----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:04:33]------------------------- 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: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.757525030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.733174759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.992044730000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.05553046658243 0.75000000000000 6.941 2 Li 0.00000000000000 0.44446953341757 0.25000000000000 6.941 3 Li 0.50000000000000 0.94446953341757 0.25000000000000 6.941 4 Li 0.00000000000000 0.55553046658243 0.75000000000000 6.941 *5 F 0.73593759938013 0.05618491810189 0.43177928476578 18.998 *6 F 0.27305732103110 0.80874332434181 0.08424518073501 18.998 7 F 0.77305732103110 0.69125667565819 0.91575481926499 18.998 8 F 0.22694267896890 0.69125667565819 0.58424518073501 18.998 9 F 0.23593759938013 0.44381508189811 0.56822071523422 18.998 10 F 0.76406240061987 0.55618491810189 0.43177928476578 18.998 11 F 0.26406240061987 0.05618491810189 0.06822071523422 18.998 12 F 0.76406240061987 0.44381508189811 0.93177928476578 18.998 13 F 0.73593759938013 0.94381508189811 0.93177928476578 18.998 14 F 0.26406240061987 0.94381508189811 0.56822071523422 18.998 15 F 0.72694267896890 0.19125667565819 0.91575481926499 18.998 16 F 0.23593759938013 0.55618491810189 0.06822071523422 18.998 17 F 0.27305732103110 0.19125667565819 0.58424518073501 18.998 18 F 0.77305732103110 0.30874332434181 0.41575481926499 18.998 19 F 0.22694267896890 0.30874332434181 0.08424518073501 18.998 20 F 0.72694267896890 0.80874332434181 0.41575481926499 18.998 *21 In 0.50000000000000 0.33193147802097 0.75000000000000 114.818 22 In 0.00000000000000 0.83193147802097 0.75000000000000 114.818 23 In 0.50000000000000 0.66806852197903 0.25000000000000 114.818 24 In 0.00000000000000 0.16806852197903 0.25000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.757525030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.733174759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.992044730000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.05553046658243 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.44446953341757 0.25000000000000 6.941 > 2 3 Li 0.50000000000000 0.94446953341757 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.55553046658243 0.75000000000000 6.941 > 4 *5 F 0.73593759938013 0.05618491810189 0.43177928476578 18.998 > 5 *6 F 0.27305732103110 0.80874332434181 0.08424518073501 18.998 > 6 7 F 0.77305732103110 0.69125667565819 0.91575481926499 18.998 > 7 8 F 0.22694267896890 0.69125667565819 0.58424518073501 18.998 > 8 9 F 0.23593759938013 0.44381508189811 0.56822071523422 18.998 > 9 10 F 0.76406240061987 0.55618491810189 0.43177928476578 18.998 > 10 11 F 0.26406240061987 0.05618491810189 0.06822071523422 18.998 > 11 12 F 0.76406240061987 0.44381508189811 0.93177928476578 18.998 > 12 13 F 0.73593759938013 0.94381508189811 0.93177928476578 18.998 > 13 14 F 0.26406240061987 0.94381508189811 0.56822071523422 18.998 > 14 15 F 0.72694267896890 0.19125667565819 0.91575481926499 18.998 > 15 16 F 0.23593759938013 0.55618491810189 0.06822071523422 18.998 > 16 17 F 0.27305732103110 0.19125667565819 0.58424518073501 18.998 > 17 18 F 0.77305732103110 0.30874332434181 0.41575481926499 18.998 > 18 19 F 0.22694267896890 0.30874332434181 0.08424518073501 18.998 > 19 20 F 0.72694267896890 0.80874332434181 0.41575481926499 18.998 > 20 *21 In 0.50000000000000 0.33193147802097 0.75000000000000 114.818 > 21 22 In 0.00000000000000 0.83193147802097 0.75000000000000 114.818 > 22 23 In 0.50000000000000 0.66806852197903 0.25000000000000 114.818 > 23 24 In 0.00000000000000 0.16806852197903 0.25000000000000 114.818 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.272575090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.733174759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.984089460000000 Atomic positions (fractional): *1 Li 0.16666666666667 0.05553046658243 0.37500000000000 6.941 > 1 2 Li 0.50000000000000 0.05553046658243 0.37500000000000 6.941 > 1 3 Li 0.83333333333333 0.05553046658243 0.37500000000000 6.941 > 1 4 Li 0.16666666666667 0.05553046658243 0.87500000000000 6.941 > 1 5 Li 0.50000000000000 0.05553046658243 0.87500000000000 6.941 > 1 6 Li 0.83333333333333 0.05553046658243 0.87500000000000 6.941 > 1 7 Li 0.00000000000000 0.44446953341757 0.12500000000000 6.941 > 2 8 Li 0.33333333333333 0.44446953341757 0.12500000000000 6.941 > 2 9 Li 0.66666666666667 0.44446953341757 0.12500000000000 6.941 > 2 10 Li 0.00000000000000 0.44446953341757 0.62500000000000 6.941 > 2 11 Li 0.33333333333333 0.44446953341757 0.62500000000000 6.941 > 2 12 Li 0.66666666666667 0.44446953341757 0.62500000000000 6.941 > 2 13 Li 0.16666666666667 0.94446953341757 0.12500000000000 6.941 > 3 14 Li 0.50000000000000 0.94446953341757 0.12500000000000 6.941 > 3 15 Li 0.83333333333333 0.94446953341757 0.12500000000000 6.941 > 3 16 Li 0.16666666666667 0.94446953341757 0.62500000000000 6.941 > 3 17 Li 0.50000000000000 0.94446953341757 0.62500000000000 6.941 > 3 18 Li 0.83333333333333 0.94446953341757 0.62500000000000 6.941 > 3 19 Li 0.00000000000000 0.55553046658243 0.37500000000000 6.941 > 4 20 Li 0.33333333333333 0.55553046658243 0.37500000000000 6.941 > 4 21 Li 0.66666666666667 0.55553046658243 0.37500000000000 6.941 > 4 22 Li 0.00000000000000 0.55553046658243 0.87500000000000 6.941 > 4 23 Li 0.33333333333333 0.55553046658243 0.87500000000000 6.941 > 4 24 Li 0.66666666666667 0.55553046658243 0.87500000000000 6.941 > 4 *25 F 0.24531253312671 0.05618491810189 0.21588964238289 18.998 > 5 26 F 0.57864586646004 0.05618491810189 0.21588964238289 18.998 > 5 27 F 0.91197919979338 0.05618491810189 0.21588964238289 18.998 > 5 28 F 0.24531253312671 0.05618491810189 0.71588964238289 18.998 > 5 29 F 0.57864586646004 0.05618491810189 0.71588964238289 18.998 > 5 30 F 0.91197919979338 0.05618491810189 0.71588964238289 18.998 > 5 *31 F 0.09101910701037 0.80874332434181 0.04212259036750 18.998 > 6 32 F 0.42435244034370 0.80874332434181 0.04212259036750 18.998 > 6 33 F 0.75768577367703 0.80874332434181 0.04212259036750 18.998 > 6 34 F 0.09101910701037 0.80874332434181 0.54212259036750 18.998 > 6 35 F 0.42435244034370 0.80874332434181 0.54212259036750 18.998 > 6 36 F 0.75768577367703 0.80874332434181 0.54212259036750 18.998 > 6 37 F 0.25768577367703 0.69125667565819 0.45787740963250 18.998 > 7 38 F 0.59101910701037 0.69125667565819 0.45787740963250 18.998 > 7 39 F 0.92435244034370 0.69125667565819 0.45787740963250 18.998 > 7 40 F 0.25768577367703 0.69125667565819 0.95787740963250 18.998 > 7 41 F 0.59101910701037 0.69125667565819 0.95787740963250 18.998 > 7 42 F 0.92435244034370 0.69125667565819 0.95787740963250 18.998 > 7 43 F 0.07564755965630 0.69125667565819 0.29212259036750 18.998 > 8 44 F 0.40898089298963 0.69125667565819 0.29212259036750 18.998 > 8 45 F 0.74231422632297 0.69125667565819 0.29212259036750 18.998 > 8 46 F 0.07564755965630 0.69125667565819 0.79212259036750 18.998 > 8 47 F 0.40898089298963 0.69125667565819 0.79212259036750 18.998 > 8 48 F 0.74231422632297 0.69125667565819 0.79212259036750 18.998 > 8 49 F 0.07864586646004 0.44381508189811 0.28411035761711 18.998 > 9 50 F 0.41197919979338 0.44381508189811 0.28411035761711 18.998 > 9 51 F 0.74531253312671 0.44381508189811 0.28411035761711 18.998 > 9 52 F 0.07864586646004 0.44381508189811 0.78411035761711 18.998 > 9 53 F 0.41197919979338 0.44381508189811 0.78411035761711 18.998 > 9 54 F 0.74531253312671 0.44381508189811 0.78411035761711 18.998 > 9 55 F 0.25468746687329 0.55618491810189 0.21588964238289 18.998 > 10 56 F 0.58802080020662 0.55618491810189 0.21588964238289 18.998 > 10 57 F 0.92135413353996 0.55618491810189 0.21588964238289 18.998 > 10 58 F 0.25468746687329 0.55618491810189 0.71588964238289 18.998 > 10 59 F 0.58802080020662 0.55618491810189 0.71588964238289 18.998 > 10 60 F 0.92135413353996 0.55618491810189 0.71588964238289 18.998 > 10 61 F 0.08802080020662 0.05618491810189 0.03411035761711 18.998 > 11 62 F 0.42135413353996 0.05618491810189 0.03411035761711 18.998 > 11 63 F 0.75468746687329 0.05618491810189 0.03411035761711 18.998 > 11 64 F 0.08802080020662 0.05618491810189 0.53411035761711 18.998 > 11 65 F 0.42135413353996 0.05618491810189 0.53411035761711 18.998 > 11 66 F 0.75468746687329 0.05618491810189 0.53411035761711 18.998 > 11 67 F 0.25468746687329 0.44381508189811 0.46588964238289 18.998 > 12 68 F 0.58802080020662 0.44381508189811 0.46588964238289 18.998 > 12 69 F 0.92135413353996 0.44381508189811 0.46588964238289 18.998 > 12 70 F 0.25468746687329 0.44381508189811 0.96588964238289 18.998 > 12 71 F 0.58802080020662 0.44381508189811 0.96588964238289 18.998 > 12 72 F 0.92135413353996 0.44381508189811 0.96588964238289 18.998 > 12 73 F 0.24531253312671 0.94381508189811 0.46588964238289 18.998 > 13 74 F 0.57864586646004 0.94381508189811 0.46588964238289 18.998 > 13 75 F 0.91197919979338 0.94381508189811 0.46588964238289 18.998 > 13 76 F 0.24531253312671 0.94381508189811 0.96588964238289 18.998 > 13 77 F 0.57864586646004 0.94381508189811 0.96588964238289 18.998 > 13 78 F 0.91197919979338 0.94381508189811 0.96588964238289 18.998 > 13 79 F 0.08802080020662 0.94381508189811 0.28411035761711 18.998 > 14 80 F 0.42135413353996 0.94381508189811 0.28411035761711 18.998 > 14 81 F 0.75468746687329 0.94381508189811 0.28411035761711 18.998 > 14 82 F 0.08802080020662 0.94381508189811 0.78411035761711 18.998 > 14 83 F 0.42135413353996 0.94381508189811 0.78411035761711 18.998 > 14 84 F 0.75468746687329 0.94381508189811 0.78411035761711 18.998 > 14 85 F 0.24231422632297 0.19125667565819 0.45787740963250 18.998 > 15 86 F 0.57564755965630 0.19125667565819 0.45787740963250 18.998 > 15 87 F 0.90898089298963 0.19125667565819 0.45787740963250 18.998 > 15 88 F 0.24231422632297 0.19125667565819 0.95787740963250 18.998 > 15 89 F 0.57564755965630 0.19125667565819 0.95787740963250 18.998 > 15 90 F 0.90898089298963 0.19125667565819 0.95787740963250 18.998 > 15 91 F 0.07864586646004 0.55618491810189 0.03411035761711 18.998 > 16 92 F 0.41197919979338 0.55618491810189 0.03411035761711 18.998 > 16 93 F 0.74531253312671 0.55618491810189 0.03411035761711 18.998 > 16 94 F 0.07864586646004 0.55618491810189 0.53411035761711 18.998 > 16 95 F 0.41197919979338 0.55618491810189 0.53411035761711 18.998 > 16 96 F 0.74531253312671 0.55618491810189 0.53411035761711 18.998 > 16 97 F 0.09101910701037 0.19125667565819 0.29212259036750 18.998 > 17 98 F 0.42435244034370 0.19125667565819 0.29212259036750 18.998 > 17 99 F 0.75768577367703 0.19125667565819 0.29212259036750 18.998 > 17 100 F 0.09101910701037 0.19125667565819 0.79212259036750 18.998 > 17 101 F 0.42435244034370 0.19125667565819 0.79212259036750 18.998 > 17 102 F 0.75768577367703 0.19125667565819 0.79212259036750 18.998 > 17 103 F 0.25768577367703 0.30874332434181 0.20787740963250 18.998 > 18 104 F 0.59101910701037 0.30874332434181 0.20787740963250 18.998 > 18 105 F 0.92435244034370 0.30874332434181 0.20787740963250 18.998 > 18 106 F 0.25768577367703 0.30874332434181 0.70787740963250 18.998 > 18 107 F 0.59101910701037 0.30874332434181 0.70787740963250 18.998 > 18 108 F 0.92435244034370 0.30874332434181 0.70787740963250 18.998 > 18 109 F 0.07564755965630 0.30874332434181 0.04212259036750 18.998 > 19 110 F 0.40898089298963 0.30874332434181 0.04212259036750 18.998 > 19 111 F 0.74231422632297 0.30874332434181 0.04212259036750 18.998 > 19 112 F 0.07564755965630 0.30874332434181 0.54212259036750 18.998 > 19 113 F 0.40898089298963 0.30874332434181 0.54212259036750 18.998 > 19 114 F 0.74231422632297 0.30874332434181 0.54212259036750 18.998 > 19 115 F 0.24231422632297 0.80874332434181 0.20787740963250 18.998 > 20 116 F 0.57564755965630 0.80874332434181 0.20787740963250 18.998 > 20 117 F 0.90898089298963 0.80874332434181 0.20787740963250 18.998 > 20 118 F 0.24231422632297 0.80874332434181 0.70787740963250 18.998 > 20 119 F 0.57564755965630 0.80874332434181 0.70787740963250 18.998 > 20 120 F 0.90898089298963 0.80874332434181 0.70787740963250 18.998 > 20 *121 In 0.16666666666667 0.33193147802097 0.37500000000000 114.818 > 21 122 In 0.50000000000000 0.33193147802097 0.37500000000000 114.818 > 21 123 In 0.83333333333333 0.33193147802097 0.37500000000000 114.818 > 21 124 In 0.16666666666667 0.33193147802097 0.87500000000000 114.818 > 21 125 In 0.50000000000000 0.33193147802097 0.87500000000000 114.818 > 21 126 In 0.83333333333333 0.33193147802097 0.87500000000000 114.818 > 21 127 In 0.00000000000000 0.83193147802097 0.37500000000000 114.818 > 22 128 In 0.33333333333333 0.83193147802097 0.37500000000000 114.818 > 22 129 In 0.66666666666667 0.83193147802097 0.37500000000000 114.818 > 22 130 In 0.00000000000000 0.83193147802097 0.87500000000000 114.818 > 22 131 In 0.33333333333333 0.83193147802097 0.87500000000000 114.818 > 22 132 In 0.66666666666667 0.83193147802097 0.87500000000000 114.818 > 22 133 In 0.16666666666667 0.66806852197903 0.12500000000000 114.818 > 23 134 In 0.50000000000000 0.66806852197903 0.12500000000000 114.818 > 23 135 In 0.83333333333333 0.66806852197903 0.12500000000000 114.818 > 23 136 In 0.16666666666667 0.66806852197903 0.62500000000000 114.818 > 23 137 In 0.50000000000000 0.66806852197903 0.62500000000000 114.818 > 23 138 In 0.83333333333333 0.66806852197903 0.62500000000000 114.818 > 23 139 In 0.00000000000000 0.16806852197903 0.12500000000000 114.818 > 24 140 In 0.33333333333333 0.16806852197903 0.12500000000000 114.818 > 24 141 In 0.66666666666667 0.16806852197903 0.12500000000000 114.818 > 24 142 In 0.00000000000000 0.16806852197903 0.62500000000000 114.818 > 24 143 In 0.33333333333333 0.16806852197903 0.62500000000000 114.818 > 24 144 In 0.66666666666667 0.16806852197903 0.62500000000000 114.818 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4199377 0.0000000 0.0000000 0.0000000 2.4156117 0.0000000 0.0000000 0.0000000 2.4001455 -------------------------- Born effective charges -------------------------- 1 Li 1.1205979 0.0000000 -0.0329345 -0.0000000 1.1669757 0.0000000 -0.0622824 0.0000000 1.0969150 2 Li 1.1205979 0.0000000 0.0329345 -0.0000000 1.1669757 0.0000000 0.0622824 0.0000000 1.0969150 3 Li 1.1205979 0.0000000 -0.0329345 -0.0000000 1.1669757 0.0000000 -0.0622824 0.0000000 1.0969150 4 Li 1.1205979 0.0000000 0.0329345 -0.0000000 1.1669757 0.0000000 0.0622824 0.0000000 1.0969150 5 F -1.0419679 -0.2263639 0.1530724 -0.2693113 -1.1132667 0.1318247 0.1703889 0.1095416 -0.9604679 6 F -1.1180913 0.2278329 -0.4035455 0.1814548 -1.0108442 0.1933579 -0.4218650 0.2220640 -1.1883194 7 F -1.1180913 -0.2278329 0.4035455 -0.1814548 -1.0108442 0.1933579 0.4218650 0.2220640 -1.1883194 8 F -1.1180913 0.2278329 0.4035455 0.1814548 -1.0108442 -0.1933579 0.4218650 -0.2220640 -1.1883194 9 F -1.0419679 0.2263639 -0.1530724 0.2693113 -1.1132667 0.1318247 -0.1703889 0.1095416 -0.9604679 10 F -1.0419679 0.2263639 -0.1530724 0.2693113 -1.1132667 0.1318247 -0.1703889 0.1095416 -0.9604679 11 F -1.0419679 0.2263639 0.1530724 0.2693113 -1.1132667 -0.1318247 0.1703889 -0.1095416 -0.9604679 12 F -1.0419679 -0.2263639 -0.1530724 -0.2693113 -1.1132667 -0.1318247 -0.1703889 -0.1095416 -0.9604679 13 F -1.0419679 