 -1.660 -3.963) 4.474 4.554 ( 1.170 -3.751 -0.744) 3.999 4.694 ( -3.064 0.006 2.544) 3.983 4.749 ( -1.368 -3.511 -5.318) 6.518 4.896 ( -2.849 5.156 1.685) 6.127 5.025 ( -0.963 -1.951 3.236) 3.900 5.063 ( 0.663 0.659 0.566) 1.093 5.430 ( 2.403 10.097 4.161) 11.182 5.575 ( -0.078 0.112 -2.204) 2.208 5.710 ( -0.587 -2.251 0.109) 2.328 5.964 ( -4.627 0.887 -8.445) 9.670 6.445 ( 6.171 -2.003 8.832) 10.959 6.822 ( -2.224 -5.126 -2.066) 5.957 8.210 ( -0.181 2.320 1.006) 2.535 8.335 ( 0.210 2.961 -1.713) 3.428 9.245 ( -0.243 0.889 0.300) 0.969 9.315 ( 0.646 0.020 -1.320) 1.470 10.138 ( 0.234 -1.420 0.006) 1.439 10.179 ( -0.445 -1.492 -0.687) 1.702 10.962 ( -0.125 0.452 1.409) 1.485 11.031 ( 0.504 1.228 -0.182) 1.340 11.444 ( 0.793 1.053 2.324) 2.672 11.588 ( -0.927 1.345 -0.820) 1.828 14.627 ( -0.365 0.013 0.235) 0.435 14.656 ( -0.391 0.193 -0.382) 0.580 ======================= Grid point 117 (54/115) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 9.100 5.047 6.029) 12.026 1.442 ( 3.235 3.431 -3.194) 5.695 1.620 ( -4.973 3.487 2.417) 6.537 1.960 ( -7.724 4.013 -1.962) 8.922 1.998 ( 3.311 3.099 2.116) 5.004 2.236 ( -5.887 -2.105 0.122) 6.253 2.330 ( -3.201 4.355 -6.508) 8.460 2.410 ( 6.084 -2.830 5.490) 8.670 2.485 ( 0.554 -4.818 -6.542) 8.144 2.667 ( 8.392 6.502 8.338) 13.499 2.995 ( 1.833 3.182 -1.840) 4.107 3.001 ( 1.599 0.585 -0.506) 1.777 3.104 ( -6.061 5.632 -4.470) 9.404 3.148 ( -7.653 5.469 7.271) 11.889 3.330 ( -2.638 -9.009 3.482) 10.013 3.457 ( 2.093 -1.939 3.144) 4.245 3.572 ( 0.203 -0.038 -5.915) 5.919 3.646 ( 6.194 -1.314 2.752) 6.904 3.749 ( -1.784 1.757 -2.780) 3.741 3.807 ( 2.114 -1.127 -6.048) 6.505 3.887 ( -2.217 -4.037 3.882) 6.024 4.143 ( 8.169 2.933 1.081) 8.747 4.254 ( 1.315 -3.146 0.406) 3.434 4.379 ( 1.077 -5.583 -6.146) 8.373 4.593 ( 0.265 -1.035 -5.414) 5.518 4.667 ( -3.848 1.618 5.247) 6.705 4.752 ( -3.643 2.721 3.434) 5.698 4.790 ( -3.165 -0.401 -5.251) 6.144 5.044 ( 1.316 1.573 0.893) 2.237 5.073 ( -0.785 -1.698 1.917) 2.679 5.371 ( 5.454 4.157 7.604) 10.240 5.565 ( -0.395 -0.701 -2.096) 2.245 5.740 ( 0.063 -2.246 -2.275) 3.198 5.846 ( -5.518 2.087 -8.680) 10.495 6.581 ( 6.141 -1.118 9.732) 11.562 6.842 ( -3.776 -1.963 -3.696) 5.636 8.191 ( -0.054 0.324 1.029) 1.080 8.287 ( 0.114 1.564 -1.565) 2.215 9.235 ( -0.060 0.290 0.531) 0.608 9.317 ( 0.528 -0.366 -1.451) 1.587 10.163 ( 0.337 -0.862 0.241) 0.956 10.192 ( -0.523 -0.754 -0.866) 1.262 10.959 ( -0.050 0.456 1.150) 1.238 11.014 ( 0.504 1.016 -0.164) 1.146 11.457 ( 1.303 -0.040 2.723) 3.019 11.556 ( -1.380 0.367 -1.436) 2.025 14.623 ( -0.432 0.096 0.204) 0.488 14.648 ( -0.353 0.175 -0.420) 0.575 ======================= Grid point 118 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 8.947 7.107 5.757) 12.794 1.397 ( 3.128 4.275 0.814) 5.359 1.578 ( -6.497 -3.681 -1.259) 7.573 1.827 ( 5.934 7.423 -7.779) 12.281 1.961 ( -9.555 -3.994 1.186) 10.424 2.210 ( -1.580 2.330 0.410) 2.845 2.259 ( -1.115 2.097 -4.479) 5.070 2.517 ( -3.447 -3.451 -6.043) 7.766 2.529 ( 7.161 -1.141 2.535) 7.682 2.614 ( 6.839 6.730 5.926) 11.277 2.886 ( 1.882 11.372 -2.024) 11.703 2.957 ( -0.374 5.000 4.781) 6.927 3.036 ( 0.371 0.198 4.787) 4.805 3.076 ( -1.829 -2.420 -1.236) 3.275 3.422 ( -3.552 -1.404 1.338) 4.047 3.487 ( 0.741 3.281 6.411) 7.240 3.605 ( -3.760 -8.799 -3.909) 10.336 3.654 ( 0.177 3.329 -0.545) 3.378 3.687 ( 2.846 0.606 -8.530) 9.013 3.880 ( 1.824 -3.003 2.046) 4.066 3.942 ( -1.309 -1.922 0.547) 2.388 4.178 ( 6.753 -0.216 0.033) 6.756 4.351 ( 3.442 -1.347 5.546) 6.665 4.458 ( 0.874 -5.947 -6.756) 9.043 4.523 ( -4.650 0.998 -5.019) 6.915 4.625 ( -2.096 6.983 1.423) 7.428 4.677 ( 1.455 -2.359 2.193) 3.535 4.790 ( -4.062 -1.608 -0.558) 4.405 5.049 ( 0.453 -0.538 0.658) 0.963 5.083 ( -0.104 0.782 0.743) 1.084 5.414 ( 4.046 0.556 5.256) 6.656 5.565 ( -0.074 -0.762 -3.529) 3.611 5.716 ( -4.041 2.482 -4.035) 6.227 5.792 ( 0.203 -3.770 -1.888) 4.221 6.675 ( 4.659 1.467 8.831) 10.092 6.790 ( -4.739 0.639 -4.997) 6.916 8.201 ( -0.579 -1.133 0.524) 1.376 8.280 ( 0.600 -1.297 -0.947) 1.715 9.236 ( -0.047 -0.069 0.732) 0.737 9.323 ( 0.308 -0.710 -1.691) 1.859 10.172 ( 0.099 0.335 0.107) 0.366 10.186 ( -0.398 0.318 -0.730) 0.890 10.957 ( -0.027 0.268 0.814) 0.858 11.008 ( 0.662 0.124 -0.329) 0.750 11.494 ( 1.196 -1.287 2.724) 3.241 11.538 ( -1.766 -0.869 -1.636) 2.559 14.619 ( -0.326 0.066 0.296) 0.445 14.641 ( -0.109 0.148 -0.189) 0.263 ======================= Grid point 123 (56/115) ======================= q-point: ( 0.44 0.44 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -14.487 -0.000 30.215) 33.508 1.717 ( -0.030 -0.000 0.890) 0.890 1.777 ( 3.288 0.000 -2.997) 4.449 1.901 ( 8.151 0.000 7.159) 10.849 2.054 ( -4.100 -0.000 0.472) 4.128 2.187 ( -0.391 -0.000 11.721) 11.727 2.227 ( 1.807 0.000 3.462) 3.905 2.357 ( 1.638 0.000 5.712) 5.942 2.389 ( 3.425 0.000 -7.500) 8.245 2.880 ( 4.526 0.000 0.716) 4.582 2.914 ( -0.755 -0.000 -2.910) 3.006 3.035 ( 0.172 0.000 -0.924) 0.940 3.177 ( 3.781 0.000 -5.961) 7.059 3.317 ( -9.430 -0.000 -7.679) 12.162 3.435 ( -3.648 -0.000 1.169) 3.830 3.516 ( 5.059 0.000 -0.441) 5.078 3.601 ( 2.505 0.000 -4.040) 4.754 3.616 ( 7.833 0.000 4.547) 9.057 3.668 ( 0.036 0.000 -1.980) 1.980 3.783 ( 2.374 0.000 2.440) 3.404 3.843 ( 1.219 0.000 -3.520) 3.725 4.033 ( -7.530 -0.000 2.970) 8.094 4.094 ( 3.311 0.000 -4.547) 5.625 4.232 ( -2.067 -0.000 0.834) 2.229 4.494 ( -3.115 -0.000 0.989) 3.268 4.549 ( -1.199 -0.000 -8.859) 8.940 4.728 ( 5.808 0.000 3.313) 6.686 4.966 ( -1.116 -0.000 4.121) 4.270 5.060 ( 2.229 0.000 -1.160) 2.513 5.251 ( -0.933 -0.000 -6.763) 6.827 5.544 ( -7.101 -0.000 6.990) 9.964 5.588 ( 3.888 0.000 0.019) 3.888 5.700 ( 0.382 0.000 1.347) 1.400 6.119 ( -2.605 -0.000 -3.410) 4.291 6.346 ( 1.155 0.000 3.246) 3.445 6.539 ( 0.153 0.000 -1.001) 1.012 8.327 ( -0.840 -0.000 0.959) 1.275 8.453 ( 0.679 0.000 -1.857) 1.977 9.296 ( -0.653 -0.000 0.235) 0.694 9.326 ( 0.813 0.000 -1.621) 1.814 10.098 ( -0.039 -0.000 -0.335) 0.337 10.116 ( -0.152 -0.000 -0.555) 0.576 10.967 ( -0.022 -0.000 1.436) 1.437 11.064 ( 0.197 0.000 -0.181) 0.267 11.484 ( -0.121 -0.000 1.924) 1.928 11.659 ( -0.578 -0.000 -0.061) 0.582 14.625 ( -0.104 -0.000 0.367) 0.381 14.667 ( -0.210 -0.000 -0.094) 0.230 ======================= Grid point 124 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -7.998 -4.851 22.325) 24.205 1.638 ( -0.668 0.718 0.057) 0.983 1.853 ( -4.001 -5.443 -1.847) 7.003 1.952 ( -7.216 6.073 -2.473) 9.750 2.061 ( 3.596 -3.060 8.847) 10.028 2.216 ( 2.062 0.731 7.857) 8.155 2.258 ( -0.521 -3.277 2.123) 3.940 2.428 ( 5.665 0.696 13.404) 14.569 2.534 ( 4.289 -10.260 -4.059) 11.838 2.775 ( -1.280 9.926 -1.968) 10.200 2.862 ( -2.323 4.156 -1.505) 4.994 3.023 ( 1.922 0.242 -1.156) 2.256 3.119 ( -0.513 5.962 -0.644) 6.018 3.272 ( -2.349 -5.203 -9.701) 11.256 3.387 ( -1.073 2.366 3.029) 3.991 3.533 ( -3.522 -1.527 -5.379) 6.608 3.570 ( 3.064 1.622 -1.217) 3.674 3.693 ( 7.199 -1.280 0.521) 7.330 3.761 ( 5.713 0.659 2.425) 6.242 3.824 ( 0.033 -0.251 1.183) 1.210 3.849 ( -3.322 7.166 -5.288) 9.505 3.956 ( 3.157 -2.873 1.352) 4.477 4.056 ( 0.017 -2.777 3.139) 4.191 4.318 ( -1.416 -7.647 -6.934) 10.419 4.478 ( -2.833 -2.006 -1.842) 3.930 4.495 ( -3.745 -1.327 -6.465) 7.588 4.779 ( 3.676 1.120 3.421) 5.145 4.971 ( -1.571 0.079 3.846) 4.155 5.080 ( 1.955 0.135 0.187) 1.968 5.143 ( -0.721 7.187 -4.178) 8.344 5.531 ( -3.396 -2.084 2.383) 4.642 5.653 ( 1.962 -1.159 2.244) 3.198 5.699 ( 2.351 2.830 2.398) 4.392 6.028 ( -3.842 3.244 -5.881) 7.738 6.383 ( 2.426 -0.989 4.877) 5.536 6.597 ( -0.384 -5.917 -1.312) 6.073 8.306 ( -0.659 2.058 0.887) 2.336 8.434 ( 0.677 1.899 -1.924) 2.787 9.280 ( -0.872 0.806 -0.182) 1.202 9.325 ( 1.059 0.308 -1.316) 1.717 10.099 ( -0.047 -0.519 -0.364) 0.635 10.124 ( -0.342 -1.275 -0.793) 1.540 10.973 ( -0.102 0.150 1.712) 1.722 11.061 ( 0.202 0.396 -0.204) 0.489 11.489 ( 0.761 0.970 2.741) 3.006 11.641 ( -0.650 1.162 -0.560) 1.444 14.626 ( -0.203 -0.039 0.382) 0.434 14.662 ( -0.479 0.082 -0.367) 0.609 ======================= Grid point 125 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 2.828 -7.702 5.332) 9.785 1.628 ( 4.780 5.447 -8.150) 10.906 1.819 ( -14.043 -4.388 8.604) 17.044 1.906 ( -3.991 -6.302 -0.669) 7.489 2.046 ( -1.173 9.676 9.183) 13.392 2.229 ( -3.337 -1.031 5.520) 6.532 2.338 ( -0.338 -0.082 3.959) 3.974 2.514 ( 4.058 4.072 3.159) 6.560 2.602 ( 1.470 6.575 3.176) 7.448 2.658 ( -2.930 -2.139 -2.819) 4.594 2.842 ( -1.015 -8.746 -3.053) 9.319 2.995 ( 4.849 3.178 -0.841) 5.858 3.085 ( -2.464 -1.937 6.543) 7.255 3.291 ( -1.563 0.084 -5.105) 5.340 3.372 ( 3.578 3.444 1.563) 5.206 3.462 ( 0.126 -0.159 -6.755) 6.758 3.571 ( -10.016 6.498 -7.661) 14.186 3.627 ( 1.776 -2.754 1.874) 3.775 3.711 ( 1.931 3.119 1.258) 3.878 3.810 ( 0.174 0.060 3.026) 3.032 3.852 ( 0.809 -1.824 -7.657) 7.913 4.083 ( 7.902 -4.544 1.267) 9.203 4.177 ( 3.913 -4.405 3.008) 6.615 4.322 ( 1.078 2.925 -5.683) 6.482 4.495 ( 0.715 -4.044 -0.979) 4.222 4.547 ( -3.013 -8.768 -5.696) 10.882 4.778 ( 0.227 3.511 3.875) 5.234 4.964 ( -1.580 3.065 2.710) 4.386 4.996 ( -2.178 2.091 -1.280) 3.280 5.099 ( 1.848 0.856 0.580) 2.118 5.535 ( -3.716 -0.993 -0.192) 3.851 5.637 ( 3.407 7.012 4.105) 8.810 5.691 ( 0.288 0.438 0.559) 0.766 5.918 ( -2.979 1.850 -6.767) 7.622 6.488 ( 4.753 -3.550 7.061) 9.223 6.683 ( -2.516 -6.092 -3.034) 7.256 8.261 ( -0.305 2.857 1.057) 3.062 8.384 ( 0.496 3.176 -1.987) 3.779 9.257 ( -0.740 0.810 -0.135) 1.105 9.322 ( 1.130 0.504 -1.122) 1.670 10.116 ( 0.211 -1.385 0.074) 1.403 10.142 ( -0.418 -1.684 -0.945) 1.975 10.975 ( -0.263 0.368 1.670) 1.730 11.052 ( 0.235 0.773 -0.277) 0.854 11.492 ( 1.473 1.518 3.129) 3.776 11.602 ( -0.973 1.838 -1.251) 2.427 14.626 ( -0.290 0.039 0.417) 0.509 14.653 ( -0.550 0.114 -0.456) 0.724 ======================= Grid point 126 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 5.921 -6.080 -3.081) 9.029 1.516 ( 6.809 6.004 -9.205) 12.929 1.785 ( -6.678 7.597 8.788) 13.399 1.848 ( -12.832 4.306 8.278) 15.866 2.024 ( -2.239 -7.540 0.089) 7.865 2.221 ( -2.309 3.380 5.308) 6.703 2.341 ( -3.617 -1.286 -2.494) 4.577 2.384 ( -1.451 5.973 -2.600) 6.674 2.510 ( 5.329 2.635 5.063) 7.808 2.808 ( 1.943 -8.205 2.430) 8.775 2.914 ( 3.667 0.203 -1.013) 3.810 3.011 ( -6.127 -1.428 -7.319) 9.651 3.093 ( -6.152 1.765 4.998) 8.120 3.204 ( -5.235 -0.582 2.701) 5.919 3.331 ( 4.958 7.561 2.574) 9.401 3.446 ( 3.482 -1.315 -0.603) 3.771 3.512 ( 0.368 -4.287 -7.920) 9.013 3.631 ( -7.398 -0.253 -1.729) 7.601 3.699 ( 1.937 -1.824 -3.823) 4.658 3.816 ( -0.058 0.055 -1.896) 1.898 3.865 ( 3.714 -0.592 2.479) 4.504 4.245 ( 1.800 3.203 -2.732) 4.578 4.254 ( 8.384 -4.730 0.140) 9.627 4.298 ( 6.379 -1.714 0.733) 6.646 4.537 ( -4.561 -3.793 -6.422) 8.742 4.621 ( 0.400 -2.557 -4.998) 5.628 4.750 ( -0.208 1.641 10.377) 10.508 4.855 ( -2.300 5.803 0.506) 6.263 5.018 ( -1.012 -2.700 0.846) 3.005 5.092 ( 0.875 1.561 0.720) 1.929 5.517 ( -3.173 -1.518 -2.317) 4.212 5.566 ( 4.743 6.838 6.537) 10.583 5.680 ( -1.959 -0.484 -0.725) 2.144 5.834 ( -1.166 2.538 -6.042) 6.656 6.637 ( 4.976 -3.497 7.663) 9.783 6.721 ( -4.676 -4.271 -5.198) 8.193 8.220 ( 0.017 2.143 1.335) 2.524 8.321 ( 0.280 3.090 -1.933) 3.655 9.241 ( -0.448 0.342 0.115) 0.575 9.318 ( 1.045 0.428 -1.094) 1.572 10.147 ( 0.491 -1.508 0.552) 1.679 10.163 ( -0.366 -1.485 -0.958) 1.805 10.971 ( -0.398 0.484 1.234) 1.384 11.036 ( 0.207 1.066 -0.364) 1.145 11.497 ( 1.703 1.284 3.081) 3.747 11.552 ( -1.355 1.588 -1.798) 2.755 14.623 ( -0.308 0.150 0.492) 0.599 14.645 ( -0.350 0.073 -0.293) 0.462 ======================= Grid point 127 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 1.557 -2.329 -2.436) 3.713 1.449 ( 3.380 3.525 -7.594) 9.029 1.567 ( -2.030 11.828 4.757) 12.909 1.736 ( -12.779 -1.986 0.678) 12.951 2.080 ( 2.657 5.584 1.497) 6.362 2.199 ( -0.518 -3.162 -7.284) 7.958 2.228 ( 0.754 0.754 6.639) 6.724 2.418 ( -1.035 -1.633 -3.672) 4.150 2.591 ( 6.080 -1.417 4.720) 7.826 2.842 ( 2.457 8.297 2.553) 9.022 2.869 ( -10.633 -2.985 -5.573) 12.370 2.981 ( -0.968 -2.285 -2.260) 3.357 3.066 ( 0.307 -2.054 3.566) 4.127 3.203 ( 3.942 9.757 5.220) 11.747 3.279 ( -5.396 -6.644 3.381) 9.203 3.484 ( -0.192 0.412 -2.898) 2.934 3.545 ( -0.352 0.410 2.831) 2.882 3.595 ( -2.852 -4.786 -4.273) 7.021 3.729 ( 4.137 0.464 -5.579) 6.961 3.825 ( 0.562 -2.689 -1.162) 2.983 3.937 ( 2.614 -1.564 3.355) 4.531 4.182 ( 0.186 0.264 -9.310) 9.316 4.351 ( -0.376 -2.217 -4.172) 4.740 4.432 ( 9.924 -2.064 5.612) 11.586 4.489 ( -3.469 0.350 -3.348) 4.834 4.649 ( 0.677 -2.104 0.153) 2.216 4.709 ( -1.856 5.879 0.571) 6.191 4.797 ( -0.356 1.940 9.916) 10.110 5.041 ( -0.767 -0.797 -0.421) 1.183 5.087 ( 0.006 0.020 0.534) 0.534 5.460 ( -3.310 1.001 -3.746) 5.098 5.598 ( 6.682 1.898 4.210) 8.123 5.675 ( -3.089 -0.549 -0.593) 3.193 5.763 ( 1.260 0.434 -1.958) 2.369 6.693 ( -6.258 -2.074 -7.177) 9.745 6.760 ( 4.004 -1.237 7.126) 8.267 8.199 ( -0.181 0.953 1.030) 1.414 8.277 ( 0.457 1.036 -1.340) 1.754 9.236 ( -0.306 -0.073 0.302) 0.437 9.316 ( 0.838 0.192 -1.231) 1.502 10.171 ( -0.136 -0.435 -0.313) 0.553 10.179 ( 0.373 -0.880 0.189) 0.974 10.964 ( -0.430 0.349 0.664) 0.864 11.018 ( 0.189 0.782 -0.527) 0.961 11.498 ( -1.015 0.618 -0.529) 1.301 11.523 ( 0.785 0.254 1.342) 1.575 14.621 ( -0.197 0.152 0.617) 0.665 14.642 ( 0.001 0.027 0.049) 0.056 ======================= Grid point 133 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -10.115 -0.000 31.902) 33.467 1.540 ( -13.779 -0.000 -3.866) 14.311 1.761 ( -6.732 -0.000 5.438) 8.654 2.036 ( -6.939 -0.000 5.831) 9.064 2.072 ( 6.198 0.000 0.246) 6.203 2.142 ( -0.915 -0.000 -2.561) 2.720 2.307 ( 5.543 0.000 7.395) 9.242 2.526 ( 7.805 0.000 -0.018) 7.805 2.542 ( 4.461 0.000 14.186) 14.871 2.801 ( -6.706 -0.000 -8.435) 10.776 2.890 ( -3.817 -0.000 0.455) 3.844 3.024 ( 0.337 0.000 1.248) 1.293 3.153 ( 0.311 0.000 -6.354) 6.361 3.181 ( -1.058 -0.000 -0.589) 1.211 3.437 ( -1.665 -0.000 -2.919) 3.361 3.441 ( 2.563 0.000 1.958) 3.225 3.559 ( -6.602 -0.000 -8.788) 10.992 3.747 ( -0.131 -0.000 -8.547) 8.548 3.807 ( 14.248 0.000 3.538) 14.681 3.809 ( -4.505 -0.000 3.027) 5.427 3.951 ( -2.521 -0.000 -2.477) 3.534 3.968 ( -11.450 -0.000 -5.067) 12.521 4.038 ( 10.370 0.000 7.792) 12.971 4.164 ( 8.436 0.000 -0.275) 8.440 4.423 ( -3.691 -0.000 -1.433) 3.960 4.438 ( -1.557 -0.000 -6.078) 6.274 4.836 ( 2.739 0.000 1.809) 3.283 4.972 ( -2.051 -0.000 3.787) 4.307 5.094 ( 0.884 0.000 -0.575) 1.055 5.196 ( 1.108 0.000 -7.720) 7.799 5.465 ( -7.053 -0.000 4.752) 8.505 5.679 ( 3.875 0.000 0.675) 3.934 5.794 ( 6.153 0.000 6.891) 9.238 5.992 ( -4.694 -0.000 -6.833) 8.290 6.400 ( 0.487 0.000 3.398) 3.433 6.539 ( 0.839 0.000 -1.334) 1.576 8.322 ( -0.659 -0.000 0.814) 1.048 8.449 ( 0.905 0.000 -1.922) 2.124 9.274 ( -1.329 -0.000 -0.587) 1.453 9.335 ( 1.571 0.000 -1.027) 1.877 10.090 ( -0.244 -0.000 -0.459) 0.519 10.106 ( -0.146 -0.000 -0.774) 0.788 10.981 ( -0.279 -0.000 1.892) 1.913 11.063 ( -0.087 -0.000 -0.380) 0.389 11.524 ( 1.450 0.000 3.396) 3.693 11.643 ( -0.602 -0.000 -1.056) 1.216 14.626 ( -0.187 -0.000 0.537) 0.568 14.655 ( -0.656 -0.000 -0.488) 0.818 ======================= Grid point 134 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -3.908 -3.872 17.556) 18.398 1.505 ( -14.969 -12.198 4.700) 19.873 1.735 ( -9.274 -2.522 5.644) 11.145 1.845 ( 0.215 11.143 -5.406) 12.387 2.077 ( -7.969 -2.923 7.591) 11.387 2.312 ( 2.831 6.342 5.858) 9.086 2.366 ( 6.081 -7.882 -4.214) 10.810 2.595 ( 3.545 1.506 4.931) 6.257 2.612 ( 1.987 1.584 7.901) 8.299 2.683 ( -2.740 -0.194 -4.523) 5.292 2.790 ( -3.923 6.297 2.950) 7.984 3.038 ( -1.218 0.242 1.019) 1.606 3.139 ( -1.663 3.486 3.021) 4.903 3.172 ( -0.497 -6.300 -9.078) 11.061 3.344 ( -16.527 0.203 -13.759) 21.506 3.451 ( 5.609 -0.248 0.566) 5.643 3.513 ( -2.080 -1.585 -0.305) 2.633 3.640 ( -2.684 3.355 -6.444) 7.745 3.731 ( -6.734 3.006 -0.062) 7.375 3.843 ( 3.109 -0.482 -2.091) 3.778 3.891 ( 4.247 5.531 0.115) 6.974 4.043 ( 8.345 -7.099 0.203) 10.958 4.212 ( 9.565 -4.082 5.054) 11.563 4.322 ( 3.272 -4.890 -4.563) 7.445 4.377 ( -2.159 1.394 -2.000) 3.256 4.446 ( 2.869 -4.803 2.350) 6.069 4.846 ( 0.657 1.623 2.291) 2.883 4.973 ( -1.476 -0.173 2.788) 3.160 5.050 ( -1.667 5.067 -6.019) 8.043 5.128 ( 0.325 1.519 -0.997) 1.846 5.463 ( -5.701 -2.981 2.722) 6.986 5.709 ( 2.016 0.849 0.868) 2.354 5.827 ( 5.378 6.720 6.182) 10.597 5.895 ( -3.103 1.961 -6.757) 7.690 6.466 ( 1.148 -4.945 3.666) 6.262 6.571 ( -0.017 -3.253 -2.420) 4.054 8.304 ( -0.474 1.781 0.943) 2.070 8.430 ( 0.961 2.156 -1.899) 3.030 9.255 ( -1.254 0.330 -0.547) 1.408 9.341 ( 1.748 0.587 -0.797) 2.009 10.096 ( 0.063 -1.002 0.000) 1.004 10.111 ( -0.073 -1.018 -0.720) 1.249 10.984 ( -0.591 0.214 1.775) 1.883 11.058 ( -0.180 0.161 -0.598) 0.644 11.547 ( 1.882 1.024 3.479) 4.086 11.617 ( -0.797 1.444 -1.651) 2.334 14.627 ( -0.171 0.055 0.705) 0.727 14.646 ( -0.635 0.009 -0.413) 0.758 ======================= Grid point 135 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 2.771 -7.813 -2.689) 8.715 1.612 ( -16.350 -7.013 13.810) 22.522 1.672 ( 5.377 7.965 -7.271) 12.051 1.792 ( -6.029 -11.642 2.681) 13.381 2.037 ( -8.802 6.281 6.074) 12.403 2.213 ( -5.483 -0.522 3.005) 6.274 2.381 ( -0.450 8.041 4.221) 9.093 2.492 ( -1.508 6.927 -1.878) 7.334 2.620 ( 1.831 2.345 0.554) 3.027 2.732 ( 6.099 -1.289 3.345) 7.075 2.804 ( -7.611 -5.590 -3.100) 9.939 2.903 ( -8.375 -0.580 -6.398) 10.555 3.115 ( -2.903 0.960 7.304) 7.918 3.211 ( -2.949 1.567 -2.211) 4.005 3.263 ( -5.267 -9.336 -4.929) 11.798 3.437 ( 2.266 0.910 -7.949) 8.315 3.523 ( 7.666 1.015 1.580) 7.893 3.600 ( -6.812 2.831 -0.398) 7.388 3.673 ( 1.535 -3.632 -0.114) 3.944 3.826 ( 1.090 3.800 -0.249) 3.961 3.890 ( 3.953 -1.769 -3.778) 5.747 4.238 ( 8.614 -2.993 -0.988) 9.173 4.319 ( 1.218 2.081 0.791) 2.538 4.322 ( -5.137 -4.952 -9.463) 11.851 4.403 ( 9.843 -1.255 5.142) 11.176 4.598 ( 4.633 -3.031 -0.751) 5.587 4.824 ( -1.055 2.000 7.020) 7.375 4.918 ( -0.946 3.285 -4.468) 5.625 4.991 ( 0.515 -0.810 2.282) 2.476 5.115 ( -0.610 0.531 -0.108) 0.816 5.455 ( -4.811 -0.765 1.089) 4.992 5.684 ( -0.926 2.287 -1.009) 2.666 5.750 ( 2.993 7.924 5.599) 10.153 5.837 ( 0.317 0.748 -3.059) 3.165 6.562 ( -3.873 -4.763 -3.795) 7.217 6.642 ( 3.164 -4.609 2.926) 6.310 8.268 ( -0.164 2.417 1.299) 2.749 8.377 ( 0.816 3.613 -1.898) 4.162 9.239 ( -0.810 0.174 -0.222) 0.858 9.340 ( 1.656 0.960 -0.749) 2.055 10.125 ( 0.380 -1.812 0.031) 1.851 10.131 ( 0.234 -1.443 -0.115) 1.466 10.979 ( -0.883 0.428 1.298) 1.627 11.048 ( -0.167 0.508 -0.717) 0.895 11.556 ( 1.618 1.886 2.485) 3.514 11.566 ( -0.887 2.019 -1.446) 2.637 14.627 ( -0.207 0.177 0.763) 0.810 14.641 ( -0.312 -0.079 -0.058) 0.327 ======================= Grid point 136 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 1.882 -4.165 -6.502) 7.948 1.520 ( -7.855 6.001 -4.368) 10.807 1.603 ( -7.827 2.136 2.073) 8.373 1.819 ( 0.756 9.057 -0.372) 9.096 1.972 ( -1.152 -10.453 2.033) 10.711 2.201 ( -5.415 -0.123 0.576) 5.447 2.298 ( 0.637 2.352 6.017) 6.491 2.428 ( -2.926 2.400 -0.044) 3.785 2.564 ( -4.641 -2.724 -1.606) 5.616 2.714 ( -4.443 -1.769 -0.307) 4.793 2.839 ( 1.809 -3.777 -1.043) 4.316 2.980 ( 0.746 -4.123 0.567) 4.228 3.051 ( -2.817 2.716 -1.098) 4.064 3.158 ( -3.421 0.685 9.042) 9.692 3.341 ( -2.536 -3.465 -2.322) 4.881 3.433 ( -4.579 -2.416 -4.916) 7.139 3.554 ( 4.911 3.185 -2.026) 6.195 3.583 ( 5.557 -1.016 4.036) 6.942 3.715 ( 3.331 -1.361 -2.645) 4.466 3.808 ( -0.031 0.105 0.888) 0.895 3.936 ( 3.674 -1.890 -4.391) 6.029 4.179 ( -4.402 3.977 -5.229) 7.908 4.266 ( -3.964 -0.349 -9.983) 10.747 4.433 ( 5.755 -4.370 -1.517) 7.384 4.511 ( 5.457 -0.658 5.084) 7.487 4.642 ( 2.888 -0.484 -0.528) 2.976 4.811 ( 0.040 3.675 2.594) 4.498 4.878 ( -0.508 1.839 8.596) 8.805 5.032 ( 2.658 -0.514 0.227) 2.717 5.092 ( -1.655 0.800 0.507) 1.907 5.415 ( -3.767 0.650 -2.724) 4.694 5.622 ( -2.252 1.019 -2.384) 3.434 5.736 ( 4.278 0.776 8.676) 9.704 5.807 ( 2.664 3.620 -1.280) 4.673 6.548 ( -6.197 -3.046 -7.827) 10.437 6.772 ( 2.720 -4.195 4.348) 6.626 8.234 ( -0.028 2.143 1.454) 2.590 8.312 ( 0.655 3.215 -1.722) 3.705 9.232 ( -0.466 -0.057 0.025) 0.470 9.333 ( 1.421 0.995 -0.883) 1.946 10.151 ( 0.092 -1.305 -0.765) 1.515 10.168 ( 0.863 -1.455 0.956) 1.943 10.967 ( -0.982 0.422 0.677) 1.265 11.029 ( -0.290 0.844 -0.778) 1.184 11.502 ( -1.422 2.059 -1.874) 3.127 11.561 ( 1.569 1.359 2.429) 3.195 14.626 ( -0.163 0.170 0.785) 0.820 14.642 ( 0.063 -0.104 0.333) 0.354 ======================= Grid point 143 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -10.541 -0.000 29.595) 31.416 1.189 ( -18.762 -0.000 -4.116) 19.208 1.685 ( -8.286 -0.000 12.510) 15.006 1.928 ( -7.939 -0.000 7.325) 10.802 2.072 ( -2.244 -0.000 -5.841) 6.257 2.212 ( 7.032 0.000 -5.792) 9.110 2.518 ( 5.473 0.000 6.322) 8.362 2.532 ( -9.990 -0.000 -8.536) 13.140 2.696 ( 6.267 0.000 3.620) 7.238 2.709 ( 1.159 0.000 6.892) 6.989 2.819 ( -4.173 -0.000 4.221) 5.935 3.000 ( -26.803 -0.000 -14.612) 30.528 3.053 ( 0.863 0.000 1.690) 1.898 3.092 ( -3.168 -0.000 -4.212) 5.270 3.170 ( -0.136 -0.000 -1.267) 1.275 3.473 ( 3.023 0.000 0.606) 3.083 3.528 ( 2.632 0.000 4.485) 5.200 3.581 ( -4.008 -0.000 -14.479) 15.024 3.740 ( -3.261 -0.000 -0.608) 3.317 3.848 ( 1.086 0.000 -1.433) 1.798 3.994 ( 3.049 0.000 0.841) 3.162 4.002 ( 3.293 0.000 -2.481) 4.123 4.248 ( 9.813 0.000 2.688) 10.174 4.356 ( -1.438 -0.000 -1.050) 1.781 4.382 ( 9.075 0.000 0.470) 9.087 4.461 ( 6.267 0.000 6.660) 9.145 4.864 ( -1.038 -0.000 0.742) 1.276 4.975 ( -0.228 -0.000 2.346) 2.357 5.047 ( -1.914 -0.000 -9.052) 9.252 5.128 ( -2.337 -0.000 -2.553) 3.461 5.384 ( -6.417 -0.000 5.059) 8.171 5.753 ( 2.934 0.000 2.604) 3.923 5.840 ( -3.773 -0.000 -7.479) 8.377 6.007 ( 7.903 0.000 7.078) 10.609 6.426 ( -0.520 -0.000 2.363) 2.420 6.532 ( 0.552 0.000 -3.805) 3.844 8.319 ( -0.508 -0.000 0.952) 1.079 8.452 ( 1.264 0.000 -1.745) 2.155 9.242 ( -1.335 -0.000 -0.506) 1.427 9.362 ( 2.026 0.000 -0.629) 2.121 10.087 ( 0.081 0.000 0.162) 0.181 10.101 ( 0.238 0.000 -0.298) 0.382 10.987 ( -0.983 -0.000 1.691) 1.956 11.051 ( -0.439 -0.000 -0.916) 1.016 11.591 ( 1.939 0.000 3.312) 3.838 11.616 ( -0.618 -0.000 -2.085) 2.174 14.631 ( -0.068 -0.000 0.951) 0.954 14.638 ( -0.613 -0.000 -0.273) 0.671 ======================= Grid point 144 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -10.151 -4.121 2.575) 11.254 1.276 ( -19.521 -18.605 17.046) 31.903 1.677 ( -3.471 -0.407 7.814) 8.560 1.855 ( 3.605 9.035 -1.357) 9.822 1.965 ( -8.506 -2.449 2.947) 9.329 2.209 ( -17.580 4.944 -6.521) 19.391 2.341 ( -5.379 -3.084 -13.045) 14.444 2.573 ( -6.977 4.515 4.841) 9.618 2.699 ( -5.668 3.540 -5.764) 8.825 2.721 ( -1.670 -4.000 -1.555) 4.606 2.755 ( 5.569 3.028 5.458) 8.365 2.848 ( 2.890 0.717 7.732) 8.286 3.082 ( -1.330 -3.196 4.134) 5.392 3.115 ( -1.107 -4.087 -1.489) 4.488 3.161 ( -1.349 -0.705 -3.197) 3.541 3.424 ( -6.525 1.443 -11.515) 13.314 3.564 ( -0.044 0.747 5.417) 5.468 3.589 ( 3.295 -5.568 0.550) 6.493 3.672 ( 4.445 4.753 -2.654) 7.028 3.833 ( -0.187 -1.380 -3.592) 3.853 3.943 ( 2.257 5.020 0.861) 5.571 4.133 ( 0.033 -6.240 -6.311) 8.875 4.311 ( 4.646 2.091 0.502) 5.120 4.366 ( 4.642 -1.670 -0.879) 5.011 4.502 ( 9.100 -1.772 5.593) 10.827 4.588 ( 5.408 -3.142 2.307) 6.667 4.854 ( -2.259 -0.007 2.578) 3.428 4.909 ( -2.891 3.331 -9.953) 10.886 5.006 ( 1.572 -0.475 1.829) 2.458 5.097 ( -2.784 -0.341 -0.831) 2.926 5.391 ( -5.426 -2.929 4.460) 7.610 5.719 ( -1.166 3.760 -3.593) 5.330 5.835 ( 2.006 -1.755 1.952) 3.304 5.983 ( 4.515 11.200 5.547) 13.289 6.454 ( -2.718 -1.967 -2.472) 4.167 6.576 ( 1.732 -6.100 -1.462) 6.507 8.306 ( -0.371 1.478 1.183) 1.929 8.434 ( 1.290 2.454 -1.673) 3.238 9.230 ( -0.912 -0.092 -0.131) 0.926 9.370 ( 1.938 0.825 -0.663) 2.208 10.100 ( 0.375 -1.133 -0.066) 1.195 10.114 ( 0.548 -1.147 0.468) 1.355 10.982 ( -1.293 0.286 1.375) 1.908 11.044 ( -0.363 -0.087 -1.019) 1.085 11.582 ( -0.834 1.827 -2.220) 2.994 11.613 ( 1.755 1.075 2.672) 3.372 14.631 ( -0.357 0.114 0.361) 0.520 14.637 ( -0.088 -0.153 0.678) 0.700 ======================= Grid point 145 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -4.395 -12.177 -6.366) 14.426 1.404 ( -17.834 -6.627 9.904) 21.449 1.667 ( -10.075 6.212 -7.516) 14.021 1.773 ( -1.997 -6.622 0.846) 6.968 1.921 ( 1.188 2.307 -0.240) 2.607 2.074 ( -8.432 -7.049 2.909) 11.369 2.196 ( -11.510 0.445 -8.720) 14.447 2.440 ( -4.824 5.315 6.724) 9.835 2.630 ( 6.062 4.444 4.220) 8.620 2.743 ( 2.463 4.297 3.928) 6.321 2.788 ( -6.466 -8.174 -4.813) 11.480 2.905 ( 4.998 1.813 3.194) 6.203 3.083 ( -3.237 1.640 -1.627) 3.977 3.184 ( -0.093 -2.910 0.257) 2.923 3.217 ( 0.761 -6.313 3.626) 7.320 3.335 ( -3.818 -1.499 -2.596) 4.854 3.545 ( -1.758 -0.844 0.219) 1.962 3.669 ( 6.158 0.197 1.018) 6.244 3.724 ( 4.192 -1.525 -2.213) 4.980 3.852 ( 0.297 -1.291 -2.567) 2.888 3.892 ( 1.613 1.405 -0.687) 2.247 4.087 ( -4.761 1.435 -8.231) 9.616 4.324 ( 3.318 5.978 -4.338) 8.097 4.429 ( 6.692 -3.018 0.205) 7.344 4.558 ( 0.339 1.863 0.237) 1.908 4.655 ( 1.115 -0.874 0.499) 1.502 4.835 ( -1.023 -0.869 1.134) 1.757 4.902 ( 1.841 -2.304 -2.550) 3.899 5.063 ( 4.672 -1.116 0.664) 4.849 5.075 ( -3.420 -0.631 2.229) 4.130 5.392 ( -3.921 0.021 2.951) 4.908 5.624 ( -2.030 3.006 -3.412) 4.980 5.864 ( 3.153 7.228 6.092) 9.965 5.895 ( 4.469 1.168 4.660) 6.561 6.422 ( -4.380 -1.422 -6.222) 7.741 6.705 ( 0.803 -6.744 0.383) 6.802 8.278 ( -0.218 2.074 1.402) 2.513 8.378 ( 1.114 4.045 -1.648) 4.508 9.227 ( -0.375 -0.113 0.169) 0.426 9.364 ( 1.671 1.298 -0.859) 2.283 10.126 ( 0.515 -1.438 -0.661) 1.665 10.153 ( 1.058 -1.767 0.995) 2.287 10.968 ( -1.343 0.477 0.937) 1.706 11.033 ( -0.427 0.459 -0.967) 1.152 11.523 ( -1.156 2.515 -1.713) 3.255 11.613 ( 1.293 1.714 1.931) 2.888 14.629 ( -0.246 0.011 0.498) 0.555 14.643 ( 0.059 -0.116 0.731) 0.742 ======================= Grid point 153 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -20.855 -0.000 1.120) 20.885 0.948 ( -20.910 -0.000 26.932) 34.096 1.594 ( -23.246 -0.000 -17.823) 29.292 1.859 ( -9.536 -0.000 7.671) 12.239 1.948 ( -11.137 -0.000 8.281) 13.878 2.048 ( 6.008 0.000 -3.088) 6.755 2.275 ( -7.831 -0.000 -5.026) 9.305 2.492 ( -2.655 -0.000 -2.127) 3.402 2.644 ( -3.669 -0.000 -2.994) 4.736 2.773 ( -0.617 -0.000 0.783) 0.997 2.836 ( 4.005 0.000 2.590) 4.770 2.917 ( 3.516 0.000 7.917) 8.662 3.060 ( -0.429 -0.000 1.970) 2.016 3.076 ( -2.036 -0.000 -4.062) 4.544 3.092 ( -4.493 -0.000 -5.105) 6.801 3.335 ( -1.301 -0.000 -6.590) 6.717 3.563 ( 1.275 0.000 -1.047) 1.650 3.574 ( -4.898 -0.000 1.899) 5.254 3.737 ( 6.699 0.000 2.550) 7.168 3.875 ( 3.300 0.000 -2.036) 3.878 4.000 ( 2.514 0.000 -4.378) 5.048 4.097 ( 5.165 0.000 5.358) 7.442 4.362 ( 1.753 0.000 0.953) 1.995 4.364 ( 4.825 0.000 -2.946) 5.654 4.560 ( 5.567 0.000 -1.585) 5.788 4.631 ( 5.169 0.000 4.397) 6.786 4.829 ( -2.078 -0.000 0.403) 2.116 4.860 ( -6.324 -0.000 -12.130) 13.679 5.029 ( 2.538 0.000 4.374) 5.057 5.055 ( -3.800 -0.000 -1.206) 3.987 5.331 ( -5.004 -0.000 6.031) 7.836 5.726 ( -1.507 -0.000 -4.804) 5.035 5.864 ( 4.228 0.000 8.665) 9.642 6.189 ( 5.810 0.000 2.367) 6.274 6.432 ( -0.840 -0.000 1.824) 2.008 6.460 ( -2.246 -0.000 -9.691) 9.948 8.321 ( -0.439 -0.000 1.254) 1.328 8.462 ( 1.443 0.000 -1.523) 2.098 9.220 ( -0.845 -0.000 0.262) 0.885 9.392 ( 1.857 0.000 -0.822) 2.031 10.095 ( 0.293 0.000 0.583) 0.652 10.108 ( 0.500 0.000 0.163) 0.526 10.979 ( -1.452 -0.000 1.611) 2.169 11.033 ( -0.342 -0.000 -1.088) 1.140 11.584 ( -0.376 -0.000 -2.431) 2.460 11.649 ( 1.347 0.000 2.078) 2.477 14.628 ( -0.364 -0.000 0.083) 0.374 14.640 ( -0.062 -0.000 1.043) 1.045 ======================= Grid point 154 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -14.453 -10.537 1.960) 17.993 1.030 ( -26.255 -13.522 -0.703) 29.541 1.276 ( -31.257 -12.811 -0.884) 33.792 1.791 ( -5.786 0.874 2.180) 6.244 1.968 ( -0.847 4.720 8.500) 9.760 2.072 ( 6.404 2.126 -1.223) 6.858 2.185 ( 2.465 1.783 4.680) 5.582 2.481 ( -5.991 2.191 0.543) 6.402 2.562 ( -7.689 -3.897 -7.219) 11.244 2.746 ( 0.156 2.461 0.599) 2.538 2.846 ( 0.263 2.604 1.025) 2.811 2.989 ( 0.894 -1.553 -5.917) 6.183 3.019 ( -1.110 -2.729 -2.645) 3.959 3.089 ( 0.423 -3.280 -3.288) 4.664 3.128 ( 1.351 -5.726 4.666) 7.509 3.315 ( -0.302 1.416 5.725) 5.905 3.531 ( -2.820 0.101 -1.889) 3.395 3.616 ( -2.461 -6.388 -4.231) 8.048 3.806 ( 6.356 1.689 1.284) 6.700 3.826 ( 4.089 5.802 2.235) 7.442 4.021 ( 5.519 3.113 3.624) 7.299 4.095 ( 2.341 4.117 -2.949) 5.579 4.402 ( 4.558 -0.324 -2.329) 5.129 4.436 ( 2.887 -2.125 0.131) 3.587 4.573 ( -0.283 -0.491 -7.368) 7.389 4.643 ( -4.674 4.196 -3.337) 7.113 4.789 ( -0.209 -3.721 -0.667) 3.787 4.838 ( 2.336 -3.601 -3.428) 5.493 5.017 ( -4.276 -0.569 -0.986) 4.425 5.098 ( 3.444 -1.852 5.036) 6.376 5.350 ( -4.050 -2.578 4.843) 6.819 5.657 ( -1.095 3.952 -1.576) 4.393 5.986 ( 6.479 -0.086 10.274) 12.146 6.081 ( 2.199 10.640 -0.322) 10.870 6.357 ( -2.803 0.414 -4.331) 5.175 6.557 ( -1.563 -8.734 -3.383) 9.496 8.312 ( -0.392 1.296 1.351) 1.913 8.443 ( 1.317 2.676 -1.498) 3.338 9.221 ( -0.273 -0.411 0.532) 0.726 9.395 ( 1.562 0.929 -1.076) 2.112 10.108 ( 0.638 -0.870 -0.444) 1.167 10.134 ( 0.886 -1.939 0.548) 2.201 10.970 ( -1.217 0.525 1.795) 2.231 11.029 ( -0.153 -0.080 -0.880) 0.897 11.546 ( -0.956 2.127 -1.754) 2.918 11.657 ( 0.822 1.143 1.367) 1.962 14.627 ( -0.269 -0.103 0.208) 0.355 14.645 ( -0.103 -0.109 0.791) 0.805 ======================= Grid point 163 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -42.246 -0.000 -26.382) 49.807 0.509 ( -16.144 -0.000 17.254) 23.629 0.922 ( -26.651 -0.000 31.984) 41.632 1.723 ( -9.159 -0.000 2.539) 9.504 2.081 ( 1.557 0.000 -4.988) 5.225 2.100 ( 1.208 0.000 11.464) 11.527 2.319 ( 9.364 0.000 9.064) 13.033 2.406 ( -3.279 -0.000 -2.422) 4.076 2.479 ( -5.528 -0.000 -9.807) 11.258 2.714 ( -15.533 -0.000 -8.509) 17.711 2.742 ( -2.470 -0.000 -4.481) 5.117 2.923 ( 4.203 0.000 -7.414) 8.522 2.994 ( -2.252 -0.000 4.298) 4.852 3.087 ( 1.035 0.000 -2.466) 2.675 3.130 ( 5.843 0.000 1.663) 6.075 3.377 ( 3.077 0.000 4.951) 5.829 3.460 ( -6.493 -0.000 2.166) 6.845 3.515 ( -2.398 -0.000 -4.777) 5.345 3.869 ( 2.746 0.000 1.515) 3.137 4.030 ( 4.717 0.000 -5.647) 7.358 4.054 ( 10.471 0.000 11.732) 15.725 4.242 ( 5.012 0.000 -3.679) 6.218 4.408 ( 4.552 0.000 -6.180) 7.676 4.412 ( 2.636 0.000 1.635) 3.101 4.503 ( -0.930 -0.000 -10.613) 10.654 4.633 ( -6.344 -0.000 -4.331) 7.681 4.746 ( 0.662 0.000 3.951) 4.006 4.805 ( -0.891 -0.000 -0.895) 1.263 4.979 ( -2.268 -0.000 -1.154) 2.545 5.124 ( 1.756 0.000 5.840) 6.098 5.301 ( -4.321 -0.000 4.144) 5.987 5.714 ( 1.606 0.000 2.839) 3.262 6.074 ( -13.993 -0.000 -21.065) 25.289 6.161 ( 14.997 0.000 15.024) 21.228 6.337 ( -0.859 -0.000 -0.181) 0.878 6.433 ( -0.950 -0.000 1.787) 2.024 8.326 ( -0.522 -0.000 1.443) 1.535 8.473 ( 1.214 0.000 -1.483) 1.916 9.215 ( -0.446 -0.000 1.066) 1.155 9.411 ( 1.224 0.000 -1.415) 1.871 10.102 ( -0.049 -0.000 0.189) 0.195 10.115 ( 0.124 0.000 -0.551) 0.565 10.989 ( 0.869 0.000 3.902) 3.998 11.023 ( 0.205 0.000 -0.611) 0.645 11.550 ( -1.120 -0.000 -2.278) 2.538 11.677 ( 0.215 0.000 0.646) 0.681 14.624 ( -0.226 -0.000 0.132) 0.262 14.644 ( -0.361 -0.000 0.497) 0.615 ======================= Grid point 164 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 20.900 0.000 22.574) 30.764 1.149 ( 3.708 0.000 24.309) 24.590 1.491 ( -13.147 -0.000 -9.962) 16.495 1.543 ( -3.474 -0.000 -7.780) 8.521 1.981 ( 4.571 0.000 19.636) 20.161 2.154 ( -10.140 -0.000 -4.361) 11.038 2.166 ( 7.089 0.000 1.928) 7.346 2.272 ( -8.210 -0.000 -3.522) 8.933 2.318 ( -6.837 -0.000 2.269) 7.204 2.650 ( 0.890 0.000 8.862) 8.907 2.695 ( 3.045 0.000 -14.730) 15.041 2.824 ( 9.819 0.000 6.471) 11.759 2.930 ( -7.949 -0.000 -2.366) 8.293 2.989 ( 3.337 0.000 -22.112) 22.363 3.134 ( 1.552 0.000 3.268) 3.618 3.234 ( 3.104 0.000 -3.999) 5.063 3.618 ( -6.215 -0.000 7.990) 10.122 3.700 ( 4.796 0.000 6.241) 7.871 3.796 ( -5.982 -0.000 -3.857) 7.118 3.802 ( 6.413 0.000 -10.659) 12.439 3.999 ( -4.539 -0.000 3.715) 5.865 4.116 ( 1.040 0.000 -7.687) 7.757 4.398 ( -1.866 -0.000 2.583) 3.186 4.457 ( 2.537 0.000 -2.491) 3.556 4.602 ( 0.162 0.000 3.092) 3.096 4.662 ( -3.448 -0.000 -2.334) 4.163 4.704 ( 13.292 0.000 2.212) 13.475 4.727 ( -7.947 -0.000 -1.263) 8.047 5.051 ( 6.052 0.000 5.047) 7.880 5.158 ( -5.923 -0.000 -4.464) 7.417 5.362 ( 2.210 0.000 6.074) 6.464 5.474 ( -5.007 -0.000 -4.750) 6.902 6.026 ( 4.207 0.000 9.066) 9.995 6.182 ( -5.084 -0.000 -6.226) 8.038 6.490 ( -3.455 -0.000 4.001) 5.286 6.577 ( 6.784 0.000 -3.933) 7.841 8.373 ( -1.084 -0.000 2.597) 2.814 8.429 ( 1.182 0.000 -2.674) 2.923 9.274 ( -0.356 -0.000 3.159) 3.179 9.345 ( 0.443 0.000 -3.491) 3.519 10.086 ( -0.787 -0.000 -0.221) 0.817 10.090 ( 0.778 0.000 -0.629) 1.000 11.033 ( 1.387 0.000 0.158) 1.396 11.036 ( -1.711 -0.000 -0.053) 1.712 11.595 ( 2.319 0.000 2.582) 3.470 11.642 ( -2.009 -0.000 -1.814) 2.707 14.627 ( 0.254 0.000 0.250) 0.357 14.632 ( -0.668 -0.000 -0.252) 0.714 ======================= Grid point 165 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -12.342 7.293 -19.036) 23.831 1.193 ( 9.442 11.721 24.710) 28.932 1.440 ( 5.813 -5.769 14.760) 16.879 1.560 ( -2.623 -7.845 -10.460) 13.335 2.042 ( -10.129 -2.011 -4.650) 11.325 2.138 ( -4.686 4.039 -5.718) 8.425 2.239 ( 11.583 -2.853 -1.682) 12.047 2.281 ( 12.761 -1.480 4.888) 13.745 2.425 ( 1.597 -9.984 23.597) 25.672 2.595 ( 0.542 2.616 -0.233) 2.682 2.784 ( 0.638 -2.550 -0.242) 2.639 2.841 ( -1.482 -3.196 -1.922) 4.013 2.942 ( -4.609 -2.211 -6.160) 8.005 3.058 ( 4.235 -8.718 -7.854) 12.475 3.109 ( 2.507 2.254 -5.282) 6.266 3.194 ( 7.408 1.958 -1.988) 7.916 3.575 ( -8.353 2.000 9.609) 12.888 3.718 ( -2.077 1.348 1.938) 3.144 3.776 ( 2.752 -0.771 -0.455) 2.893 3.831 ( 7.278 0.278 -11.424) 13.548 4.019 ( -4.587 -3.201 6.030) 8.225 4.140 ( 2.440 -4.636 -3.920) 6.543 4.404 ( -3.380 -1.943 2.031) 4.396 4.451 ( -2.679 -0.657 -3.987) 4.848 4.588 ( -0.706 4.170 2.473) 4.900 4.605 ( 0.059 2.269 0.582) 2.343 4.656 ( -8.972 -2.735 -3.773) 10.109 4.828 ( 10.332 -0.764 -0.164) 10.362 5.070 ( -3.318 1.381 -3.434) 4.971 5.096 ( 3.335 2.883 2.587) 5.111 5.470 ( -1.971 -4.302 -3.384) 5.818 5.497 ( 5.529 -5.687 7.228) 10.731 5.955 ( -5.456 11.888 -2.929) 13.404 5.996 ( 2.868 10.476 4.419) 11.726 6.541 ( -3.839 -6.179 2.766) 7.782 6.640 ( 1.521 -3.450 -4.148) 5.605 8.356 ( -1.171 2.114 2.368) 3.383 8.407 ( 1.167 2.264 -2.522) 3.585 9.283 ( -0.331 0.391 3.004) 3.047 9.327 ( 0.430 0.580 -3.347) 3.424 10.092 ( -0.696 -1.381 -0.346) 1.584 10.109 ( 1.044 -1.360 -0.155) 1.722 11.005 ( -1.804 1.157 0.512) 2.203 11.036 ( 1.163 1.054 -0.080) 1.572 11.606 ( -2.266 0.675 -1.988) 3.089 11.620 ( 1.746 0.992 2.189) 2.971 14.626 ( -0.414 -0.011 0.015) 0.414 14.633 ( 0.456 -0.066 0.359) 0.584 ======================= Grid point 166 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.533 -3.953 -17.200) 17.715 1.208 ( 4.319 5.120 16.561) 17.864 1.587 ( 2.258 -5.798 -11.451) 13.033 1.684 ( 0.299 -3.902 7.851) 8.772 1.948 ( -6.707 3.016 -7.419) 10.446 2.053 ( -1.421 -1.976 4.278) 4.922 2.327 ( 1.735 0.617 2.437) 3.055 2.410 ( 10.487 -1.726 -2.163) 10.846 2.542 ( -2.800 -0.554 0.028) 2.855 2.694 ( 4.968 -0.058 9.579) 10.791 2.775 ( 1.387 2.085 0.517) 2.557 2.828 ( -2.468 -1.692 -1.677) 3.430 2.998 ( 4.048 -8.602 -7.387) 12.039 3.135 ( 3.237 -2.994 5.702) 7.208 3.259 ( 5.539 -7.708 -3.318) 10.055 3.301 ( 6.401 -4.262 -1.522) 7.839 3.520 ( -6.488 -0.219 11.760) 13.433 3.673 ( -2.712 1.643 1.200) 3.390 3.791 ( 4.358 3.191 -9.714) 11.114 3.819 ( 4.280 -0.237 -3.254) 5.381 4.035 ( -6.514 -3.025 4.114) 8.277 4.203 ( -0.091 -0.202 -7.742) 7.745 4.350 ( -9.233 4.040 -3.412) 10.639 4.404 ( -3.520 -0.729 -0.844) 3.693 4.543 ( 1.754 0.490 0.975) 2.066 4.610 ( 3.611 -1.040 2.008) 4.261 4.615 ( -5.620 -2.146 -2.482) 6.508 4.921 ( 5.144 -0.592 2.067) 5.575 5.017 ( -0.847 -0.901 -4.637) 4.799 5.081 ( 1.807 3.560 5.239) 6.587 5.510 ( -0.655 -2.984 -3.654) 4.763 5.613 ( 1.148 4.511 6.309) 7.840 5.740 ( -1.968 5.146 1.044) 5.608 5.889 ( 4.935 5.399 2.572) 7.754 6.590 ( -5.715 -3.907 -5.037) 8.562 6.701 ( 0.789 -4.305 1.685) 4.690 8.305 ( -1.299 3.402 1.800) 4.062 8.357 ( 1.255 3.256 -1.936) 3.991 9.282 ( -0.487 0.814 2.345) 2.530 9.304 ( 0.469 0.727 -2.722) 2.856 10.113 ( -0.609 -1.785 -0.334) 1.916 10.148 ( 0.845 -1.771 0.436) 2.010 10.979 ( -0.941 0.629 0.796) 1.384 11.021 ( 0.905 1.428 -0.770) 1.858 11.552 ( -2.473 1.638 -2.205) 3.696 11.618 ( 1.030 1.921 2.256) 3.137 14.625 ( -0.151 -0.119 0.335) 0.386 14.640 ( 0.608 -0.002 0.476) 0.772 ======================= Grid point 167 (74/115) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 7.817 -9.092 -7.731) 14.267 1.247 ( -0.006 -2.720 5.197) 5.866 1.556 ( 3.856 10.484 -4.985) 12.232 1.657 ( -6.452 -3.524 -12.190) 14.235 1.900 ( 0.566 0.336 8.807) 8.831 2.122 ( -0.834 -4.967 0.218) 5.041 2.363 ( -1.607 -0.586 8.981) 9.142 2.389 ( 1.231 3.478 -4.067) 5.491 2.623 ( 4.933 -5.339 -2.157) 7.583 2.676 ( -0.034 3.685 5.153) 6.335 2.811 ( 5.689 -1.098 -0.337) 5.804 2.972 ( 2.727 -8.236 0.678) 8.702 3.120 ( 5.073 -2.361 -5.464) 7.821 3.194 ( -1.910 -1.679 4.653) 5.303 3.308 ( 0.018 0.595 -2.218) 2.296 3.369 ( 3.062 -0.841 -1.987) 3.746 3.601 ( -0.430 -1.930 4.640) 5.044 3.625 ( -3.580 1.606 1.947) 4.380 3.746 ( -0.795 0.859 1.532) 1.928 3.835 ( 4.525 -0.378 -7.797) 9.023 4.054 ( -6.658 4.138 -11.115) 13.601 4.078 ( -0.243 -0.510 7.087) 7.110 4.214 ( -5.672 -0.892 -7.074) 9.111 4.363 ( -2.732 0.044 -3.771) 4.657 4.567 ( -1.153 -1.986 4.220) 4.804 4.625 ( 3.578 -0.475 0.842) 3.707 4.712 ( 2.400 -5.158 1.279) 5.832 4.961 ( 3.234 2.317 5.956) 7.163 5.013 ( 0.197 0.639 -0.068) 0.672 5.082 ( -0.969 -0.896 1.788) 2.222 5.486 ( 0.163 5.305 -4.157) 6.741 5.552 ( -0.464 0.200 -1.015) 1.134 5.651 ( -0.800 4.167 4.886) 6.472 5.928 ( 5.535 0.487 4.645) 7.242 6.533 ( -7.297 -0.939 -8.621) 11.333 6.812 ( 1.489 -4.938 3.113) 6.024 8.242 ( -1.228 2.906 1.231) 3.387 8.306 ( 1.244 2.836 -1.289) 3.354 9.268 ( -0.663 0.938 0.725) 1.358 9.289 ( 0.550 0.445 -1.208) 1.400 10.137 ( -0.425 -1.541 -0.260) 1.620 10.184 ( 0.471 -1.218 0.626) 1.448 10.972 ( -0.431 0.102 0.836) 0.946 11.001 ( 0.693 1.013 -1.181) 1.703 11.490 ( -2.103 1.752 -1.623) 3.182 11.600 ( 0.575 1.846 1.700) 2.574 14.630 ( 0.028 -0.199 0.606) 0.638 14.648 ( 0.591 0.074 0.474) 0.761 ======================= Grid point 168 (75/115) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -8.207 -1.581 -5.372) 9.935 1.360 ( 4.890 11.688 -2.783) 12.972 1.443 ( 0.832 -6.727 -1.227) 6.888 1.623 ( 1.408 -2.123 -3.315) 4.181 1.996 ( 1.368 -6.815 3.546) 7.803 2.187 ( 2.038 0.305 -2.294) 3.084 2.309 ( -3.123 -0.056 -2.491) 3.995 2.424 ( -0.205 0.527 4.459) 4.495 2.651 ( 3.720 -0.646 4.080) 5.559 2.705 ( -1.713 2.294 -0.945) 3.015 2.850 ( 5.389 0.459 -2.756) 6.070 3.075 ( -3.016 0.594 3.504) 4.662 3.084 ( 1.026 -3.288 -5.357) 6.369 3.268 ( -0.629 0.153 -2.295) 2.385 3.316 ( -1.286 -1.502 7.136) 7.405 3.426 ( 3.883 -2.966 1.719) 5.180 3.557 ( -0.104 4.079 -0.520) 4.113 3.612 ( -1.951 -1.737 -1.124) 2.844 3.735 ( -0.609 1.001 4.298) 4.454 3.831 ( 1.103 1.391 -2.950) 3.443 3.907 ( -3.623 0.979 -7.487) 8.375 4.084 ( 1.508 1.053 -6.706) 6.953 4.178 ( -3.137 1.049 3.910) 5.122 4.333 ( -0.861 -2.335 -6.890) 7.326 4.640 ( 0.970 -1.889 5.428) 5.828 4.687 ( 3.594 -0.746 2.949) 4.708 4.831 ( 1.153 -6.967 -0.176) 7.064 4.959 ( 2.215 5.484 8.340) 10.225 5.007 ( -1.497 -0.330 0.630) 1.658 5.075 ( -1.665 -0.256 -1.433) 2.211 5.346 ( -1.784 4.695 -3.051) 5.877 5.542 ( -0.280 -0.065 -4.053) 4.063 5.666 ( 1.815 -1.477 2.776) 3.631 5.996 ( 6.069 1.087 7.568) 9.761 6.419 ( -7.598 0.511 -9.377) 12.079 6.903 ( 1.110 -2.061 2.354) 3.320 8.203 ( -0.777 0.773 0.623) 1.260 8.273 ( 0.899 1.470 -0.681) 1.852 9.250 ( -0.639 0.632 0.326) 0.956 9.287 ( 0.723 -0.078 -0.906) 1.162 10.153 ( -0.146 -0.690 -0.247) 0.747 10.204 ( 0.272 -0.364 0.475) 0.657 10.970 ( -0.592 0.068 0.778) 0.981 10.991 ( 0.515 0.168 -1.166) 1.286 11.445 ( -1.273 0.672 -0.912) 1.704 11.588 ( 0.400 0.790 1.128) 1.434 14.637 ( 0.004 -0.164 0.625) 0.646 14.653 ( 0.399 0.093 0.344) 0.535 ======================= Grid point 169 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -2.594 -5.593 -5.034) 7.959 1.271 ( 5.923 1.523 5.230) 8.047 1.426 ( -9.187 -2.193 -2.531) 9.779 1.675 ( -0.421 3.062 -6.225) 6.950 2.069 ( 5.029 2.296 -3.574) 6.583 2.172 ( -4.064 0.530 -0.478) 4.126 2.267 ( -0.145 1.109 2.406) 2.653 2.402 ( -0.102 -0.824 0.824) 1.170 2.669 ( -4.177 -1.973 6.178) 7.714 2.775 ( 1.601 -5.748 1.833) 6.242 2.843 ( 1.607 1.777 -8.817) 9.137 2.997 ( -4.934 7.188 2.240) 9.002 3.082 ( 1.413 2.408 0.638) 2.864 3.262 ( 1.921 -0.423 -0.285) 1.987 3.351 ( 0.327 -1.292 2.932) 3.221 3.489 ( -2.144 0.044 -1.045) 2.385 3.510 ( 2.644 2.605 3.295) 4.963 3.623 ( -1.356 -2.413 -2.029) 3.432 3.725 ( -3.523 -1.187 1.183) 3.901 3.835 ( 5.025 1.645 -5.498) 7.627 3.863 ( 0.216 -0.034 6.558) 6.561 3.993 ( -4.610 2.858 -6.018) 8.102 4.166 ( 3.927 2.313 4.564) 6.450 4.363 ( 2.177 -3.319 -7.498) 8.484 4.661 ( -2.255 1.537 2.455) 3.671 4.717 ( 2.352 2.835 1.850) 4.122 4.846 ( -0.865 2.451 -1.575) 3.039 4.995 ( -0.978 0.838 3.158) 3.411 5.038 ( -1.128 -6.175 0.073) 6.278 5.058 ( 0.892 -1.994 -0.270) 2.201 5.312 ( -0.461 -2.168 0.907) 2.395 5.518 ( 0.380 0.521 -2.902) 2.973 5.712 ( 0.600 -2.169 -1.700) 2.820 6.060 ( 3.107 1.780 5.309) 6.404 6.321 ( -2.559 -0.260 -3.820) 4.606 6.917 ( 0.092 2.190 0.974) 2.399 8.212 ( -0.009 -2.011 0.007) 2.011 8.266 ( 0.266 -0.192 -0.149) 0.360 9.240 ( -0.493 0.132 0.768) 0.922 9.296 ( 1.005 -0.718 -1.360) 1.837 10.154 ( 0.170 0.459 -0.313) 0.581 10.207 ( 0.238 0.421 0.187) 0.519 10.968 ( -0.818 -0.222 0.887) 1.226 10.991 ( 0.190 -0.263 -1.067) 1.115 11.437 ( -0.251 -0.870 -0.171) 0.922 11.593 ( 0.225 -0.625 0.583) 0.884 14.640 ( -0.150 0.007 0.348) 0.379 14.655 ( 0.048 0.035 0.161) 0.171 ======================= Grid point 170 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -6.228 8.029 -4.246) 11.012 1.346 ( -3.673 6.160 10.300) 12.551 1.436 ( 1.851 4.053 -12.939) 13.685 1.502 ( -5.592 -15.097 4.668) 16.762 2.040 ( -4.746 5.071 -2.350) 7.332 2.134 ( 9.320 2.415 0.614) 9.647 2.290 ( 0.006 -3.043 3.238) 4.443 2.458 ( -2.731 -3.411 2.823) 5.202 2.677 ( -6.575 2.295 -2.003) 7.247 2.751 ( -2.562 -0.643 -6.988) 7.471 2.761 ( -6.686 9.076 8.368) 14.039 2.885 ( 0.667 -2.296 -5.829) 6.300 3.086 ( 6.712 2.806 4.835) 8.735 3.252 ( -3.885 9.542 -2.833) 10.685 3.335 ( 0.879 -0.453 -0.350) 1.049 3.426 ( -4.593 -2.371 -5.467) 7.524 3.525 ( 0.945 0.845 8.555) 8.648 3.676 ( 0.153 -3.266 1.682) 3.677 3.703 ( 0.110 1.003 -2.626) 2.813 3.822 ( -1.521 4.708 -0.614) 4.985 3.893 ( 5.811 -4.022 1.417) 7.208 4.014 ( 4.765 -4.581 7.278) 9.831 4.214 ( 4.993 -0.465 0.005) 5.015 4.382 ( 1.344 -0.627 -6.935) 7.092 4.595 ( 0.304 5.568 1.875) 5.883 4.643 ( -3.856 1.980 -1.428) 4.564 4.798 ( -2.373 1.851 -6.592) 7.246 4.964 ( -0.093 2.340 4.197) 4.806 5.017 ( -1.951 0.914 -1.416) 2.578 5.176 ( 0.364 -3.728 -1.757) 4.138 5.393 ( -1.542 -4.743 3.700) 6.210 5.525 ( 2.915 -1.402 -0.257) 3.245 5.766 ( 0.089 -6.463 -4.890) 8.105 6.018 ( -3.665 2.057 -2.171) 4.731 6.362 ( 5.198 -0.544 5.955) 7.924 6.841 ( -0.688 6.115 0.048) 6.154 8.267 ( 0.217 -3.806 -0.037) 3.812 8.284 ( 0.137 -1.836 -0.206) 1.852 9.243 ( -0.351 -0.235 1.349) 1.414 9.316 ( 1.125 -1.207 -1.956) 2.559 10.139 ( 0.438 1.300 -0.421) 1.435 10.195 ( 0.077 1.193 -0.304) 1.234 10.973 ( -0.895 -0.659 1.215) 1.647 10.993 ( 0.070 -0.553 -0.962) 1.111 11.466 ( 0.590 -1.866 0.649) 2.062 11.617 ( 0.015 -1.713 0.081) 1.715 14.637 ( -0.263 0.203 0.011) 0.332 14.654 ( -0.366 -0.044 -0.043) 0.371 ======================= Grid point 171 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -10.300 18.579 3.822) 21.584 1.191 ( -5.733 8.692 18.959) 21.630 1.556 ( 3.770 -9.731 -12.571) 16.338 1.716 ( 0.007 -8.040 7.598) 11.062 1.874 ( -4.675 7.220 0.563) 8.620 2.125 ( 3.290 5.382 1.388) 6.458 2.384 ( -2.167 -5.158 -1.048) 5.692 2.467 ( -2.409 1.068 -4.689) 5.379 2.498 ( -7.766 2.693 -0.865) 8.265 2.577 ( -3.233 9.444 10.482) 14.474 2.768 ( 0.044 -2.733 -2.692) 3.836 2.932 ( -6.751 3.884 -8.149) 11.273 2.961 ( 0.961 3.158 -0.601) 3.355 3.111 ( 5.065 3.240 1.362) 6.165 3.342 ( -8.102 -1.729 -3.227) 8.890 3.389 ( 1.084 3.846 -4.641) 6.124 3.561 ( -3.773 -0.889 9.601) 10.354 3.617 ( 1.776 4.584 1.239) 5.069 3.729 ( 1.555 2.200 -1.596) 3.132 3.832 ( 2.467 -6.073 -1.472) 6.718 4.010 ( 3.963 -0.900 1.074) 4.203 4.186 ( 3.887 -1.809 -2.460) 4.943 4.258 ( 9.539 -4.086 2.083) 10.585 4.395 ( 1.967 -2.098 -0.880) 3.008 4.517 ( -2.062 4.351 1.933) 5.188 4.583 ( 0.578 2.168 0.436) 2.285 4.717 ( -2.692 -0.234 -6.082) 6.655 4.925 ( -1.832 4.253 1.755) 4.952 4.967 ( -1.049 0.929 -0.433) 1.467 5.208 ( -0.376 -2.283 -4.180) 4.778 5.416 ( -1.531 1.882 4.608) 5.207 5.627 ( 2.697 -5.884 2.253) 6.854 5.863 ( -2.453 -2.841 -7.985) 8.823 5.951 ( -5.101 -5.777 -3.346) 8.401 6.444 ( 5.958 1.467 7.473) 9.669 6.717 ( 0.579 7.244 0.806) 7.311 8.316 ( -1.076 -2.439 1.806) 3.220 8.347 ( 1.411 -4.061 -2.045) 4.761 9.252 ( -0.363 -0.265 1.937) 1.988 9.337 ( 0.974 -1.284 -2.593) 3.053 10.116 ( 0.580 1.476 -0.553) 1.680 10.163 ( -0.436 1.935 -0.897) 2.177 10.987 ( -0.130 -1.015 0.799) 1.299 11.005 ( -0.178 -1.133 0.017) 1.147 11.512 ( 1.118 -1.716 1.536) 2.561 11.648 ( -0.335 -1.843 -0.516) 1.943 14.630 ( -0.226 0.231 -0.089) 0.335 14.649 ( -0.668 -0.023 -0.254) 0.715 ======================= Grid point 172 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 18.155 -6.693 27.148) 33.338 1.121 ( -0.617 7.679 24.537) 25.718 1.567 ( -9.724 -2.099 -6.361) 11.808 1.711 ( -6.345 6.518 0.907) 9.142 1.899 ( 8.212 -3.662 4.680) 10.137 2.077 ( -0.325 0.299 -0.039) 0.443 2.308 ( -7.876 1.090 -10.569) 13.226 2.375 ( -9.001 2.932 0.985) 9.518 2.415 ( -5.648 2.348 4.006) 7.312 2.576 ( -0.072 -0.908 8.893) 8.940 2.716 ( 4.633 3.830 -2.623) 6.558 2.811 ( -0.276 1.154 1.212) 1.696 3.033 ( 0.201 1.165 1.822) 2.172 3.060 ( 4.095 1.273 -7.138) 8.327 3.173 ( -3.275 8.535 -17.013) 19.313 3.265 ( -4.819 1.597 -3.879) 6.389 3.593 ( -2.947 -2.246 9.802) 10.479 3.630 ( 3.023 0.633 5.931) 6.687 3.746 ( 5.079 -1.924 -4.006) 6.749 3.890 ( -3.310 -2.158 -8.279) 9.173 4.019 ( -0.422 0.320 0.745) 0.914 4.178 ( 1.735 2.748 -5.246) 6.171 4.412 ( 0.233 0.652 0.389) 0.794 4.438 ( 3.035 -0.279 -1.263) 3.299 4.517 ( 13.521 -0.687 7.782) 15.615 4.588 ( -0.431 -1.846 1.271) 2.282 4.694 ( -2.159 -1.738 -4.521) 5.303 4.822 ( -4.989 3.467 -0.054) 6.076 4.975 ( 2.192 -0.776 2.574) 3.469 5.208 ( -2.328 -1.252 -4.357) 5.096 5.375 ( 0.135 4.084 4.961) 6.427 5.639 ( -10.036 5.462 -5.880) 12.851 5.854 ( 4.471 -7.231 5.172) 9.951 6.103 ( -3.723 -13.287 -4.887) 14.638 6.488 ( 4.332 2.504 6.003) 7.815 6.620 ( 3.297 6.707 -0.231) 7.477 8.355 ( -1.087 -1.773 2.334) 3.126 8.408 ( 1.300 -2.522 -2.456) 3.753 9.263 ( -0.426 -0.105 2.638) 2.674 9.350 ( 0.655 -0.801 -3.176) 3.340 10.096 ( 0.614 0.989 -0.662) 1.339 10.116 ( -0.948 1.909 -0.792) 2.274 11.012 ( 1.232 -0.904 -0.103) 1.532 11.028 ( -0.848 -1.665 0.737) 2.009 11.557 ( 1.693 -0.833 2.371) 3.030 11.660 ( -1.167 -0.728 -1.325) 1.910 14.626 ( -0.022 0.110 0.039) 0.119 14.641 ( -0.765 0.029 -0.324) 0.831 ======================= Grid point 174 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -11.690 -0.000 -22.921) 25.729 1.298 ( -4.464 -0.000 -14.544) 15.214 1.532 ( 10.889 0.000 19.452) 22.292 1.574 ( 4.979 0.000 21.911) 22.470 1.939 ( -5.592 -0.000 -3.016) 6.354 2.063 ( -5.474 -0.000 -8.625) 10.216 2.271 ( 2.497 0.000 0.352) 2.522 2.403 ( 10.811 0.000 4.609) 11.752 2.558 ( 7.825 0.000 12.676) 14.897 2.667 ( 7.073 0.000 -10.887) 12.983 2.727 ( 5.782 0.000 16.552) 17.533 2.776 ( -0.345 -0.000 -1.172) 1.222 2.849 ( 6.742 0.000 -16.474) 17.800 3.042 ( 3.038 0.000 -1.110) 3.235 3.182 ( 3.568 0.000 0.459) 3.597 3.184 ( -2.197 -0.000 -6.954) 7.293 3.565 ( -5.776 -0.000 7.172) 9.209 3.695 ( -1.050 -0.000 -1.746) 2.038 3.815 ( 4.919 0.000 -0.030) 4.919 3.839 ( 2.940 0.000 -5.806) 6.508 3.998 ( -2.626 -0.000 7.673) 8.110 4.095 ( 2.349 0.000 -3.582) 4.283 4.357 ( -5.161 -0.000 3.830) 6.427 4.375 ( -8.522 -0.000 -2.911) 9.005 4.515 ( -8.582 -0.000 -6.223) 10.601 4.631 ( -1.310 -0.000 5.339) 5.497 4.649 ( 2.115 0.000 0.077) 2.117 4.897 ( 7.569 0.000 -2.877) 8.097 4.996 ( -5.269 -0.000 -3.857) 6.531 5.227 ( 6.260 0.000 3.875) 7.362 5.420 ( 2.686 0.000 -5.100) 5.764 5.530 ( 7.214 0.000 9.429) 11.872 5.997 ( -7.601 -0.000 -6.550) 10.033 6.153 ( -0.058 -0.000 8.167) 8.167 6.422 ( -5.564 -0.000 0.003) 5.564 6.588 ( 0.632 0.000 -5.084) 5.123 8.377 ( -1.190 -0.000 2.535) 2.800 8.424 ( 1.067 0.000 -2.711) 2.913 9.300 ( -0.312 -0.000 3.187) 3.202 9.320 ( 0.442 0.000 -3.416) 3.444 10.078 ( 0.018 0.000 0.280) 0.281 10.104 ( 0.891 0.000 -0.197) 0.912 11.000 ( -1.929 -0.000 0.484) 1.988 11.055 ( 0.567 0.000 -0.025) 0.568 11.578 ( -2.427 -0.000 -2.024) 3.160 11.654 ( 1.404 0.000 1.720) 2.220 14.623 ( -0.201 -0.000 0.118) 0.233 14.640 ( 0.674 0.000 0.617) 0.914 ======================= Grid point 175 (81/115) ======================= q-point: ( 0.22 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 6.894 -0.311 -20.094) 21.246 1.344 ( -1.568 -11.465 -13.844) 18.043 1.512 ( -1.092 15.270 21.241) 26.183 1.789 ( 11.610 -1.237 12.834) 17.351 1.850 ( -2.314 -2.787 -4.122) 5.487 2.076 ( 2.187 0.019 -1.901) 2.897 2.321 ( 0.238 -2.473 3.179) 4.035 2.484 ( 3.342 -0.351 -1.264) 3.590 2.511 ( -4.829 -0.559 -1.948) 5.237 2.688 ( 2.403 0.236 -5.397) 5.912 2.805 ( 6.833 -4.715 2.350) 8.628 2.874 ( 3.338 8.481 -1.348) 9.213 2.950 ( 6.744 -2.757 -3.120) 7.925 3.061 ( 1.134 -3.834 -2.822) 4.894 3.189 ( 13.347 -8.281 7.899) 17.581 3.333 ( 2.456 -4.700 2.442) 5.839 3.535 ( -0.777 1.588 3.636) 4.043 3.679 ( -0.508 0.758 0.752) 1.183 3.800 ( 2.708 0.940 -13.247) 13.553 3.841 ( -1.360 1.387 2.486) 3.155 3.988 ( -1.786 0.993 5.045) 5.444 4.121 ( -4.240 -1.788 -6.433) 7.910 4.266 ( -12.379 -1.132 -3.109) 12.813 4.355 ( -4.046 -1.534 2.630) 5.064 4.474 ( -0.013 -3.387 -0.055) 3.387 4.614 ( -0.121 2.866 -0.558) 2.923 4.647 ( -0.534 0.182 2.979) 3.032 4.935 ( 1.912 -0.258 -0.708) 2.055 4.971 ( 1.085 -1.701 -3.467) 4.011 5.225 ( 3.362 5.714 3.295) 7.403 5.449 ( 2.985 -2.425 -4.459) 5.889 5.692 ( 3.685 -2.218 9.455) 10.388 5.812 ( -4.323 6.604 -2.843) 8.390 6.082 ( 0.445 8.848 4.546) 9.957 6.428 ( -5.581 -5.027 -3.938) 8.481 6.618 ( -0.455 -4.833 -2.206) 5.332 8.356 ( -1.316 2.404 2.208) 3.519 8.404 ( 1.096 1.918 -2.449) 3.298 9.302 ( -0.110 0.705 -0.406) 0.820 9.307 ( 0.102 0.403 0.073) 0.422 10.087 ( 0.133 -0.727 0.254) 0.782 10.126 ( 0.644 -1.577 0.215) 1.717 10.983 ( -1.159 0.395 0.857) 1.495 11.047 ( 0.365 1.047 -0.731) 1.328 11.542 ( -2.211 0.797 -1.442) 2.757 11.661 ( 0.500 1.103 1.347) 1.811 14.624 ( 0.000 -0.111 0.338) 0.355 14.650 ( 0.706 0.018 0.614) 0.936 ======================= Grid point 176 (82/115) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 13.904 -8.975 -4.815) 17.235 1.314 ( -2.202 7.976 7.284) 11.024 1.460 ( 2.887 -6.731 -12.335) 14.346 1.830 ( 6.232 9.192 4.612) 12.026 1.958 ( 8.500 -2.425 2.370) 9.152 2.061 ( -1.618 1.669 1.330) 2.678 2.352 ( -5.072 -2.096 9.698) 11.144 2.471 ( -1.340 2.944 -0.031) 3.235 2.565 ( 5.883 -4.420 -4.972) 8.881 2.746 ( 0.901 -5.541 1.774) 5.888 2.767 ( 2.378 1.744 0.008) 2.949 2.904 ( 1.752 -0.436 -1.737) 2.505 3.081 ( 0.047 -6.428 -3.691) 7.412 3.122 ( 7.069 -3.249 -2.184) 8.080 3.343 ( 2.153 1.763 0.238) 2.793 3.448 ( 5.658 0.819 4.454) 7.247 3.562 ( 0.834 -1.872 2.052) 2.900 3.667 ( -1.781 0.578 4.932) 5.276 3.741 ( 0.721 2.494 -8.573) 8.957 3.811 ( 0.344 -1.674 -5.317) 5.585 3.971 ( -7.708 0.393 -8.642) 11.587 4.057 ( -2.660 -2.303 9.207) 9.856 4.159 ( -4.709 0.416 -9.036) 10.198 4.327 ( -3.408 1.606 1.127) 3.932 4.536 ( 0.470 -1.081 1.442) 1.863 4.615 ( 1.076 -2.550 1.387) 3.095 4.690 ( 1.714 -3.439 2.121) 4.389 4.961 ( 0.147 -1.144 2.548) 2.797 5.006 ( 1.898 -2.258 -4.202) 5.134 5.161 ( -0.108 5.257 5.250) 7.430 5.497 ( 2.303 -1.979 -3.421) 4.575 5.601 ( -1.790 6.681 -2.034) 7.210 5.778 ( -1.973 5.055 7.692) 9.413 6.014 ( 4.775 2.449 3.185) 6.241 6.406 ( -6.117 -1.757 -6.659) 9.212 6.722 ( 0.522 -7.144 0.406) 7.175 8.297 ( -1.316 3.638 1.746) 4.245 8.360 ( 1.115 2.830 -2.010) 3.646 9.281 ( -0.117 0.937 -1.139) 1.479 9.300 ( -0.063 0.712 0.657) 0.971 10.107 ( -0.007 -1.346 0.081) 1.349 10.163 ( 0.196 -1.765 0.356) 1.811 10.976 ( -0.441 0.198 1.139) 1.237 11.024 ( 0.592 1.372 -1.152) 1.887 11.496 ( -1.788 1.631 -0.630) 2.501 11.641 ( -0.105 1.796 0.915) 2.018 14.630 ( 0.077 -0.215 0.491) 0.542 14.657 ( 0.554 0.106 0.433) 0.711 ======================= Grid point 177 (83/115) ======================= q-point: ( 0.44 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -5.690 3.619 1.074) 6.828 1.356 ( 3.280 -1.629 -5.144) 6.314 1.603 ( 13.341 -6.734 -2.092) 15.089 1.702 ( 11.102 14.482 2.498) 18.418 1.965 ( -4.219 3.836 3.922) 6.921 2.137 ( 6.130 -6.466 0.981) 8.964 2.310 ( -1.726 2.019 -2.502) 3.650 2.445 ( -3.746 1.462 8.519) 9.420 2.690 ( 3.368 -2.792 -2.847) 5.219 2.758 ( 3.478 2.293 3.921) 5.721 2.853 ( -2.238 0.026 -0.043) 2.238 2.975 ( 0.054 -7.436 -3.455) 8.200 3.026 ( -1.244 -3.716 -4.717) 6.132 3.284 ( 4.241 0.270 -0.569) 4.287 3.318 ( 0.417 1.059 2.719) 2.947 3.461 ( 1.801 1.538 3.743) 4.429 3.559 ( -1.439 -0.220 -4.320) 4.558 3.634 ( 0.569 4.169 -0.013) 4.207 3.733 ( -0.635 -5.922 5.236) 7.930 3.807 ( -6.807 2.050 -5.844) 9.202 3.856 ( 2.165 0.591 -5.148) 5.616 4.073 ( -0.459 0.185 -8.787) 8.801 4.160 ( 0.193 -3.644 0.334) 3.665 4.283 ( -1.824 1.207 3.291) 3.952 4.608 ( 0.561 -4.366 3.732) 5.771 4.675 ( 1.291 -3.643 -1.940) 4.324 4.767 ( 0.358 -2.101 2.138) 3.019 4.991 ( -0.064 -0.919 1.758) 1.985 5.037 ( -0.600 -1.614 -1.593) 2.345 5.096 ( -1.503 4.483 6.255) 7.841 5.442 ( -1.188 8.681 -3.099) 9.293 5.523 ( 1.286 -0.530 -2.714) 3.050 5.712 ( 0.159 2.857 4.613) 5.428 6.061 ( 2.738 -1.035 1.422) 3.255 6.335 ( -3.696 0.504 -4.285) 5.681 6.848 ( 0.478 -5.735 0.691) 5.797 8.234 ( -1.019 2.946 1.382) 3.410 8.313 ( 0.904 2.571 -1.658) 3.190 9.259 ( -0.360 0.895 -0.195) 0.984 9.291 ( 0.264 0.380 -0.375) 0.596 10.132 ( -0.017 -1.399 0.011) 1.399 10.191 ( -0.112 -1.284 0.082) 1.291 10.974 ( -0.374 0.296 1.296) 1.381 11.004 ( 0.820 1.074 -1.052) 1.713 11.453 ( -0.992 1.526 0.203) 1.831 11.612 ( -0.311 1.513 0.354) 1.585 14.636 ( -0.036 -0.201 0.464) 0.506 14.660 ( 0.265 0.187 0.098) 0.339 ======================= Grid point 178 (84/115) ======================= q-point: ( 0.56 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -3.350 -1.602 6.327) 7.337 1.314 ( 0.732 2.039 -6.629) 6.974 1.578 ( 10.040 11.416 5.237) 16.080 1.738 ( 6.148 4.316 -1.822) 7.730 2.012 ( 2.844 -7.101 -1.308) 7.761 2.226 ( 0.456 1.344 -1.342) 1.953 2.302 ( 4.227 1.342 3.770) 5.821 2.396 ( -2.994 1.513 -0.724) 3.432 2.616 ( -8.828 1.832 3.013) 9.507 2.762 ( 5.000 0.399 -1.179) 5.152 2.821 ( -5.858 0.793 -3.047) 6.650 3.045 ( -1.624 -0.656 -1.577) 2.357 3.119 ( 6.655 -0.944 -0.513) 6.742 3.293 ( 4.447 -1.079 1.401) 4.786 3.350 ( 0.218 -1.105 5.682) 5.793 3.437 ( -4.868 0.941 -1.121) 5.084 3.538 ( 0.465 -0.256 -4.378) 4.410 3.627 ( -0.310 -1.906 2.271) 2.981 3.657 ( -5.217 3.231 1.785) 6.390 3.842 ( 1.072 -0.072 -7.865) 7.938 3.902 ( 3.828 -4.812 8.585) 10.560 3.998 ( -1.174 3.680 -4.515) 5.942 4.244 ( 4.695 -3.554 -3.545) 6.873 4.275 ( -0.415 -0.531 1.271) 1.439 4.641 ( -4.370 -0.686 -0.507) 4.453 4.748 ( 2.130 -1.788 -2.234) 3.567 4.842 ( -0.396 -7.284 -0.061) 7.295 4.943 ( -5.796 6.698 4.073) 9.749 5.014 ( 0.028 -0.065 0.460) 0.466 5.080 ( 1.042 1.287 1.279) 2.093 5.311 ( -0.882 2.699 0.832) 2.959 5.524 ( 1.605 0.322 -1.459) 2.192 5.707 ( 0.956 0.751 -0.060) 1.218 6.057 ( -4.568 -0.413 -7.157) 8.500 6.340 ( 5.307 -0.299 6.517) 8.410 6.918 ( -0.584 -1.962 -0.383) 2.083 8.200 ( -0.400 0.623 0.989) 1.236 8.276 ( 0.388 1.399 -1.299) 1.948 9.244 ( -0.373 0.447 0.622) 0.851 9.290 ( 0.628 -0.215 -1.186) 1.359 10.152 ( 0.149 -0.717 -0.015) 0.732 10.206 ( -0.199 -0.586 -0.262) 0.672 10.970 ( -0.438 0.431 1.268) 1.409 10.992 ( 0.633 0.560 -0.736) 1.120 11.434 ( 0.049 0.348 0.965) 1.027 11.591 ( -0.487 0.433 -0.239) 0.694 14.639 ( -0.267 -0.069 0.271) 0.386 14.657 ( -0.061 0.193 -0.264) 0.333 ======================= Grid point 179 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.444 -2.564 6.301) 8.125 1.322 ( 2.248 -1.978 1.353) 3.286 1.523 ( 7.509 9.695 -2.150) 12.450 1.608 ( 2.987 8.495 2.453) 9.333 2.049 ( 0.995 1.121 -6.741) 6.906 2.194 ( 2.479 0.503 1.202) 2.801 2.352 ( 4.398 2.838 1.640) 5.485 2.393 ( -1.366 -2.963 3.244) 4.601 2.586 ( -9.767 -3.750 4.103) 11.238 2.681 ( -5.531 1.728 -6.956) 9.054 2.798 ( 2.378 -0.102 -5.413) 5.913 2.960 ( -3.179 7.661 6.695) 10.660 3.178 ( 7.140 2.207 -0.445) 7.486 3.270 ( -12.855 3.610 -5.801) 14.558 3.355 ( 0.824 1.860 2.031) 2.875 3.390 ( 5.093 -1.303 -1.318) 5.420 3.586 ( 3.430 -3.524 1.954) 5.292 3.629 ( -1.593 0.509 3.259) 3.664 3.700 ( 1.008 -1.669 3.759) 4.235 3.824 ( -2.023 -1.445 -6.543) 7.000 3.924 ( 2.762 1.258 2.033) 3.653 4.022 ( 2.665 -2.020 7.626) 8.327 4.278 ( 4.205 0.411 0.838) 4.308 4.339 ( 2.462 -2.660 -3.266) 4.879 4.597 ( -3.839 -0.884 -3.998) 5.613 4.727 ( -0.183 6.437 -0.151) 6.442 4.783 ( -3.730 3.377 -0.809) 5.096 4.939 ( -5.466 -4.775 -5.073) 8.855 5.019 ( 0.587 1.121 1.959) 2.332 5.094 ( 0.394 -2.851 1.446) 3.221 5.331 ( 0.773 -3.023 3.204) 4.472 5.540 ( 2.212 -0.522 0.296) 2.292 5.689 ( 0.208 0.204 -3.568) 3.580 5.968 ( -5.828 -0.138 -7.667) 9.631 6.457 ( 7.568 -0.306 9.828) 12.408 6.900 ( -1.558 2.131 -1.604) 3.089 8.216 ( 0.108 -2.073 0.548) 2.147 8.262 ( -0.032 -0.328 -0.925) 0.982 9.243 ( -0.278 -0.084 1.250) 1.284 9.298 ( 0.806 -0.769 -1.839) 2.150 10.157 ( 0.421 0.395 -0.038) 0.579 10.204 ( -0.324 0.283 -0.638) 0.770 10.967 ( -0.497 0.068 1.318) 1.410 10.987 ( 0.367 0.143 -0.630) 0.743 11.452 ( 0.981 -1.105 1.693) 2.247 11.588 ( -0.741 -0.991 -0.774) 1.460 14.636 ( -0.414 0.077 0.066) 0.426 14.650 ( -0.333 0.139 -0.484) 0.603 ======================= Grid point 180 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -2.890 13.421 4.122) 14.334 1.250 ( -6.380 1.978 -1.367) 6.818 1.507 ( 6.858 1.458 2.841) 7.565 1.687 ( 8.171 -3.900 9.503) 13.126 1.981 ( 1.713 6.017 -2.999) 6.937 2.247 ( 4.394 -3.387 -7.510) 9.337 2.282 ( -3.587 4.407 0.693) 5.724 2.433 ( -0.902 0.805 -3.859) 4.044 2.495 ( -7.203 2.673 5.369) 9.373 2.669 ( -2.769 -4.290 -0.211) 5.110 2.802 ( -4.853 7.634 5.362) 10.516 2.839 ( 4.144 -1.514 1.923) 4.813 2.993 ( -7.732 6.264 -9.218) 13.565 3.233 ( 1.174 -0.032 -2.483) 2.747 3.293 ( -0.158 7.104 5.145) 8.773 3.452 ( 5.580 1.953 -6.285) 8.629 3.556 ( -5.576 1.335 6.038) 8.326 3.696 ( 0.021 1.689 4.036) 4.375 3.710 ( 0.737 -2.560 -3.084) 4.075 3.800 ( 2.408 -0.977 -5.475) 6.061 4.027 ( 2.095 -3.140 6.702) 7.692 4.142 ( 3.215 -5.061 3.811) 7.104 4.340 ( 9.376 1.078 1.089) 9.500 4.365 ( 1.025 -2.090 0.051) 2.328 4.541 ( -4.092 0.687 -2.983) 5.110 4.652 ( -4.343 4.179 -0.313) 6.035 4.675 ( 2.500 1.032 -1.539) 3.112 4.926 ( -5.476 -0.992 -3.906) 6.799 5.002 ( 1.083 2.327 2.161) 3.355 5.124 ( -1.309 -2.226 -4.936) 5.570 5.425 ( 0.036 -3.461 5.672) 6.645 5.582 ( 1.433 -2.639 -1.095) 3.197 5.710 ( 0.694 -4.254 -3.093) 5.305 5.879 ( -5.538 1.085 -5.798) 8.091 6.561 ( 5.889 1.187 9.039) 10.853 6.814 ( -1.508 4.459 -2.218) 5.203 8.266 ( -0.976 -2.926 1.085) 3.270 8.285 ( 1.076 -2.890 -1.490) 3.425 9.252 ( -0.298 -0.380 1.764) 1.829 9.312 ( 0.741 -1.085 -2.444) 2.775 10.147 ( 0.703 1.327 -0.041) 1.502 10.181 ( -0.680 1.333 -1.051) 1.829 10.973 ( -0.535 -0.639 1.324) 1.565 10.990 ( 0.403 -0.445 -0.572) 0.829 11.502 ( 1.548 -1.922 2.400) 3.442 11.602 ( -1.122 -2.021 -1.299) 2.652 14.631 ( -0.326 0.133 0.046) 0.355 14.642 ( -0.472 0.087 -0.497) 0.691 ======================= Grid point 181 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 9.256 0.815 18.934) 21.092 1.202 ( -5.710 -3.533 -5.253) 8.525 1.490 ( 0.782 6.599 6.305) 9.160 1.749 ( -1.540 5.303 -8.604) 10.224 1.989 ( 6.404 -3.539 10.311) 12.643 2.178 ( 1.890 4.631 0.763) 5.060 2.269 ( 2.483 0.034 -11.385) 11.653 2.297 ( -6.689 3.823 -5.975) 9.750 2.491 ( -2.621 4.006 13.519) 14.341 2.612 ( -4.465 4.197 5.159) 8.010 2.769 ( 0.158 -2.538 1.454) 2.929 2.840 ( 1.725 3.087 3.523) 4.992 2.983 ( 5.130 -6.820 -4.844) 9.813 3.119 ( -8.778 5.525 -1.382) 10.464 3.217 ( 5.756 6.187 -6.424) 10.615 3.306 ( 0.239 11.621 -10.639) 15.757 3.544 ( -7.058 -2.550 11.038) 13.347 3.681 ( -0.483 0.154 5.185) 5.210 3.785 ( 4.414 -3.302 -7.075) 8.969 3.797 ( 3.178 0.315 -8.085) 8.693 4.062 ( -1.124 2.142 7.819) 8.185 4.212 ( 1.533 1.105 -3.616) 4.080 4.440 ( 2.841 0.583 4.168) 5.078 4.450 ( 3.551 -2.131 1.600) 4.439 4.505 ( -0.307 -3.118 -0.491) 3.171 4.568 ( -4.769 -2.902 -5.362) 7.741 4.723 ( 7.713 1.399 5.014) 9.305 4.824 ( -6.159 3.151 -4.135) 8.060 4.999 ( 1.661 0.089 3.366) 3.755 5.122 ( -1.593 -2.320 -8.185) 8.655 5.488 ( 2.591 1.372 7.288) 7.855 5.611 ( -5.141 0.883 -3.676) 6.381 5.791 ( 2.782 -4.524 -0.212) 5.315 5.826 ( -4.496 -8.096 -2.813) 9.678 6.604 ( 2.590 3.208 7.133) 8.239 6.717 ( -0.408 3.934 -3.341) 5.177 8.311 ( -1.252 -2.932 1.765) 3.644 8.352 ( 1.318 -3.724 -2.049) 4.451 9.266 ( -0.375 -0.448 2.353) 2.425 9.324 ( 0.552 -1.028 -2.978) 3.198 10.127 ( 0.766 1.673 -0.027) 1.840 10.138 ( -0.834 2.055 -1.086) 2.470 10.991 ( -1.009 -1.399 1.116) 2.055 11.007 ( 0.993 -1.038 -0.456) 1.507 11.564 ( 1.816 -1.761 2.856) 3.815 11.616 ( -1.783 -1.811 -1.975) 3.219 14.628 ( -0.127 0.048 0.249) 0.284 14.634 ( -0.337 0.110 -0.351) 0.499 ======================= Grid point 184 (88/115) ======================= q-point: ( 0.22 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 23.882 0.000 -11.241) 26.396 1.143 ( -1.092 -0.000 -4.416) 4.549 1.787 ( -7.163 -0.000 12.606) 14.499 1.803 ( 3.212 0.000 -2.737) 4.221 1.979 ( 6.576 0.000 18.229) 19.379 1.997 ( 9.719 0.000 0.352) 9.726 2.338 ( -2.730 -0.000 1.166) 2.969 2.385 ( -5.842 -0.000 -0.248) 5.847 2.470 ( -2.039 -0.000 -8.032) 8.287 2.799 ( -1.197 -0.000 4.517) 4.673 2.822 ( 13.178 0.000 -7.691) 15.258 2.907 ( 13.511 0.000 -6.163) 14.851 2.993 ( -1.672 -0.000 -1.832) 2.481 3.032 ( 0.252 0.000 -3.747) 3.756 3.282 ( 6.101 0.000 -1.660) 6.323 3.342 ( 16.855 0.000 11.298) 20.291 3.526 ( -0.810 -0.000 -3.555) 3.646 3.726 ( 1.243 0.000 5.385) 5.527 3.742 ( -0.969 -0.000 -14.645) 14.677 3.870 ( -5.448 -0.000 6.250) 8.291 4.024 ( -1.292 -0.000 9.946) 10.029 4.028 ( -4.283 -0.000 -8.604) 9.611 4.116 ( -10.609 -0.000 -5.747) 12.066 4.315 ( -4.254 -0.000 5.342) 6.829 4.461 ( 3.747 0.000 2.829) 4.695 4.637 ( -3.702 -0.000 5.331) 6.490 4.639 ( -1.124 -0.000 -4.350) 4.493 4.951 ( 0.961 0.000 2.772) 2.934 4.961 ( 3.812 0.000 -4.589) 5.966 5.303 ( 1.096 0.000 -4.455) 4.587 5.445 ( 4.103 0.000 -2.744) 4.936 5.753 ( 2.093 0.000 13.110) 13.276 5.804 ( -6.205 -0.000 -4.843) 7.871 6.158 ( -3.569 -0.000 1.720) 3.962 6.342 ( -1.064 -0.000 -1.095) 1.527 6.545 ( -0.233 -0.000 -3.533) 3.541 8.376 ( -1.460 -0.000 2.232) 2.667 8.418 ( 1.032 0.000 -2.687) 2.878 9.298 ( 0.579 0.000 -2.992) 3.048 9.319 ( -0.640 -0.000 2.407) 2.491 10.090 ( 0.449 0.000 0.659) 0.798 10.114 ( 0.371 0.000 -0.210) 0.426 10.980 ( -0.916 -0.000 1.130) 1.454 11.054 ( 0.107 0.000 -0.958) 0.964 11.527 ( -1.701 -0.000 -0.268) 1.722 11.678 ( -0.034 -0.000 0.669) 0.670 14.625 ( 0.088 0.000 0.370) 0.381 14.659 ( 0.612 0.000 0.449) 0.759 ======================= Grid point 185 (89/115) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 13.209 0.296 4.354) 13.911 1.338 ( 16.679 -9.861 -1.866) 19.465 1.546 ( -3.919 14.499 3.651) 15.456 1.867 ( 1.915 -3.774 0.390) 4.250 2.086 ( 9.230 2.900 3.971) 10.458 2.189 ( 5.113 1.723 5.761) 7.893 2.310 ( -3.249 -4.855 6.576) 8.796 2.388 ( -3.457 -2.440 0.280) 4.241 2.484 ( -1.351 -7.045 0.815) 7.219 2.704 ( 1.481 3.767 -0.413) 4.068 2.897 ( -0.979 2.985 -3.024) 4.360 2.918 ( 3.589 3.545 -3.270) 6.012 3.007 ( 3.797 -0.943 -6.179) 7.313 3.126 ( 13.504 -5.394 0.291) 14.544 3.369 ( 4.387 -1.593 -3.068) 5.586 3.506 ( 4.786 -1.480 4.268) 6.581 3.543 ( 1.316 -4.510 -5.248) 7.043 3.630 ( -3.865 1.910 -7.912) 9.011 3.747 ( -4.217 1.699 2.436) 5.157 3.783 ( -1.788 2.374 -1.086) 3.164 3.933 ( -4.561 2.434 -5.203) 7.335 4.003 ( -6.667 -0.785 -1.114) 6.805 4.102 ( 2.303 -0.987 6.188) 6.676 4.326 ( -2.653 -1.608 4.838) 5.748 4.558 ( -1.403 -0.413 -4.827) 5.044 4.589 ( 5.738 -1.545 4.915) 7.712 4.634 ( -4.093 -1.655 3.189) 5.446 4.976 ( 1.825 -0.330 -1.376) 2.309 4.981 ( 2.362 -0.342 0.620) 2.466 5.237 ( -2.069 3.282 -4.271) 5.770 5.482 ( 3.549 -0.994 -1.064) 3.836 5.677 ( -2.369 5.009 -2.071) 5.915 5.823 ( -4.906 -0.398 8.135) 9.508 6.106 ( 0.195 3.298 -0.612) 3.360 6.332 ( -0.805 0.103 -0.701) 1.072 6.596 ( 0.269 -6.668 -1.550) 6.851 8.349 ( -1.465 2.471 1.911) 3.450 8.399 ( 0.987 1.663 -2.531) 3.185 9.286 ( 0.573 0.444 -2.396) 2.503 9.315 ( -0.758 0.709 1.585) 1.895 10.095 ( 0.217 -0.270 0.195) 0.398 10.133 ( -0.040 -1.635 -0.128) 1.640 10.980 ( -0.377 0.047 1.488) 1.536 11.044 ( 0.477 0.802 -1.079) 1.427 11.506 ( -1.199 1.001 0.740) 1.729 11.667 ( -0.521 1.111 0.240) 1.250 14.629 ( 0.078 -0.141 0.387) 0.420 14.664 ( 0.356 0.053 0.143) 0.388 ======================= Grid point 186 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -3.758 5.097 9.401) 11.334 1.374 ( 4.140 3.650 -8.564) 10.189 1.667 ( 21.874 -4.160 4.819) 22.781 1.923 ( 0.865 -0.894 0.827) 1.494 2.078 ( 5.287 6.815 5.022) 9.980 2.240 ( 11.848 4.891 5.471) 13.936 2.279 ( -6.175 1.205 -0.381) 6.303 2.477 ( -4.053 -1.625 11.723) 12.510 2.574 ( -1.509 -7.050 -1.059) 7.288 2.792 ( 1.208 -7.806 0.155) 7.901 2.840 ( 1.023 1.198 -0.400) 1.625 2.879 ( 0.725 1.907 -3.251) 3.838 2.961 ( 1.750 1.154 -6.780) 7.097 3.313 ( 5.234 -3.264 -1.021) 6.252 3.359 ( 2.076 2.478 -5.110) 6.047 3.516 ( -1.625 0.374 -2.342) 2.875 3.549 ( 0.161 3.746 -0.002) 3.749 3.618 ( 0.801 -5.310 -0.926) 5.449 3.663 ( -4.072 -0.340 -2.570) 4.827 3.788 ( -3.994 4.513 -3.248) 6.846 3.850 ( 3.257 -2.379 4.209) 5.829 3.995 ( -1.135 -3.563 -6.083) 7.141 4.148 ( -0.380 -0.027 4.675) 4.690 4.321 ( -0.954 2.160 1.355) 2.723 4.557 ( 1.565 -3.277 -0.973) 3.760 4.614 ( -4.684 -1.184 1.157) 4.968 4.729 ( 2.133 -3.620 0.794) 4.276 4.994 ( 1.997 -0.517 -0.653) 2.164 5.014 ( 1.154 -0.939 1.869) 2.388 5.140 ( -4.482 2.547 -0.588) 5.189 5.521 ( 1.662 0.223 0.667) 1.805 5.569 ( 1.476 5.953 -2.576) 6.653 5.773 ( -4.347 2.767 4.399) 6.775 6.045 ( -2.373 1.290 -5.094) 5.766 6.336 ( 2.364 0.085 3.284) 4.047 6.729 ( 0.054 -7.883 -0.602) 7.906 8.290 ( -1.193 3.546 1.725) 4.120 8.358 ( 0.822 2.620 -2.376) 3.631 9.271 ( 0.292 0.807 -1.130) 1.419 9.300 ( -0.465 0.736 0.303) 0.922 10.109 ( 0.096 -1.154 0.042) 1.159 10.160 ( -0.437 -1.775 -0.391) 1.869 10.984 ( -0.191 0.217 1.757) 1.781 11.028 ( 0.891 1.147 -0.892) 1.705 11.479 ( -0.492 1.690 1.494) 2.309 11.636 ( -0.771 1.662 -0.286) 1.854 14.634 ( -0.056 -0.177 0.332) 0.381 14.664 ( 0.026 0.167 -0.226) 0.282 ======================= Grid point 187 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.607 3.282 8.640) 9.263 1.319 ( 2.981 1.355 -9.731) 10.268 1.851 ( 6.896 4.846 6.662) 10.744 1.921 ( 0.041 8.521 2.270) 8.818 2.020 ( 15.809 1.689 -0.491) 15.907 2.216 ( 0.436 1.749 2.406) 3.006 2.336 ( 2.732 -3.017 0.721) 4.133 2.447 ( -3.946 3.827 10.910) 12.217 2.648 ( -7.438 10.288 -6.551) 14.286 2.702 ( -3.198 -5.984 3.438) 7.606 2.832 ( 1.709 1.710 -2.499) 3.477 2.955 ( 3.099 -6.984 -5.669) 9.514 3.103 ( 6.491 -8.285 2.550) 10.830 3.307 ( 0.315 0.641 -3.080) 3.162 3.358 ( -2.747 -0.949 4.397) 5.271 3.466 ( 2.178 3.535 -5.732) 7.078 3.518 ( -0.045 0.624 1.918) 2.017 3.608 ( -4.619 2.577 0.838) 5.355 3.658 ( -2.039 -0.409 -1.699) 2.685 3.792 ( 5.395 -7.090 -7.320) 11.530 3.883 ( -1.464 1.295 7.292) 7.549 4.015 ( 0.348 0.284 -4.056) 4.081 4.203 ( 4.138 -3.161 3.655) 6.362 4.285 ( -1.744 0.265 -0.659) 1.883 4.562 ( -5.812 -1.092 -3.654) 6.951 4.668 ( 1.463 -6.471 -4.616) 8.082 4.772 ( -0.522 -0.897 2.704) 2.896 5.011 ( -2.885 2.593 3.704) 5.364 5.031 ( 0.578 1.349 1.137) 1.856 5.078 ( -1.695 -1.611 -1.260) 2.656 5.423 ( 1.668 8.486 0.899) 8.695 5.547 ( 1.680 0.806 0.368) 1.899 5.730 ( -1.082 1.018 1.343) 2.003 5.960 ( -5.259 0.500 -9.326) 10.718 6.420 ( 6.485 -1.612 8.127) 10.522 6.837 ( -1.456 -5.450 -1.733) 5.901 8.232 ( -0.660 2.725 1.666) 3.261 8.306 ( 0.451 2.502 -2.225) 3.378 9.255 ( -0.105 0.762 0.301) 0.826 9.289 ( 0.180 0.210 -0.974) 1.012 10.134 ( 0.184 -1.399 0.170) 1.421 10.181 ( -0.557 -1.457 -0.677) 1.701 10.983 ( -0.251 0.581 1.755) 1.866 11.013 ( 0.940 1.144 -0.668) 1.625 11.459 ( 0.415 1.372 2.082) 2.527 11.597 ( -1.003 1.353 -0.947) 1.932 14.636 ( -0.259 -0.069 0.230) 0.353 14.658 ( -0.228 0.240 -0.536) 0.630 ======================= Grid point 188 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 2.455 0.507 9.660) 9.980 1.330 ( 3.572 -2.787 -4.193) 6.173 1.737 ( -2.146 8.015 3.615) 9.050 1.792 ( 7.456 12.702 -1.910) 14.852 2.135 ( 7.170 5.583 -0.472) 9.099 2.210 ( 1.476 -2.105 -0.148) 2.575 2.318 ( -2.216 -0.815 -6.018) 6.465 2.446 ( -8.316 -0.597 9.547) 12.675 2.462 ( -0.593 1.389 0.012) 1.510 2.680 ( -2.740 5.013 -2.872) 6.394 2.837 ( 7.344 0.597 -0.513) 7.386 3.030 ( 0.213 -0.571 3.902) 3.949 3.220 ( -9.360 5.658 -5.028) 12.037 3.294 ( 8.523 -1.268 1.439) 8.736 3.366 ( -2.878 0.313 2.583) 3.879 3.421 ( 1.980 0.306 0.640) 2.103 3.480 ( -1.896 -5.538 -2.680) 6.438 3.632 ( -1.332 -1.815 -0.524) 2.311 3.708 ( 4.402 -3.339 2.777) 6.184 3.777 ( -1.335 2.820 -1.237) 3.356 3.958 ( -0.425 -1.116 -0.515) 1.300 4.020 ( 5.174 -3.204 1.821) 6.352 4.256 ( -2.310 -1.545 0.048) 2.779 4.317 ( 0.567 -3.411 -0.962) 3.589 4.528 ( -0.123 -1.493 -3.725) 4.015 4.753 ( -0.683 -5.887 -6.325) 8.668 4.788 ( -2.012 1.266 1.532) 2.828 4.870 ( -5.623 7.723 2.591) 9.898 5.032 ( 1.083 0.136 1.124) 1.566 5.095 ( -0.281 -0.701 -0.156) 0.771 5.361 ( 3.594 2.851 5.570) 7.216 5.548 ( 0.393 0.257 -0.199) 0.510 5.707 ( 0.364 1.503 -1.511) 2.162 5.857 ( -5.723 -0.516 -9.013) 10.690 6.562 ( 7.304 -1.512 9.562) 12.127 6.868 ( -3.005 -1.929 -3.417) 4.942 8.207 ( -0.129 0.524 1.518) 1.611 8.264 ( 0.076 1.305 -1.937) 2.337 9.248 ( -0.229 0.257 1.125) 1.177 9.287 ( 0.555 -0.296 -1.679) 1.793 10.158 ( 0.395 -0.776 0.350) 0.938 10.192 ( -0.570 -0.740 -0.866) 1.274 10.977 ( -0.292 0.675 1.471) 1.644 10.999 ( 0.674 0.901 -0.558) 1.256 11.464 ( 1.215 0.138 2.516) 2.798 11.565 ( -1.312 0.244 -1.561) 2.054 14.634 ( -0.390 0.068 0.207) 0.447 14.648 ( -0.292 0.227 -0.651) 0.748 ======================= Grid point 189 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.861 5.512 10.676) 12.046 1.319 ( 0.696 6.927 -7.527) 10.252 1.636 ( 8.188 3.472 0.925) 8.941 1.690 ( -4.138 -0.929 -0.167) 4.244 2.079 ( 4.763 3.625 4.182) 7.302 2.243 ( -3.048 3.336 -7.299) 8.585 2.266 ( -3.773 0.413 1.202) 3.982 2.403 ( -1.201 -1.207 -7.356) 7.551 2.508 ( -0.507 -3.189 7.085) 7.786 2.609 ( 2.111 0.913 0.440) 2.342 2.851 ( 8.205 4.766 -0.750) 9.518 2.942 ( -9.685 9.700 -5.880) 14.915 3.054 ( -0.612 2.962 11.837) 12.218 3.273 ( -1.085 3.561 -0.705) 3.788 3.381 ( 1.128 0.519 1.219) 1.740 3.483 ( 6.408 -2.105 -3.831) 7.757 3.578 ( -2.346 0.444 0.484) 2.436 3.598 ( -3.571 -3.941 -4.528) 6.984 3.712 ( -3.472 1.176 2.824) 4.627 3.805 ( 6.327 -1.047 -3.738) 7.423 4.012 ( -0.161 -3.395 7.922) 8.621 4.126 ( 2.133 -3.149 1.146) 3.972 4.307 ( 2.624 -4.360 1.408) 5.280 4.365 ( -0.324 -4.682 -4.595) 6.568 4.559 ( 3.627 1.906 1.022) 4.223 4.657 ( -6.727 5.804 -4.467) 9.945 4.731 ( -2.368 2.532 3.085) 4.641 4.805 ( -0.719 -2.644 -4.605) 5.359 5.057 ( 0.897 0.242 2.110) 2.305 5.090 ( -0.828 0.772 -0.554) 1.260 5.411 ( 2.732 -0.974 5.948) 6.618 5.533 ( -1.319 -0.764 -4.692) 4.934 5.706 ( 3.174 -0.469 1.451) 3.521 5.792 ( -5.086 -1.498 -6.192) 8.152 6.678 ( 5.706 0.701 8.719) 10.444 6.820 ( -4.028 1.142 -4.892) 6.439 8.223 ( -0.538 -1.512 1.238) 2.027 8.252 ( 0.562 -0.958 -1.559) 1.914 9.252 ( -0.295 -0.228 1.554) 1.598 9.291 ( 0.598 -0.653 -2.137) 2.313 10.169 ( 0.568 0.333 0.489) 0.820 10.186 ( -0.651 0.386 -0.999) 1.254 10.972 ( -0.355 0.266 1.155) 1.238 10.991 ( 0.559 0.298 -0.641) 0.901 11.500 ( 1.579 -1.254 2.773) 3.429 11.551 ( -1.670 -1.177 -1.976) 2.842 14.630 ( -0.365 0.103 0.341) 0.510 14.639 ( -0.125 0.178 -0.512) 0.556 ======================= Grid point 190 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 2.102 6.507 8.335) 10.781 1.168 ( 5.743 6.174 -9.030) 12.354 1.644 ( -3.576 2.374 3.685) 5.657 1.734 ( 3.007 -2.868 -1.878) 4.560 2.042 ( -11.828 3.327 -8.216) 14.781 2.102 ( 0.282 1.662 1.743) 2.425 2.258 ( 1.583 -0.875 5.330) 5.629 2.390 ( 7.246 2.197 -6.595) 10.041 2.593 ( 1.695 0.660 6.133) 6.397 2.661 ( 4.438 -0.083 -1.041) 4.559 2.686 ( -8.222 1.291 3.276) 8.944 2.881 ( 4.464 2.091 -1.996) 5.318 3.042 ( 4.167 3.225 9.825) 11.149 3.186 ( 0.172 6.260 -4.736) 7.852 3.352 ( 0.328 2.818 -3.143) 4.234 3.420 ( -0.611 6.349 -6.997) 9.468 3.533 ( -3.193 2.655 9.995) 10.823 3.658 ( -0.277 -2.441 1.043) 2.669 3.725 ( 0.866 -3.384 -2.507) 4.299 