0.2263639 0.1530724 0.2693113 -1.1132667 -0.1318247 0.1703889 -0.1095416 -0.9604679 14 F -1.0419679 -0.2263639 0.1530724 -0.2693113 -1.1132667 0.1318247 0.1703889 0.1095416 -0.9604679 15 F -1.1180913 0.2278329 -0.4035455 0.1814548 -1.0108442 0.1933579 -0.4218650 0.2220640 -1.1883194 16 F -1.0419679 -0.2263639 -0.1530724 -0.2693113 -1.1132667 -0.1318247 -0.1703889 -0.1095416 -0.9604679 17 F -1.1180913 -0.2278329 -0.4035455 -0.1814548 -1.0108442 -0.1933579 -0.4218650 -0.2220640 -1.1883194 18 F -1.1180913 0.2278329 0.4035455 0.1814548 -1.0108442 -0.1933579 0.4218650 -0.2220640 -1.1883194 19 F -1.1180913 -0.2278329 0.4035455 -0.1814548 -1.0108442 0.1933579 0.4218650 0.2220640 -1.1883194 20 F -1.1180913 -0.2278329 -0.4035455 -0.1814548 -1.0108442 -0.1933579 -0.4218650 -0.2220640 -1.1883194 21 In 3.1995205 0.0000000 -0.0939790 -0.0000000 3.0812463 0.0000000 -0.0057129 0.0000000 3.2006596 22 In 3.1995205 0.0000000 0.0939790 -0.0000000 3.0812463 0.0000000 0.0057129 0.0000000 3.2006596 23 In 3.1995205 0.0000000 -0.0939790 -0.0000000 3.0812463 0.0000000 -0.0057129 0.0000000 3.2006596 24 In 3.1995205 0.0000000 0.0939790 -0.0000000 3.0812463 0.0000000 0.0057129 0.0000000 3.2006596 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2056 Number of blocks in projector: 2056 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (2056, 2028), data: False |-- (256, 252), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.934 Solver_block: 200 / 400 - Time: 0.787 Solver_block: 300 / 400 - Time: 0.777 Solver_block: 400 / 400 - Time: 0.790 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.364 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2056 Number of blocks in projector: 2056 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (2056, 2028), data: False |-- (256, 252), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), 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 23:04:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:04:58]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.757525030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.733174759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.992044730000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.05553046658243 0.75000000000000 6.941 2 Li 0.00000000000000 0.44446953341757 0.25000000000000 6.941 3 Li 0.50000000000000 0.94446953341757 0.25000000000000 6.941 4 Li 0.00000000000000 0.55553046658243 0.75000000000000 6.941 5 F 0.73593759938013 0.05618491810189 0.43177928476578 18.998 6 F 0.27305732103110 0.80874332434181 0.08424518073501 18.998 7 F 0.77305732103110 0.69125667565819 0.91575481926499 18.998 8 F 0.22694267896890 0.69125667565819 0.58424518073501 18.998 9 F 0.23593759938013 0.44381508189811 0.56822071523422 18.998 10 F 0.76406240061987 0.55618491810189 0.43177928476578 18.998 11 F 0.26406240061987 0.05618491810189 0.06822071523422 18.998 12 F 0.76406240061987 0.44381508189811 0.93177928476578 18.998 13 F 0.73593759938013 0.94381508189811 0.93177928476578 18.998 14 F 0.26406240061987 0.94381508189811 0.56822071523422 18.998 15 F 0.72694267896890 0.19125667565819 0.91575481926499 18.998 16 F 0.23593759938013 0.55618491810189 0.06822071523422 18.998 17 F 0.27305732103110 0.19125667565819 0.58424518073501 18.998 18 F 0.77305732103110 0.30874332434181 0.41575481926499 18.998 19 F 0.22694267896890 0.30874332434181 0.08424518073501 18.998 20 F 0.72694267896890 0.80874332434181 0.41575481926499 18.998 21 In 0.50000000000000 0.33193147802097 0.75000000000000 114.818 22 In 0.00000000000000 0.83193147802097 0.75000000000000 114.818 23 In 0.50000000000000 0.66806852197903 0.25000000000000 114.818 24 In 0.00000000000000 0.16806852197903 0.25000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.272575090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.733174759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.984089460000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.05553046658243 0.37500000000000 6.941 > 1 2 Li 0.50000000000000 0.05553046658243 0.37500000000000 6.941 > 1 3 Li 0.83333333333333 0.05553046658243 0.37500000000000 6.941 > 1 4 Li 0.16666666666667 0.05553046658243 0.87500000000000 6.941 > 1 5 Li 0.50000000000000 0.05553046658243 0.87500000000000 6.941 > 1 6 Li 0.83333333333333 0.05553046658243 0.87500000000000 6.941 > 1 7 Li 0.00000000000000 0.44446953341757 0.12500000000000 6.941 > 7 8 Li 0.33333333333333 0.44446953341757 0.12500000000000 6.941 > 7 9 Li 0.66666666666667 0.44446953341757 0.12500000000000 6.941 > 7 10 Li 0.00000000000000 0.44446953341757 0.62500000000000 6.941 > 7 11 Li 0.33333333333333 0.44446953341757 0.62500000000000 6.941 > 7 12 Li 0.66666666666667 0.44446953341757 0.62500000000000 6.941 > 7 13 Li 0.16666666666667 0.94446953341757 0.12500000000000 6.941 > 13 14 Li 0.50000000000000 0.94446953341757 0.12500000000000 6.941 > 13 15 Li 0.83333333333333 0.94446953341757 0.12500000000000 6.941 > 13 16 Li 0.16666666666667 0.94446953341757 0.62500000000000 6.941 > 13 17 Li 0.50000000000000 0.94446953341757 0.62500000000000 6.941 > 13 18 Li 0.83333333333333 0.94446953341757 0.62500000000000 6.941 > 13 19 Li 0.00000000000000 0.55553046658243 0.37500000000000 6.941 > 19 20 Li 0.33333333333333 0.55553046658243 0.37500000000000 6.941 > 19 21 Li 0.66666666666667 0.55553046658243 0.37500000000000 6.941 > 19 22 Li 0.00000000000000 0.55553046658243 0.87500000000000 6.941 > 19 23 Li 0.33333333333333 0.55553046658243 0.87500000000000 6.941 > 19 24 Li 0.66666666666667 0.55553046658243 0.87500000000000 6.941 > 19 25 F 0.24531253312671 0.05618491810189 0.21588964238289 18.998 > 25 26 F 0.57864586646004 0.05618491810189 0.21588964238289 18.998 > 25 27 F 0.91197919979338 0.05618491810189 0.21588964238289 18.998 > 25 28 F 0.24531253312671 0.05618491810189 0.71588964238289 18.998 > 25 29 F 0.57864586646004 0.05618491810189 0.71588964238289 18.998 > 25 30 F 0.91197919979338 0.05618491810189 0.71588964238289 18.998 > 25 31 F 0.09101910701037 0.80874332434181 0.04212259036750 18.998 > 31 32 F 0.42435244034370 0.80874332434181 0.04212259036750 18.998 > 31 33 F 0.75768577367703 0.80874332434181 0.04212259036750 18.998 > 31 34 F 0.09101910701037 0.80874332434181 0.54212259036750 18.998 > 31 35 F 0.42435244034370 0.80874332434181 0.54212259036750 18.998 > 31 36 F 0.75768577367703 0.80874332434181 0.54212259036750 18.998 > 31 37 F 0.25768577367703 0.69125667565819 0.45787740963250 18.998 > 37 38 F 0.59101910701037 0.69125667565819 0.45787740963250 18.998 > 37 39 F 0.92435244034370 0.69125667565819 0.45787740963250 18.998 > 37 40 F 0.25768577367703 0.69125667565819 0.95787740963250 18.998 > 37 41 F 0.59101910701037 0.69125667565819 0.95787740963250 18.998 > 37 42 F 0.92435244034370 0.69125667565819 0.95787740963250 18.998 > 37 43 F 0.07564755965630 0.69125667565819 0.29212259036750 18.998 > 43 44 F 0.40898089298963 0.69125667565819 0.29212259036750 18.998 > 43 45 F 0.74231422632297 0.69125667565819 0.29212259036750 18.998 > 43 46 F 0.07564755965630 0.69125667565819 0.79212259036750 18.998 > 43 47 F 0.40898089298963 0.69125667565819 0.79212259036750 18.998 > 43 48 F 0.74231422632297 0.69125667565819 0.79212259036750 18.998 > 43 49 F 0.07864586646004 0.44381508189811 0.28411035761711 18.998 > 49 50 F 0.41197919979338 0.44381508189811 0.28411035761711 18.998 > 49 51 F 0.74531253312671 0.44381508189811 0.28411035761711 18.998 > 49 52 F 0.07864586646004 0.44381508189811 0.78411035761711 18.998 > 49 53 F 0.41197919979338 0.44381508189811 0.78411035761711 18.998 > 49 54 F 0.74531253312671 0.44381508189811 0.78411035761711 18.998 > 49 55 F 0.25468746687329 0.55618491810189 0.21588964238289 18.998 > 55 56 F 0.58802080020662 0.55618491810189 0.21588964238289 18.998 > 55 57 F 0.92135413353996 0.55618491810189 0.21588964238289 18.998 > 55 58 F 0.25468746687329 0.55618491810189 0.71588964238289 18.998 > 55 59 F 0.58802080020662 0.55618491810189 0.71588964238289 18.998 > 55 60 F 0.92135413353996 0.55618491810189 0.71588964238289 18.998 > 55 61 F 0.08802080020662 0.05618491810189 0.03411035761711 18.998 > 61 62 F 0.42135413353996 0.05618491810189 0.03411035761711 18.998 > 61 63 F 0.75468746687329 0.05618491810189 0.03411035761711 18.998 > 61 64 F 0.08802080020662 0.05618491810189 0.53411035761711 18.998 > 61 65 F 0.42135413353996 0.05618491810189 0.53411035761711 18.998 > 61 66 F 0.75468746687329 0.05618491810189 0.53411035761711 18.998 > 61 67 F 0.25468746687329 0.44381508189811 0.46588964238289 18.998 > 67 68 F 0.58802080020662 0.44381508189811 0.46588964238289 18.998 > 67 69 F 0.92135413353996 0.44381508189811 0.46588964238289 18.998 > 67 70 F 0.25468746687329 0.44381508189811 0.96588964238289 18.998 > 67 71 F 0.58802080020662 0.44381508189811 0.96588964238289 18.998 > 67 72 F 0.92135413353996 0.44381508189811 0.96588964238289 18.998 > 67 73 F 0.24531253312671 0.94381508189811 0.46588964238289 18.998 > 73 74 F 0.57864586646004 0.94381508189811 0.46588964238289 18.998 > 73 75 F 0.91197919979338 0.94381508189811 0.46588964238289 18.998 > 73 76 F 0.24531253312671 0.94381508189811 0.96588964238289 18.998 > 73 77 F 0.57864586646004 0.94381508189811 0.96588964238289 18.998 > 73 78 F 0.91197919979338 0.94381508189811 0.96588964238289 18.998 > 73 79 F 0.08802080020662 0.94381508189811 0.28411035761711 18.998 > 79 80 F 0.42135413353996 0.94381508189811 0.28411035761711 18.998 > 79 81 F 0.75468746687329 0.94381508189811 0.28411035761711 18.998 > 79 82 F 0.08802080020662 0.94381508189811 0.78411035761711 18.998 > 79 83 F 0.42135413353996 0.94381508189811 0.78411035761711 18.998 > 79 84 F 0.75468746687329 0.94381508189811 0.78411035761711 18.998 > 79 85 F 0.24231422632297 0.19125667565819 0.45787740963250 18.998 > 85 86 F 0.57564755965630 0.19125667565819 0.45787740963250 18.998 > 85 87 F 0.90898089298963 0.19125667565819 0.45787740963250 18.998 > 85 88 F 0.24231422632297 0.19125667565819 0.95787740963250 18.998 > 85 89 F 0.57564755965630 0.19125667565819 0.95787740963250 18.998 > 85 90 F 0.90898089298963 0.19125667565819 0.95787740963250 18.998 > 85 91 F 0.07864586646004 0.55618491810189 0.03411035761711 18.998 > 91 92 F 0.41197919979338 0.55618491810189 0.03411035761711 18.998 > 91 93 F 0.74531253312671 0.55618491810189 0.03411035761711 18.998 > 91 94 F 0.07864586646004 0.55618491810189 0.53411035761711 18.998 > 91 95 F 0.41197919979338 0.55618491810189 0.53411035761711 18.998 > 91 96 F 0.74531253312671 0.55618491810189 0.53411035761711 18.998 > 91 97 F 0.09101910701037 0.19125667565819 0.29212259036750 18.998 > 97 98 F 0.42435244034370 0.19125667565819 0.29212259036750 18.998 > 97 99 F 0.75768577367703 0.19125667565819 0.29212259036750 18.998 > 97 100 F 0.09101910701037 0.19125667565819 0.79212259036750 18.998 > 97 101 F 0.42435244034370 0.19125667565819 0.79212259036750 18.998 > 97 102 F 0.75768577367703 0.19125667565819 0.79212259036750 18.998 > 97 103 F 0.25768577367703 0.30874332434181 0.20787740963250 18.998 > 103 104 F 0.59101910701037 0.30874332434181 0.20787740963250 18.998 > 103 105 F 0.92435244034370 0.30874332434181 0.20787740963250 18.998 > 103 106 F 0.25768577367703 0.30874332434181 0.70787740963250 18.998 > 103 107 F 0.59101910701037 0.30874332434181 0.70787740963250 18.998 > 103 108 F 0.92435244034370 0.30874332434181 0.70787740963250 18.998 > 103 109 F 0.07564755965630 0.30874332434181 0.04212259036750 18.998 > 109 110 F 0.40898089298963 0.30874332434181 0.04212259036750 18.998 > 109 111 F 0.74231422632297 0.30874332434181 0.04212259036750 18.998 > 109 112 F 0.07564755965630 0.30874332434181 0.54212259036750 18.998 > 109 113 F 0.40898089298963 0.30874332434181 0.54212259036750 18.998 > 109 114 F 0.74231422632297 0.30874332434181 0.54212259036750 18.998 > 109 115 F 0.24231422632297 0.80874332434181 0.20787740963250 18.998 > 115 116 F 0.57564755965630 0.80874332434181 0.20787740963250 18.998 > 115 117 F 0.90898089298963 0.80874332434181 0.20787740963250 18.998 > 115 118 F 0.24231422632297 0.80874332434181 0.70787740963250 18.998 > 115 119 F 0.57564755965630 0.80874332434181 0.70787740963250 18.998 > 115 120 F 0.90898089298963 0.80874332434181 0.70787740963250 18.998 > 115 121 In 0.16666666666667 0.33193147802097 0.37500000000000 114.818 > 121 122 In 0.50000000000000 0.33193147802097 0.37500000000000 114.818 > 121 123 In 0.83333333333333 0.33193147802097 0.37500000000000 114.818 > 121 124 In 0.16666666666667 0.33193147802097 0.87500000000000 114.818 > 121 125 In 0.50000000000000 0.33193147802097 0.87500000000000 114.818 > 121 126 In 0.83333333333333 0.33193147802097 0.87500000000000 114.818 > 121 127 In 0.00000000000000 0.83193147802097 0.37500000000000 114.818 > 127 128 In 0.33333333333333 0.83193147802097 0.37500000000000 114.818 > 127 129 In 0.66666666666667 0.83193147802097 0.37500000000000 114.818 > 127 130 In 0.00000000000000 0.83193147802097 0.87500000000000 114.818 > 127 131 In 0.33333333333333 0.83193147802097 0.87500000000000 114.818 > 127 132 In 0.66666666666667 0.83193147802097 0.87500000000000 114.818 > 127 133 In 0.16666666666667 0.66806852197903 0.12500000000000 114.818 > 133 134 In 0.50000000000000 0.66806852197903 0.12500000000000 114.818 > 133 135 In 0.83333333333333 0.66806852197903 0.12500000000000 114.818 > 133 136 In 0.16666666666667 0.66806852197903 0.62500000000000 114.818 > 133 137 In 0.50000000000000 0.66806852197903 0.62500000000000 114.818 > 133 138 In 0.83333333333333 0.66806852197903 0.62500000000000 114.818 > 133 139 In 0.00000000000000 0.16806852197903 0.12500000000000 114.818 > 139 140 In 0.33333333333333 0.16806852197903 0.12500000000000 114.818 > 139 141 In 0.66666666666667 0.16806852197903 0.12500000000000 114.818 > 139 142 In 0.00000000000000 0.16806852197903 0.62500000000000 114.818 > 139 143 In 0.33333333333333 0.16806852197903 0.62500000000000 114.818 > 139 144 In 0.66666666666667 0.16806852197903 0.62500000000000 114.818 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4199377 0.0000000 0.0000000 0.0000000 2.4156117 0.0000000 0.0000000 0.0000000 2.4001455 -------------------------- Born effective charges -------------------------- 1 Li 1.1205979 0.0000000 -0.0329345 -0.0000000 1.1669757 0.0000000 -0.0622824 0.0000000 1.0969150 2 Li 1.1205979 0.0000000 0.0329345 -0.0000000 1.1669757 0.0000000 0.0622824 0.0000000 1.0969150 3 Li 1.1205979 0.0000000 -0.0329345 -0.0000000 1.1669757 0.0000000 -0.0622824 0.0000000 1.0969150 4 Li 1.1205979 0.0000000 0.0329345 -0.0000000 1.1669757 0.0000000 0.0622824 0.0000000 1.0969150 5 F -1.0419679 -0.2263639 0.1530724 -0.2693113 -1.1132667 0.1318247 0.1703889 0.1095416 -0.9604679 6 F -1.1180913 0.2278329 -0.4035455 0.1814548 -1.0108442 0.1933579 -0.4218650 0.2220640 -1.1883194 7 F -1.1180913 -0.2278329 0.4035455 -0.1814548 -1.0108442 0.1933579 0.4218650 0.2220640 -1.1883194 8 F -1.1180913 0.2278329 0.4035455 0.1814548 -1.0108442 -0.1933579 0.4218650 -0.2220640 -1.1883194 9 F -1.0419679 0.2263639 -0.1530724 0.2693113 -1.1132667 0.1318247 -0.1703889 0.1095416 -0.9604679 10 F -1.0419679 0.2263639 -0.1530724 0.2693113 -1.1132667 0.1318247 -0.1703889 0.1095416 -0.9604679 11 F -1.0419679 0.2263639 0.1530724 0.2693113 -1.1132667 -0.1318247 0.1703889 -0.1095416 -0.9604679 12 F -1.0419679 -0.2263639 -0.1530724 -0.2693113 -1.1132667 -0.1318247 -0.1703889 -0.1095416 -0.9604679 13 F -1.0419679 0.2263639 0.1530724 0.2693113 -1.1132667 -0.1318247 0.1703889 -0.1095416 -0.9604679 14 F -1.0419679 -0.2263639 0.1530724 -0.2693113 -1.1132667 0.1318247 0.1703889 0.1095416 -0.9604679 15 F -1.1180913 0.2278329 -0.4035455 0.1814548 -1.0108442 0.1933579 -0.4218650 0.2220640 -1.1883194 16 F -1.0419679 -0.2263639 -0.1530724 -0.2693113 -1.1132667 -0.1318247 -0.1703889 -0.1095416 -0.9604679 17 F -1.1180913 -0.2278329 -0.4035455 -0.1814548 -1.0108442 -0.1933579 -0.4218650 -0.2220640 -1.1883194 18 F -1.1180913 0.2278329 0.4035455 0.1814548 -1.0108442 -0.1933579 0.4218650 -0.2220640 -1.1883194 19 F -1.1180913 -0.2278329 0.4035455 -0.1814548 -1.0108442 0.1933579 0.4218650 0.2220640 -1.1883194 20 F -1.1180913 -0.2278329 -0.4035455 -0.1814548 -1.0108442 -0.1933579 -0.4218650 -0.2220640 -1.1883194 21 In 3.1995205 0.0000000 -0.0939790 -0.0000000 3.0812463 0.0000000 -0.0057129 0.0000000 3.2006596 22 In 3.1995205 0.0000000 0.0939790 -0.0000000 3.0812463 0.0000000 0.0057129 0.0000000 3.2006596 23 In 3.1995205 0.0000000 -0.0939790 -0.0000000 3.0812463 0.0000000 -0.0057129 0.0000000 3.2006596 24 In 3.1995205 0.0000000 0.0939790 -0.0000000 3.0812463 0.0000000 0.0057129 0.0000000 3.2006596 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 23:05:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:05:27]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.757525030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.733174759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.992044730000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.05553046658243 0.75000000000000 6.941 2 Li 0.00000000000000 0.44446953341757 0.25000000000000 6.941 3 Li 0.50000000000000 0.94446953341757 0.25000000000000 6.941 4 Li 0.00000000000000 0.55553046658243 0.75000000000000 6.941 5 F 0.73593759938013 0.05618491810189 0.43177928476578 18.998 6 F 0.27305732103110 0.80874332434181 0.08424518073501 18.998 7 F 0.77305732103110 0.69125667565819 0.91575481926499 18.998 8 F 0.22694267896890 0.69125667565819 0.58424518073501 18.998 9 F 0.23593759938013 0.44381508189811 0.56822071523422 18.998 10 F 0.76406240061987 0.55618491810189 0.43177928476578 18.998 11 F 0.26406240061987 0.05618491810189 0.06822071523422 18.998 12 F 0.76406240061987 0.44381508189811 0.93177928476578 18.998 13 F 0.73593759938013 0.94381508189811 0.93177928476578 18.998 14 F 0.26406240061987 0.94381508189811 0.56822071523422 18.998 15 F 0.72694267896890 0.19125667565819 0.91575481926499 18.998 16 F 0.23593759938013 0.55618491810189 0.06822071523422 18.998 17 F 0.27305732103110 0.19125667565819 0.58424518073501 18.998 18 F 0.77305732103110 0.30874332434181 0.41575481926499 18.998 19 F 0.22694267896890 0.30874332434181 0.08424518073501 18.998 20 F 0.72694267896890 0.80874332434181 0.41575481926499 18.998 21 In 0.50000000000000 0.33193147802097 0.75000000000000 114.818 22 In 0.00000000000000 0.83193147802097 0.75000000000000 114.818 23 In 0.50000000000000 0.66806852197903 0.25000000000000 114.818 24 In 0.00000000000000 0.16806852197903 0.25000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.272575090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.733174759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.984089460000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.05553046658243 0.37500000000000 6.941 > 1 2 Li 0.50000000000000 0.05553046658243 0.37500000000000 6.941 > 1 3 Li 0.83333333333333 0.05553046658243 0.37500000000000 6.941 > 1 4 Li 0.16666666666667 0.05553046658243 0.87500000000000 6.941 > 1 5 Li 0.50000000000000 0.05553046658243 0.87500000000000 6.941 > 1 6 Li 0.83333333333333 0.05553046658243 0.87500000000000 6.941 > 1 7 Li 0.00000000000000 0.44446953341757 0.12500000000000 6.941 > 7 8 Li 0.33333333333333 0.44446953341757 0.12500000000000 6.941 > 7 9 Li 0.66666666666667 0.44446953341757 0.12500000000000 6.941 > 7 10 Li 0.00000000000000 0.44446953341757 0.62500000000000 6.941 > 7 11 Li 0.33333333333333 0.44446953341757 0.62500000000000 6.941 > 7 12 Li 0.66666666666667 0.44446953341757 0.62500000000000 6.941 > 7 13 Li 0.16666666666667 0.94446953341757 0.12500000000000 6.941 > 13 14 Li 0.50000000000000 0.94446953341757 0.12500000000000 6.941 > 13 15 Li 0.83333333333333 0.94446953341757 0.12500000000000 6.941 > 13 16 Li 0.16666666666667 0.94446953341757 0.62500000000000 6.941 > 13 17 Li 0.50000000000000 0.94446953341757 0.62500000000000 6.941 > 13 18 Li 0.83333333333333 0.94446953341757 0.62500000000000 6.941 > 13 19 Li 0.00000000000000 0.55553046658243 0.37500000000000 6.941 > 19 20 Li 0.33333333333333 0.55553046658243 0.37500000000000 6.941 > 19 21 Li 0.66666666666667 0.55553046658243 0.37500000000000 6.941 > 19 22 Li 0.00000000000000 0.55553046658243 0.87500000000000 6.941 > 19 23 Li 0.33333333333333 0.55553046658243 0.87500000000000 6.941 > 19 24 Li 0.66666666666667 0.55553046658243 0.87500000000000 6.941 > 19 25 F 0.24531253312671 0.05618491810189 0.21588964238289 18.998 > 25 26 F 0.57864586646004 0.05618491810189 0.21588964238289 18.998 > 25 27 F 0.91197919979338 0.05618491810189 0.21588964238289 18.998 > 25 28 F 0.24531253312671 0.05618491810189 0.71588964238289 18.998 > 25 29 F 0.57864586646004 0.05618491810189 0.71588964238289 18.998 > 25 30 F 0.91197919979338 0.05618491810189 0.71588964238289 18.998 > 25 31 F 0.09101910701037 0.80874332434181 0.04212259036750 18.998 > 31 32 F 0.42435244034370 0.80874332434181 0.04212259036750 18.998 > 31 33 F 0.75768577367703 0.80874332434181 0.04212259036750 18.998 > 31 34 F 0.09101910701037 0.80874332434181 0.54212259036750 18.998 > 31 35 F 0.42435244034370 0.80874332434181 0.54212259036750 18.998 > 31 36 F 0.75768577367703 0.80874332434181 0.54212259036750 18.998 > 31 37 F 0.25768577367703 0.69125667565819 0.45787740963250 18.998 > 37 38 F 0.59101910701037 0.69125667565819 0.45787740963250 18.998 > 37 39 F 0.92435244034370 0.69125667565819 0.45787740963250 18.998 > 37 40 F 0.25768577367703 0.69125667565819 0.95787740963250 18.998 > 37 41 F 0.59101910701037 0.69125667565819 0.95787740963250 18.998 > 37 42 F 0.92435244034370 0.69125667565819 0.95787740963250 18.998 > 37 43 F 0.07564755965630 0.69125667565819 0.29212259036750 18.998 > 43 44 F 0.40898089298963 0.69125667565819 0.29212259036750 18.998 > 43 45 F 0.74231422632297 0.69125667565819 0.29212259036750 18.998 > 43 46 F 0.07564755965630 0.69125667565819 0.79212259036750 18.998 > 43 47 F 0.40898089298963 0.69125667565819 0.79212259036750 18.998 > 43 48 F 0.74231422632297 0.69125667565819 0.79212259036750 18.998 > 43 49 F 0.07864586646004 0.44381508189811 0.28411035761711 18.998 > 49 50 F 0.41197919979338 0.44381508189811 0.28411035761711 18.998 > 49 51 F 0.74531253312671 0.44381508189811 0.28411035761711 18.998 > 49 52 F 0.07864586646004 0.44381508189811 0.78411035761711 18.998 > 49 53 F 0.41197919979338 0.44381508189811 0.78411035761711 18.998 > 49 54 F 0.74531253312671 0.44381508189811 0.78411035761711 18.998 > 49 55 F 0.25468746687329 0.55618491810189 0.21588964238289 18.998 > 55 56 F 0.58802080020662 0.55618491810189 0.21588964238289 18.998 > 55 57 F 0.92135413353996 0.55618491810189 0.21588964238289 18.998 > 55 58 F 0.25468746687329 0.55618491810189 0.71588964238289 18.998 > 55 59 F 0.58802080020662 0.55618491810189 0.71588964238289 18.998 > 55 60 F 0.92135413353996 0.55618491810189 0.71588964238289 18.998 > 55 61 F 0.08802080020662 0.05618491810189 0.03411035761711 18.998 > 61 62 F 0.42135413353996 0.05618491810189 0.03411035761711 18.998 > 61 63 F 0.75468746687329 0.05618491810189 0.03411035761711 18.998 > 61 64 F 0.08802080020662 0.05618491810189 0.53411035761711 18.998 > 61 65 F 0.42135413353996 0.05618491810189 0.53411035761711 18.998 > 61 66 F 0.75468746687329 0.05618491810189 0.53411035761711 18.998 > 61 67 F 0.25468746687329 0.44381508189811 0.46588964238289 18.998 > 67 68 F 0.58802080020662 0.44381508189811 0.46588964238289 18.998 > 67 69 F 0.92135413353996 0.44381508189811 0.46588964238289 18.998 > 67 70 F 0.25468746687329 0.44381508189811 0.96588964238289 18.998 > 67 71 F 0.58802080020662 0.44381508189811 0.96588964238289 18.998 > 67 72 F 0.92135413353996 0.44381508189811 0.96588964238289 18.998 > 67 73 F 0.24531253312671 0.94381508189811 0.46588964238289 18.998 > 73 74 F 0.57864586646004 0.94381508189811 0.46588964238289 18.998 > 73 75 F 0.91197919979338 0.94381508189811 0.46588964238289 18.998 > 73 76 F 0.24531253312671 0.94381508189811 0.96588964238289 18.998 > 73 77 F 0.57864586646004 0.94381508189811 0.96588964238289 18.998 > 73 78 F 0.91197919979338 0.94381508189811 0.96588964238289 18.998 > 73 79 F 0.08802080020662 0.94381508189811 0.28411035761711 18.998 > 79 80 F 0.42135413353996 0.94381508189811 0.28411035761711 18.998 > 79 81 F 0.75468746687329 0.94381508189811 0.28411035761711 18.998 > 79 82 F 0.08802080020662 0.94381508189811 0.78411035761711 18.998 > 79 83 F 0.42135413353996 0.94381508189811 0.78411035761711 18.998 > 79 84 F 0.75468746687329 0.94381508189811 0.78411035761711 18.998 > 79 85 F 0.24231422632297 0.19125667565819 0.45787740963250 18.998 > 85 86 F 0.57564755965630 0.19125667565819 0.45787740963250 18.998 > 85 87 F 0.90898089298963 0.19125667565819 0.45787740963250 18.998 > 85 88 F 0.24231422632297 0.19125667565819 0.95787740963250 18.998 > 85 89 F 0.57564755965630 0.19125667565819 0.95787740963250 18.998 > 85 90 F 0.90898089298963 0.19125667565819 0.95787740963250 18.998 > 85 91 F 0.07864586646004 0.55618491810189 0.03411035761711 18.998 > 91 92 F 0.41197919979338 0.55618491810189 0.03411035761711 18.998 > 91 93 F 0.74531253312671 0.55618491810189 0.03411035761711 18.998 > 91 94 F 0.07864586646004 0.55618491810189 0.53411035761711 18.998 > 91 95 F 0.41197919979338 0.55618491810189 0.53411035761711 18.998 > 91 96 F 0.74531253312671 0.55618491810189 0.53411035761711 18.998 > 91 97 F 0.09101910701037 0.19125667565819 0.29212259036750 18.998 > 97 98 F 0.42435244034370 0.19125667565819 0.29212259036750 18.998 > 97 99 F 0.75768577367703 0.19125667565819 0.29212259036750 18.998 > 97 100 F 0.09101910701037 0.19125667565819 0.79212259036750 18.998 > 97 101 F 0.42435244034370 0.19125667565819 0.79212259036750 18.998 > 97 102 F 0.75768577367703 0.19125667565819 0.79212259036750 18.998 > 97 103 F 0.25768577367703 0.30874332434181 0.20787740963250 18.998 > 103 104 F 0.59101910701037 0.30874332434181 0.20787740963250 18.998 > 103 105 F 0.92435244034370 0.30874332434181 0.20787740963250 18.998 > 103 106 F 0.25768577367703 0.30874332434181 0.70787740963250 18.998 > 103 107 F 0.59101910701037 0.30874332434181 0.70787740963250 18.998 > 103 108 F 0.92435244034370 0.30874332434181 0.70787740963250 18.998 > 103 109 F 0.07564755965630 0.30874332434181 0.04212259036750 18.998 > 109 110 F 0.40898089298963 0.30874332434181 0.04212259036750 18.998 > 109 111 F 0.74231422632297 0.30874332434181 0.04212259036750 18.998 > 109 112 F 0.07564755965630 0.30874332434181 0.54212259036750 18.998 > 109 113 F 0.40898089298963 0.30874332434181 0.54212259036750 18.998 > 109 114 F 0.74231422632297 0.30874332434181 0.54212259036750 18.998 > 109 115 F 0.24231422632297 0.80874332434181 0.20787740963250 18.998 > 115 116 F 0.57564755965630 0.80874332434181 0.20787740963250 18.998 > 115 117 F 0.90898089298963 0.80874332434181 0.20787740963250 18.998 > 115 118 F 0.24231422632297 0.80874332434181 0.70787740963250 18.998 > 115 119 F 0.57564755965630 0.80874332434181 0.70787740963250 18.998 > 115 120 F 0.90898089298963 0.80874332434181 0.70787740963250 18.998 > 115 121 In 0.16666666666667 0.33193147802097 0.37500000000000 114.818 > 121 122 In 0.50000000000000 0.33193147802097 0.37500000000000 114.818 > 121 123 In 0.83333333333333 0.33193147802097 0.37500000000000 114.818 > 121 124 In 0.16666666666667 0.33193147802097 0.87500000000000 114.818 > 121 125 In 0.50000000000000 0.33193147802097 0.87500000000000 114.818 > 121 126 In 0.83333333333333 0.33193147802097 0.87500000000000 114.818 > 121 127 In 0.00000000000000 0.83193147802097 0.37500000000000 114.818 > 127 128 In 0.33333333333333 0.83193147802097 0.37500000000000 114.818 > 127 129 In 0.66666666666667 0.83193147802097 0.37500000000000 114.818 > 127 130 In 0.00000000000000 0.83193147802097 0.87500000000000 114.818 > 127 131 In 0.33333333333333 0.83193147802097 0.87500000000000 114.818 > 127 132 In 0.66666666666667 0.83193147802097 0.87500000000000 114.818 > 127 133 In 0.16666666666667 0.66806852197903 0.12500000000000 114.818 > 133 134 In 0.50000000000000 0.66806852197903 0.12500000000000 114.818 > 133 135 In 0.83333333333333 0.66806852197903 0.12500000000000 114.818 > 133 136 In 0.16666666666667 0.66806852197903 0.62500000000000 114.818 > 133 137 In 0.50000000000000 0.66806852197903 0.62500000000000 114.818 > 133 138 In 0.83333333333333 0.66806852197903 0.62500000000000 114.818 > 133 139 In 0.00000000000000 0.16806852197903 0.12500000000000 114.818 > 139 140 In 0.33333333333333 0.16806852197903 0.12500000000000 114.818 > 139 141 In 0.66666666666667 0.16806852197903 0.12500000000000 114.818 > 139 142 In 0.00000000000000 0.16806852197903 0.62500000000000 114.818 > 139 143 In 0.33333333333333 0.16806852197903 0.62500000000000 114.818 > 139 144 In 0.66666666666667 0.16806852197903 0.62500000000000 114.818 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4199377 0.0000000 0.0000000 0.0000000 2.4156117 0.0000000 0.0000000 0.0000000 2.4001455 -------------------------- Born effective charges -------------------------- 1 Li 1.1205979 0.0000000 -0.0329345 -0.0000000 1.1669757 0.0000000 -0.0622824 0.0000000 1.0969150 2 Li 1.1205979 0.0000000 0.0329345 -0.0000000 1.1669757 0.0000000 0.0622824 0.0000000 1.0969150 3 Li 1.1205979 0.0000000 -0.0329345 -0.0000000 1.1669757 0.0000000 -0.0622824 0.0000000 1.0969150 4 Li 1.1205979 0.0000000 0.0329345 -0.0000000 1.1669757 0.0000000 0.0622824 0.0000000 1.0969150 5 F -1.0419679 -0.2263639 0.1530724 -0.2693113 -1.1132667 0.1318247 0.1703889 0.1095416 -0.9604679 6 F -1.1180913 0.2278329 -0.4035455 0.1814548 -1.0108442 0.1933579 -0.4218650 0.2220640 -1.1883194 7 F -1.1180913 -0.2278329 0.4035455 -0.1814548 -1.0108442 0.1933579 0.4218650 0.2220640 -1.1883194 8 F -1.1180913 0.2278329 0.4035455 0.1814548 -1.0108442 -0.1933579 0.4218650 -0.2220640 -1.1883194 9 F -1.0419679 0.2263639 -0.1530724 0.2693113 -1.1132667 0.1318247 -0.1703889 0.1095416 -0.9604679 10 F -1.0419679 0.2263639 -0.1530724 0.2693113 -1.1132667 0.1318247 -0.1703889 0.1095416 -0.9604679 11 F -1.0419679 0.2263639 0.1530724 0.2693113 -1.1132667 -0.1318247 0.1703889 -0.1095416 -0.9604679 12 F -1.0419679 -0.2263639 -0.1530724 -0.2693113 -1.1132667 -0.1318247 -0.1703889 -0.1095416 -0.9604679 13 F -1.0419679 0.2263639 0.1530724 0.2693113 -1.1132667 -0.1318247 0.1703889 -0.1095416 -0.9604679 14 F -1.0419679 -0.2263639 0.1530724 -0.2693113 -1.1132667 0.1318247 0.1703889 0.1095416 -0.9604679 15 F -1.1180913 0.2278329 -0.4035455 0.1814548 -1.0108442 0.1933579 -0.4218650 0.2220640 -1.1883194 16 F -1.0419679 -0.2263639 -0.1530724 -0.2693113 -1.1132667 -0.1318247 -0.1703889 -0.1095416 -0.9604679 17 F -1.1180913 -0.2278329 -0.4035455 -0.1814548 -1.0108442 -0.1933579 -0.4218650 -0.2220640 -1.1883194 18 F -1.1180913 0.2278329 0.4035455 0.1814548 -1.0108442 -0.1933579 0.4218650 -0.2220640 -1.1883194 19 F -1.1180913 -0.2278329 0.4035455 -0.1814548 -1.0108442 0.1933579 0.4218650 0.2220640 -1.1883194 20 F -1.1180913 -0.2278329 -0.4035455 -0.1814548 -1.0108442 -0.1933579 -0.4218650 -0.2220640 -1.1883194 21 In 3.1995205 0.0000000 -0.0939790 -0.0000000 3.0812463 0.0000000 -0.0057129 0.0000000 3.2006596 22 In 3.1995205 0.0000000 0.0939790 -0.0000000 3.0812463 0.0000000 0.0057129 0.0000000 3.2006596 23 In 3.1995205 0.0000000 -0.0939790 -0.0000000 3.0812463 0.0000000 -0.0057129 0.0000000 3.2006596 24 In 3.1995205 0.0000000 0.0939790 -0.0000000 3.0812463 0.0000000 0.0057129 0.0000000 3.2006596 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 ... [ 11 4 10 ] 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: 0.64, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 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 1.752 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.490 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.726 ( 0.000 0.000 0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.510 ( 0.000 0.000 0.000) 0.000 10.642 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.652 ( 0.000 0.000 0.000) 0.000 11.924 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.001 ( 0.000 0.000 0.000) 0.000 12.078 ( 0.000 0.000 0.000) 0.000 12.174 ( 0.000 0.000 0.000) 0.000 12.252 ( 0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.818 ( 0.000 0.000 0.000) 0.000 13.861 ( 0.000 0.000 0.000) 0.000 14.056 ( 0.000 0.000 0.000) 0.000 14.132 ( 0.000 0.000 0.000) 0.000 14.814 ( 0.000 0.000 0.000) 0.000 15.039 ( 0.000 0.000 0.000) 0.000 15.764 ( 0.000 0.000 0.000) 0.000 15.813 ( 0.000 0.000 0.000) 0.000 15.897 ( 0.000 0.000 0.000) 0.000 16.071 ( 0.000 0.000 0.000) 0.000 16.788 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 28.876 0.000 0.000) 28.876 0.694 ( 35.804 0.000 0.000) 35.804 0.941 ( 48.319 0.000 0.000) 48.319 1.882 ( 12.850 0.000 0.000) 12.850 2.263 ( -11.230 0.000 0.000) 11.230 2.356 ( -0.641 0.000 0.000) 0.641 2.828 ( 11.619 0.000 0.000) 11.619 2.877 ( -2.570 0.000 0.000) 2.570 3.089 ( -0.977 0.000 0.000) 0.977 3.467 ( -1.529 0.000 0.000) 1.529 3.983 ( 6.007 0.000 0.000) 6.007 4.004 ( -12.475 0.000 0.000) 12.475 4.101 ( -1.503 0.000 0.000) 1.503 4.142 ( -1.175 0.000 0.000) 1.175 4.217 ( -6.509 0.000 0.000) 6.509 4.324 ( -0.758 0.000 0.000) 0.758 4.388 ( -0.381 0.000 0.000) 0.381 4.530 ( -5.408 0.000 0.000) 5.408 4.642 ( 7.136 0.000 0.000) 7.136 4.675 ( -0.392 0.000 0.000) 0.392 5.315 ( -1.859 0.000 0.000) 1.859 5.503 ( -13.254 0.000 0.000) 13.254 5.559 ( 1.684 0.000 0.000) 1.684 5.629 ( 1.479 0.000 0.000) 1.479 5.694 ( -3.193 0.000 0.000) 3.193 6.075 ( 7.691 0.000 0.000) 7.691 6.424 ( 16.054 0.000 0.000) 16.054 6.449 ( -4.735 0.000 0.000) 4.735 6.492 ( -1.654 0.000 0.000) 1.654 6.806 ( -8.218 0.000 0.000) 8.218 6.925 ( -0.086 0.000 0.000) 0.086 7.107 ( 3.678 0.000 0.000) 3.678 7.190 ( -2.091 0.000 0.000) 2.091 7.570 ( 1.316 0.000 0.000) 1.316 7.698 ( -8.187 0.000 0.000) 8.187 7.967 ( -1.104 0.000 0.000) 1.104 8.040 ( 0.698 0.000 0.000) 0.698 8.162 ( 3.069 0.000 0.000) 3.069 8.320 ( -6.597 0.000 0.000) 6.597 8.467 ( -5.050 0.000 0.000) 5.050 8.731 ( 1.912 0.000 0.000) 1.912 8.838 ( 6.583 0.000 0.000) 6.583 9.091 ( 4.756 0.000 0.000) 4.756 9.585 ( -12.466 0.000 0.000) 12.466 9.913 ( -0.087 0.000 0.000) 0.087 10.018 ( -0.431 0.000 0.000) 0.431 10.690 ( 3.909 0.000 0.000) 3.909 10.750 ( -5.195 0.000 0.000) 5.195 11.000 ( 0.709 0.000 0.000) 0.709 11.031 ( -6.139 0.000 0.000) 6.139 11.116 ( -2.808 0.000 0.000) 2.808 11.686 ( 1.760 0.000 0.000) 1.760 11.763 ( -12.596 0.000 0.000) 12.596 11.845 ( -6.293 0.000 0.000) 6.293 11.850 ( -10.794 0.000 0.000) 10.794 12.156 ( 3.469 0.000 0.000) 3.469 12.356 ( 17.097 0.000 0.000) 17.097 12.387 ( 8.893 0.000 0.000) 8.893 12.743 ( 15.231 0.000 0.000) 15.231 13.168 ( 13.104 0.000 0.000) 13.104 13.748 ( -2.189 0.000 0.000) 2.189 13.849 ( -1.192 0.000 0.000) 1.192 13.855 ( 3.332 0.000 0.000) 3.332 14.103 ( -2.785 0.000 0.000) 2.785 14.792 ( -2.255 0.000 0.000) 2.255 14.934 ( -10.581 0.000 0.000) 10.581 15.742 ( -2.213 0.000 0.000) 2.213 15.822 ( 0.984 0.000 0.000) 0.984 15.926 ( 2.899 0.000 0.000) 2.899 16.053 ( -1.841 0.000 0.000) 1.841 16.747 ( -3.972 0.000 0.000) 3.972 17.324 ( -2.387 0.000 0.000) 2.387 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 28.902 0.000 0.000) 28.902 1.355 ( 32.829 0.000 0.000) 32.829 1.824 ( 43.231 0.000 0.000) 43.231 2.059 ( -8.783 0.000 0.000) 8.783 2.199 ( 19.103 0.000 0.000) 19.103 2.359 ( 1.583 0.000 0.000) 1.583 2.790 ( -6.248 0.000 0.000) 6.248 3.074 ( 13.701 0.000 0.000) 13.701 3.091 ( 1.475 0.000 0.000) 1.475 3.441 ( -0.734 0.000 0.000) 0.734 3.754 ( -12.980 0.000 0.000) 12.980 4.027 ( -5.017 0.000 0.000) 5.017 4.076 ( -7.951 0.000 0.000) 7.951 4.106 ( 5.677 0.000 0.000) 5.677 4.143 ( 0.454 0.000 0.000) 0.454 4.253 ( -6.349 0.000 0.000) 6.349 4.356 ( -12.667 0.000 0.000) 12.667 4.397 ( 2.067 0.000 0.000) 2.067 4.651 ( -2.134 0.000 0.000) 2.134 4.801 ( 8.894 0.000 0.000) 8.894 5.216 ( -16.271 0.000 0.000) 16.271 5.292 ( 0.165 0.000 0.000) 0.165 5.589 ( -7.993 0.000 0.000) 7.993 5.625 ( 4.649 0.000 0.000) 4.649 5.665 ( 1.882 0.000 0.000) 1.882 6.206 ( 5.576 0.000 0.000) 5.576 6.298 ( -10.890 0.000 0.000) 10.890 6.455 ( -2.047 0.000 0.000) 2.047 6.640 ( -8.868 0.000 0.000) 8.868 6.777 ( 18.984 0.000 0.000) 18.984 6.924 ( -0.237 0.000 0.000) 0.237 7.153 ( -1.317 0.000 0.000) 1.317 7.172 ( 3.495 0.000 0.000) 3.495 7.483 ( -13.633 0.000 0.000) 13.633 7.611 ( 3.109 0.000 0.000) 3.109 7.938 ( -2.007 0.000 0.000) 2.007 8.045 ( -0.406 0.000 0.000) 0.406 8.185 ( -7.092 0.000 0.000) 7.092 8.230 ( 3.665 0.000 0.000) 3.665 8.355 ( -6.167 0.000 0.000) 6.167 8.781 ( 3.249 0.000 0.000) 3.249 8.964 ( 5.916 0.000 0.000) 5.916 9.183 ( 4.119 0.000 0.000) 4.119 9.339 ( -11.775 0.000 0.000) 11.775 9.911 ( -0.054 0.000 0.000) 0.054 10.006 ( -0.868 0.000 0.000) 0.868 10.619 ( -7.589 0.000 0.000) 7.589 10.750 ( 1.426 0.000 0.000) 1.426 10.936 ( -2.868 0.000 0.000) 2.868 11.032 ( 2.488 0.000 0.000) 2.488 11.040 ( -4.565 0.000 0.000) 4.565 11.546 ( -9.687 0.000 0.000) 9.687 11.633 ( -11.371 0.000 0.000) 11.371 11.695 ( -0.793 0.000 0.000) 0.793 11.753 ( -2.514 0.000 0.000) 2.514 12.185 ( -0.389 0.000 0.000) 0.389 12.554 ( 8.718 0.000 0.000) 8.718 12.718 ( 18.207 0.000 0.000) 18.207 13.091 ( 19.678 0.000 0.000) 19.678 13.454 ( 15.259 0.000 0.000) 15.259 13.694 ( -3.210 0.000 0.000) 3.210 13.818 ( -1.811 0.000 0.000) 1.811 13.922 ( 3.132 0.000 0.000) 3.132 14.043 ( -2.903 0.000 0.000) 2.903 14.663 ( -16.645 0.000 0.000) 16.645 14.732 ( -3.770 0.000 0.000) 3.770 15.683 ( -3.798 0.000 0.000) 3.798 15.854 ( 2.466 0.000 0.000) 2.466 15.956 ( -2.848 0.000 0.000) 2.848 16.049 ( 4.539 0.000 0.000) 4.539 16.651 ( -5.774 0.000 0.000) 5.774 17.256 ( -4.766 0.000 0.000) 4.766 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 27.986 0.000 0.000) 27.986 1.828 ( 7.164 0.000 0.000) 7.164 2.065 ( 19.124 0.000 0.000) 19.124 2.438 ( 6.947 0.000 0.000) 6.947 2.469 ( 11.713 0.000 0.000) 11.713 2.574 ( 19.394 0.000 0.000) 19.394 2.742 ( 12.802 0.000 0.000) 12.802 3.145 ( 4.088 0.000 0.000) 4.088 3.327 ( 11.873 0.000 0.000) 11.873 3.443 ( 0.531 0.000 0.000) 0.531 3.532 ( -9.695 0.000 0.000) 9.695 3.913 ( -9.036 0.000 0.000) 9.036 3.949 ( -1.859 0.000 0.000) 1.859 4.065 ( -17.125 0.000 0.000) 17.125 4.085 ( -11.183 0.000 0.000) 11.183 4.145 ( -0.362 0.000 0.000) 0.362 4.183 ( 3.204 0.000 0.000) 3.204 4.476 ( 5.347 0.000 0.000) 5.347 4.601 ( -2.652 0.000 0.000) 2.652 4.900 ( -16.110 0.000 0.000) 16.110 4.971 ( 8.596 0.000 0.000) 8.596 5.327 ( 3.140 0.000 0.000) 3.140 5.396 ( -11.649 0.000 0.000) 11.649 5.669 ( -3.292 0.000 0.000) 3.292 5.718 ( 4.801 0.000 0.000) 4.801 6.070 ( -10.781 0.000 0.000) 10.781 6.285 ( 2.834 0.000 0.000) 2.834 6.418 ( -1.806 0.000 0.000) 1.806 6.466 ( -9.464 0.000 0.000) 9.464 6.880 ( -6.469 0.000 0.000) 6.469 7.093 ( 13.024 0.000 0.000) 13.024 7.144 ( 0.178 0.000 0.000) 0.178 7.229 ( -10.352 0.000 0.000) 10.352 7.252 ( 4.932 0.000 0.000) 4.932 7.704 ( 7.113 0.000 0.000) 7.113 7.891 ( -2.713 0.000 0.000) 2.713 8.021 ( -2.084 0.000 0.000) 2.084 8.058 ( -6.044 0.000 0.000) 6.044 8.239 ( -6.031 0.000 0.000) 6.031 8.288 ( 2.095 0.000 0.000) 2.095 8.850 ( 3.876 0.000 0.000) 3.876 9.049 ( 2.807 0.000 0.000) 2.807 9.162 ( -6.651 0.000 0.000) 6.651 9.228 ( 0.291 0.000 0.000) 0.291 9.912 ( 0.121 0.000 0.000) 0.121 9.986 ( -1.245 0.000 0.000) 1.245 10.497 ( -4.467 0.000 0.000) 4.467 10.729 ( -2.950 0.000 0.000) 2.950 10.933 ( 1.829 0.000 0.000) 1.829 10.977 ( -1.175 0.000 0.000) 1.175 11.086 ( 2.782 0.000 0.000) 2.782 11.398 ( -5.740 0.000 0.000) 5.740 11.433 ( -9.199 0.000 0.000) 9.199 11.659 ( -2.878 0.000 0.000) 2.878 11.745 ( 1.098 0.000 0.000) 1.098 12.143 ( -3.978 0.000 0.000) 3.978 12.715 ( 7.989 0.000 0.000) 7.989 12.986 ( 9.049 0.000 0.000) 9.049 13.461 ( 18.497 0.000 0.000) 18.497 13.635 ( -2.734 0.000 0.000) 2.734 13.651 ( 1.757 0.000 0.000) 1.757 13.850 ( 8.245 0.000 0.000) 8.245 13.954 ( -0.135 0.000 0.000) 0.135 14.016 ( 0.567 0.000 0.000) 0.567 14.347 ( -15.095 0.000 0.000) 15.095 14.655 ( -4.212 0.000 0.000) 4.212 15.605 ( -4.120 0.000 0.000) 4.120 15.854 ( -6.814 0.000 0.000) 6.814 15.919 ( 4.389 0.000 0.000) 4.389 16.188 ( 8.979 0.000 0.000) 8.979 16.535 ( -6.241 0.000 0.000) 6.241 17.142 ( -7.055 0.000 0.000) 7.055 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 3.798 0.000 0.000) 3.798 2.162 ( 25.513 0.000 0.000) 25.513 2.377 ( -9.874 0.000 0.000) 9.874 2.531 ( 23.648 0.000 0.000) 23.648 2.618 ( 11.042 0.000 0.000) 11.042 2.917 ( 15.997 0.000 0.000) 15.997 3.104 ( 11.760 0.000 0.000) 11.760 3.244 ( 6.262 0.000 0.000) 6.262 3.405 ( -3.038 0.000 0.000) 3.038 3.433 ( -2.425 0.000 0.000) 2.425 3.488 ( 4.111 0.000 0.000) 4.111 3.726 ( -16.710 0.000 0.000) 16.710 3.740 ( -9.602 0.000 0.000) 9.602 3.834 ( -14.653 0.000 0.000) 14.653 4.026 ( 11.213 0.000 0.000) 11.213 4.133 ( -0.643 0.000 0.000) 0.643 4.264 ( 4.211 0.000 0.000) 4.211 4.543 ( -0.372 0.000 0.000) 0.372 4.577 ( 0.955 0.000 0.000) 0.955 4.658 ( -5.448 0.000 0.000) 5.448 5.069 ( -4.667 0.000 0.000) 4.667 5.216 ( -0.592 0.000 0.000) 0.592 5.387 ( 2.354 0.000 0.000) 2.354 5.465 ( -17.184 0.000 0.000) 17.184 5.812 ( 5.324 0.000 0.000) 5.324 5.982 ( 1.374 0.000 0.000) 1.374 6.280 ( -9.902 0.000 0.000) 9.902 6.320 ( 0.867 0.000 0.000) 0.867 6.388 ( -1.241 0.000 0.000) 1.241 6.640 ( -16.369 0.000 0.000) 16.369 7.141 ( -0.620 0.000 0.000) 0.620 7.152 ( 0.518 0.000 0.000) 0.518 7.266 ( 5.804 0.000 0.000) 5.804 7.345 ( 4.051 0.000 0.000) 4.051 7.850 ( -0.848 0.000 0.000) 0.848 7.878 ( 10.113 0.000 0.000) 10.113 7.961 ( -3.878 0.000 0.000) 3.878 7.972 ( -2.765 0.000 0.000) 2.765 8.124 ( -5.843 0.000 0.000) 5.843 8.297 ( -1.390 0.000 0.000) 1.390 8.929 ( 4.460 0.000 0.000) 4.460 9.073 ( -0.008 0.000 0.000) 0.008 9.077 ( -2.544 0.000 0.000) 2.544 9.196 ( -3.302 0.000 0.000) 3.302 9.916 ( 0.318 0.000 0.000) 0.318 9.961 ( -1.311 0.000 0.000) 1.311 10.460 ( 0.552 0.000 0.000) 0.552 10.661 ( -3.945 0.000 0.000) 3.945 10.979 ( 2.701 0.000 0.000) 2.701 11.005 ( 3.746 0.000 0.000) 3.746 11.117 ( -0.068 0.000 0.000) 0.068 11.287 ( -6.104 0.000 0.000) 6.104 11.339 ( 0.002 0.000 0.000) 0.002 11.586 ( -4.636 0.000 0.000) 4.636 11.776 ( 1.940 0.000 0.000) 1.940 12.040 ( -6.425 0.000 0.000) 6.425 12.853 ( 6.352 0.000 0.000) 6.352 13.068 ( 0.390 0.000 0.000) 0.390 13.597 ( -1.185 0.000 0.000) 1.185 13.616 ( -2.593 0.000 0.000) 2.593 13.780 ( 14.431 0.000 0.000) 14.431 13.919 ( -3.070 0.000 0.000) 3.070 13.976 ( -1.809 0.000 0.000) 1.809 14.055 ( 2.657 0.000 0.000) 2.657 14.185 ( 2.785 0.000 0.000) 2.785 14.572 ( -4.619 0.000 0.000) 4.619 15.538 ( -2.535 0.000 0.000) 2.535 15.714 ( -7.467 0.000 0.000) 7.467 16.021 ( 6.109 0.000 0.000) 6.109 16.379 ( 10.718 0.000 0.000) 10.718 16.413 ( -6.604 0.000 0.000) 6.604 16.988 ( -9.072 0.000 0.000) 9.072 ======================= Grid point 5 (6/108) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 8.245 0.000 0.000) 8.245 2.180 ( -10.281 0.000 0.000) 10.281 2.599 ( 18.898 0.000 0.000) 18.898 2.782 ( 2.155 0.000 0.000) 2.155 2.916 ( 16.152 0.000 0.000) 16.152 3.135 ( -6.240 0.000 0.000) 6.240 3.170 ( 10.413 0.000 0.000) 10.413 3.335 ( -7.337 0.000 0.000) 7.337 3.379 ( 7.080 0.000 0.000) 7.080 3.426 ( 4.668 0.000 0.000) 4.668 3.465 ( -6.814 0.000 0.000) 6.814 3.487 ( -3.545 0.000 0.000) 3.545 3.561 ( -11.916 0.000 0.000) 11.916 3.578 ( -7.984 0.000 0.000) 7.984 4.139 ( 2.061 0.000 0.000) 2.061 4.225 ( -6.265 0.000 0.000) 6.265 4.312 ( 15.172 0.000 0.000) 15.172 4.515 ( -4.854 0.000 0.000) 4.854 4.660 ( 7.839 0.000 0.000) 7.839 4.747 ( 14.041 0.000 0.000) 14.041 4.859 ( -12.207 0.000 0.000) 12.207 5.094 ( -20.142 0.000 0.000) 20.142 5.314 ( 5.866 0.000 0.000) 5.866 5.393 ( -2.019 0.000 0.000) 2.019 5.933 ( 7.476 0.000 0.000) 7.476 6.077 ( 8.243 0.000 0.000) 8.243 6.095 ( -9.276 0.000 0.000) 9.276 6.277 ( -9.615 0.000 0.000) 9.615 6.371 ( -0.555 0.000 0.000) 0.555 6.384 ( -4.678 0.000 0.000) 4.678 7.148 ( 0.718 0.000 0.000) 0.718 7.157 ( -0.137 0.000 0.000) 0.137 7.346 ( 3.036 0.000 0.000) 3.036 7.382 ( -0.337 0.000 0.000) 0.337 7.880 ( 3.961 0.000 0.000) 3.961 7.915 ( -0.817 0.000 0.000) 0.817 7.926 ( -1.753 0.000 0.000) 1.753 7.975 ( -4.294 0.000 0.000) 4.294 8.098 ( 7.081 0.000 0.000) 7.081 8.231 ( -5.510 0.000 0.000) 5.510 9.020 ( 4.980 0.000 0.000) 4.980 9.054 ( -0.169 0.000 0.000) 0.169 9.062 ( -0.807 0.000 0.000) 0.807 9.116 ( -4.834 0.000 0.000) 4.834 9.924 ( 0.552 0.000 0.000) 0.552 9.938 ( -0.963 0.000 0.000) 0.963 10.504 ( 3.588 0.000 0.000) 3.588 10.582 ( -4.262 0.000 0.000) 4.262 11.032 ( 2.853 0.000 0.000) 2.853 11.086 ( -2.629 0.000 0.000) 2.629 11.096 ( 5.180 0.000 0.000) 5.180 11.189 ( -4.608 0.000 0.000) 4.608 11.389 ( 4.490 0.000 0.000) 4.490 11.488 ( -5.454 0.000 0.000) 5.454 11.824 ( 3.396 0.000 0.000) 3.396 11.915 ( -6.089 0.000 0.000) 6.089 12.958 ( 4.741 0.000 0.000) 4.741 13.035 ( -3.204 0.000 0.000) 3.204 13.587 ( -0.158 0.000 0.000) 0.158 13.587 ( -0.432 0.000 0.000) 0.432 13.865 ( -1.685 0.000 0.000) 1.685 13.884 ( -3.848 0.000 0.000) 3.848 13.997 ( 7.937 0.000 0.000) 7.937 14.080 ( -0.961 0.000 0.000) 0.961 14.330 ( 8.410 0.000 0.000) 8.410 14.470 ( -6.206 0.000 0.000) 6.206 15.522 ( 1.173 0.000 0.000) 1.173 15.586 ( -5.388 0.000 0.000) 5.388 16.147 ( 7.002 0.000 0.000) 7.002 16.282 ( -7.017 0.000 0.000) 7.017 16.590 ( 11.183 0.000 0.000) 11.183 16.799 ( -10.547 0.000 0.000) 10.547 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 0.000 22.167 0.000) 22.167 0.591 ( 0.000 26.094 0.000) 26.094 0.960 ( 0.000 43.476 0.000) 43.476 1.542 ( 0.000 -15.478 0.000) 15.478 1.899 ( 0.000 -24.423 0.000) 24.423 2.442 ( 0.000 -21.598 0.000) 21.598 2.776 ( 0.000 15.400 0.000) 15.400 2.908 ( 0.000 11.378 0.000) 11.378 3.192 ( 0.000 7.347 0.000) 7.347 3.460 ( 0.000 -2.598 0.000) 2.598 3.664 ( 0.000 -1.061 0.000) 1.061 3.948 ( 0.000 0.814 0.000) 0.814 4.136 ( 0.000 -12.543 0.000) 12.543 4.165 ( 0.000 -0.894 0.000) 0.894 4.188 ( 0.000 2.608 0.000) 2.608 4.316 ( 0.000 -1.395 0.000) 1.395 4.394 ( 0.000 -7.249 0.000) 7.249 4.478 ( 0.000 -8.131 0.000) 8.131 4.731 ( 0.000 5.703 0.000) 5.703 4.774 ( 0.000 4.216 0.000) 4.216 5.079 ( 0.000 5.269 0.000) 5.269 5.402 ( 0.000 -8.441 0.000) 8.441 5.443 ( 0.000 8.844 0.000) 8.844 5.705 ( 0.000 -1.867 0.000) 1.867 5.870 ( 0.000 13.016 0.000) 13.016 6.011 ( 0.000 3.855 0.000) 3.855 6.318 ( 0.000 -7.199 0.000) 7.199 6.330 ( 0.000 7.404 0.000) 7.404 6.399 ( 0.000 -8.366 0.000) 8.366 6.795 ( 0.000 -9.978 0.000) 9.978 6.930 ( 0.000 0.414 0.000) 0.414 7.027 ( 0.000 -5.753 0.000) 5.753 7.403 ( 0.000 8.830 0.000) 8.830 7.581 ( 0.000 1.126 0.000) 1.126 7.797 ( 0.000 2.229 0.000) 2.229 8.028 ( 0.000 -5.414 0.000) 5.414 8.042 ( 0.000 1.069 0.000) 1.069 8.110 ( 0.000 -1.469 0.000) 1.469 8.330 ( 0.000 5.042 0.000) 5.042 8.503 ( 0.000 -1.889 0.000) 1.889 8.807 ( 0.000 4.052 0.000) 4.052 9.001 ( 0.000 -3.309 0.000) 3.309 9.757 ( 0.000 2.839 0.000) 2.839 9.923 ( 0.000 0.954 0.000) 0.954 9.923 ( 0.000 -3.287 0.000) 3.287 10.001 ( 0.000 -1.847 0.000) 1.847 10.539 ( 0.000 2.362 0.000) 2.362 10.631 ( 0.000 -1.076 0.000) 1.076 11.003 ( 0.000 0.458 0.000) 0.458 11.044 ( 0.000 -2.110 0.000) 2.110 11.314 ( 0.000 11.703 0.000) 11.703 11.677 ( 0.000 2.292 0.000) 2.292 11.851 ( 0.000 -5.102 0.000) 5.102 11.932 ( 0.000 0.681 0.000) 0.681 11.951 ( 0.000 -0.108 0.000) 0.108 11.983 ( 0.000 -17.063 0.000) 17.063 12.069 ( 0.000 3.278 0.000) 3.278 12.160 ( 0.000 -1.244 0.000) 1.244 12.684 ( 0.000 11.001 0.000) 11.001 12.991 ( 0.000 -3.355 0.000) 3.355 13.765 ( 0.000 -0.137 0.000) 0.137 13.832 ( 0.000 -2.356 0.000) 2.356 14.081 ( 0.000 1.907 0.000) 1.907 14.132 ( 0.000 -0.146 0.000) 0.146 14.850 ( 0.000 3.154 0.000) 3.154 15.009 ( 0.000 -2.720 0.000) 2.720 15.789 ( 0.000 2.040 0.000) 2.040 15.820 ( 0.000 2.949 0.000) 2.949 15.880 ( 0.000 -1.521 0.000) 1.521 16.020 ( 0.000 -4.376 0.000) 4.376 16.824 ( 0.000 2.991 0.000) 2.991 16.954 ( 0.000 -1.993 0.000) 1.993 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 15.372 16.942 0.000) 22.876 0.841 ( 28.738 12.100 0.000) 31.181 1.344 ( 29.571 22.602 0.000) 37.219 1.720 ( 17.439 -7.690 0.000) 19.060 1.810 ( -6.399 -24.732 0.000) 25.547 2.529 ( 5.352 -9.491 0.000) 10.896 2.837 ( 7.342 9.633 0.000) 12.112 3.022 ( 4.284 10.883 0.000) 11.696 3.150 ( -2.751 5.194 0.000) 5.878 3.440 ( -1.631 -2.847 0.000) 3.281 3.781 ( 6.959 -10.573 0.000) 12.658 3.996 ( 4.486 -0.565 0.000) 4.521 4.038 ( -10.545 -0.693 0.000) 10.568 4.121 ( -1.546 -11.995 0.000) 12.094 4.189 ( -9.341 -5.304 0.000) 10.742 4.190 ( -0.236 1.192 0.000) 1.215 4.312 ( -4.389 0.359 0.000) 4.404 4.516 ( 0.296 -4.538 0.000) 4.547 4.746 ( 1.599 4.371 0.000) 4.654 4.759 ( -1.588 4.240 0.000) 4.527 5.296 ( 13.324 -8.399 0.000) 15.751 5.322 ( -3.967 -1.417 0.000) 4.212 5.467 ( -2.080 3.357 0.000) 3.949 5.685 ( -3.048 -2.569 0.000) 3.986 5.753 ( -6.585 12.189 0.000) 13.855 6.113 ( 6.251 3.859 0.000) 7.347 6.280 ( -4.477 -9.967 0.000) 10.927 6.408 ( 0.358 -6.276 0.000) 6.286 6.492 ( 15.446 6.177 0.000) 16.636 6.870 ( 5.943 -6.508 0.000) 8.813 6.927 ( -0.338 0.292 0.000) 0.447 7.025 ( -0.469 -5.797 0.000) 5.816 7.285 ( -9.544 9.640 0.000) 13.565 7.545 ( -4.522 -2.442 0.000) 5.139 7.759 ( -2.880 5.328 0.000) 6.056 8.009 ( -1.252 -2.123 0.000) 2.465 8.049 ( 0.394 0.793 0.000) 0.886 8.135 ( 1.006 -4.485 0.000) 4.596 8.283 ( -3.425 5.439 0.000) 6.427 8.452 ( -4.558 -1.499 0.000) 4.798 8.857 ( 4.094 4.089 0.000) 5.786 9.053 ( 4.662 -3.404 0.000) 5.773 9.311 ( -28.165 20.685 0.000) 34.944 9.583 ( -14.699 -0.515 0.000) 14.708 9.946 ( -0.076 2.411 0.000) 2.412 10.007 ( 0.090 -0.925 0.000) 0.929 10.686 ( 4.089 -0.338 0.000) 4.103 10.709 ( 2.402 -2.666 0.000) 3.588 10.943 ( -1.638 -1.570 0.000) 2.269 10.981 ( -4.993 -2.229 0.000) 5.468 11.257 ( -4.990 10.272 0.000) 11.420 11.703 ( 1.194 1.628 0.000) 2.019 11.716 ( -12.687 -5.419 0.000) 13.796 11.821 ( -4.009 -3.131 0.000) 5.087 11.865 ( -5.246 1.811 0.000) 5.549 12.043 ( 1.490 -7.497 0.000) 7.644 12.362 ( 18.282 0.593 0.000) 18.291 12.391 ( 17.522 -0.087 0.000) 17.522 12.871 ( 15.150 8.777 0.000) 17.508 13.138 ( 13.589 -2.895 0.000) 13.894 13.751 ( -1.314 -0.396 0.000) 1.373 13.815 ( -1.729 -2.708 0.000) 3.213 13.965 ( -5.769 6.844 0.000) 8.951 14.101 ( -2.903 -0.454 0.000) 2.938 14.771 ( -5.145 0.393 0.000) 5.160 14.901 ( -10.603 -2.916 0.000) 10.996 15.778 ( -1.484 2.972 0.000) 3.322 15.838 ( 1.296 1.882 0.000) 2.285 15.905 ( 2.425 -1.901 0.000) 3.081 16.003 ( -1.593 -4.129 0.000) 4.425 16.795 ( -2.855 4.104 0.000) 5.000 17.085 ( 6.160 -11.500 0.000) 13.046 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 26.791 3.009 0.000) 26.960 1.410 ( 28.015 3.637 0.000) 28.250 1.755 ( 3.065 -16.733 0.000) 17.011 1.905 ( 27.284 -4.489 0.000) 27.651 2.154 ( 25.796 8.483 0.000) 27.155 2.570 ( -0.289 7.148 0.000) 7.154 2.986 ( -4.845 13.921 0.000) 14.740 3.054 ( 13.488 0.108 0.000) 13.489 3.160 ( 2.616 5.184 0.000) 5.807 3.414 ( -0.785 -2.846 0.000) 2.953 3.759 ( -9.255 0.106 0.000) 9.256 3.911 ( -2.208 -8.606 0.000) 8.885 4.005 ( -8.228 -6.567 0.000) 10.527 4.079 ( -3.331 -9.950 0.000) 10.492 4.108 ( 5.582 -4.282 0.000) 7.035 4.156 ( -2.592 4.415 0.000) 5.120 4.260 ( -2.165 -1.330 0.000) 2.541 4.454 ( -5.879 -2.851 0.000) 6.534 4.712 ( -3.237 4.377 0.000) 5.444 4.797 ( 4.011 -0.501 0.000) 4.042 5.270 ( -6.014 4.567 0.000) 7.552 5.345 ( -4.887 4.176 0.000) 6.428 5.488 ( 6.856 -7.793 0.000) 10.379 5.568 ( -8.578 -4.556 0.000) 9.713 5.699 ( 0.250 7.136 0.000) 7.141 6.152 ( -8.473 -10.111 0.000) 13.192 6.215 ( 4.342 1.420 0.000) 4.568 6.402 ( -0.765 -4.523 0.000) 4.587 6.833 ( 17.457 4.747 0.000) 18.091 6.838 ( -11.151 9.618 0.000) 14.726 6.916 ( -0.856 -0.546 0.000) 1.015 7.009 ( -1.119 -5.353 0.000) 5.469 7.237 ( 6.711 0.166 0.000) 6.713 7.393 ( -10.045 -5.683 0.000) 11.541 7.726 ( -0.466 7.748 0.000) 7.762 7.982 ( -2.071 1.679 0.000) 2.666 8.046 ( -0.928 0.006 0.000) 0.928 8.088 ( -5.336 -6.209 0.000) 8.187 8.270 ( 1.782 3.292 0.000) 3.743 8.356 ( -5.140 -0.193 0.000) 5.143 8.897 ( -1.090 7.504 0.000) 7.583 9.054 ( -1.444 7.325 0.000) 7.465 9.144 ( 4.163 -3.475 0.000) 5.423 9.308 ( -12.444 -3.036 0.000) 12.809 9.944 ( -0.172 2.386 0.000) 2.392 10.001 ( -0.605 -0.425 0.000) 0.739 10.633 ( -6.925 1.322 0.000) 7.050 10.724 ( -1.243 -2.187 0.000) 2.516 10.922 ( 0.096 -0.058 0.000) 0.112 10.981 ( 3.902 -3.098 0.000) 4.983 11.149 ( -5.631 8.365 0.000) 10.084 11.503 ( -9.444 -4.409 0.000) 10.422 11.697 ( -8.564 3.166 0.000) 9.130 11.701 ( -1.494 0.569 0.000) 1.598 11.790 ( -2.083 3.331 0.000) 3.928 12.048 ( -0.672 -9.034 0.000) 9.059 12.651 ( 10.352 5.739 0.000) 11.837 12.729 ( 17.587 0.764 0.000) 17.604 13.174 ( 16.448 7.012 0.000) 17.881 13.434 ( 15.785 -2.271 0.000) 15.948 13.709 ( -3.103 0.655 0.000) 3.171 13.767 ( -3.148 -3.600 0.000) 4.782 13.939 ( 1.770 2.038 0.000) 2.700 14.045 ( -2.127 -0.433 0.000) 2.171 14.642 ( -15.377 -1.637 0.000) 15.464 14.674 ( -5.105 -3.966 0.000) 6.464 15.728 ( -3.600 3.688 0.000) 5.154 15.877 ( 2.988 2.210 0.000) 3.717 15.914 ( -3.452 -3.658 0.000) 5.030 16.015 ( 4.809 -2.863 0.000) 5.597 16.722 ( -4.593 6.224 0.000) 7.736 17.118 ( -1.802 -10.447 0.000) 10.601 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 27.093 -1.089 0.000) 27.115 1.743 ( 9.661 -6.336 0.000) 11.553 2.072 ( 26.117 2.369 0.000) 26.224 2.367 ( 20.021 -10.844 0.000) 22.769 2.537 ( 9.565 5.585 0.000) 11.077 2.566 ( 1.096 7.979 0.000) 8.054 2.986 ( 8.616 13.639 0.000) 16.133 3.220 ( 3.743 5.514 0.000) 6.665 3.288 ( 9.929 -2.935 0.000) 10.354 3.406 ( -0.635 -3.832 0.000) 3.884 3.574 ( -8.800 3.940 0.000) 9.641 3.844 ( -8.705 -6.000 0.000) 10.573 3.872 ( -0.609 -4.491 0.000) 4.532 3.988 ( -6.359 -3.610 0.000) 7.312 4.097 ( -4.646 2.933 0.000) 5.494 4.202 ( -3.221 1.986 0.000) 3.784 4.208 ( 3.682 -2.392 0.000) 4.391 4.363 ( -1.408 -6.676 0.000) 6.823 4.651 ( -2.412 4.715 0.000) 5.296 4.903 ( 6.899 -5.610 0.000) 8.892 5.027 ( -14.772 9.013 0.000) 17.305 5.340 ( -13.313 -4.885 0.000) 14.181 5.378 ( 3.830 3.961 0.000) 5.510 5.590 ( 1.269 -5.458 0.000) 5.603 5.728 ( 2.555 1.968 0.000) 3.225 5.983 ( -7.628 -6.949 0.000) 10.319 6.279 ( 2.473 -0.017 0.000) 2.473 6.383 ( -1.435 -2.963 0.000) 3.292 6.582 ( -13.504 8.377 0.000) 15.891 6.848 ( -8.205 -2.840 0.000) 8.682 6.983 ( -1.367 -6.399 0.000) 6.543 7.002 ( -2.073 -5.293 0.000) 5.684 7.339 ( 8.019 6.657 0.000) 10.422 7.418 ( 10.165 6.029 0.000) 11.819 7.743 ( 2.838 3.527 0.000) 4.526 7.917 ( -4.550 2.180 0.000) 5.045 7.989 ( -4.387 -5.499 0.000) 7.034 8.011 ( -2.567 -0.926 0.000) 2.729 8.262 ( -4.752 1.863 0.000) 5.104 8.304 ( 1.074 0.792 0.000) 1.334 8.888 ( 1.101 4.066 0.000) 4.213 9.079 ( 1.472 2.263 0.000) 2.700 9.129 ( -6.200 -3.304 0.000) 7.025 9.194 ( 0.558 -2.870 0.000) 2.923 9.940 ( -0.193 2.093 0.000) 2.101 9.985 ( -1.007 -0.071 0.000) 1.010 10.514 ( -4.793 1.700 0.000) 5.086 10.665 ( -3.687 -4.584 0.000) 5.883 10.964 ( 3.084 2.536 0.000) 3.993 11.060 ( 4.036 -1.790 0.000) 4.415 11.068 ( -2.168 7.149 0.000) 7.470 11.357 ( -5.734 -3.620 0.000) 6.781 11.523 ( -8.848 6.172 0.000) 10.788 11.651 ( -3.564 -0.633 0.000) 3.620 11.775 ( 0.012 2.545 0.000) 2.545 12.017 ( -2.686 -9.006 0.000) 9.398 12.812 ( 6.897 6.660 0.000) 9.588 12.979 ( 8.200 -0.903 0.000) 8.250 13.491 ( 16.076 2.994 0.000) 16.352 13.647 ( -2.825 0.951 0.000) 2.980 13.656 ( 1.514 0.401 0.000) 1.566 13.747 ( 6.643 -7.248 0.000) 9.831 13.970 ( 0.381 1.502 0.000) 1.550 14.049 ( 2.848 0.595 0.000) 2.909 14.355 ( -13.590 1.645 0.000) 13.689 14.578 ( -4.784 -6.226 0.000) 7.852 15.652 ( -4.035 3.736 0.000) 5.499 15.817 ( -6.038 -3.114 0.000) 6.794 15.955 ( 5.087 3.279 0.000) 6.053 16.146 ( 8.313 -3.662 0.000) 9.084 16.623 ( -5.747 7.581 0.000) 9.513 17.042 ( -5.848 -8.586 0.000) 10.388 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 8.417 3.147 0.000) 8.986 2.099 ( 19.623 -4.417 0.000) 20.114 2.472 ( -2.149 6.554 0.000) 6.897 2.552 ( 22.700 1.772 0.000) 22.769 2.643 ( 6.996 1.861 0.000) 7.239 2.791 ( 16.631 -7.222 0.000) 18.131 3.174 ( 5.232 3.932 0.000) 6.545 3.300 ( 4.303 2.568 0.000) 5.012 3.356 ( -4.825 -6.318 0.000) 7.950 3.412 ( 2.185 -3.838 0.000) 4.416 3.444 ( -4.191 3.406 0.000) 5.401 3.671 ( -8.848 -5.613 0.000) 10.478 3.848 ( -7.403 7.828 0.000) 10.774 3.884 ( -5.217 6.459 0.000) 8.303 4.034 ( 6.495 -0.053 0.000) 6.495 4.163 ( -0.843 2.477 0.000) 2.617 4.254 ( 2.002 -1.337 0.000) 2.407 4.399 ( 3.118 -11.262 0.000) 11.685 4.639 ( -1.068 7.414 0.000) 7.490 4.784 ( -6.548 7.657 0.000) 10.075 5.032 ( -0.662 -3.630 0.000) 3.690 5.083 ( -6.601 -9.852 0.000) 11.859 5.434 ( 1.179 2.975 0.000) 3.201 5.488 ( -10.926 0.542 0.000) 10.940 5.799 ( 5.047 -0.007 0.000) 5.047 5.935 ( 2.448 -3.893 0.000) 4.598 6.294 ( -9.745 1.205 0.000) 9.819 6.310 ( 0.538 -0.709 0.000) 0.890 6.403 ( -3.130 1.570 0.000) 3.502 6.589 ( -15.864 -4.416 0.000) 16.467 6.963 ( -0.660 -8.540 0.000) 8.565 6.967 ( -0.813 -7.859 0.000) 7.900 7.486 ( 4.827 12.288 0.000) 13.202 7.581 ( 5.532 12.496 0.000) 13.666 7.849 ( -0.867 -1.050 0.000) 1.362 7.863 ( 9.146 -1.670 0.000) 9.298 7.918 ( -2.967 -2.909 0.000) 4.155 7.955 ( -2.956 -1.488 0.000) 3.309 8.170 ( -4.920 3.792 0.000) 6.211 8.297 ( -1.974 -0.475 0.000) 2.030 8.935 ( 3.510 1.054 0.000) 3.665 9.056 ( -1.821 -2.100 0.000) 2.779 9.087 ( -0.569 1.166 0.000) 1.297 9.170 ( -2.803 -2.227 0.000) 3.580 9.937 ( -0.109 1.589 0.000) 1.593 9.965 ( -1.085 0.293 0.000) 1.124 10.462 ( -0.676 0.599 0.000) 0.903 10.599 ( -3.336 -4.735 0.000) 5.792 11.005 ( 1.248 3.051 0.000) 3.297 11.089 ( 3.998 5.838 0.000) 7.076 11.111 ( 0.432 -0.737 0.000) 0.854 11.298 ( 0.148 -2.042 0.000) 2.048 11.378 ( -6.060 5.643 0.000) 8.280 11.568 ( -4.956 -1.702 0.000) 5.240 11.780 ( 0.401 0.382 0.000) 0.554 11.946 ( -4.547 -7.163 0.000) 8.484 12.923 ( 4.814 5.138 0.000) 7.041 13.059 ( 1.003 -0.999 0.000) 1.415 13.599 ( -1.319 0.158 0.000) 1.328 13.614 ( -2.451 -0.228 0.000) 2.461 13.773 ( 11.242 -0.014 0.000) 11.242 13.882 ( 2.982 -4.904 0.000) 5.739 13.952 ( -0.922 2.749 0.000) 2.900 14.132 ( 3.520 -4.280 0.000) 5.542 14.171 ( -2.752 6.975 0.000) 7.498 14.491 ( -4.521 -6.630 0.000) 8.025 15.585 ( -2.673 3.529 0.000) 4.427 15.698 ( -6.020 -1.403 0.000) 6.181 16.070 ( 6.821 4.488 0.000) 8.165 16.321 ( 9.431 -4.648 0.000) 10.514 16.506 ( -6.188 7.631 0.000) 9.824 16.904 ( -8.345 -7.356 0.000) 11.125 ======================= Grid point 16 (12/108) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 7.333 5.274 0.000) 9.032 2.198 ( -5.667 0.761 0.000) 5.718 2.624 ( 14.215 2.443 0.000) 14.423 2.764 ( 2.067 -1.914 0.000) 2.817 2.915 ( 14.378 0.145 0.000) 14.379 3.042 ( 6.738 -6.188 0.000) 9.148 3.161 ( -2.847 -0.048 0.000) 2.847 3.236 ( -6.328 -5.563 0.000) 8.426 3.361 ( 0.768 -1.008 0.000) 1.267 3.377 ( -3.499 -1.732 0.000) 3.904 3.431 ( 2.829 0.565 0.000) 2.885 3.530 ( -6.269 -3.116 0.000) 7.001 3.738 ( -3.576 12.181 0.000) 12.695 3.740 ( -4.988 12.544 0.000) 13.500 4.177 ( 2.624 3.044 0.000) 4.019 4.250 ( -3.410 0.948 0.000) 3.540 4.262 ( 12.044 -4.229 0.000) 12.765 4.421 ( -3.593 -8.631 0.000) 9.349 4.584 ( 3.791 -0.745 0.000) 3.864 4.780 ( -13.809 -6.022 0.000) 15.065 4.885 ( 11.687 7.848 0.000) 14.078 5.108 ( -7.319 -0.465 0.000) 7.334 5.329 ( 0.456 1.683 0.000) 1.744 5.408 ( -3.834 0.397 0.000) 3.855 5.921 ( 7.507 -0.162 0.000) 7.509 6.024 ( 4.297 -3.418 0.000) 5.491 6.111 ( -6.187 0.919 0.000) 6.254 6.237 ( -10.359 -3.521 0.000) 10.941 6.376 ( -0.682 0.323 0.000) 0.755 6.380 ( -2.600 -0.195 0.000) 2.607 6.957 ( -0.076 -9.911 0.000) 9.912 6.959 ( -0.219 -9.526 0.000) 9.529 7.549 ( 2.666 10.986 0.000) 11.305 7.599 ( -2.210 11.228 0.000) 11.444 7.883 ( -0.555 -2.231 0.000) 2.299 7.898 ( -2.002 -2.159 0.000) 2.945 7.916 ( 6.373 2.613 0.000) 6.887 8.016 ( 0.178 1.779 0.000) 1.788 8.104 ( 2.871 1.482 0.000) 3.231 8.224 ( -5.715 -0.912 0.000) 5.788 9.012 ( 4.304 -0.502 0.000) 4.333 9.045 ( 0.371 -0.926 0.000) 0.997 9.067 ( -1.161 0.410 0.000) 1.231 9.100 ( -4.207 -1.223 0.000) 4.381 9.938 ( 0.233 1.060 0.000) 1.086 9.947 ( -0.737 0.651 0.000) 0.983 10.479 ( 2.192 -1.565 0.000) 2.693 10.535 ( -3.306 -3.578 0.000) 4.872 11.036 ( 2.113 1.299 0.000) 2.480 11.082 ( -2.534 -0.106 0.000) 2.536 11.181 ( 4.968 5.813 0.000) 7.646 11.270 ( -4.405 6.171 0.000) 7.582 11.367 ( 4.738 -2.075 0.000) 5.173 11.468 ( -5.411 -1.911 0.000) 5.738 11.797 ( 1.810 -1.995 0.000) 2.694 11.857 ( -4.285 -4.557 0.000) 6.256 12.998 ( 3.209 3.040 0.000) 4.420 13.047 ( -1.793 0.823 0.000) 1.973 13.586 ( -0.147 -0.027 0.000) 0.150 13.587 ( -0.399 -0.005 0.000) 0.399 13.844 ( -0.785 -1.272 0.000) 1.495 13.859 ( -2.549 -1.724 0.000) 3.077 14.033 ( 7.001 3.025 0.000) 7.627 14.121 ( -1.934 3.061 0.000) 3.620 14.270 ( 6.996 -4.483 0.000) 8.309 14.395 ( -5.797 -6.050 0.000) 8.379 15.560 ( 0.322 2.703 0.000) 2.722 15.601 ( -3.847 0.874 0.000) 3.945 16.209 ( 7.622 5.576 0.000) 9.444 16.352 ( -6.863 5.797 0.000) 8.983 16.535 ( 9.858 -4.501 0.000) 10.837 16.729 ( -9.882 -6.278 0.000) 11.707 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 -9.067 0.000) 9.067 0.881 ( 0.000 9.067 0.000) 9.067 1.418 ( 0.000 -14.802 0.000) 14.802 1.418 ( 0.000 14.802 0.000) 14.802 1.816 ( 0.000 -35.913 0.000) 35.913 1.816 ( 0.000 35.913 0.000) 35.913 3.009 ( 0.000 -4.445 0.000) 4.445 3.009 ( 0.000 4.445 0.000) 4.445 3.359 ( 0.000 -6.959 0.000) 6.959 3.359 ( 0.000 6.959 0.000) 6.959 3.759 ( 0.000 -11.303 0.000) 11.303 3.759 ( 0.000 11.303 0.000) 11.303 4.104 ( 0.000 -4.424 0.000) 4.424 4.104 ( 0.000 4.424 0.000) 4.424 4.294 ( 0.000 -7.536 0.000) 7.536 4.294 ( 0.000 7.536 0.000) 7.536 4.308 ( 0.000 -0.952 0.000) 0.952 4.308 ( 0.000 0.952 0.000) 0.952 4.805 ( 0.000 -1.143 0.000) 1.143 4.805 ( 0.000 1.143 0.000) 1.143 5.225 ( 0.000 -7.968 0.000) 7.968 5.225 ( 0.000 7.968 0.000) 7.968 5.622 ( 0.000 -6.402 0.000) 6.402 5.622 ( 0.000 6.402 0.000) 6.402 6.140 ( 0.000 -8.123 0.000) 8.123 6.140 ( 0.000 8.123 0.000) 8.123 6.159 ( 0.000 -13.307 0.000) 13.307 6.159 ( 0.000 13.307 0.000) 13.307 6.546 ( 0.000 -12.023 0.000) 12.023 6.546 ( 0.000 12.023 0.000) 12.023 6.951 ( 0.000 -1.859 0.000) 1.859 6.951 ( 0.000 1.859 0.000) 1.859 7.550 ( 0.000 -4.451 0.000) 4.451 7.550 ( 0.000 4.451 0.000) 4.451 7.893 ( 0.000 -6.358 0.000) 6.358 7.893 ( 0.000 6.358 0.000) 6.358 8.074 ( 0.000 -1.762 0.000) 1.762 8.074 ( 0.000 1.762 0.000) 1.762 8.437 ( 0.000 -4.323 0.000) 4.323 8.437 ( 0.000 4.323 0.000) 4.323 8.909 ( 0.000 -4.961 0.000) 4.961 8.909 ( 0.000 4.961 0.000) 4.961 9.837 ( 0.000 -4.332 0.000) 4.332 9.837 ( 0.000 4.332 0.000) 4.332 9.956 ( 0.000 -2.056 0.000) 2.056 9.956 ( 0.000 2.056 0.000) 2.056 10.594 ( 0.000 -2.416 0.000) 2.416 10.594 ( 0.000 2.416 0.000) 2.416 11.016 ( 0.000 -0.807 0.000) 0.807 11.016 ( 0.000 0.807 0.000) 0.807 11.618 ( 0.000 -16.343 0.000) 16.343 11.618 ( 0.000 16.343 0.000) 16.343 11.748 ( 0.000 -4.285 0.000) 4.285 11.748 ( 0.000 4.285 0.000) 4.285 11.946 ( 0.000 -0.476 0.000) 0.476 11.946 ( 0.000 0.476 0.000) 0.476 12.125 ( 0.000 -2.073 0.000) 2.073 12.125 ( 0.000 2.073 0.000) 2.073 12.879 ( 0.000 -7.158 0.000) 7.158 12.879 ( 0.000 7.158 0.000) 7.158 13.782 ( 0.000 -1.827 0.000) 1.827 13.782 ( 0.000 1.827 0.000) 1.827 14.118 ( 0.000 -1.289 0.000) 1.289 14.118 ( 0.000 1.289 0.000) 1.289 14.932 ( 0.000 -4.133 0.000) 4.133 14.932 ( 0.000 4.133 0.000) 4.133 15.837 ( 0.000 -2.319 0.000) 2.319 15.837 ( 0.000 2.319 0.000) 2.319 15.911 ( 0.000 -5.203 0.000) 5.203 15.911 ( 0.000 5.203 0.000) 5.203 16.896 ( 0.000 -3.345 0.000) 3.345 16.896 ( 0.000 3.345 0.000) 3.345 ======================= Grid point 24 (14/108) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 12.877 -1.641 0.000) 12.981 1.046 ( 12.877 1.641 0.000) 12.981 1.374 ( 4.518 -5.048 0.000) 6.774 1.374 ( 4.518 5.048 0.000) 6.774 2.087 ( 21.134 -25.002 0.000) 32.738 2.087 ( 21.134 25.002 0.000) 32.738 3.073 ( 5.070 -5.984 0.000) 7.843 3.073 ( 5.070 5.984 0.000) 7.843 3.323 ( -2.731 -8.560 0.000) 8.985 3.323 ( -2.731 8.560 0.000) 8.985 3.773 ( 1.050 -9.755 0.000) 9.811 3.773 ( 1.050 9.755 0.000) 9.811 4.075 ( -9.287 -0.811 0.000) 9.322 4.075 ( -9.287 0.811 0.000) 9.322 4.131 ( -0.865 -2.833 0.000) 2.963 4.131 ( -0.865 2.833 0.000) 2.963 4.395 ( -0.076 -4.605 0.000) 4.606 4.395 ( -0.076 4.605 0.000) 4.606 4.794 ( -0.838 -0.107 0.000) 0.845 4.794 ( -0.838 0.107 0.000) 0.845 5.267 ( 4.166 -0.344 0.000) 4.180 5.267 ( 4.166 0.344 0.000) 4.180 5.593 ( -3.923 -2.830 0.000) 4.838 5.593 ( -3.923 2.830 0.000) 4.838 6.029 ( -6.416 -12.394 0.000) 13.956 6.029 ( -6.416 12.394 0.000) 13.956 6.244 ( 3.427 -6.383 0.000) 7.244 6.244 ( 3.427 6.383 0.000) 7.244 6.671 ( 12.653 -8.671 0.000) 15.339 6.671 ( 12.653 8.671 0.000) 15.339 6.946 ( -0.652 -1.035 0.000) 1.224 6.946 ( -0.652 1.035 0.000) 1.224 7.457 ( -9.150 -5.472 0.000) 10.662 7.457 ( -9.150 5.472 0.000) 10.662 7.897 ( 0.333 -6.653 0.000) 6.661 7.897 ( 0.333 6.653 0.000) 6.661 8.075 ( -0.346 -0.897 0.000) 0.961 8.075 ( -0.346 0.897 0.000) 0.961 8.394 ( -3.573 -3.908 0.000) 5.295 8.394 ( -3.573 3.908 0.000) 5.295 8.959 ( 4.489 -4.755 0.000) 6.539 8.959 ( 4.489 4.755 0.000) 6.539 9.539 ( -21.174 -3.051 0.000) 21.393 9.539 ( -21.174 3.051 0.000) 21.393 9.985 ( 0.522 -0.543 0.000) 0.754 9.985 ( 0.522 0.543 0.000) 0.754 10.680 ( 4.714 -0.001 0.000) 4.714 10.680 ( 4.714 0.001 0.000) 4.714 10.946 ( -4.591 -0.357 0.000) 4.605 10.946 ( -4.591 0.357 0.000) 4.605 11.509 ( -8.430 -6.464 0.000) 10.623 11.509 ( -8.430 6.464 0.000) 10.623 11.754 ( -0.554 -1.138 0.000) 1.265 11.754 ( -0.554 1.138 0.000) 1.265 11.922 ( -1.928 -3.754 0.000) 4.220 11.922 ( -1.928 3.754 0.000) 4.220 12.379 ( 20.206 -0.064 0.000) 20.206 12.379 ( 20.206 0.064 0.000) 20.206 13.040 ( 14.515 -2.769 0.000) 14.777 13.040 ( 14.515 2.769 0.000) 14.777 13.762 ( -1.978 -0.609 0.000) 2.069 13.762 ( -1.978 0.609 0.000) 2.069 14.069 ( -4.248 -1.032 0.000) 4.372 14.069 ( -4.248 1.032 0.000) 4.372 14.824 ( -9.665 -1.659 0.000) 9.806 14.824 ( -9.665 1.659 0.000) 9.806 15.849 ( 0.689 -3.163 0.000) 3.237 15.849 ( 0.689 3.163 0.000) 3.237 15.906 ( -0.255 -4.331 0.000) 4.339 15.906 ( -0.255 4.331 0.000) 4.339 16.907 ( 0.577 -2.259 0.000) 2.331 16.907 ( 0.577 2.259 0.000) 2.331 ======================= Grid point 26 (15/108) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 14.918 -12.292 0.000) 19.329 1.285 ( 14.918 12.292 0.000) 19.329 1.693 ( 24.209 -9.050 0.000) 25.846 1.693 ( 24.209 9.050 0.000) 25.846 2.470 ( 16.307 -11.243 0.000) 19.807 2.470 ( 16.307 11.243 0.000) 19.807 3.141 ( 2.143 -1.532 0.000) 2.634 3.141 ( 2.143 1.532 0.000) 2.634 3.299 ( 0.408 -8.261 0.000) 8.272 3.299 ( 0.408 8.261 0.000) 8.272 3.786 ( -0.110 -5.849 0.000) 5.850 3.786 ( -0.110 5.849 0.000) 5.850 3.894 ( -7.396 -5.084 0.000) 8.975 3.894 ( -7.396 5.084 0.000) 8.975 4.150 ( 1.070 -3.589 0.000) 3.745 4.150 ( 1.070 3.589 0.000) 3.745 4.332 ( -4.964 -6.483 0.000) 8.165 4.332 ( -4.964 6.483 0.000) 8.165 4.777 ( -0.988 -0.412 0.000) 1.071 4.777 ( -0.988 0.412 0.000) 1.071 5.368 ( 5.552 -1.368 0.000) 5.718 5.368 ( 5.552 1.368 0.000) 5.718 5.455 ( -9.930 -4.023 0.000) 10.714 5.455 ( -9.930 4.023 0.000) 10.714 5.910 ( -5.750 -11.695 0.000) 13.033 5.910 ( -5.750 11.695 0.000) 13.033 6.288 ( 1.539 -5.249 0.000) 5.470 6.288 ( 1.539 5.249 0.000) 5.470 6.912 ( -2.005 -0.009 0.000) 2.005 6.912 ( -2.005 0.009 0.000) 2.005 6.939 ( 8.188 -1.284 0.000) 8.288 6.939 ( 8.188 1.284 0.000) 8.288 7.275 ( -4.564 -2.050 0.000) 5.004 7.275 ( -4.564 2.050 0.000) 5.004 7.895 ( -0.997 -7.209 0.000) 7.277 7.895 ( -0.997 7.209 0.000) 7.277 8.043 ( -2.973 -0.007 0.000) 2.973 8.043 ( -2.973 0.007 0.000) 2.973 8.334 ( -2.303 -0.806 0.000) 2.440 8.334 ( -2.303 0.806 0.000) 2.440 9.043 ( 3.077 -5.674 0.000) 6.455 9.043 ( 3.077 5.674 0.000) 6.455 9.208 ( -11.757 -5.816 0.000) 13.117 9.208 ( -11.757 5.816 0.000) 13.117 9.985 ( -0.316 -1.262 0.000) 1.301 9.985 ( -0.316 1.262 0.000) 1.301 10.673 ( -4.792 -0.773 0.000) 4.854 10.673 ( -4.792 0.773 0.000) 4.854 10.936 ( 3.359 -0.219 0.000) 3.366 10.936 ( 3.359 0.219 0.000) 3.366 11.350 ( -7.570 -3.787 0.000) 8.464 11.350 ( -7.570 3.787 0.000) 8.464 11.716 ( -3.444 -0.033 0.000) 3.444 11.716 ( -3.444 0.033 0.000) 3.444 11.888 ( -1.708 -5.440 0.000) 5.702 11.888 ( -1.708 5.440 0.000) 5.702 12.729 ( 14.779 -0.183 0.000) 14.781 12.729 ( 14.779 0.183 0.000) 14.781 13.337 ( 14.895 -3.162 0.000) 15.227 13.337 ( 14.895 3.162 0.000) 15.227 13.715 ( -2.682 -0.085 0.000) 2.683 13.715 ( -2.682 0.085 0.000) 2.683 14.005 ( -1.312 -1.124 0.000) 1.728 14.005 ( -1.312 1.124 0.000) 1.728 14.622 ( -10.637 -0.020 0.000) 10.637 14.622 ( -10.637 0.020 0.000) 10.637 15.820 ( -3.562 -3.529 0.000) 5.014 15.820 ( -3.562 3.529 0.000) 5.014 15.943 ( 4.135 -3.528 0.000) 5.435 15.943 ( 4.135 3.528 0.000) 5.435 16.895 ( -2.117 -4.012 0.000) 4.537 16.895 ( -2.117 4.012 0.000) 4.537 ======================= Grid point 28 (16/108) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 20.586 -1.110 0.000) 20.616 1.638 ( 20.586 1.110 0.000) 20.616 2.174 ( 24.699 -7.023 0.000) 25.678 2.174 ( 24.699 7.023 0.000) 25.678 2.642 ( 2.210 -0.861 0.000) 2.372 2.642 ( 2.210 0.861 0.000) 2.372 3.215 ( 5.647 -3.662 0.000) 6.731 3.215 ( 5.647 3.662 0.000) 6.731 3.306 ( -0.232 -2.917 0.000) 2.926 3.306 ( -0.232 2.917 0.000) 2.926 3.695 ( -8.286 -6.070 0.000) 10.271 3.695 ( -8.286 6.070 0.000) 10.271 3.887 ( 5.774 -3.975 0.000) 7.010 3.887 ( 5.774 3.975 0.000) 7.010 4.145 ( -2.173 -0.826 0.000) 2.325 4.145 ( -2.173 0.826 0.000) 2.325 4.252 ( -2.774 -4.079 0.000) 4.933 4.252 ( -2.774 4.079 0.000) 4.933 4.773 ( 1.469 -3.740 0.000) 4.018 4.773 ( 1.469 3.740 0.000) 4.018 5.207 ( -14.245 -5.592 0.000) 15.304 5.207 ( -14.245 5.592 0.000) 15.304 5.477 ( 3.514 -2.812 0.000) 4.500 5.477 ( 3.514 2.812 0.000) 4.500 5.825 ( -2.397 -6.470 0.000) 6.899 5.825 ( -2.397 6.470 0.000) 6.899 6.310 ( 0.780 -1.470 0.000) 1.664 6.310 ( 0.780 1.470 0.000) 1.664 6.752 ( -14.025 -6.096 0.000) 15.293 6.752 ( -14.025 6.096 0.000) 15.293 6.925 ( -3.336 -0.131 0.000) 3.339 6.925 ( -3.336 0.131 0.000) 3.339 7.448 ( 15.727 -0.490 0.000) 15.735 7.448 ( 15.727 0.490 0.000) 15.735 7.848 ( -3.703 -5.272 0.000) 6.443 7.848 ( -3.703 5.272 0.000) 6.443 7.978 ( -3.456 -0.789 0.000) 3.544 7.978 ( -3.456 0.789 0.000) 3.544 8.300 ( -1.722 -0.166 0.000) 1.730 8.300 ( -1.722 0.166 0.000) 1.730 9.015 ( -3.393 -4.634 0.000) 5.744 9.015 ( -3.393 4.634 0.000) 5.744 9.131 ( 0.349 -0.640 0.000) 0.729 9.131 ( 0.349 0.640 0.000) 0.729 9.976 ( -0.600 -0.721 0.000) 0.938 9.976 ( -0.600 0.721 0.000) 0.938 10.572 ( -4.723 -3.714 0.000) 6.008 10.572 ( -4.723 3.714 0.000) 6.008 11.018 ( 4.476 -0.576 0.000) 4.513 11.018 ( 4.476 0.576 0.000) 4.513 11.236 ( -4.079 -3.026 0.000) 5.079 11.236 ( -4.079 3.026 0.000) 5.079 11.623 ( -6.003 -0.427 0.000) 6.018 11.623 ( -6.003 0.427 0.000) 6.018 11.854 ( -1.871 -4.804 0.000) 5.155 11.854 ( -1.871 4.804 0.000) 5.155 12.931 ( 6.834 -2.570 0.000) 7.301 12.931 ( 6.834 2.570 0.000) 7.301 13.593 ( 11.614 -5.207 0.000) 12.728 13.593 ( 11.614 5.207 0.000) 12.728 13.662 ( -2.222 -0.019 0.000) 2.222 13.662 ( -2.222 0.019 0.000) 2.222 14.017 ( 1.399 -0.897 0.000) 1.661 14.017 ( 1.399 0.897 0.000) 1.661 14.439 ( -7.958 -4.356 0.000) 9.073 14.439 ( -7.958 4.356 0.000) 9.073 15.738 ( -4.653 -2.269 0.000) 5.177 15.738 ( -4.653 2.269 0.000) 5.177 16.049 ( 6.755 -4.531 0.000) 8.134 16.049 ( 6.755 4.531 0.000) 8.134 16.825 ( -5.077 -5.181 0.000) 7.254 16.825 ( -5.077 5.181 0.000) 7.254 ======================= Grid point 30 (17/108) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 15.318 -2.119 0.000) 15.464 2.001 ( 15.318 2.119 0.000) 15.464 2.574 ( 11.915 -0.134 0.000) 11.916 2.574 ( 11.915 0.134 0.000) 11.916 2.681 ( 9.267 -0.500 0.000) 9.281 2.681 ( 9.267 0.500 0.000) 9.281 3.253 ( -2.979 -2.614 0.000) 3.963 3.253 ( -2.979 2.614 0.000) 3.963 3.336 ( 3.346 -1.029 0.000) 3.500 3.336 ( 3.346 1.029 0.000) 3.500 3.542 ( -6.562 -4.152 0.000) 7.765 3.542 ( -6.562 4.152 0.000) 7.765 3.989 ( -0.641 -2.898 0.000) 2.968 3.989 ( -0.641 2.898 0.000) 2.968 4.111 ( 3.202 -12.646 0.000) 13.045 4.111 ( 3.202 12.646 0.000) 13.045 4.225 ( -0.099 -3.043 0.000) 3.044 4.225 ( -0.099 3.043 0.000) 3.044 4.841 ( 1.569 -9.659 0.000) 9.786 4.841 ( 1.569 9.659 0.000) 9.786 4.939 ( -9.276 -5.293 0.000) 10.680 4.939 ( -9.276 5.293 0.000) 10.680 5.475 ( -3.478 -0.404 0.000) 3.501 5.475 ( -3.478 0.404 0.000) 3.501 5.845 ( 4.179 -1.326 0.000) 4.384 5.845 ( 4.179 1.326 0.000) 4.384 6.304 ( -2.688 -0.002 0.000) 2.688 6.304 ( -2.688 0.002 0.000) 2.688 6.477 ( -12.011 -1.842 0.000) 12.151 6.477 ( -12.011 1.842 0.000) 12.151 6.874 ( -2.113 -0.066 0.000) 2.114 6.874 ( -2.113 0.066 0.000) 2.114 7.716 ( 7.887 -6.897 0.000) 10.477 7.716 ( 7.887 6.897 0.000) 10.477 7.793 ( 1.771 -1.104 0.000) 2.087 7.793 ( 1.771 1.104 0.000) 2.087 7.917 ( -2.527 -1.739 0.000) 3.068 7.917 ( -2.527 1.739 0.000) 3.068 8.256 ( -3.116 -1.093 0.000) 3.302 8.256 ( -3.116 1.093 0.000) 3.302 8.989 ( 0.454 -2.257 0.000) 2.303 8.989 ( 0.454 2.257 0.000) 2.303 9.121 ( -1.639 -0.483 0.000) 1.709 9.121 ( -1.639 0.483 0.000) 1.709 9.964 ( -0.635 -0.307 0.000) 0.706 9.964 ( -0.635 0.307 0.000) 0.706 10.504 ( -2.480 -3.044 0.000) 3.927 10.504 ( -2.480 3.044 0.000) 3.927 11.075 ( 0.753 -1.816 0.000) 1.966 11.075 ( 0.753 1.816 0.000) 1.966 11.215 ( 2.482 -4.409 0.000) 5.060 11.215 ( 2.482 4.409 0.000) 5.060 11.504 ( -6.110 -1.348 0.000) 6.257 11.504 ( -6.110 1.348 0.000) 6.257 11.815 ( -2.147 -3.486 0.000) 4.094 11.815 ( -2.147 3.486 0.000) 4.094 13.017 ( 2.779 -2.763 0.000) 3.918 13.017 ( 2.779 2.763 0.000) 3.918 13.606 ( -1.918 -0.039 0.000) 1.919 13.606 ( -1.918 0.039 0.000) 1.919 13.800 ( 6.951 -0.888 0.000) 7.007 13.800 ( 6.951 0.888 0.000) 7.007 14.030 ( 1.131 -4.248 0.000) 4.396 14.030 ( 1.131 4.248 0.000) 4.396 14.331 ( -3.725 -6.622 0.000) 7.598 14.331 ( -3.725 6.622 0.000) 7.598 15.655 ( -3.776 -1.297 0.000) 3.993 15.655 ( -3.776 1.297 0.000) 3.993 16.195 ( 8.372 -5.278 0.000) 9.896 16.195 ( 8.372 5.278 0.000) 9.896 16.707 ( -7.191 -5.711 0.000) 9.183 16.707 ( -7.191 5.711 0.000) 9.183 ======================= Grid point 32 (18/108) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 3.111 -2.450 0.000) 3.959 2.171 ( 3.111 2.450 0.000) 3.959 2.698 ( 5.294 -2.341 0.000) 5.789 2.698 ( 5.294 2.341 0.000) 5.789 2.942 ( 10.408 -1.514 0.000) 10.517 2.942 ( 10.408 1.514 0.000) 10.517 3.168 ( -4.573 -1.132 0.000) 4.711 3.168 ( -4.573 1.132 0.000) 4.711 3.352 ( -0.863 -0.093 0.000) 0.868 3.352 ( -0.863 0.093 0.000) 0.868 3.464 ( -2.224 -2.369 0.000) 3.250 3.464 ( -2.224 2.369 0.000) 3.250 3.921 ( -2.619 -0.285 0.000) 2.634 3.921 ( -2.619 0.284 0.000) 2.634 4.198 ( 2.482 -3.169 0.000) 4.025 4.198 ( 2.482 3.169 0.000) 4.025 4.265 ( 3.943 -3.773 0.000) 5.458 4.265 ( 3.943 3.773 0.000) 5.458 4.646 ( -9.768 -4.756 0.000) 10.865 4.646 ( -9.768 4.756 0.000) 10.865 5.037 ( 7.211 -5.657 0.000) 9.165 5.037 ( 7.211 5.657 0.000) 9.165 5.381 ( -4.905 -1.741 0.000) 5.205 5.381 ( -4.905 1.741 0.000) 5.205 5.953 ( 6.379 -0.894 0.000) 6.441 5.953 ( 6.379 0.894 0.000) 6.441 6.154 ( -9.515 -2.401 0.000) 9.813 6.154 ( -9.515 2.401 0.000) 9.813 6.379 ( -0.816 -0.000 0.000) 0.816 6.379 ( -0.816 0.000 0.000) 0.816 6.845 ( -0.809 -0.077 0.000) 0.813 6.845 ( -0.809 0.077 0.000) 0.813 7.716 ( -1.036 -2.224 0.000) 2.453 7.716 ( -1.036 2.224 0.000) 2.453 7.846 ( -0.978 -1.257 0.000) 1.593 7.846 ( -0.978 1.257 0.000) 1.593 7.991 ( 8.016 -0.909 0.000) 8.067 7.991 ( 8.016 0.909 0.000) 8.067 8.177 ( -4.840 -1.254 0.000) 4.999 8.177 ( -4.840 1.254 0.000) 4.999 9.017 ( 1.984 -0.330 0.000) 2.011 9.017 ( 1.984 0.330 0.000) 2.011 9.078 ( -2.352 -0.087 0.000) 2.354 9.078 ( -2.352 0.087 0.000) 2.354 9.954 ( -0.278 -0.084 0.000) 0.290 9.954 ( -0.278 0.084 0.000) 0.290 10.473 ( -0.803 -1.153 0.000) 1.405 10.473 ( -0.803 1.153 0.000) 1.405 11.070 ( -0.429 -1.123 0.000) 1.202 11.070 ( -0.429 1.123 0.000) 1.202 11.297 ( 4.871 -2.125 0.000) 5.315 11.297 ( 4.871 2.125 0.000) 5.315 11.398 ( -4.881 -1.631 0.000) 5.146 11.398 ( -4.881 1.631 0.000) 5.146 11.780 ( -1.198 -1.345 0.000) 1.801 11.780 ( -1.198 1.345 0.000) 1.801 13.049 ( 0.749 -0.986 0.000) 1.238 13.049 ( 0.749 0.986 0.000) 1.238 13.586 ( -0.263 -0.001 0.000) 0.263 13.586 ( -0.263 0.001 0.000) 0.263 13.833 ( -1.087 -0.059 0.000) 1.089 13.833 ( -1.087 0.059 0.000) 1.089 14.115 ( 5.792 -2.370 0.000) 6.258 14.115 ( 5.792 2.370 0.000) 6.258 14.264 ( -3.592 -2.733 0.000) 4.514 14.264 ( -3.592 2.733 0.000) 4.514 15.603 ( -1.460 -0.422 0.000) 1.520 15.603 ( -1.460 0.422 0.000) 1.520 16.357 ( 7.856 -4.977 0.000) 9.300 16.357 ( 7.856 4.977 0.000) 9.300 16.561 ( -7.411 -5.127 0.000) 9.011 16.561 ( -7.411 5.127 0.000) 9.011 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 0.000 23.362) 23.362 0.724 ( 0.000 0.000 35.368) 35.368 0.991 ( 0.000 0.000 47.734) 47.734 1.838 ( 0.000 0.000 8.267) 8.267 2.426 ( 0.000 0.000 -11.882) 11.882 2.468 ( 0.000 0.000 9.722) 9.722 2.545 ( 0.000 0.000 0.344) 0.344 2.982 ( 0.000 0.000 11.539) 11.539 