3.819 ( 4.969 1.242 -7.074) 8.734 4.078 ( -4.750 -1.138 7.338) 8.815 4.195 ( 1.379 -3.536 -3.639) 5.258 4.397 ( -3.890 -2.119 -1.753) 4.764 4.430 ( -1.353 -3.757 -5.808) 7.048 4.495 ( -0.255 1.068 -0.162) 1.110 4.552 ( 5.405 3.033 4.643) 7.744 4.750 ( -5.157 0.869 -2.207) 5.676 4.812 ( 4.257 -2.922 3.461) 6.216 5.052 ( 0.587 1.513 -0.057) 1.623 5.055 ( -0.334 0.991 -1.583) 1.898 5.494 ( 0.896 -3.632 5.793) 6.896 5.540 ( -0.593 -3.129 -4.385) 5.420 5.713 ( -5.048 -0.533 -1.266) 5.232 5.794 ( 4.838 -0.934 0.973) 5.022 6.710 ( -1.762 3.252 0.403) 3.720 6.734 ( 0.433 2.144 0.177) 2.194 8.255 ( -1.295 -2.708 1.163) 3.219 8.294 ( 1.321 -3.135 -1.377) 3.670 9.264 ( -0.424 -0.554 1.937) 2.059 9.299 ( 0.516 -0.828 -2.502) 2.686 10.154 ( -0.829 1.538 -0.552) 1.832 10.166 ( 0.767 1.296 0.209) 1.520 10.973 ( -0.590 -0.334 0.944) 1.163 10.997 ( 0.836 -0.697 -0.778) 1.338 11.551 ( -1.948 -2.091 -1.745) 3.349 11.559 ( 1.269 -1.938 2.252) 3.231 14.627 ( -0.298 0.081 0.417) 0.519 14.636 ( 0.281 0.108 -0.059) 0.307 ======================= Grid point 194 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 1.535 0.000 9.584) 9.706 1.510 ( 30.060 0.000 10.965) 31.997 1.700 ( -4.086 -0.000 0.020) 4.086 1.807 ( 2.212 0.000 -3.949) 4.527 2.166 ( -5.680 -0.000 -1.118) 5.789 2.236 ( -0.770 -0.000 -1.376) 1.577 2.276 ( 10.936 0.000 9.156) 14.263 2.334 ( 0.549 0.000 5.576) 5.603 2.441 ( -4.947 -0.000 12.796) 13.719 2.833 ( 1.223 0.000 4.534) 4.696 2.861 ( 1.766 0.000 -6.248) 6.493 2.956 ( 7.632 0.000 -9.463) 12.157 3.046 ( 3.886 0.000 -1.925) 4.336 3.150 ( 4.987 0.000 -10.297) 11.441 3.392 ( 10.613 0.000 -4.231) 11.425 3.477 ( 1.259 0.000 -6.249) 6.375 3.521 ( -0.642 -0.000 -0.382) 0.747 3.604 ( -0.195 -0.000 0.379) 0.427 3.730 ( -9.688 -0.000 0.540) 9.703 3.791 ( 0.876 0.000 4.859) 4.938 3.841 ( -6.203 -0.000 -3.954) 7.356 3.995 ( 0.431 0.000 -4.548) 4.569 4.163 ( -0.251 -0.000 5.970) 5.975 4.303 ( -2.133 -0.000 7.363) 7.665 4.489 ( -0.953 -0.000 -6.227) 6.300 4.591 ( -5.266 -0.000 1.986) 5.628 4.671 ( 4.952 0.000 5.573) 7.456 4.977 ( 3.422 0.000 -4.008) 5.270 5.018 ( 1.127 0.000 4.384) 4.526 5.197 ( -3.040 -0.000 -9.784) 10.245 5.513 ( 4.320 0.000 0.245) 4.327 5.705 ( -0.996 -0.000 -1.218) 1.573 5.774 ( -8.523 -0.000 6.753) 10.874 6.129 ( -1.231 -0.000 -1.784) 2.168 6.355 ( 1.595 0.000 2.882) 3.294 6.519 ( 0.332 0.000 -2.161) 2.186 8.367 ( -1.587 -0.000 1.889) 2.467 8.410 ( 1.005 0.000 -2.766) 2.943 9.286 ( 0.941 0.000 -2.377) 2.557 9.320 ( -1.144 -0.000 1.215) 1.669 10.098 ( -0.089 -0.000 0.110) 0.142 10.112 ( -0.133 -0.000 -0.668) 0.681 10.986 ( -0.101 -0.000 1.796) 1.799 11.050 ( 0.606 0.000 -0.960) 1.136 11.513 ( -0.567 -0.000 1.936) 2.018 11.671 ( -0.785 -0.000 -0.266) 0.829 14.630 ( 0.049 0.000 0.350) 0.353 14.667 ( 0.081 0.000 -0.222) 0.236 ======================= Grid point 195 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -3.154 3.956 15.611) 16.410 1.495 ( 3.858 10.254 -6.263) 12.620 1.876 ( 10.208 -3.882 4.964) 11.996 1.893 ( 13.609 -1.583 4.726) 14.493 2.113 ( -5.948 -1.545 -1.415) 6.306 2.215 ( 0.315 -5.850 -2.512) 6.374 2.393 ( 0.499 1.778 5.462) 5.765 2.459 ( 1.232 -3.796 12.543) 13.163 2.519 ( -0.624 -4.974 9.189) 10.468 2.759 ( 2.975 6.716 2.878) 7.889 2.839 ( 0.504 0.566 -4.297) 4.363 2.945 ( 2.993 3.992 -4.776) 6.907 3.033 ( 4.832 4.347 -2.883) 7.110 3.204 ( -0.064 -7.402 -11.142) 13.377 3.391 ( 2.008 2.958 -9.146) 9.820 3.484 ( 1.641 -0.063 -4.007) 4.330 3.535 ( -0.321 -3.602 -0.656) 3.675 3.614 ( 0.912 -0.012 -0.767) 1.192 3.682 ( 0.091 3.563 6.153) 7.111 3.805 ( 3.991 -1.744 -0.925) 4.452 3.863 ( -1.220 -3.076 3.780) 5.024 3.923 ( -0.502 3.885 -3.007) 4.938 4.153 ( -3.950 -0.508 4.704) 6.163 4.307 ( -3.876 -1.171 -1.842) 4.448 4.497 ( -1.985 -3.477 -3.241) 5.151 4.544 ( -5.978 -0.415 -1.338) 6.139 4.742 ( 4.823 -0.150 4.762) 6.779 5.005 ( 4.384 -0.497 -1.691) 4.725 5.035 ( 0.133 0.727 2.904) 2.996 5.115 ( -3.239 1.247 -6.337) 7.225 5.556 ( 3.307 0.164 2.376) 4.076 5.658 ( 1.564 3.534 -0.542) 3.903 5.752 ( -6.429 -1.160 3.778) 7.547 6.043 ( -3.839 4.358 -4.958) 7.636 6.386 ( 2.927 0.029 4.527) 5.391 6.587 ( -0.106 -7.069 -1.410) 7.209 8.340 ( -1.368 2.288 1.800) 3.217 8.392 ( 0.917 1.662 -2.711) 3.309 9.281 ( 1.023 0.463 -1.670) 2.012 9.307 ( -1.197 0.588 0.488) 1.420 10.096 ( -0.053 -0.380 -0.143) 0.409 10.123 ( -0.501 -1.490 -0.768) 1.749 10.995 ( 0.014 0.078 2.032) 2.034 11.047 ( 0.748 0.589 -0.841) 1.270 11.513 ( 0.132 1.119 2.662) 2.891 11.650 ( -0.977 1.127 -0.828) 1.706 14.633 ( -0.029 -0.080 0.351) 0.361 14.664 ( -0.207 0.086 -0.518) 0.564 ======================= Grid point 196 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -5.572 5.264 12.511) 14.672 1.375 ( 7.185 6.606 -12.417) 15.794 1.955 ( 0.853 -2.972 2.307) 3.857 2.005 ( 7.203 0.154 2.791) 7.726 2.168 ( -4.603 4.663 5.721) 8.698 2.289 ( 7.009 -2.304 6.079) 9.560 2.400 ( -2.872 4.610 1.575) 5.655 2.502 ( -4.073 0.976 1.442) 4.429 2.568 ( 3.412 -2.056 7.467) 8.463 2.794 ( -2.103 4.115 4.696) 6.588 2.815 ( -1.324 -4.684 -3.921) 6.250 2.859 ( 5.636 2.401 -4.109) 7.376 3.064 ( 7.995 -3.511 2.659) 9.127 3.247 ( -3.324 -4.170 -5.455) 7.628 3.319 ( 0.519 0.734 -9.110) 9.154 3.461 ( -1.807 0.742 -1.933) 2.748 3.591 ( 0.821 -1.233 -0.606) 1.601 3.617 ( 3.047 3.115 2.447) 4.998 3.663 ( -3.135 3.071 -4.636) 6.384 3.744 ( 5.433 0.608 0.057) 5.467 3.911 ( -3.363 -1.122 6.838) 7.702 3.980 ( 3.321 -3.520 -2.103) 5.276 4.191 ( -0.521 -3.439 3.892) 5.220 4.267 ( -1.955 0.556 -3.046) 3.662 4.481 ( -3.551 -0.609 -4.552) 5.805 4.539 ( -2.330 -5.357 -4.101) 7.137 4.794 ( 2.246 0.405 3.846) 4.472 5.012 ( -2.873 0.237 -5.073) 5.834 5.040 ( -0.176 0.286 3.206) 3.223 5.063 ( 0.888 0.692 0.854) 1.414 5.576 ( 1.394 2.096 3.154) 4.036 5.600 ( 3.259 5.796 -0.118) 6.650 5.727 ( -3.249 0.088 2.314) 3.990 5.906 ( -4.035 2.944 -7.545) 9.049 6.474 ( 5.065 -2.702 6.739) 8.853 6.697 ( -2.116 -7.002 -2.629) 7.773 8.288 ( -0.883 3.185 1.901) 3.813 8.346 ( 0.664 2.744 -2.642) 3.867 9.271 ( 0.078 0.892 0.034) 0.896 9.290 ( -0.059 0.378 -0.937) 1.012 10.112 ( 0.201 -1.349 0.187) 1.377 10.142 ( -0.662 -1.775 -0.943) 2.116 11.000 ( -0.163 0.440 2.006) 2.061 11.036 ( 0.764 0.942 -0.820) 1.464 11.505 ( 0.868 1.716 2.992) 3.557 11.608 ( -1.208 1.722 -1.514) 2.592 14.635 ( -0.136 -0.018 0.379) 0.403 14.656 ( -0.362 0.180 -0.659) 0.773 ======================= Grid point 197 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.188 -1.644 6.077) 6.298 1.290 ( 4.676 1.837 -10.157) 11.332 1.967 ( -3.006 13.773 9.918) 17.237 2.007 ( 2.910 3.847 2.300) 5.344 2.130 ( 1.195 -5.629 -0.294) 5.762 2.248 ( -1.815 4.007 -8.214) 9.317 2.322 ( -0.154 5.221 5.226) 7.389 2.414 ( -7.140 4.782 -1.073) 8.660 2.551 ( 0.482 5.243 7.437) 9.112 2.755 ( 3.819 4.194 -5.324) 7.780 2.876 ( 3.039 -6.894 7.608) 10.707 2.996 ( 2.759 -6.134 -1.554) 6.903 3.207 ( -2.250 -0.083 -3.448) 4.118 3.246 ( -0.321 -3.423 4.255) 5.470 3.322 ( 1.705 -4.317 -4.854) 6.716 3.397 ( -1.888 0.646 -6.768) 7.056 3.471 ( -6.702 4.385 5.067) 9.477 3.605 ( 4.531 0.655 -5.487) 7.146 3.713 ( 3.192 -2.825 5.358) 6.847 3.786 ( -2.446 -0.229 -2.931) 3.824 3.925 ( -1.447 -0.966 5.360) 5.635 4.047 ( 6.795 -1.408 -4.029) 8.024 4.228 ( 0.620 -0.309 -1.204) 1.389 4.241 ( -2.898 -1.050 0.570) 3.134 4.500 ( 3.441 -2.871 -0.606) 4.522 4.589 ( -3.604 -6.087 -7.511) 10.318 4.832 ( 2.033 0.131 6.723) 7.025 4.925 ( -5.243 3.524 -1.061) 6.406 5.050 ( -1.497 -1.466 0.256) 2.111 5.066 ( 1.982 1.207 -0.301) 2.340 5.526 ( 5.593 6.488 3.835) 9.385 5.555 ( -2.178 1.606 0.148) 2.710 5.710 ( -1.668 0.269 0.897) 1.913 5.796 ( -2.325 2.215 -7.083) 7.777 6.622 ( 5.879 -3.645 7.760) 10.396 6.753 ( -4.313 -4.746 -4.814) 8.019 8.241 ( -0.316 2.402 2.038) 3.166 8.290 ( 0.335 2.637 -2.483) 3.637 9.257 ( -0.594 0.524 0.937) 1.227 9.283 ( 0.844 0.181 -1.563) 1.785 10.144 ( 0.476 -1.517 0.598) 1.699 10.161 ( -0.612 -1.557 -0.978) 1.938 10.995 ( -0.404 0.799 1.596) 1.830 11.021 ( 0.635 1.112 -0.859) 1.542 11.503 ( 1.410 1.319 3.051) 3.611 11.558 ( -1.483 1.428 -2.116) 2.952 14.635 ( -0.207 0.121 0.485) 0.541 14.646 ( -0.263 0.192 -0.582) 0.667 ======================= Grid point 198 (99/115) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 2.880 -3.049 4.997) 6.524 1.294 ( 1.640 -2.344 -9.665) 10.079 1.708 ( -6.192 13.594 4.630) 15.639 1.848 ( 1.448 11.360 -4.725) 12.388 2.166 ( -7.789 4.126 -1.251) 8.902 2.190 ( -5.754 -4.417 1.201) 7.353 2.267 ( 2.754 2.117 4.497) 5.682 2.352 ( 3.479 -1.180 -1.531) 3.980 2.538 ( 3.065 2.437 5.728) 6.939 2.686 ( 8.154 4.158 -8.652) 12.595 2.959 ( -9.440 4.653 -6.415) 12.326 3.046 ( 5.366 -0.960 7.065) 8.924 3.143 ( -0.695 1.279 9.323) 9.436 3.219 ( -5.303 2.083 -3.180) 6.525 3.376 ( -0.164 -0.520 -6.515) 6.538 3.446 ( -1.960 -3.287 3.821) 5.408 3.489 ( 5.286 -6.975 1.568) 8.891 3.608 ( 3.989 0.997 -3.769) 5.578 3.695 ( -7.902 1.338 0.327) 8.021 3.811 ( 2.211 -2.385 1.127) 3.442 3.976 ( -1.816 -3.412 3.517) 5.225 4.066 ( 0.711 -0.957 -8.341) 8.426 4.265 ( 1.695 -3.067 -2.736) 4.446 4.304 ( 8.295 -2.853 3.486) 9.439 4.563 ( -6.383 -1.955 -3.692) 7.629 4.622 ( 3.035 -3.843 1.313) 5.070 4.783 ( -4.457 6.426 1.961) 8.062 4.861 ( 3.074 3.993 3.973) 6.417 5.057 ( -0.845 -0.989 0.366) 1.351 5.079 ( 0.567 -1.094 -0.734) 1.434 5.479 ( -3.383 1.780 -3.653) 5.287 5.521 ( 5.077 3.220 2.705) 6.593 5.711 ( -2.053 -0.555 -1.351) 2.519 5.730 ( 1.457 0.099 0.597) 1.578 6.734 ( -6.010 -2.020 -6.771) 9.276 6.759 ( 4.745 -1.722 7.103) 8.714 8.220 ( -0.436 0.903 1.612) 1.899 8.249 ( 0.572 0.890 -1.811) 2.098 9.252 ( -0.617 -0.070 1.092) 1.256 9.282 ( 0.889 -0.007 -1.660) 1.883 10.171 ( -0.354 -0.646 -0.426) 0.851 10.174 ( 0.417 -0.861 0.328) 1.011 10.983 ( -0.507 0.736 1.031) 1.365 11.003 ( 0.480 0.925 -0.934) 1.400 11.512 ( -0.887 0.262 -0.250) 0.958 11.522 ( 0.696 0.165 0.765) 1.047 14.632 ( -0.217 0.191 0.615) 0.679 14.640 ( 0.083 0.134 -0.253) 0.298 ======================= Grid point 199 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 2.890 6.218 -2.508) 7.300 1.295 ( 5.363 3.209 -0.755) 6.295 1.485 ( -10.002 -0.668 -4.923) 11.168 1.751 ( -0.489 -0.390 -3.209) 3.269 1.974 ( -6.898 7.284 -0.339) 10.038 2.193 ( -1.027 1.495 -0.850) 2.003 2.309 ( 3.791 0.720 8.696) 9.514 2.393 ( -0.179 -1.280 -3.373) 3.612 2.564 ( 1.746 -1.136 3.758) 4.297 2.723 ( 9.213 -0.848 -1.847) 9.435 2.754 ( -2.102 6.395 -6.040) 9.045 3.067 ( 6.999 9.034 7.304) 13.563 3.146 ( 0.486 1.492 1.357) 2.074 3.170 ( -5.793 -3.216 2.824) 7.203 3.335 ( -1.009 0.351 -7.461) 7.537 3.430 ( -2.812 2.135 -1.559) 3.860 3.609 ( 1.081 1.549 0.014) 1.890 3.638 ( -5.347 -2.526 1.770) 6.173 3.668 ( 5.315 -3.655 4.952) 8.132 3.835 ( 2.230 0.180 -5.537) 5.971 4.029 ( -3.151 -4.042 2.604) 5.749 4.073 ( -1.966 -3.638 -6.549) 7.746 4.319 ( -1.624 -1.920 -4.564) 5.211 4.396 ( -0.567 1.500 -4.860) 5.117 4.509 ( 3.592 -1.950 3.359) 5.291 4.651 ( -2.164 5.554 4.074) 7.220 4.780 ( 4.996 -5.410 8.098) 10.945 4.807 ( 1.590 5.217 -0.173) 5.457 5.045 ( -1.694 0.912 -0.983) 2.160 5.096 ( 0.155 -0.026 0.693) 0.711 5.432 ( -2.402 -3.268 -5.609) 6.922 5.533 ( 3.777 1.540 2.719) 4.902 5.658 ( -3.676 0.807 -1.599) 4.089 5.826 ( 5.015 -2.755 5.085) 7.655 6.651 ( -7.007 0.089 -8.290) 10.855 6.828 ( 3.048 1.621 5.517) 6.508 8.215 ( -1.059 -0.860 0.676) 1.522 8.259 ( 1.176 -1.545 -0.748) 2.081 9.257 ( -0.661 -0.531 1.068) 1.364 9.284 ( 0.738 -0.242 -1.652) 1.825 10.164 ( -0.575 0.612 -0.600) 1.032 10.189 ( 0.623 0.257 0.717) 0.984 10.973 ( -0.464 0.263 0.749) 0.919 10.993 ( 0.533 0.113 -1.080) 1.210 11.493 ( -2.041 -1.031 -2.082) 3.092 11.555 ( 1.275 -1.134 2.316) 2.876 14.631 ( -0.100 0.178 0.644) 0.676 14.641 ( 0.418 0.042 0.210) 0.470 ======================= Grid point 204 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -3.790 -0.000 21.239) 21.575 1.703 ( 6.473 0.000 -1.947) 6.760 1.728 ( -5.677 -0.000 -1.785) 5.951 2.019 ( -3.212 -0.000 -13.821) 14.190 2.112 ( 15.053 0.000 9.198) 17.641 2.142 ( -0.398 -0.000 6.653) 6.665 2.406 ( -7.415 -0.000 8.900) 11.584 2.461 ( -1.538 -0.000 5.411) 5.626 2.556 ( 7.680 0.000 9.416) 12.151 2.797 ( -2.601 -0.000 -8.857) 9.231 2.903 ( 1.546 0.000 1.115) 1.906 2.990 ( 0.505 0.000 -3.263) 3.302 3.101 ( 1.446 0.000 2.100) 2.550 3.129 ( 10.276 0.000 -2.596) 10.599 3.408 ( -0.566 -0.000 -11.136) 11.150 3.457 ( -1.670 -0.000 0.989) 1.941 3.486 ( 3.225 0.000 -6.578) 7.326 3.604 ( 2.749 0.000 -2.876) 3.978 3.726 ( -2.725 -0.000 2.987) 4.043 3.844 ( -0.013 -0.000 3.004) 3.004 3.881 ( 14.259 0.000 4.663) 15.002 4.000 ( 3.947 0.000 -3.267) 5.124 4.091 ( -7.958 -0.000 2.431) 8.321 4.186 ( -15.333 -0.000 -4.298) 15.925 4.414 ( -0.881 -0.000 -3.271) 3.387 4.491 ( -4.827 -0.000 -1.330) 5.007 4.812 ( 3.511 0.000 5.561) 6.576 5.044 ( 5.542 0.000 -1.014) 5.634 5.055 ( -1.546 -0.000 3.733) 4.041 5.072 ( -0.591 -0.000 -8.884) 8.903 5.604 ( 4.752 0.000 0.087) 4.753 5.660 ( -7.836 -0.000 3.611) 8.628 5.748 ( 4.594 0.000 3.699) 5.899 6.025 ( -5.769 -0.000 -4.947) 7.600 6.425 ( 1.257 0.000 3.837) 4.038 6.510 ( 0.609 0.000 -1.831) 1.930 8.356 ( -1.391 -0.000 1.836) 2.304 8.403 ( 1.111 0.000 -2.726) 2.943 9.290 ( 1.573 0.000 -1.549) 2.208 9.300 ( -1.663 -0.000 0.319) 1.693 10.091 ( -0.344 -0.000 -0.224) 0.411 10.100 ( -0.228 -0.000 -0.852) 0.882 11.006 ( 0.066 0.000 2.144) 2.145 11.053 ( 0.472 0.000 -0.943) 1.054 11.542 ( 0.743 0.000 3.330) 3.412 11.645 ( -1.060 -0.000 -1.428) 1.779 14.634 ( 0.004 0.000 0.480) 0.480 14.659 ( -0.383 -0.000 -0.672) 0.773 ======================= Grid point 205 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -8.856 9.425 17.716) 21.934 1.551 ( 8.856 9.574 -9.569) 16.176 1.852 ( -8.234 -7.702 4.024) 11.971 1.963 ( -0.744 -3.000 -2.553) 4.009 2.267 ( 1.531 -7.943 4.385) 9.201 2.278 ( 2.223 -2.892 8.256) 9.026 2.355 ( -5.441 2.412 4.809) 7.652 2.461 ( 3.138 0.984 -3.477) 4.786 2.691 ( 7.538 -0.492 4.631) 8.861 2.698 ( -5.436 -0.576 -2.163) 5.879 2.896 ( -4.793 5.553 3.555) 8.152 2.964 ( 5.651 1.289 -4.528) 7.355 3.084 ( 1.211 -0.121 0.814) 1.464 3.220 ( 4.189 1.023 8.398) 9.440 3.290 ( 0.072 3.129 -12.564) 12.948 3.430 ( -3.572 0.407 -7.169) 8.020 3.563 ( 1.547 -4.773 0.460) 5.038 3.622 ( -2.253 -1.115 -6.105) 6.602 3.739 ( 9.185 2.673 4.035) 10.382 3.818 ( -5.054 5.641 -2.626) 8.017 3.883 ( -3.741 1.305 4.358) 5.890 3.971 ( 3.109 0.029 -2.660) 4.092 4.129 ( 1.274 -5.141 3.363) 6.274 4.186 ( 0.272 -7.433 -3.854) 8.377 4.420 ( -0.925 -1.875 -0.561) 2.165 4.443 ( -3.128 -0.356 -1.745) 3.599 4.853 ( 2.204 1.066 4.909) 5.486 4.994 ( -1.242 2.780 -7.728) 8.306 5.053 ( -2.201 0.153 2.494) 3.330 5.084 ( 3.091 -0.024 -0.470) 3.127 5.606 ( -3.488 0.365 3.945) 5.279 5.665 ( 1.853 -1.260 -1.336) 2.609 5.781 ( 4.938 4.479 5.197) 8.453 5.900 ( -4.946 3.913 -6.205) 8.847 6.481 ( 2.142 -3.327 4.315) 5.855 6.555 ( -1.206 -5.011 -2.782) 5.857 8.335 ( -1.097 1.969 1.968) 2.992 8.384 ( 1.105 1.906 -2.626) 3.427 9.280 ( -1.496 0.558 0.303) 1.625 9.296 ( 1.615 0.345 -1.222) 2.054 10.095 ( 0.078 -0.855 0.150) 0.872 10.106 ( -0.329 -1.161 -0.814) 1.455 11.014 ( -0.217 0.254 2.044) 2.071 11.048 ( 0.273 0.362 -1.136) 1.223 11.557 ( 1.244 1.157 3.405) 3.806 11.615 ( -1.166 1.237 -2.065) 2.675 14.637 ( 0.010 0.025 0.645) 0.646 14.651 ( -0.434 0.070 -0.640) 0.777 ======================= Grid point 206 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -5.218 3.401 9.118) 11.042 1.401 ( 8.460 9.101 -12.221) 17.428 1.941 ( -5.831 -5.924 4.481) 9.443 2.000 ( -7.147 -3.560 2.639) 8.410 2.247 ( -3.511 8.843 4.870) 10.689 2.303 ( 1.021 2.344 1.124) 2.793 2.364 ( -5.604 -2.122 2.386) 6.450 2.478 ( 5.010 4.399 1.095) 6.757 2.668 ( -0.002 1.282 1.890) 2.284 2.742 ( -4.966 -0.721 0.160) 5.021 2.803 ( 1.587 -1.500 1.467) 2.631 2.950 ( 1.743 1.618 -4.343) 4.951 3.151 ( -0.243 -2.329 -3.724) 4.400 3.213 ( 2.908 -2.897 -8.016) 9.006 3.288 ( -0.696 -0.834 10.123) 10.181 3.319 ( -6.046 -1.311 -8.276) 10.333 3.538 ( -2.336 4.355 2.970) 5.766 3.634 ( 1.852 -1.133 -0.632) 2.261 3.728 ( -3.717 0.300 -3.786) 5.314 3.746 ( 2.885 3.330 -0.002) 4.406 3.891 ( -3.686 -2.823 3.676) 5.922 4.049 ( 7.649 -3.598 -3.436) 9.125 4.228 ( 2.759 -0.586 -0.057) 2.822 4.272 ( 6.069 -1.819 -0.292) 6.343 4.409 ( -5.618 -2.792 -1.681) 6.494 4.497 ( 4.949 -2.859 -0.278) 5.722 4.884 ( 1.752 0.074 5.824) 6.082 4.900 ( -2.619 1.053 -5.243) 5.955 5.039 ( -2.210 0.336 2.232) 3.159 5.098 ( 1.715 0.565 -1.041) 2.084 5.568 ( -4.394 2.496 2.486) 5.632 5.658 ( 1.366 2.666 -3.479) 4.591 5.754 ( 2.637 4.699 6.640) 8.551 5.795 ( -0.188 1.781 -4.511) 4.853 6.595 ( -3.839 -5.143 -3.653) 7.385 6.621 ( 3.258 -5.288 3.648) 7.204 8.294 ( -0.591 2.691 2.199) 3.525 8.335 ( 0.888 3.169 -2.524) 4.147 9.260 ( -1.272 0.424 0.522) 1.439 9.297 ( 1.650 0.688 -1.096) 2.097 10.122 ( -0.118 -1.694 -0.153) 1.705 10.125 ( 0.331 -1.575 0.062) 1.611 11.011 ( -0.658 0.682 1.622) 1.879 11.036 ( 0.237 0.646 -1.308) 1.478 11.559 ( 1.123 1.799 2.492) 3.272 11.565 ( -0.911 1.841 -1.876) 2.782 14.639 ( -0.089 0.153 0.710) 0.731 14.644 ( -0.179 0.060 -0.322) 0.373 ======================= Grid point 207 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -1.769 -2.685 0.477) 3.250 1.317 ( 7.314 3.313 -9.504) 12.442 1.893 ( -9.452 5.411 2.841) 11.256 1.982 ( -10.452 12.946 1.849) 16.741 2.022 ( -5.295 -5.135 -3.169) 8.028 2.224 ( 0.065 7.423 -1.170) 7.515 2.325 ( 1.325 1.722 1.322) 2.543 2.461 ( 3.957 4.392 10.575) 12.115 2.642 ( 0.052 1.941 0.957) 2.165 2.785 ( 0.035 2.942 -7.217) 7.793 2.825 ( -2.229 -6.363 -3.761) 7.720 2.901 ( -4.557 -4.888 -1.364) 6.821 3.135 ( -5.588 -2.770 0.259) 6.242 3.297 ( 2.862 -0.890 3.196) 4.381 3.347 ( -1.143 -5.540 -2.644) 6.244 3.390 ( 2.071 -4.700 2.132) 5.561 3.464 ( 3.485 6.093 3.501) 7.844 3.626 ( -6.913 0.349 0.727) 6.959 3.662 ( 2.974 -0.459 -0.082) 3.010 3.766 ( 1.369 -2.458 -3.982) 4.876 3.911 ( -3.021 -1.067 1.458) 3.520 4.085 ( 4.097 3.455 -7.048) 8.854 4.255 ( 2.632 -1.442 -0.800) 3.106 4.350 ( 0.565 -2.994 -6.679) 7.341 4.441 ( 3.856 -2.219 5.699) 7.230 4.590 ( 2.552 -3.793 2.132) 5.044 4.832 ( -2.424 1.742 -2.120) 3.661 4.959 ( 2.637 -0.185 7.726) 8.165 5.028 ( -0.932 -0.213 0.862) 1.288 5.089 ( 1.264 1.165 -1.520) 2.295 5.463 ( -4.567 3.963 -2.606) 6.584 5.602 ( 0.289 1.969 -3.820) 4.307 5.753 ( 1.320 1.585 -0.681) 2.172 5.762 ( 3.740 2.766 8.218) 9.443 6.587 ( -6.683 -3.405 -7.495) 10.603 6.770 ( 3.234 -4.721 4.854) 7.503 8.257 ( -0.281 2.464 1.972) 3.168 8.276 ( 0.700 2.627 -2.045) 3.401 9.248 ( -0.915 0.049 0.621) 1.107 9.293 ( 1.400 0.714 -1.117) 1.928 10.144 ( -0.254 -1.478 -0.749) 1.676 10.163 ( 0.734 -1.513 0.952) 1.933 10.995 ( -0.925 0.887 1.030) 1.644 11.018 ( 0.205 0.886 -1.378) 1.651 11.506 ( -1.414 1.654 -2.319) 3.180 11.560 ( 1.509 1.330 2.519) 3.224 14.637 ( -0.153 0.141 0.404) 0.455 14.644 ( 0.207 0.108 0.424) 0.484 ======================= Grid point 208 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 1.522 -6.101 -7.280) 9.619 1.259 ( -3.203 3.516 -5.201) 7.048 1.650 ( -4.975 13.259 1.805) 14.277 1.716 ( -7.574 5.171 -1.815) 9.348 2.045 ( -0.224 -2.055 -4.966) 5.379 2.170 ( 0.505 1.869 4.282) 4.700 2.332 ( 0.715 -1.379 -0.106) 1.557 2.417 ( -2.900 3.516 2.913) 5.409 2.650 ( 1.425 -1.409 0.091) 2.006 2.705 ( 0.381 3.582 -0.536) 3.642 2.810 ( 6.299 2.113 -5.495) 8.622 3.034 ( -2.998 -6.685 3.000) 7.917 3.137 ( -5.075 -2.018 -0.052) 5.462 3.304 ( -2.199 0.990 0.280) 2.428 3.315 ( 1.818 5.456 5.552) 7.993 3.447 ( 2.170 1.018 -0.292) 2.415 3.483 ( -2.769 -5.778 -2.031) 6.721 3.647 ( 1.058 -0.586 2.271) 2.573 3.697 ( 1.746 0.085 3.744) 4.132 3.804 ( 2.058 -2.677 -6.791) 7.584 3.910 ( -3.697 -2.782 -0.425) 4.646 4.043 ( 3.416 -0.075 -2.388) 4.169 4.244 ( -8.533 -1.422 -5.234) 10.110 4.366 ( 3.238 -0.736 -6.369) 7.183 4.564 ( 8.298 -0.738 6.116) 10.335 4.681 ( -2.374 -2.604 2.642) 4.404 4.801 ( 2.833 -0.099 5.192) 5.915 4.960 ( 2.470 6.074 4.355) 7.871 5.024 ( -0.901 0.376 -1.234) 1.574 5.084 ( -0.686 -0.767 -0.026) 1.029 5.356 ( -2.988 1.214 -4.426) 5.476 5.565 ( -0.247 0.194 -4.165) 4.177 5.700 ( 1.003 4.046 0.570) 4.207 5.862 ( 5.945 -2.048 9.665) 11.530 6.522 ( -7.864 -1.632 -9.211) 12.221 6.875 ( 2.057 -1.832 3.862) 4.744 8.216 ( -0.436 1.692 0.007) 1.747 8.256 ( 0.752 0.263 -0.012) 0.796 9.246 ( -0.728 -0.304 0.529) 0.950 9.288 ( 1.063 0.485 -1.116) 1.616 10.158 ( -0.182 -0.560 -0.558) 0.811 10.194 ( 0.584 -0.677 0.801) 1.200 10.977 ( -0.844 0.538 0.637) 1.186 10.999 ( 0.236 0.671 -1.284) 1.468 11.463 ( -1.387 0.573 -1.776) 2.325 11.569 ( 1.099 0.308 1.894) 2.211 14.636 ( -0.017 0.128 0.602) 0.615 14.647 ( 0.357 0.050 0.478) 0.599 ======================= Grid point 214 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -6.445 -0.000 24.446) 25.282 1.508 ( -15.623 -0.000 -0.287) 15.626 1.864 ( 3.198 0.000 -14.772) 15.115 1.877 ( 9.633 0.000 2.711) 10.007 2.144 ( -10.539 -0.000 6.446) 12.354 2.212 ( -8.360 -0.000 1.929) 8.580 2.448 ( 7.339 0.000 5.822) 9.368 2.553 ( 10.915 0.000 -0.627) 10.934 2.635 ( -7.700 -0.000 -5.521) 9.475 2.706 ( 2.285 0.000 -0.727) 2.397 2.918 ( -1.087 -0.000 3.206) 3.386 2.975 ( 1.938 0.000 -5.276) 5.620 3.145 ( -1.474 -0.000 7.860) 7.998 3.214 ( -2.109 -0.000 -0.794) 2.254 3.299 ( -16.122 -0.000 -12.342) 20.304 3.384 ( 4.881 0.000 -0.291) 4.890 3.511 ( 1.548 0.000 4.308) 4.578 3.529 ( -4.259 -0.000 -8.237) 9.273 3.826 ( 0.145 0.000 -4.589) 4.592 3.871 ( 8.329 0.000 1.437) 8.452 3.880 ( -9.997 -0.000 1.697) 10.140 3.975 ( -4.734 -0.000 1.099) 4.860 4.097 ( 9.238 0.000 0.970) 9.288 4.153 ( 13.187 0.000 -1.434) 13.265 4.401 ( -3.033 -0.000 -0.779) 3.132 4.434 ( 3.375 0.000 3.790) 5.075 4.902 ( 0.337 0.000 5.624) 5.634 4.972 ( -1.326 -0.000 -9.466) 9.558 5.032 ( -3.348 -0.000 1.681) 3.746 5.108 ( 2.030 0.000 -1.601) 2.586 5.564 ( -6.386 -0.000 3.866) 7.465 5.691 ( 5.063 0.000 0.099) 5.064 5.854 ( -5.935 -0.000 -6.257) 8.624 5.922 ( 7.904 0.000 5.386) 9.565 6.463 ( -0.345 -0.000 2.707) 2.729 6.495 ( -0.129 -0.000 -2.885) 2.888 8.352 ( -1.103 -0.000 2.075) 2.350 8.402 ( 1.430 0.000 -2.453) 2.839 9.270 ( -1.737 -0.000 0.305) 1.764 9.313 ( 2.075 0.000 -0.919) 2.269 10.087 ( 0.017 0.000 0.265) 0.265 10.093 ( 0.178 0.000 -0.391) 0.430 11.023 ( -0.506 -0.000 1.921) 1.987 11.045 ( -0.144 -0.000 -1.435) 1.442 11.596 ( 1.434 0.000 3.230) 3.535 11.606 ( -1.024 -0.000 -2.578) 2.774 14.642 ( 0.094 0.000 0.885) 0.890 14.644 ( -0.432 -0.000 -0.498) 0.660 ======================= Grid point 215 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -12.195 7.981 10.133) 17.750 1.604 ( 6.724 6.831 -8.264) 12.655 1.754 ( -7.054 -7.698 8.856) 13.691 1.934 ( -10.426 2.159 7.249) 12.880 2.158 ( -5.029 -4.500 -3.544) 7.622 2.226 ( -1.951 -8.888 -3.434) 9.726 2.424 ( -6.096 7.241 3.056) 9.947 2.598 ( 7.114 -2.100 -2.643) 7.875 2.640 ( 6.624 1.177 0.531) 6.748 2.760 ( -5.303 -1.884 2.875) 6.319 2.843 ( 2.654 5.651 -2.163) 6.607 2.909 ( -13.868 2.053 -7.184) 15.752 3.114 ( -3.726 -1.739 -5.273) 6.687 3.154 ( -1.365 -1.104 6.895) 7.115 3.191 ( -3.326 -0.566 -5.945) 6.836 3.366 ( 0.982 3.263 2.751) 4.379 3.540 ( -0.196 -5.077 -0.732) 5.133 3.570 ( 0.549 -1.357 2.733) 3.100 3.752 ( -4.170 4.042 0.341) 5.817 3.801 ( -2.102 0.337 -1.860) 2.827 3.891 ( 1.952 5.169 0.251) 5.531 4.001 ( 4.575 -6.590 -5.728) 9.857 4.231 ( 5.308 -3.232 -2.436) 6.675 4.264 ( 6.830 0.615 0.865) 6.912 4.419 ( 3.972 -2.009 4.634) 6.426 4.506 ( 5.394 -1.427 2.058) 5.947 4.874 ( -3.452 2.735 -8.138) 9.253 4.922 ( -0.724 -0.094 5.366) 5.415 5.020 ( -1.796 -0.622 1.025) 2.159 5.107 ( 0.368 0.081 -1.591) 1.635 5.547 ( -5.340 -1.538 3.695) 6.674 5.693 ( -0.209 4.027 -3.170) 5.129 5.797 ( 1.687 -0.917 -1.841) 2.660 5.940 ( 5.712 7.351 4.926) 10.532 6.476 ( -2.983 -1.974 -3.498) 5.003 6.553 ( 1.295 -6.460 1.653) 6.793 8.337 ( -0.861 1.643 2.253) 2.918 8.384 ( 1.476 2.231 -2.314) 3.537 9.255 ( -1.416 0.190 0.632) 1.562 9.322 ( 2.021 0.666 -0.911) 2.314 10.096 ( 0.024 -0.782 -0.129) 0.793 10.107 ( 0.622 -1.268 0.533) 1.510 11.021 ( -0.963 0.449 1.553) 1.882 11.035 ( -0.174 0.084 -1.566) 1.578 11.571 ( -0.918 1.380 -2.729) 3.192 11.614 ( 1.451 1.140 2.665) 3.241 14.639 ( -0.322 0.003 -0.218) 0.389 14.647 ( 0.118 0.051 0.972) 0.981 ======================= Grid point 216 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -6.675 -0.098 5.962) 8.950 1.450 ( 8.649 9.122 -12.511) 17.735 1.795 ( -15.551 -0.402 -1.320) 15.612 1.900 ( -3.703 -6.409 4.686) 8.760 2.109 ( -11.818 12.102 3.216) 17.218 2.240 ( -4.140 -4.937 -1.861) 6.706 2.308 ( -9.395 -2.752 -3.476) 10.389 2.585 ( -2.044 3.108 -1.229) 3.918 2.640 ( -0.130 4.840 6.694) 8.261 2.712 ( 1.783 -0.669 2.640) 3.255 2.785 ( -1.591 -1.926 -1.308) 2.820 2.885 ( 3.482 -1.557 -1.404) 4.064 3.025 ( -3.265 0.794 -10.952) 11.456 3.236 ( 0.624 -4.230 3.085) 5.272 3.266 ( -2.302 -8.665 1.518) 9.093 3.360 ( -0.062 1.036 7.441) 7.513 3.582 ( 2.115 0.391 1.877) 2.855 3.605 ( -1.218 0.217 -0.223) 1.257 3.660 ( 0.334 2.509 -0.162) 2.536 3.782 ( 3.484 1.097 -3.391) 4.984 3.878 ( -0.765 -1.692 3.154) 3.660 4.067 ( -1.939 -3.347 -12.872) 13.441 4.228 ( 1.049 2.982 -1.970) 3.724 4.328 ( 5.045 0.072 0.392) 5.061 4.526 ( 4.575 -0.963 3.557) 5.875 4.584 ( 6.697 -1.385 1.716) 7.051 4.792 ( -2.528 -1.301 -5.279) 5.996 4.956 ( -2.849 -2.434 3.042) 4.826 5.034 ( 1.391 -0.486 2.073) 2.543 5.108 ( 1.168 -0.183 0.003) 1.183 5.508 ( -4.032 3.836 3.194) 6.417 5.598 ( -1.533 2.002 -5.558) 6.103 5.819 ( 4.222 3.127 -0.318) 5.264 5.896 ( 3.905 4.038 7.917) 9.707 6.447 ( -5.318 -1.835 -6.223) 8.389 6.702 ( 1.269 -7.341 2.110) 7.743 8.306 ( -0.555 2.267 2.291) 3.270 8.333 ( 1.279 3.703 -2.187) 4.487 9.245 ( -0.919 0.135 0.870) 1.273 9.319 ( 1.729 1.091 -1.119) 2.331 10.114 ( 0.065 -1.372 -0.438) 1.442 10.146 ( 0.829 -1.770 0.884) 2.145 11.005 ( -1.269 0.818 1.088) 1.860 11.023 ( -0.029 0.416 -1.582) 1.636 11.519 ( -0.808 2.093 -2.238) 3.168 11.612 ( 1.268 1.692 1.999) 2.910 14.637 ( -0.155 -0.073 0.065) 0.183 14.651 ( 0.122 0.128 0.916) 0.933 ======================= Grid point 217 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.516 -2.561 -1.017) 2.804 1.326 ( 2.988 6.723 -7.562) 10.551 1.683 ( -13.636 -2.759 -4.127) 14.512 1.732 ( -14.577 12.011 -1.620) 18.957 1.981 ( 4.328 -2.345 -0.004) 4.923 2.220 ( -5.935 -0.754 -5.297) 7.991 2.252 ( -3.446 -0.729 1.600) 3.869 2.467 ( -3.685 5.610 3.827) 7.727 2.682 ( 2.922 2.771 8.916) 9.783 2.799 ( 2.744 -0.509 -3.395) 4.395 2.846 ( -2.332 -11.319 7.043) 13.533 2.893 ( 4.542 3.792 -7.013) 9.175 3.002 ( -4.856 -6.557 -2.334) 8.487 3.280 ( -1.804 -0.303 -1.006) 2.088 3.341 ( -2.950 -2.077 4.166) 5.511 3.418 ( 1.482 -2.509 4.782) 5.600 3.529 ( 0.364 3.840 -0.571) 3.899 3.644 ( 2.778 -2.030 0.770) 3.526 3.694 ( 1.724 -2.301 0.438) 2.908 3.794 ( 5.606 0.477 -3.679) 6.723 3.889 ( -2.321 2.295 4.732) 5.748 4.018 ( -5.790 -4.264 -11.326) 13.416 4.141 ( -0.163 3.969 0.306) 3.984 4.380 ( 5.071 -0.369 -3.657) 6.263 4.595 ( -0.446 -4.435 2.023) 4.895 4.665 ( 3.564 -0.092 1.786) 3.988 4.812 ( 3.050 -1.599 -1.586) 3.791 4.971 ( -3.652 -2.272 1.183) 4.461 5.056 ( -0.812 -0.838 -0.409) 1.236 5.126 ( 3.367 3.049 3.046) 5.469 5.394 ( -1.508 6.275 0.936) 6.521 5.538 ( -1.458 0.510 -4.217) 4.491 5.774 ( 1.791 4.321 -1.413) 4.886 5.952 ( 5.097 -0.277 9.625) 10.894 6.387 ( -5.719 -1.079 -7.050) 9.142 6.836 ( 0.609 -5.644 1.852) 5.971 8.263 ( 0.240 3.618 -0.182) 3.631 8.279 ( 0.315 1.731 0.203) 1.771 9.241 ( -0.603 0.042 0.868) 1.058 9.308 ( 1.366 1.079 -1.341) 2.198 10.138 ( 0.158 -1.332 -0.508) 1.434 10.185 ( 0.645 -1.334 0.639) 1.614 10.983 ( -1.214 0.802 0.874) 1.697 11.005 ( 0.015 0.659 -1.486) 1.625 11.469 ( -0.563 1.825 -1.276) 2.297 11.602 ( 0.864 1.446 1.341) 2.153 14.638 ( -0.064 -0.099 0.274) 0.298 14.653 ( 0.090 0.126 0.631) 0.649 ======================= Grid point 224 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -17.933 -0.000 3.512) 18.273 1.535 ( -10.459 -0.000 22.406) 24.727 1.815 ( -20.543 -0.000 -10.475) 23.060 1.841 ( 7.009 0.000 -11.205) 13.217 2.091 ( 6.334 0.000 3.019) 7.017 2.098 ( -5.390 -0.000 5.411) 7.637 2.395 ( -10.987 -0.000 -5.362) 12.226 2.613 ( 0.362 0.000 -10.098) 10.104 2.676 ( -9.039 -0.000 8.933) 12.709 2.716 ( 7.593 0.000 -4.972) 9.076 2.774 ( -8.989 -0.000 -0.177) 8.991 2.960 ( 3.407 0.000 -7.970) 8.668 2.982 ( -0.109 -0.000 6.375) 6.376 3.123 ( -4.544 -0.000 -8.454) 9.597 3.216 ( -5.071 -0.000 11.349) 12.430 3.360 ( -3.552 -0.000 1.307) 3.785 3.502 ( 3.305 0.000 1.320) 3.559 3.628 ( 6.938 0.000 3.594) 7.814 3.696 ( -8.654 -0.000 -2.132) 8.913 3.845 ( 2.175 0.000 0.468) 2.225 3.909 ( 1.000 0.000 -5.912) 5.996 3.977 ( 4.915 0.000 -2.278) 5.417 4.237 ( 5.599 0.000 -2.146) 5.996 4.385 ( -0.069 -0.000 3.406) 3.406 4.406 ( 9.572 0.000 -1.025) 9.627 4.569 ( 6.225 0.000 3.530) 7.156 4.829 ( -3.988 -0.000 -9.760) 10.543 4.906 ( -4.531 -0.000 3.110) 5.496 5.031 ( 1.959 0.000 4.800) 5.184 5.090 ( -1.600 -0.000 -2.443) 2.920 5.492 ( -5.433 -0.000 3.608) 6.522 5.719 ( -2.642 -0.000 -3.497) 4.383 5.812 ( 7.133 0.000 2.195) 7.463 6.097 ( 5.883 0.000 1.891) 6.179 6.436 ( -2.457 -0.000 -4.788) 5.381 6.473 ( -0.938 -0.000 2.240) 2.428 8.355 ( -0.912 -0.000 2.397) 2.564 8.409 ( 1.762 0.000 -2.184) 2.806 9.248 ( -1.268 -0.000 1.098) 1.678 9.343 ( 2.038 0.000 -1.051) 2.293 10.096 ( 0.307 0.000 0.732) 0.794 10.099 ( 0.536 0.000 -0.002) 