3.131 ( 0.000 0.000 2.052) 2.052 3.394 ( 0.000 0.000 -7.528) 7.528 3.811 ( 0.000 0.000 11.558) 11.558 3.924 ( 0.000 0.000 -3.174) 3.174 4.161 ( 0.000 0.000 -11.394) 11.394 4.180 ( 0.000 0.000 -0.627) 0.627 4.185 ( 0.000 0.000 2.663) 2.663 4.305 ( 0.000 0.000 0.461) 0.461 4.502 ( 0.000 0.000 -0.209) 0.209 4.585 ( 0.000 0.000 0.412) 0.412 4.603 ( 0.000 0.000 -6.983) 6.983 4.687 ( 0.000 0.000 3.820) 3.820 4.786 ( 0.000 0.000 -1.455) 1.455 5.349 ( 0.000 0.000 -8.238) 8.238 5.414 ( 0.000 0.000 7.339) 7.339 5.669 ( 0.000 0.000 0.369) 0.369 6.039 ( 0.000 0.000 20.210) 20.210 6.253 ( 0.000 0.000 0.213) 0.213 6.293 ( 0.000 0.000 -9.683) 9.683 6.353 ( 0.000 0.000 -2.471) 2.471 6.508 ( 0.000 0.000 0.959) 0.959 6.859 ( 0.000 0.000 -6.318) 6.318 6.862 ( 0.000 0.000 -4.697) 4.697 7.076 ( 0.000 0.000 2.455) 2.455 7.222 ( 0.000 0.000 0.530) 0.530 7.507 ( 0.000 0.000 -5.648) 5.648 7.793 ( 0.000 0.000 0.806) 0.806 7.912 ( 0.000 0.000 -6.797) 6.797 8.072 ( 0.000 0.000 -4.780) 4.780 8.113 ( 0.000 0.000 -7.021) 7.021 8.235 ( 0.000 0.000 -2.883) 2.883 8.496 ( 0.000 0.000 -2.566) 2.566 8.693 ( 0.000 0.000 -1.457) 1.457 8.876 ( 0.000 0.000 9.205) 9.205 9.048 ( 0.000 0.000 0.749) 0.749 9.650 ( 0.000 0.000 -7.174) 7.174 9.903 ( 0.000 0.000 -0.980) 0.980 10.033 ( 0.000 0.000 1.019) 1.019 10.476 ( 0.000 0.000 -1.453) 1.453 10.973 ( 0.000 0.000 -3.630) 3.630 11.010 ( 0.000 0.000 -6.605) 6.605 11.088 ( 0.000 0.000 -0.517) 0.517 11.134 ( 0.000 0.000 -0.581) 0.581 11.780 ( 0.000 0.000 -16.760) 16.760 11.811 ( 0.000 0.000 -9.046) 9.046 11.911 ( 0.000 0.000 -3.637) 3.637 11.920 ( 0.000 0.000 -6.672) 6.672 12.111 ( 0.000 0.000 1.298) 1.298 12.258 ( 0.000 0.000 24.984) 24.984 12.590 ( 0.000 0.000 19.119) 19.119 13.011 ( 0.000 0.000 3.323) 3.323 13.146 ( 0.000 0.000 9.984) 9.984 13.736 ( 0.000 0.000 -5.257) 5.257 13.760 ( 0.000 0.000 -1.080) 1.080 13.936 ( 0.000 0.000 4.466) 4.466 14.032 ( 0.000 0.000 -2.165) 2.165 14.808 ( 0.000 0.000 -0.045) 0.045 15.047 ( 0.000 0.000 0.814) 0.814 15.738 ( 0.000 0.000 -2.569) 2.569 15.865 ( 0.000 0.000 5.013) 5.013 15.907 ( 0.000 0.000 0.803) 0.803 16.059 ( 0.000 0.000 -1.077) 1.077 16.764 ( 0.000 0.000 -2.295) 2.295 16.959 ( 0.000 0.000 -1.723) 1.723 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 15.146 0.000 18.665) 24.037 0.733 ( 22.820 0.000 15.830) 27.773 1.516 ( 36.022 0.000 35.867) 50.833 1.936 ( 9.488 0.000 5.690) 11.063 2.228 ( -11.863 0.000 -3.700) 12.426 2.466 ( 0.227 0.000 10.036) 10.039 2.630 ( 9.448 0.000 -3.446) 10.057 3.082 ( -4.796 0.000 4.740) 6.743 3.199 ( 8.240 0.000 9.103) 12.279 3.392 ( -0.099 0.000 -6.372) 6.373 3.952 ( 3.706 0.000 -1.748) 4.098 3.979 ( -12.411 0.000 -4.070) 13.061 3.979 ( 8.499 0.000 -4.673) 9.699 4.167 ( -1.237 0.000 4.282) 4.457 4.197 ( -7.232 0.000 -2.848) 7.773 4.254 ( 0.724 0.000 -4.153) 4.216 4.469 ( -4.877 0.000 4.026) 6.324 4.513 ( -6.757 0.000 -5.890) 8.964 4.610 ( 6.013 0.000 -1.036) 6.101 4.690 ( -0.388 0.000 2.442) 2.473 5.051 ( 13.103 0.000 -18.092) 22.339 5.321 ( -1.266 0.000 -3.960) 4.157 5.466 ( 3.443 0.000 3.835) 5.154 5.651 ( -3.992 0.000 0.533) 4.027 5.911 ( -7.915 0.000 12.175) 14.522 6.150 ( -6.043 0.000 -0.703) 6.084 6.328 ( -1.431 0.000 -10.703) 10.798 6.460 ( -4.511 0.000 0.544) 4.543 6.474 ( 16.756 0.000 5.099) 17.515 6.791 ( -5.866 0.000 -1.616) 6.085 6.970 ( 5.152 0.000 -1.515) 5.370 7.102 ( 1.825 0.000 -0.190) 1.834 7.195 ( -2.237 0.000 0.145) 2.241 7.528 ( 2.104 0.000 -5.057) 5.477 7.721 ( -7.327 0.000 1.574) 7.495 7.907 ( -0.748 0.000 -5.739) 5.787 8.043 ( -4.695 0.000 -3.960) 6.142 8.076 ( 0.637 0.000 -6.937) 6.966 8.260 ( 1.435 0.000 -1.898) 2.379 8.492 ( -0.586 0.000 1.335) 1.458 8.697 ( 0.691 0.000 -2.834) 2.917 8.897 ( 1.860 0.000 5.784) 6.076 9.089 ( 3.916 0.000 -0.128) 3.918 9.543 ( -10.650 0.000 -4.765) 11.668 9.905 ( 0.220 0.000 -0.671) 0.706 10.033 ( -0.051 0.000 1.377) 1.378 10.486 ( 1.386 0.000 -6.017) 6.175 10.875 ( -5.467 0.000 -6.286) 8.331 10.954 ( -4.533 0.000 4.611) 6.466 11.090 ( 0.074 0.000 1.310) 1.312 11.096 ( -3.837 0.000 -1.641) 4.173 11.705 ( -5.892 0.000 -6.755) 8.963 11.828 ( -3.035 0.000 3.797) 4.860 11.950 ( -3.626 0.000 1.848) 4.070 11.976 ( 6.004 0.000 -5.621) 8.225 12.108 ( 1.767 0.000 -3.789) 4.181 12.120 ( 0.015 0.000 11.542) 11.542 12.647 ( -1.735 0.000 11.257) 11.390 13.039 ( 13.824 0.000 21.797) 25.811 13.220 ( 7.583 0.000 4.633) 8.886 13.715 ( -2.934 0.000 -3.575) 4.625 13.762 ( 0.965 0.000 -2.648) 2.819 13.971 ( 3.250 0.000 5.592) 6.468 14.109 ( 1.622 0.000 -0.881) 1.846 14.776 ( -3.469 0.000 -0.556) 3.513 14.965 ( -8.104 0.000 2.500) 8.481 15.706 ( -3.749 0.000 -3.794) 5.334 15.860 ( -0.354 0.000 3.815) 3.832 15.883 ( -5.846 0.000 -7.929) 9.851 15.940 ( 1.549 0.000 -0.036) 1.550 16.724 ( -3.896 0.000 -2.234) 4.491 17.156 ( 7.590 0.000 -9.140) 11.880 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 31.504 0.000 -4.867) 31.878 1.214 ( 26.213 0.000 10.329) 28.175 2.035 ( -4.404 0.000 0.507) 4.433 2.147 ( 10.992 0.000 -1.237) 11.062 2.217 ( 31.703 0.000 25.231) 40.518 2.517 ( 6.511 0.000 11.682) 13.374 2.814 ( 7.275 0.000 -0.081) 7.275 2.978 ( -3.476 0.000 2.756) 4.436 3.319 ( 6.209 0.000 11.491) 13.062 3.400 ( 1.211 0.000 -3.542) 3.744 3.728 ( -12.895 0.000 -2.816) 13.199 3.974 ( -0.971 0.000 -3.960) 4.077 4.053 ( -7.974 0.000 -2.774) 8.443 4.086 ( 2.605 0.000 -4.088) 4.847 4.167 ( 0.910 0.000 4.995) 5.078 4.204 ( -6.205 0.000 -4.280) 7.538 4.324 ( -12.186 0.000 -4.942) 13.150 4.422 ( -0.006 0.000 1.973) 1.973 4.652 ( -2.760 0.000 1.662) 3.222 4.745 ( 7.040 0.000 -4.353) 8.278 5.129 ( -5.079 0.000 -8.915) 10.260 5.323 ( 1.478 0.000 -0.391) 1.529 5.504 ( -0.397 0.000 1.257) 1.318 5.530 ( -5.229 0.000 -7.614) 9.237 5.780 ( -5.516 0.000 7.926) 9.657 6.153 ( 1.217 0.000 -4.621) 4.778 6.277 ( -3.749 0.000 -4.655) 5.977 6.359 ( -4.019 0.000 -4.402) 5.961 6.653 ( -5.622 0.000 0.977) 5.706 6.830 ( 16.708 0.000 4.900) 17.411 7.005 ( -0.726 0.000 3.669) 3.740 7.133 ( 1.664 0.000 -3.310) 3.705 7.163 ( -0.840 0.000 0.447) 0.951 7.530 ( -11.974 0.000 3.638) 12.515 7.584 ( 3.705 0.000 -4.470) 5.805 7.879 ( -1.996 0.000 -4.655) 5.065 7.967 ( -3.264 0.000 -4.637) 5.671 8.098 ( 1.350 0.000 -8.406) 8.514 8.270 ( -0.750 0.000 5.258) 5.311 8.466 ( -2.220 0.000 6.306) 6.686 8.733 ( 3.309 0.000 -4.118) 5.283 8.930 ( 1.212 0.000 -2.013) 2.350 9.174 ( 4.300 0.000 -0.730) 4.361 9.330 ( -9.712 0.000 -1.099) 9.774 9.912 ( 0.473 0.000 0.122) 0.488 10.029 ( -0.394 0.000 2.229) 2.263 10.489 ( -1.765 0.000 -7.195) 7.408 10.787 ( -3.440 0.000 -4.095) 5.348 10.912 ( -0.370 0.000 5.526) 5.538 11.007 ( -4.523 0.000 -2.480) 5.158 11.105 ( 1.978 0.000 3.609) 4.115 11.626 ( -3.297 0.000 -0.986) 3.441 11.660 ( -10.723 0.000 11.551) 15.761 11.809 ( -8.221 0.000 4.637) 9.439 11.993 ( -1.398 0.000 18.906) 18.958 12.138 ( -0.005 0.000 -4.518) 4.518 12.358 ( 16.268 0.000 -14.066) 21.506 12.696 ( 7.470 0.000 0.632) 7.496 13.352 ( 15.595 0.000 19.341) 24.845 13.416 ( 12.147 0.000 -3.685) 12.693 13.647 ( -3.632 0.000 -3.158) 4.812 13.771 ( -0.459 0.000 -1.307) 1.386 14.039 ( 3.396 0.000 6.403) 7.248 14.083 ( -2.729 0.000 3.314) 4.293 14.646 ( -11.272 0.000 0.098) 11.272 14.792 ( -7.891 0.000 4.360) 9.015 15.612 ( -5.265 0.000 -9.285) 10.674 15.812 ( -2.880 0.000 -10.711) 11.092 15.861 ( 0.736 0.000 0.972) 1.219 16.012 ( 5.343 0.000 -1.661) 5.596 16.629 ( -5.734 0.000 -2.160) 6.127 17.188 ( -2.715 0.000 -6.030) 6.613 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 24.744 0.000 5.641) 25.379 1.754 ( 22.366 0.000 -6.265) 23.227 2.011 ( 7.864 0.000 0.074) 7.864 2.339 ( 10.252 0.000 -5.133) 11.465 2.628 ( 0.315 0.000 9.970) 9.975 2.726 ( 13.987 0.000 10.313) 17.379 2.926 ( 16.605 0.000 16.057) 23.099 3.064 ( 8.210 0.000 -4.407) 9.318 3.434 ( 1.625 0.000 -0.704) 1.771 3.460 ( 8.224 0.000 10.323) 13.199 3.513 ( -8.958 0.000 -1.752) 9.128 3.873 ( -11.628 0.000 -5.580) 12.898 3.959 ( 0.953 0.000 0.040) 0.954 4.020 ( -11.857 0.000 -4.828) 12.802 4.079 ( -12.851 0.000 0.799) 12.876 4.107 ( 0.019 0.000 -3.393) 3.393 4.169 ( -0.359 0.000 -0.354) 0.504 4.463 ( 3.503 0.000 -1.118) 3.677 4.589 ( -3.175 0.000 -0.437) 3.205 4.888 ( 7.761 0.000 -6.635) 10.211 4.923 ( -13.708 0.000 1.827) 13.829 5.336 ( -3.709 0.000 -1.502) 4.002 5.447 ( -2.417 0.000 5.886) 6.363 5.477 ( -2.430 0.000 -15.841) 16.026 5.730 ( 0.627 0.000 1.412) 1.545 6.006 ( -12.139 0.000 -5.479) 13.318 6.271 ( -1.283 0.000 -2.731) 3.017 6.349 ( 3.195 0.000 -4.269) 5.333 6.521 ( -7.874 0.000 5.150) 9.408 6.957 ( -5.111 0.000 4.317) 6.691 7.126 ( 13.020 0.000 1.667) 13.127 7.145 ( -1.562 0.000 1.529) 2.186 7.176 ( 2.864 0.000 -5.706) 6.384 7.317 ( -8.077 0.000 6.266) 10.222 7.664 ( 4.196 0.000 -7.078) 8.228 7.856 ( 0.604 0.000 -1.204) 1.347 7.919 ( -1.681 0.000 -2.950) 3.396 8.109 ( -0.658 0.000 -6.597) 6.630 8.224 ( -4.042 0.000 9.761) 10.565 8.408 ( -3.646 0.000 4.980) 6.173 8.821 ( 5.639 0.000 -1.513) 5.839 8.941 ( 0.280 0.000 -7.902) 7.907 9.195 ( -4.817 0.000 1.061) 4.933 9.235 ( 1.714 0.000 0.535) 1.796 9.921 ( 0.489 0.000 0.925) 1.047 10.016 ( -0.921 0.000 3.147) 3.279 10.447 ( -1.490 0.000 -3.320) 3.639 10.736 ( -2.344 0.000 -0.668) 2.437 10.918 ( 0.845 0.000 1.319) 1.567 10.958 ( 0.016 0.000 -1.101) 1.101 11.156 ( 2.226 0.000 4.733) 5.230 11.485 ( -6.429 0.000 11.000) 12.741 11.513 ( -8.396 0.000 6.530) 10.636 11.725 ( -0.583 0.000 -1.822) 1.913 11.947 ( -3.477 0.000 21.681) 21.958 12.096 ( -4.252 0.000 -4.284) 6.035 12.623 ( 11.155 0.000 -9.180) 14.446 12.884 ( 10.157 0.000 -6.566) 12.094 13.578 ( -1.284 0.000 -5.050) 5.211 13.591 ( 9.535 0.000 10.553) 14.222 13.660 ( 9.858 0.000 -2.697) 10.221 13.742 ( -1.899 0.000 -0.863) 2.086 14.055 ( 0.475 0.000 3.353) 3.386 14.089 ( 1.934 0.000 5.458) 5.790 14.384 ( -14.314 0.000 4.627) 15.043 14.669 ( -5.706 0.000 1.355) 5.864 15.518 ( -4.323 0.000 -10.657) 11.500 15.744 ( -4.331 0.000 -8.046) 9.138 15.898 ( 3.220 0.000 -1.777) 3.678 16.141 ( 8.062 0.000 -3.958) 8.981 16.513 ( -6.347 0.000 -2.259) 6.737 17.089 ( -7.100 0.000 -5.234) 8.821 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 5.789 0.000 5.663) 8.099 2.148 ( 21.484 0.000 -1.086) 21.512 2.376 ( 11.943 0.000 -3.689) 12.500 2.534 ( 3.676 0.000 4.543) 5.844 2.569 ( 13.291 0.000 -3.712) 13.800 2.992 ( 12.682 0.000 6.080) 14.064 3.195 ( 5.118 0.000 5.553) 7.552 3.220 ( 9.123 0.000 -0.343) 9.130 3.381 ( -3.872 0.000 -2.143) 4.425 3.446 ( -2.395 0.000 1.073) 2.625 3.585 ( 2.742 0.000 9.640) 10.023 3.606 ( -14.115 0.000 -9.731) 17.144 3.802 ( -12.841 0.000 5.948) 14.152 3.844 ( -9.690 0.000 -0.990) 9.741 4.051 ( 8.058 0.000 1.953) 8.291 4.097 ( -0.246 0.000 -2.605) 2.617 4.206 ( 5.028 0.000 -5.785) 7.664 4.522 ( 2.393 0.000 -2.510) 3.468 4.558 ( 0.830 0.000 -1.485) 1.701 4.688 ( -8.972 0.000 3.158) 9.511 5.007 ( 0.956 0.000 -6.044) 6.119 5.187 ( -5.272 0.000 -1.255) 5.419 5.346 ( -12.800 0.000 -11.478) 17.192 5.442 ( -1.036 0.000 3.028) 3.200 5.798 ( 6.292 0.000 -0.105) 6.293 5.842 ( -2.776 0.000 -9.156) 9.568 6.202 ( -5.800 0.000 -9.862) 11.441 6.352 ( -9.805 0.000 6.498) 11.763 6.421 ( 3.622 0.000 2.980) 4.690 6.787 ( -11.085 0.000 8.484) 13.959 7.132 ( 1.014 0.000 1.691) 1.971 7.239 ( 3.579 0.000 -6.252) 7.204 7.243 ( -1.475 0.000 6.383) 6.551 7.309 ( 5.911 0.000 -0.547) 5.936 7.724 ( 2.775 0.000 -9.104) 9.517 7.907 ( 0.497 0.000 0.542) 0.735 7.926 ( 5.549 0.000 0.781) 5.604 8.070 ( -2.808 0.000 -2.817) 3.977 8.126 ( -5.765 0.000 9.742) 11.320 8.331 ( -4.455 0.000 0.934) 4.551 8.940 ( 6.582 0.000 2.101) 6.909 8.956 ( 1.425 0.000 -7.483) 7.617 9.119 ( -3.599 0.000 0.082) 3.600 9.234 ( -1.812 0.000 3.013) 3.516 9.931 ( 0.576 0.000 1.551) 1.654 9.995 ( -1.311 0.000 3.621) 3.851 10.454 ( 2.267 0.000 0.105) 2.269 10.685 ( -3.203 0.000 1.938) 3.743 10.944 ( 1.807 0.000 -1.392) 2.281 11.010 ( 4.952 0.000 0.944) 5.041 11.142 ( -3.700 0.000 1.831) 4.129 11.358 ( -7.143 0.000 6.314) 9.534 11.459 ( 3.619 0.000 13.338) 13.821 11.735 ( 0.997 0.000 -4.051) 4.172 11.857 ( -5.972 0.000 21.432) 22.249 11.987 ( -6.788 0.000 -4.887) 8.364 12.798 ( 7.559 0.000 -5.373) 9.274 13.014 ( 2.697 0.000 -5.139) 5.803 13.564 ( 0.471 0.000 -1.252) 1.338 13.675 ( -2.990 0.000 3.381) 4.514 13.757 ( 8.865 0.000 -1.028) 8.924 13.826 ( 4.383 0.000 -4.128) 6.021 14.081 ( 0.940 0.000 1.311) 1.613 14.127 ( -6.753 0.000 9.745) 11.856 14.158 ( 0.998 0.000 -2.418) 2.616 14.561 ( -5.804 0.000 -1.083) 5.904 15.459 ( -1.548 0.000 -8.715) 8.852 15.648 ( -5.597 0.000 -5.330) 7.729 15.984 ( 5.743 0.000 -3.260) 6.604 16.316 ( 10.110 0.000 -5.726) 11.619 16.387 ( -6.886 0.000 -2.627) 7.370 16.928 ( -9.538 0.000 -5.811) 11.169 ======================= Grid point 60 (24/108) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 8.724 0.000 7.405) 11.443 2.261 ( -10.061 0.000 7.333) 12.450 2.526 ( 17.730 0.000 -6.352) 18.834 2.741 ( -0.466 0.000 -4.282) 4.308 2.886 ( 18.700 0.000 -2.893) 18.923 3.152 ( -8.616 0.000 0.964) 8.669 3.177 ( 7.362 0.000 -0.326) 7.369 3.327 ( -2.556 0.000 -2.638) 3.673 3.345 ( -3.927 0.000 -1.505) 4.206 3.390 ( 8.728 0.000 1.139) 8.802 3.457 ( -5.557 0.000 -4.425) 7.104 3.540 ( -6.255 0.000 4.861) 7.922 3.586 ( -3.169 0.000 7.245) 7.908 3.686 ( -8.016 0.000 5.597) 9.776 4.093 ( 1.653 0.000 -3.611) 3.972 4.147 ( -2.166 0.000 -3.952) 4.507 4.358 ( 10.800 0.000 0.911) 10.838 4.526 ( -5.415 0.000 1.225) 5.552 4.645 ( 8.184 0.000 -1.386) 8.301 4.699 ( 12.954 0.000 -4.293) 13.647 4.847 ( -11.950 0.000 -1.304) 12.021 5.026 ( -18.714 0.000 -6.613) 19.848 5.256 ( 7.090 0.000 -4.692) 8.502 5.379 ( -5.267 0.000 -2.162) 5.693 5.890 ( 6.574 0.000 -11.966) 13.653 5.956 ( 9.768 0.000 2.903) 10.190 6.052 ( -9.265 0.000 -12.239) 15.350 6.154 ( -10.625 0.000 5.428) 11.931 6.493 ( 4.331 0.000 6.896) 8.144 6.602 ( -7.553 0.000 9.745) 12.329 7.171 ( 2.545 0.000 3.488) 4.318 7.215 ( -1.842 0.000 5.309) 5.619 7.307 ( 3.361 0.000 -5.187) 6.181 7.353 ( -0.812 0.000 -3.298) 3.397 7.806 ( 5.838 0.000 -5.403) 7.955 7.925 ( -5.583 0.000 -3.794) 6.750 7.940 ( 3.009 0.000 4.259) 5.215 8.019 ( -5.114 0.000 7.449) 9.036 8.111 ( 6.608 0.000 0.452) 6.623 8.234 ( -5.826 0.000 -0.772) 5.877 8.995 ( 2.618 0.000 -4.729) 5.406 9.053 ( -3.329 0.000 -2.094) 3.933 9.064 ( 6.235 0.000 4.429) 7.648 9.170 ( -4.635 0.000 4.747) 6.635 9.946 ( 1.001 0.000 2.375) 2.578 9.969 ( -1.345 0.000 3.272) 3.537 10.523 ( 4.534 0.000 2.192) 5.036 10.612 ( -4.418 0.000 2.918) 5.295 10.988 ( 2.932 0.000 -2.094) 3.603 11.058 ( -4.299 0.000 -0.999) 4.413 11.124 ( 6.331 0.000 2.842) 6.940 11.238 ( -5.772 0.000 4.655) 7.415 11.575 ( 7.499 0.000 16.516) 18.139 11.724 ( -7.685 0.000 19.467) 20.929 11.768 ( 2.936 0.000 -5.302) 6.061 11.857 ( -6.204 0.000 -5.450) 8.258 12.921 ( 5.381 0.000 -3.678) 6.518 13.003 ( -3.000 0.000 -3.242) 4.417 13.591 ( 1.930 0.000 1.352) 2.356 13.627 ( -1.991 0.000 2.653) 3.317 13.871 ( 2.280 0.000 1.910) 2.974 13.930 ( 8.510 0.000 -5.592) 10.183 13.958 ( -7.035 0.000 5.796) 9.115 14.054 ( -4.064 0.000 -3.221) 5.186 14.292 ( 8.209 0.000 -3.554) 8.945 14.440 ( -7.030 0.000 -2.983) 7.637 15.467 ( 2.367 0.000 -5.663) 6.138 15.542 ( -5.122 0.000 -4.223) 6.638 16.110 ( 7.161 0.000 -3.534) 7.986 16.250 ( -7.359 0.000 -3.159) 8.009 16.520 ( 11.066 0.000 -6.554) 12.862 16.732 ( -10.845 0.000 -6.473) 12.630 ======================= Grid point 66 (25/108) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 18.820 18.739) 26.558 0.924 ( 