0.536 11.023 ( -1.188 -0.000 1.630) 2.017 11.024 ( -0.301 -0.000 -1.709) 1.736 11.564 ( -0.491 -0.000 -2.721) 2.765 11.648 ( 1.252 0.000 2.013) 2.370 14.635 ( -0.283 -0.000 -0.123) 0.308 14.653 ( 0.029 0.000 1.026) 1.026 ======================= Grid point 225 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -15.002 0.703 8.008) 17.020 1.469 ( -28.105 -2.751 -13.700) 31.387 1.665 ( 1.123 -1.042 1.298) 2.008 1.779 ( -2.962 0.626 1.420) 3.344 2.109 ( -8.102 -2.100 1.481) 8.500 2.179 ( 3.392 -0.876 3.363) 4.857 2.223 ( -11.992 7.948 7.255) 16.112 2.550 ( -3.979 -6.652 -11.109) 13.546 2.616 ( -6.024 1.794 1.246) 6.407 2.747 ( 0.340 -2.241 -1.288) 2.607 2.790 ( 4.172 0.280 1.585) 4.472 2.932 ( 6.713 2.230 -2.370) 7.460 2.978 ( -6.215 4.291 -9.026) 11.769 3.098 ( -4.014 -7.214 2.413) 8.601 3.224 ( -2.247 -1.771 9.076) 9.516 3.382 ( -0.312 -1.814 6.525) 6.779 3.571 ( 0.069 -4.162 -1.909) 4.580 3.596 ( -2.586 0.939 -2.245) 3.551 3.722 ( 5.858 1.223 6.523) 8.852 3.800 ( 0.765 4.039 -0.901) 4.209 3.922 ( 2.221 1.083 -1.403) 2.842 3.985 ( 4.505 0.815 -6.128) 7.649 4.280 ( 3.856 0.739 -5.829) 7.028 4.382 ( 4.209 0.092 1.279) 4.400 4.510 ( 0.543 -3.598 -2.217) 4.261 4.654 ( 6.904 -0.702 2.820) 7.490 4.709 ( -5.109 1.199 -7.814) 9.413 4.896 ( -4.070 -1.472 2.400) 4.949 5.043 ( -1.002 0.586 -1.282) 1.730 5.113 ( 2.458 -1.951 5.095) 5.984 5.481 ( -4.966 -1.921 1.887) 5.649 5.644 ( -0.003 4.804 -0.952) 4.898 5.911 ( 8.249 0.102 1.636) 8.410 6.055 ( 1.794 6.930 2.253) 7.504 6.373 ( -3.374 0.636 -3.962) 5.243 6.569 ( -0.739 -8.187 0.695) 8.250 8.345 ( -0.814 1.478 2.389) 2.925 8.393 ( 1.713 2.492 -2.095) 3.679 9.244 ( -0.866 0.026 1.448) 1.687 9.348 ( 1.794 0.859 -1.403) 2.434 10.098 ( 0.202 -0.360 -0.109) 0.427 10.126 ( 0.629 -1.685 0.527) 1.874 11.010 ( -0.901 0.486 0.062) 1.026 11.020 ( -0.367 0.099 -0.122) 0.399 11.536 ( -0.237 1.410 -2.035) 2.487 11.656 ( 0.962 1.126 1.343) 2.000 14.633 ( -0.214 -0.122 -0.007) 0.246 14.657 ( -0.099 0.028 0.827) 0.834 ======================= Grid point 226 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -11.232 -7.697 1.290) 13.677 1.283 ( -19.884 -8.462 -3.551) 21.899 1.533 ( 6.139 9.412 -12.883) 17.095 1.849 ( -16.351 8.401 7.574) 19.883 1.952 ( 1.243 -3.784 -0.484) 4.012 2.063 ( -6.339 -0.654 1.735) 6.604 2.297 ( 2.700 -0.805 8.734) 9.177 2.529 ( -3.503 3.050 2.427) 5.241 2.637 ( -3.842 -8.580 -5.599) 10.942 2.739 ( -7.152 0.754 -2.408) 7.584 2.795 ( 0.496 -0.442 -4.040) 4.094 2.897 ( 1.854 -2.402 3.097) 4.335 2.951 ( 6.535 1.595 -1.606) 6.916 3.176 ( -7.352 -8.038 -2.076) 11.089 3.300 ( 2.238 -1.397 4.357) 5.093 3.461 ( 1.661 -0.442 10.320) 10.463 3.535 ( -4.606 0.727 -2.478) 5.281 3.655 ( 0.763 -4.137 -2.606) 4.948 3.731 ( 5.593 6.362 2.378) 8.798 3.755 ( -3.029 -3.946 -2.184) 5.433 3.933 ( 3.300 2.677 -5.494) 6.945 3.981 ( 6.308 2.131 7.091) 9.727 4.235 ( 2.756 3.976 -5.484) 7.313 4.398 ( 2.817 0.634 -4.301) 5.180 4.531 ( -0.608 -1.442 -0.236) 1.583 4.642 ( -4.385 -2.762 -1.727) 5.463 4.780 ( 4.374 -3.903 -5.219) 7.849 4.905 ( -2.797 -2.304 4.342) 5.656 5.021 ( -1.764 -0.915 -2.572) 3.250 5.188 ( 2.588 -0.218 3.624) 4.458 5.457 ( -4.755 0.559 1.519) 5.023 5.562 ( 2.009 4.966 -0.340) 5.368 5.897 ( 4.165 6.943 -2.756) 8.553 6.018 ( 0.394 1.504 4.219) 4.497 6.330 ( -0.528 -0.116 -1.039) 1.171 6.714 ( -0.770 -8.520 0.691) 8.583 8.315 ( -0.765 2.162 2.029) 3.062 8.339 ( 1.453 4.071 -1.963) 4.747 9.243 ( -0.490 0.143 1.460) 1.547 9.335 ( 1.465 1.312 -1.793) 2.661 10.114 ( 0.296 -1.268 -0.488) 1.391 10.165 ( 0.496 -1.801 0.173) 1.876 10.991 ( -1.085 0.806 0.843) 1.593 11.009 ( -0.000 0.631 -0.888) 1.089 11.497 ( 0.066 2.019 -0.690) 2.135 11.643 ( 0.602 1.738 0.772) 1.995 14.635 ( -0.180 -0.235 0.030) 0.297 14.658 ( -0.252 0.089 0.441) 0.516 ======================= Grid point 234 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -14.200 -0.000 11.463) 18.250 0.998 ( -39.324 -0.000 -17.550) 43.063 1.584 ( -11.961 -0.000 18.482) 22.015 1.875 ( 3.228 0.000 -3.469) 4.739 2.042 ( -9.044 -0.000 0.784) 9.078 2.236 ( 1.435 0.000 8.510) 8.630 2.270 ( 4.601 0.000 3.894) 6.028 2.388 ( -4.578 -0.000 -10.782) 11.713 2.553 ( -10.177 -0.000 6.487) 12.069 2.681 ( 0.317 0.000 -19.671) 19.674 2.823 ( -2.076 -0.000 4.618) 5.063 2.910 ( -3.791 -0.000 -4.154) 5.624 3.000 ( 2.174 0.000 -2.577) 3.372 3.009 ( -3.542 -0.000 0.111) 3.544 3.197 ( -3.654 -0.000 7.302) 8.165 3.398 ( 1.345 0.000 7.029) 7.156 3.504 ( -3.348 -0.000 -4.790) 5.844 3.564 ( -2.455 -0.000 1.767) 3.025 3.853 ( 5.787 0.000 7.696) 9.629 3.869 ( 2.507 0.000 -7.380) 7.794 3.945 ( 9.276 0.000 5.683) 10.878 4.064 ( 7.047 0.000 -6.070) 9.301 4.257 ( 1.407 0.000 -9.535) 9.638 4.418 ( 1.220 0.000 -6.569) 6.682 4.436 ( -0.192 -0.000 4.556) 4.560 4.661 ( -3.837 -0.000 -6.445) 7.501 4.711 ( 5.440 0.000 -0.104) 5.441 4.862 ( -3.648 -0.000 3.740) 5.224 5.014 ( -3.203 -0.000 -2.731) 4.209 5.152 ( 2.562 0.000 7.627) 8.046 5.424 ( -4.647 -0.000 1.747) 4.964 5.712 ( 2.222 0.000 3.184) 3.882 5.991 ( 7.625 0.000 -4.660) 8.936 6.118 ( -1.371 -0.000 -0.049) 1.372 6.350 ( -1.490 -0.000 -1.560) 2.157 6.478 ( -0.962 -0.000 2.750) 2.913 8.362 ( -0.922 -0.000 2.533) 2.695 8.422 ( 1.806 0.000 -2.185) 2.835 9.244 ( -0.790 -0.000 2.008) 2.157 9.364 ( 1.601 0.000 -1.856) 2.451 10.105 ( 0.182 0.000 -0.600) 0.627 10.107 ( 0.004 0.000 0.511) 0.511 11.007 ( 0.251 0.000 -1.367) 1.390 11.021 ( -0.599 -0.000 2.113) 2.196 11.540 ( 0.109 0.000 -1.508) 1.512 11.678 ( 0.541 0.000 0.680) 0.869 14.630 ( -0.232 -0.000 -0.039) 0.235 14.658 ( -0.376 -0.000 0.530) 0.650 ======================= Grid point 235 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -31.419 -7.181 -5.046) 32.622 1.010 ( -10.503 -8.819 15.757) 20.889 1.667 ( -10.179 -9.807 16.983) 22.096 1.760 ( 2.494 10.773 -4.791) 12.051 1.923 ( -8.115 2.769 -3.636) 9.314 2.165 ( -0.394 9.033 -3.422) 9.667 2.358 ( 1.966 -3.483 10.028) 10.796 2.424 ( 1.202 -5.515 0.167) 5.647 2.509 ( -7.815 -0.961 3.980) 8.823 2.589 ( -5.947 -2.116 -16.113) 17.305 2.832 ( -4.675 -2.956 0.151) 5.533 2.840 ( -4.773 -0.437 -0.258) 4.800 2.996 ( 1.641 0.703 -3.513) 3.941 3.030 ( 3.910 -2.353 -2.191) 5.062 3.282 ( -0.216 -6.320 5.246) 8.216 3.432 ( -6.859 -3.003 -2.894) 8.028 3.504 ( 2.197 -3.707 1.235) 4.482 3.564 ( -2.378 0.025 6.077) 6.525 3.757 ( 0.239 6.062 -3.436) 6.972 3.937 ( 5.906 6.901 1.798) 9.260 3.978 ( 3.998 0.153 -4.897) 6.324 4.125 ( 12.159 0.492 6.765) 13.923 4.237 ( 2.647 -0.548 -11.932) 12.235 4.416 ( 1.643 0.040 -3.074) 3.486 4.496 ( -4.478 -5.641 0.369) 7.212 4.565 ( -0.254 4.549 -0.098) 4.557 4.751 ( 2.629 -0.556 -4.955) 5.637 4.863 ( -3.176 -2.136 4.892) 6.211 4.978 ( -2.099 -0.308 -2.194) 3.052 5.214 ( 1.177 -0.871 4.467) 4.701 5.401 ( -4.366 -1.323 0.489) 4.589 5.695 ( 2.996 6.105 4.385) 8.092 5.934 ( -5.846 -0.862 -10.295) 11.870 6.128 ( 5.189 7.567 1.590) 9.313 6.339 ( 2.363 -1.081 2.874) 3.875 6.566 ( -0.109 -7.665 2.653) 8.112 8.351 ( -0.946 1.534 2.343) 2.956 8.404 ( 1.580 2.627 -2.221) 3.786 9.249 ( -0.527 -0.013 2.117) 2.182 9.359 ( 1.288 0.914 -2.346) 2.828 10.098 ( 0.100 -0.424 -0.587) 0.731 10.133 ( -0.118 -1.991 -0.379) 2.030 11.000 ( 0.208 0.625 -0.345) 0.743 11.022 ( -0.011 0.787 1.237) 1.466 11.526 ( 0.384 1.156 -0.050) 1.219 11.674 ( 0.161 1.003 0.123) 1.023 14.629 ( -0.219 -0.169 -0.068) 0.285 14.656 ( -0.573 -0.018 0.121) 0.586 ======================= Grid point 244 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 4.898 0.000 27.829) 28.256 0.932 ( -4.885 -0.000 20.552) 21.124 1.561 ( -11.037 -0.000 22.087) 24.691 1.761 ( -12.422 -0.000 0.556) 12.435 2.010 ( 6.635 0.000 -1.853) 6.889 2.078 ( -6.324 -0.000 -15.713) 16.938 2.413 ( -10.805 -0.000 10.644) 15.167 2.423 ( -0.256 -0.000 3.040) 3.050 2.434 ( -6.781 -0.000 -14.724) 16.211 2.518 ( 12.232 0.000 8.805) 15.072 2.650 ( -10.056 -0.000 -2.075) 10.268 2.809 ( -3.293 -0.000 -4.822) 5.839 3.020 ( 0.133 0.000 0.813) 0.824 3.054 ( 4.095 0.000 -0.509) 4.127 3.200 ( -0.059 -0.000 1.544) 1.545 3.258 ( -7.724 -0.000 -17.623) 19.241 3.537 ( 5.014 0.000 6.331) 8.076 3.598 ( -1.925 -0.000 9.922) 10.107 3.834 ( 3.118 0.000 -11.621) 12.032 3.944 ( -3.109 -0.000 1.076) 3.290 4.030 ( 0.516 0.000 -4.748) 4.776 4.174 ( 1.961 0.000 -10.325) 10.510 4.313 ( 16.934 0.000 7.735) 18.617 4.418 ( 2.696 0.000 -2.243) 3.507 4.422 ( -1.692 -0.000 0.171) 1.700 4.620 ( -0.370 -0.000 1.741) 1.780 4.740 ( 0.326 0.000 -4.813) 4.824 4.827 ( -4.653 -0.000 3.774) 5.991 4.960 ( 0.474 0.000 -0.234) 0.529 5.228 ( -0.657 -0.000 3.742) 3.800 5.352 ( -4.376 -0.000 1.437) 4.606 5.736 ( -13.515 -0.000 -11.399) 17.680 5.846 ( 5.407 0.000 7.973) 9.634 6.284 ( 1.733 0.000 -4.201) 4.544 6.383 ( 10.652 0.000 4.576) 11.593 6.491 ( -1.343 -0.000 3.928) 4.151 8.368 ( -1.026 -0.000 2.548) 2.747 8.430 ( 1.433 0.000 -2.483) 2.867 9.255 ( -0.559 -0.000 2.676) 2.734 9.365 ( 0.940 0.000 -2.903) 3.051 10.094 ( -0.160 -0.000 -1.120) 1.131 10.103 ( -0.643 -0.000 -0.049) 0.645 11.010 ( 1.098 0.000 -0.577) 1.241 11.042 ( 0.425 0.000 1.343) 1.409 11.543 ( 0.806 0.000 1.113) 1.374 11.679 ( -0.639 -0.000 -0.565) 0.853 14.625 ( -0.141 -0.000 -0.051) 0.151 14.649 ( -0.766 -0.000 -0.130) 0.776 =================== 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 3/19440 10.0 43.474 24.532 52.046 -0.000 16.075 -0.000 3/19440 20.0 10.624 6.076 13.030 -0.000 3.253 -0.000 3/19440 30.0 5.303 3.034 6.272 -0.000 1.483 -0.000 3/19440 40.0 3.421 1.986 3.987 -0.000 0.896 -0.000 3/19440 50.0 2.521 1.484 2.925 -0.000 0.633 -0.000 3/19440 60.0 2.005 1.193 2.325 -0.000 0.491 -0.000 3/19440 70.0 1.672 1.004 1.940 -0.000 0.404 -0.000 3/19440 80.0 1.437 0.870 1.671 -0.000 0.345 -0.000 3/19440 90.0 1.263 0.769 1.471 -0.000 0.303 -0.000 3/19440 100.0 1.128 0.690 1.316 -0.000 0.270 -0.000 3/19440 110.0 1.020 0.626 1.191 -0.000 0.244 -0.000 3/19440 120.0 0.931 0.574 1.089 -0.000 0.223 -0.000 3/19440 130.0 0.857 0.530 1.003 -0.000 0.206 -0.000 3/19440 140.0 0.794 0.492 0.930 -0.000 0.191 -0.000 3/19440 150.0 0.739 0.459 0.867 -0.000 0.178 -0.000 3/19440 160.0 0.692 0.431 0.813 -0.000 0.167 -0.000 3/19440 170.0 0.651 0.406 0.764 -0.000 0.157 -0.000 3/19440 180.0 0.614 0.383 0.722 -0.000 0.148 -0.000 3/19440 190.0 0.581 0.363 0.684 -0.000 0.140 -0.000 3/19440 200.0 0.552 0.345 0.649 -0.000 0.133 -0.000 3/19440 210.0 0.525 0.329 0.618 -0.000 0.127 -0.000 3/19440 220.0 0.501 0.314 0.590 -0.000 0.121 -0.000 3/19440 230.0 0.479 0.300 0.564 -0.000 0.116 -0.000 3/19440 240.0 0.459 0.288 0.541 -0.000 0.111 -0.000 3/19440 250.0 0.440 0.277 0.519 -0.000 0.107 -0.000 3/19440 260.0 0.423 0.266 0.499 -0.000 0.103 -0.000 3/19440 270.0 0.408 0.256 0.481 -0.000 0.099 -0.000 3/19440 280.0 0.393 0.247 0.464 -0.000 0.095 -0.000 3/19440 290.0 0.379 0.239 0.448 -0.000 0.092 -0.000 3/19440 300.0 0.367 0.231 0.433 -0.000 0.089 -0.000 3/19440 310.0 0.355 0.223 0.419 -0.000 0.086 -0.000 3/19440 320.0 0.344 0.216 0.406 -0.000 0.083 -0.000 3/19440 330.0 0.333 0.210 0.393 -0.000 0.081 -0.000 3/19440 340.0 0.323 0.204 0.382 -0.000 0.079 -0.000 3/19440 350.0 0.314 0.198 0.371 -0.000 0.076 -0.000 3/19440 360.0 0.305 0.193 0.361 -0.000 0.074 -0.000 3/19440 370.0 0.297 0.187 0.351 -0.000 0.072 -0.000 3/19440 380.0 0.289 0.182 0.342 -0.000 0.070 -0.000 3/19440 390.0 0.282 0.178 0.333 -0.000 0.069 -0.000 3/19440 400.0 0.275 0.173 0.325 -0.000 0.067 -0.000 3/19440 410.0 0.268 0.169 0.317 -0.000 0.065 -0.000 3/19440 420.0 0.262 0.165 0.309 -0.000 0.064 -0.000 3/19440 430.0 0.256 0.161 0.302 -0.000 0.062 -0.000 3/19440 440.0 0.250 0.158 0.295 -0.000 0.061 -0.000 3/19440 450.0 0.244 0.154 0.289 -0.000 0.059 -0.000 3/19440 460.0 0.239 0.151 0.282 -0.000 0.058 -0.000 3/19440 470.0 0.234 0.148 0.276 -0.000 0.057 -0.000 3/19440 480.0 0.229 0.145 0.271 -0.000 0.056 -0.000 3/19440 490.0 0.224 0.142 0.265 -0.000 0.055 -0.000 3/19440 500.0 0.220 0.139 0.260 -0.000 0.054 -0.000 3/19440 510.0 0.215 0.136 0.255 -0.000 0.052 -0.000 3/19440 520.0 0.211 0.134 0.250 -0.000 0.051 -0.000 3/19440 530.0 0.207 0.131 0.245 -0.000 0.050 -0.000 3/19440 540.0 0.203 0.129 0.240 -0.000 0.050 -0.000 3/19440 550.0 0.200 0.126 0.236 -0.000 0.049 -0.000 3/19440 560.0 0.196 0.124 0.232 -0.000 0.048 -0.000 3/19440 570.0 0.193 0.122 0.228 -0.000 0.047 -0.000 3/19440 580.0 0.189 0.120 0.224 -0.000 0.046 -0.000 3/19440 590.0 0.186 0.118 0.220 -0.000 0.045 -0.000 3/19440 600.0 0.183 0.116 0.216 -0.000 0.045 -0.000 3/19440 610.0 0.180 0.114 0.213 -0.000 0.044 -0.000 3/19440 620.0 0.177 0.112 0.209 -0.000 0.043 -0.000 3/19440 630.0 0.174 0.110 0.206 -0.000 0.042 -0.000 3/19440 640.0 0.172 0.109 0.203 -0.000 0.042 -0.000 3/19440 650.0 0.169 0.107 0.200 -0.000 0.041 -0.000 3/19440 660.0 0.166 0.105 0.197 -0.000 0.041 -0.000 3/19440 670.0 0.164 0.104 0.194 -0.000 0.040 -0.000 3/19440 680.0 0.162 0.102 0.191 -0.000 0.039 -0.000 3/19440 690.0 0.159 0.101 0.188 -0.000 0.039 -0.000 3/19440 700.0 0.157 0.099 0.186 -0.000 0.038 -0.000 3/19440 710.0 0.155 0.098 0.183 -0.000 0.038 -0.000 3/19440 720.0 0.153 0.097 0.180 -0.000 0.037 -0.000 3/19440 730.0 0.150 0.095 0.178 -0.000 0.037 -0.000 3/19440 740.0 0.148 0.094 0.176 -0.000 0.036 -0.000 3/19440 750.0 0.146 0.093 0.173 -0.000 0.036 -0.000 3/19440 760.0 0.144 0.091 0.171 -0.000 0.035 -0.000 3/19440 770.0 0.143 0.090 0.169 -0.000 0.035 -0.000 3/19440 780.0 0.141 0.089 0.167 -0.000 0.034 -0.000 3/19440 790.0 0.139 0.088 0.164 -0.000 0.034 -0.000 3/19440 800.0 0.137 0.087 0.162 -0.000 0.033 -0.000 3/19440 810.0 0.136 0.086 0.160 -0.000 0.033 -0.000 3/19440 820.0 0.134 0.085 0.158 -0.000 0.033 -0.000 3/19440 830.0 0.132 0.084 0.157 -0.000 0.032 -0.000 3/19440 840.0 0.131 0.083 0.155 -0.000 0.032 -0.000 3/19440 850.0 0.129 0.082 0.153 -0.000 0.032 -0.000 3/19440 860.0 0.128 0.081 0.151 -0.000 0.031 -0.000 3/19440 870.0 0.126 0.080 0.149 -0.000 0.031 -0.000 3/19440 880.0 0.125 0.079 0.148 -0.000 0.030 -0.000 3/19440 890.0 0.123 0.078 0.146 -0.000 0.030 -0.000 3/19440 900.0 0.122 0.077 0.144 -0.000 0.030 -0.000 3/19440 910.0 0.121 0.076 0.143 -0.000 0.029 -0.000 3/19440 920.0 0.119 0.076 0.141 -0.000 0.029 -0.000 3/19440 930.0 0.118 0.075 0.140 -0.000 0.029 -0.000 3/19440 940.0 0.117 0.074 0.138 -0.000 0.028 -0.000 3/19440 950.0 0.116 0.073 0.137 -0.000 0.028 -0.000 3/19440 960.0 0.114 0.072 0.135 -0.000 0.028 -0.000 3/19440 970.0 0.113 0.072 0.134 -0.000 0.028 -0.000 3/19440 980.0 0.112 0.071 0.133 -0.000 0.027 -0.000 3/19440 990.0 0.111 0.070 0.131 -0.000 0.027 -0.000 3/19440 1000.0 0.110 0.070 0.130 -0.000 0.027 -0.000 3/19440 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:11:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|