0.000 15.697 26.526) 30.822 1.264 ( 0.000 24.860 29.778) 38.791 1.647 ( 0.000 -13.568 9.921) 16.808 2.025 ( 0.000 -22.613 10.731) 25.031 2.376 ( 0.000 -10.791 -4.485) 11.686 2.838 ( 0.000 12.831 4.754) 13.683 3.001 ( 0.000 3.709 7.406) 8.283 3.212 ( 0.000 6.560 1.531) 6.736 3.388 ( 0.000 -0.767 -5.833) 5.883 3.768 ( 0.000 -2.479 9.832) 10.140 3.892 ( 0.000 1.017 -7.314) 7.384 4.023 ( 0.000 -7.189 -0.487) 7.206 4.125 ( 0.000 -5.409 -4.077) 6.774 4.322 ( 0.000 -5.720 0.003) 5.720 4.383 ( 0.000 -0.431 6.074) 6.089 4.399 ( 0.000 -6.445 0.808) 6.496 4.544 ( 0.000 -4.039 4.876) 6.332 4.624 ( 0.000 18.905 -17.057) 25.462 4.743 ( 0.000 3.602 0.466) 3.632 4.819 ( 0.000 0.659 -2.387) 2.477 5.226 ( 0.000 -9.469 -9.299) 13.272 5.608 ( 0.000 12.434 3.910) 13.034 5.790 ( 0.000 7.989 2.600) 8.402 6.041 ( 0.000 -0.489 12.430) 12.440 6.157 ( 0.000 -8.777 8.843) 12.460 6.247 ( 0.000 -2.868 -3.651) 4.642 6.325 ( 0.000 6.020 -0.242) 6.025 6.406 ( 0.000 -5.089 0.478) 5.112 6.751 ( 0.000 -9.053 -3.991) 9.894 6.875 ( 0.000 1.045 -5.221) 5.324 7.045 ( 0.000 -7.442 1.573) 7.607 7.360 ( 0.000 11.109 -2.684) 11.429 7.537 ( 0.000 2.100 -5.079) 5.496 7.795 ( 0.000 0.412 -0.412) 0.582 7.909 ( 0.000 -1.125 -8.580) 8.653 8.019 ( 0.000 -3.542 -3.925) 5.287 8.043 ( 0.000 -2.032 -5.719) 6.069 8.305 ( 0.000 5.151 -2.438) 5.699 8.480 ( 0.000 -2.067 -2.167) 2.995 8.895 ( 0.000 3.191 6.066) 6.855 9.026 ( 0.000 -2.032 1.839) 2.740 9.222 ( 0.000 24.148 -27.333) 36.472 9.628 ( 0.000 -2.124 -10.955) 11.159 9.924 ( 0.000 1.689 -0.308) 1.717 10.011 ( 0.000 -1.865 0.792) 2.026 10.518 ( 0.000 3.805 -0.146) 3.808 10.860 ( 0.000 -13.060 6.024) 14.383 10.970 ( 0.000 -1.815 -5.218) 5.524 10.973 ( 0.000 -1.575 -4.305) 4.584 11.259 ( 0.000 9.461 -3.866) 10.220 11.658 ( 0.000 -5.903 -11.852) 13.240 11.823 ( 0.000 -3.639 -3.343) 4.941 11.836 ( 0.000 -3.251 -5.088) 6.038 12.006 ( 0.000 3.531 -5.352) 6.411 12.053 ( 0.000 -0.948 3.939) 4.052 12.273 ( 0.000 1.469 25.557) 25.599 12.507 ( 0.000 -9.990 21.882) 24.054 12.896 ( 0.000 3.702 16.985) 17.384 13.116 ( 0.000 -2.811 10.659) 11.023 13.748 ( 0.000 -0.569 -1.641) 1.737 13.788 ( 0.000 -0.746 -5.559) 5.609 14.012 ( 0.000 4.052 -4.941) 6.389 14.047 ( 0.000 1.007 -2.965) 3.131 14.846 ( 0.000 3.373 0.172) 3.377 15.012 ( 0.000 -2.900 0.669) 2.976 15.771 ( 0.000 2.816 -2.110) 3.518 15.872 ( 0.000 1.281 4.834) 5.001 15.890 ( 0.000 -1.615 0.602) 1.723 16.014 ( 0.000 -3.793 -0.332) 3.807 16.797 ( 0.000 2.792 -2.509) 3.753 16.926 ( 0.000 -2.382 -2.258) 3.282 ======================= Grid point 67 (26/108) ======================= q-point: ( 0.09 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 3.681 14.716 18.371) 23.825 1.006 ( 18.417 16.256 12.837) 27.717 1.643 ( 22.797 2.874 21.351) 31.366 1.800 ( 14.235 -4.867 10.102) 18.122 1.906 ( -2.650 -16.155 9.265) 18.810 2.523 ( 10.116 -4.009 0.409) 10.889 2.833 ( 2.115 12.921 1.895) 13.230 3.155 ( 5.857 2.888 9.465) 11.499 3.171 ( -0.235 3.652 1.467) 3.942 3.385 ( -0.168 -0.904 -4.656) 4.746 3.805 ( 1.098 -6.208 0.974) 6.379 3.912 ( 2.266 -1.928 -4.212) 5.157 4.035 ( 1.322 -3.319 1.125) 3.746 4.086 ( -6.081 -6.131 -3.772) 9.423 4.153 ( -10.968 -4.263 -2.844) 12.106 4.218 ( -5.312 -5.614 -0.234) 7.732 4.378 ( -4.548 4.570 5.292) 8.341 4.593 ( 0.364 -4.077 5.766) 7.071 4.685 ( -2.563 4.903 -4.961) 7.431 4.762 ( 3.430 8.032 -2.788) 9.168 4.942 ( 10.809 -4.916 -12.385) 17.157 5.239 ( 1.298 -5.150 -8.566) 10.078 5.593 ( -1.746 9.140 4.320) 10.259 5.760 ( -4.827 5.614 4.706) 8.773 5.936 ( -7.859 1.942 12.418) 14.824 6.113 ( 0.035 -1.267 -0.938) 1.577 6.219 ( -2.845 -7.809 -5.966) 10.231 6.363 ( -3.028 -4.844 -2.069) 6.076 6.523 ( 14.780 4.010 2.421) 15.504 6.813 ( 1.918 -2.624 -4.529) 5.575 6.931 ( 6.436 -2.001 -1.013) 6.815 7.044 ( 0.310 -6.674 2.340) 7.079 7.280 ( -6.982 9.123 -0.454) 11.497 7.531 ( -1.437 -0.618 -2.712) 3.131 7.749 ( -3.800 2.845 -1.092) 4.871 7.910 ( -0.692 -0.054 -7.912) 7.943 7.989 ( -2.515 -3.146 -4.752) 6.229 8.040 ( 0.233 -3.524 -7.719) 8.489 8.313 ( 0.659 5.225 0.791) 5.326 8.477 ( -0.454 -1.611 1.053) 1.977 8.891 ( -1.312 5.012 0.637) 5.220 9.006 ( -3.837 4.468 -5.343) 7.952 9.133 ( -1.548 10.559 -5.191) 11.867 9.508 ( -11.419 -3.272 -7.200) 13.890 9.938 ( 0.711 2.538 -0.608) 2.705 10.018 ( 0.373 -1.175 0.982) 1.576 10.507 ( 0.426 1.668 -5.126) 5.407 10.863 ( -1.354 -7.477 4.546) 8.854 10.876 ( -5.085 -0.027 -5.103) 7.204 10.991 ( 1.201 -1.927 -0.023) 2.270 11.214 ( -4.146 5.857 -2.711) 7.671 11.709 ( -0.315 0.421 -4.721) 4.750 11.816 ( -4.181 -2.792 4.586) 6.805 11.868 ( 4.343 -5.624 -4.462) 8.390 11.959 ( -2.800 0.742 1.886) 3.456 12.137 ( -3.182 1.279 15.142) 15.525 12.160 ( 5.733 2.618 -3.797) 7.358 12.545 ( 5.188 -6.600 8.371) 11.855 13.043 ( 13.882 2.032 14.056) 19.860 13.316 ( 13.034 4.407 13.214) 19.077 13.700 ( -2.881 -1.048 -3.709) 4.812 13.804 ( -0.209 1.250 -3.091) 3.341 13.948 ( -0.458 -0.432 1.671) 1.785 14.114 ( 1.423 0.328 -1.043) 1.794 14.746 ( -8.855 -1.155 -0.475) 8.943 14.943 ( -6.852 -1.642 3.023) 7.667 15.750 ( -2.666 3.338 -3.005) 5.223 15.860 ( -1.406 0.713 0.639) 1.701 15.890 ( -2.104 -0.995 -2.587) 3.480 15.933 ( -1.219 -0.718 -1.129) 1.810 16.704 ( -4.551 -1.088 -5.352) 7.109 17.090 ( 7.226 -3.610 -1.643) 8.243 ======================= Grid point 68 (27/108) ======================= q-point: ( 0.18 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 24.952 2.688 3.061) 25.282 1.408 ( 20.828 7.442 4.294) 22.531 1.816 ( 3.732 -13.060 5.887) 14.804 1.991 ( 16.351 -10.351 4.271) 19.817 2.337 ( 26.835 8.791 17.625) 33.287 2.665 ( 4.996 7.444 7.764) 11.860 2.951 ( 9.509 6.810 -4.170) 12.417 3.062 ( -5.246 9.874 6.286) 12.827 3.310 ( 5.992 -0.360 9.475) 11.216 3.392 ( 1.194 -1.241 -1.524) 2.300 3.728 ( -8.982 -0.171 -3.352) 9.589 3.908 ( -2.222 -6.445 -0.998) 6.890 3.967 ( -6.486 -7.366 -5.888) 11.445 3.993 ( -2.147 -4.380 -2.055) 5.293 4.121 ( 4.328 -5.418 1.561) 7.108 4.162 ( -3.039 -3.622 -3.675) 5.988 4.272 ( -5.662 3.058 3.041) 7.117 4.500 ( -8.040 -0.029 2.493) 8.418 4.637 ( -2.618 0.345 -4.073) 4.854 4.810 ( 2.435 3.617 -0.168) 4.363 5.126 ( 7.198 -3.178 -13.865) 15.942 5.235 ( -2.791 0.353 -3.392) 4.407 5.530 ( -6.118 3.365 0.746) 7.022 5.619 ( -6.626 2.058 4.494) 8.267 5.814 ( -4.336 3.633 8.419) 10.143 6.104 ( -6.821 -7.437 -4.247) 10.948 6.186 ( 3.552 -1.531 -2.905) 4.838 6.312 ( -1.908 -3.342 -6.478) 7.535 6.752 ( -2.224 4.482 -3.389) 6.044 6.851 ( 11.624 -0.599 -0.118) 11.640 6.986 ( -0.556 -2.275 -0.132) 2.346 7.057 ( -2.635 1.453 5.573) 6.334 7.216 ( 3.086 0.440 -0.380) 3.141 7.450 ( -5.823 -3.035 3.616) 7.496 7.711 ( 0.631 6.493 -2.740) 7.076 7.869 ( -2.907 -0.613 -7.602) 8.162 7.942 ( -2.303 -1.321 -4.963) 5.628 8.064 ( 1.830 -4.765 -7.576) 9.135 8.313 ( -1.207 5.106 5.944) 7.929 8.455 ( -1.920 -1.032 5.686) 6.089 8.835 ( -2.188 6.886 -5.993) 9.387 8.963 ( -1.006 2.198 -4.334) 4.963 9.171 ( 2.832 0.022 0.406) 2.862 9.296 ( -8.413 -2.923 -1.110) 8.975 9.945 ( 0.164 2.561 0.100) 2.569 10.021 ( -0.051 -0.698 2.009) 2.128 10.507 ( -1.254 1.505 -7.018) 7.286 10.737 ( -5.967 -4.228 -2.024) 7.588 10.893 ( 1.612 0.355 0.486) 1.720 11.040 ( 3.599 0.961 2.980) 4.771 11.127 ( -3.807 2.135 -0.050) 4.366 11.656 ( -9.670 -0.416 11.443) 14.987 11.671 ( -3.699 2.991 -0.156) 4.760 11.824 ( -6.066 0.926 3.418) 7.024 11.959 ( -0.683 -4.438 6.540) 7.933 12.056 ( -1.927 -2.764 10.338) 10.873 12.431 ( 16.319 4.014 -14.940) 22.487 12.705 ( 9.925 0.451 -2.825) 10.329 13.330 ( 15.073 -0.522 8.256) 17.194 13.494 ( 5.217 4.092 4.284) 7.894 13.667 ( 0.057 2.619 1.795) 3.176 13.787 ( -1.309 1.264 -0.953) 2.054 13.982 ( 1.867 -3.982 5.262) 6.858 14.105 ( -0.717 0.871 3.879) 4.040 14.565 ( -9.409 -5.949 -2.858) 11.493 14.774 ( -9.963 -0.991 5.681) 11.512 15.667 ( -5.233 3.926 -7.123) 9.671 15.809 ( -2.933 -0.208 -8.896) 9.370 15.877 ( 1.098 1.397 0.241) 1.794 15.986 ( 4.760 -2.370 -1.605) 5.554 16.622 ( -4.425 -0.495 -6.451) 7.839 17.132 ( -2.068 -3.753 -0.976) 4.395 ======================= Grid point 69 (28/108) ======================= q-point: ( 0.27 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 24.235 -3.504 0.821) 24.500 1.730 ( 16.072 -3.388 -1.921) 16.537 2.068 ( 20.021 4.088 3.655) 20.758 2.267 ( 11.986 -4.991 -4.194) 13.644 2.683 ( 7.398 3.192 9.688) 12.600 2.753 ( 3.392 4.805 12.133) 13.484 3.056 ( 8.323 5.034 4.028) 10.528 3.154 ( 9.583 9.605 0.646) 13.583 3.398 ( 2.779 -1.896 2.781) 4.365 3.427 ( 1.704 -3.970 5.890) 7.304 3.552 ( -7.343 3.590 -1.504) 8.311 3.834 ( -6.080 -4.214 -2.155) 7.706 3.889 ( -0.582 -2.376 -0.102) 2.449 3.950 ( -4.658 -5.549 -1.399) 7.379 4.064 ( -6.049 1.473 -4.044) 7.424 4.165 ( -0.305 1.001 -3.090) 3.262 4.196 ( -1.868 -0.471 -0.121) 1.930 4.370 ( -3.413 -5.131 0.727) 6.205 4.602 ( -0.572 1.579 -3.812) 4.165 4.878 ( 5.022 -1.772 -2.100) 5.725 5.031 ( -12.715 7.394 0.043) 14.708 5.299 ( 5.469 -1.604 -8.089) 9.896 5.344 ( -11.452 -3.329 -1.481) 12.018 5.539 ( -3.826 -0.408 -1.122) 4.008 5.787 ( 0.977 4.509 3.741) 5.940 5.940 ( -8.581 -4.895 -3.177) 10.378 6.224 ( -0.932 -2.712 -2.719) 3.951 6.310 ( 1.789 -2.566 -6.708) 7.402 6.610 ( -9.390 6.021 2.311) 11.392 6.918 ( -5.713 -8.934 2.028) 10.796 6.945 ( -2.753 -1.879 1.371) 3.604 7.094 ( -0.491 -2.690 4.385) 5.168 7.262 ( 7.559 -1.027 -6.602) 10.089 7.442 ( 3.926 11.249 3.250) 12.350 7.762 ( 3.524 5.826 -3.570) 7.688 7.831 ( 0.048 -2.987 -2.459) 3.869 7.901 ( -1.711 0.097 -3.753) 4.126 8.086 ( -0.029 -4.251 -3.387) 5.436 8.257 ( -4.548 4.185 8.646) 10.628 8.404 ( -3.323 -0.423 4.209) 5.380 8.847 ( 3.096 2.452 -2.725) 4.798 8.942 ( -0.747 -0.086 -8.701) 8.734 9.164 ( -2.824 -2.741 1.125) 4.093 9.240 ( 0.467 0.385 2.252) 2.332 9.947 ( 0.062 1.936 0.704) 2.061 10.015 ( -0.542 -0.105 3.107) 3.155 10.471 ( -1.624 2.247 -2.971) 4.064 10.656 ( -2.601 -5.598 -0.589) 6.201 10.926 ( 1.800 2.055 -1.304) 3.027 11.047 ( -1.469 3.584 -0.500) 3.905 11.154 ( 4.647 0.822 6.307) 7.877 11.488 ( -6.797 0.323 11.622) 13.467 11.550 ( -8.351 2.395 4.922) 9.985 11.751 ( -1.459 2.056 -1.871) 3.140 11.914 ( -3.685 -3.897 10.722) 11.989 12.011 ( -3.450 -4.307 7.378) 9.214 12.701 ( 11.041 5.023 -10.835) 16.264 12.891 ( 8.816 0.494 -6.073) 10.717 13.519 ( 1.236 -2.473 -1.767) 3.281 13.613 ( 11.518 -0.396 -0.479) 11.535 13.706 ( 3.164 4.025 5.445) 7.474 13.754 ( -1.463 0.897 0.555) 1.804 13.995 ( 0.509 -3.355 4.132) 5.347 14.106 ( -0.358 -0.542 2.272) 2.363 14.386 ( -9.488 0.616 3.647) 10.183 14.601 ( -7.358 -5.034 2.009) 9.139 15.574 ( -4.184 3.885 -8.377) 10.138 15.744 ( -4.028 -0.047 -6.713) 7.829 15.924 ( 3.788 2.509 -2.599) 5.235 16.105 ( 7.628 -3.246 -3.713) 9.084 16.530 ( -5.283 1.340 -6.678) 8.620 17.041 ( -6.952 -3.614 -1.632) 8.003 ======================= Grid point 70 (29/108) ======================= q-point: ( 0.36 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 12.072 -0.139 1.873) 12.217 2.147 ( 20.908 -0.814 2.017) 21.021 2.399 ( 7.299 0.659 -0.942) 7.389 2.484 ( 14.416 -0.034 -7.766) 16.375 2.687 ( 3.644 6.959 5.471) 9.573 2.924 ( 10.346 -3.870 8.585) 13.989 3.204 ( 3.074 0.656 1.350) 3.421 3.276 ( 3.547 1.002 -1.207) 3.878 3.372 ( -5.018 -3.673 1.068) 6.310 3.402 ( -3.046 -0.021 -0.498) 3.086 3.505 ( -1.203 -0.596 4.575) 4.768 3.709 ( -7.861 -1.044 2.855) 8.428 3.810 ( -6.810 5.495 -1.228) 8.836 3.873 ( -2.320 4.228 -0.530) 4.852 4.055 ( 5.937 -0.537 1.634) 6.181 4.139 ( -1.493 3.219 -2.036) 4.091 4.202 ( 3.157 -1.133 -5.393) 6.351 4.377 ( 2.811 -10.015 -1.858) 10.567 4.623 ( 1.641 5.730 -1.693) 6.196 4.787 ( -9.612 6.581 0.718) 11.671 4.990 ( 4.397 -3.042 -4.182) 6.788 5.077 ( -13.126 -7.291 -0.407) 15.021 5.383 ( -0.650 3.080 -9.043) 9.575 5.435 ( -5.832 -1.593 -1.986) 6.363 5.766 ( -1.668 -2.464 -3.040) 4.253 5.898 ( 4.077 4.478 -0.649) 6.091 6.174 ( -4.042 -2.346 -6.023) 7.624 6.294 ( -6.844 -3.236 -3.353) 8.280 6.468 ( -2.307 3.278 6.464) 7.605 6.757 ( -9.165 -3.916 10.478) 14.461 6.916 ( -0.464 -8.028 -2.911) 8.552 7.027 ( -3.339 -9.556 3.514) 10.716 7.449 ( 7.175 6.916 -10.092) 14.183 7.524 ( 5.380 11.492 3.099) 13.061 7.775 ( -0.346 3.740 -6.249) 7.291 7.867 ( 0.703 -2.629 -0.788) 2.834 7.934 ( 5.325 0.693 1.387) 5.546 8.059 ( -2.167 -3.082 3.680) 5.267 8.156 ( -5.231 3.738 5.974) 8.777 8.335 ( -3.800 0.302 0.671) 3.871 8.928 ( 4.283 -0.720 -0.791) 4.414 8.952 ( 2.355 -0.300 -6.257) 6.692 9.113 ( -2.562 -0.695 1.350) 2.978 9.225 ( -2.305 -0.589 3.341) 4.101 9.949 ( 0.255 1.381 1.391) 1.976 10.000 ( -1.020 0.431 3.691) 3.853 10.467 ( 1.262 1.314 0.903) 2.033 10.620 ( -1.792 -4.802 1.980) 5.495 10.961 ( 1.906 2.049 -1.911) 3.388 11.040 ( 0.381 0.383 -0.974) 1.114 11.205 ( 0.211 6.134 4.166) 7.418 11.394 ( -6.802 2.161 5.419) 8.961 11.449 ( 2.854 -0.822 13.230) 13.560 11.737 ( -0.342 0.252 -4.073) 4.095 11.825 ( -5.484 -3.195 13.672) 15.074 11.920 ( -5.822 -4.216 3.473) 7.983 12.861 ( 6.250 4.565 -6.189) 9.910 13.005 ( 2.750 -0.826 -4.976) 5.745 13.550 ( 2.145 -1.076 -2.200) 3.256 13.676 ( -2.394 0.248 3.470) 4.223 13.763 ( 4.587 0.529 1.165) 4.763 13.860 ( 7.155 2.882 -4.751) 9.059 14.000 ( -1.344 -3.906 5.145) 6.598 14.098 ( 2.086 -4.893 -2.744) 5.985 14.218 ( -7.414 4.951 3.898) 9.730 14.491 ( -4.932 -5.382 -0.145) 7.302 15.516 ( -1.657 3.946 -6.758) 7.999 15.657 ( -4.832 0.689 -4.358) 6.544 16.019 ( 6.081 3.227 -4.599) 8.279 16.273 ( 9.836 -3.724 -4.852) 11.583 16.419 ( -6.311 2.591 -6.755) 9.601 16.881 ( -9.526 -3.713 -3.072) 10.676 ======================= Grid point 71 (30/108) ======================= q-point: ( 0.45 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 9.207 4.303 6.258) 11.935 2.289 ( -6.369 1.680 8.187) 10.508 2.548 ( 14.364 1.860 -6.324) 15.804 2.717 ( 2.201 -2.121 -4.978) 5.841 2.889 ( 14.539 0.383 -2.519) 14.761 3.069 ( 4.725 -5.126 1.530) 7.137 3.165 ( -6.220 -0.104 0.078) 6.221 3.233 ( -7.464 -5.949 -0.296) 9.550 3.321 ( -2.535 -0.346 -3.375) 4.235 3.333 ( 0.277 -2.511 -2.080) 3.272 3.503 ( 1.862 -0.459 4.774) 5.145 3.567 ( -5.387 -0.006 4.112) 6.777 3.741 ( -0.016 10.973 2.210) 11.193 3.799 ( -4.791 10.922 3.498) 12.429 4.126 ( 1.816 2.291 -3.913) 4.884 4.164 ( 0.167 0.472 -4.138) 4.169 4.313 ( 8.151 -3.975 0.973) 9.121 4.438 ( -1.026 -8.064 1.399) 8.249 4.567 ( 2.113 -0.242 -1.647) 2.690 4.771 ( -13.459 -4.900 -1.221) 14.375 4.845 ( 9.403 6.949 -3.439) 12.187 5.038 ( -6.226 -0.066 -6.387) 8.919 5.297 ( 0.220 2.564 -3.287) 4.174 5.370 ( -4.379 -0.497 -3.797) 5.818 5.834 ( 8.324 -3.528 -8.700) 12.547 6.001 ( 6.069 3.057 1.522) 6.964 6.038 ( -11.158 -1.182 -11.163) 15.827 6.123 ( -7.135 -2.106 3.778) 8.343 6.502 ( 3.974 0.864 7.844) 8.835 6.603 ( -6.699 0.036 11.023) 12.899 6.929 ( 1.736 -11.488 -1.328) 11.694 6.972 ( -2.570 -11.893 1.136) 12.220 7.535 ( 3.490 10.208 -4.012) 11.510 7.586 ( -0.801 11.204 -1.469) 11.328 7.818 ( 5.138 1.054 -5.172) 7.366 7.894 ( 0.697 -2.026 -0.061) 2.144 7.945 ( -1.646 -0.641 1.156) 2.111 8.008 ( -4.980 -0.725 6.003) 7.833 8.148 ( 5.250 3.056 2.613) 6.613 8.253 ( -4.954 1.525 0.229) 5.189 8.983 ( 2.640 -0.951 -4.313) 5.146 9.019 ( 0.937 -2.083 -1.986) 3.027 9.083 ( 1.491 0.796 3.643) 4.016 9.158 ( -4.352 -0.833 4.467) 6.292 9.959 ( 0.800 1.034 2.401) 2.734 9.979 ( -1.156 0.779 3.375) 3.652 10.512 ( 3.185 -0.638 3.385) 4.692 10.574 ( -2.982 -2.815 3.826) 5.609 10.998 ( 1.974 0.922 -2.178) 3.081 11.033 ( -1.394 -0.780 -1.899) 2.481 11.219 ( 2.270 6.269 2.769) 7.219 11.286 ( -4.494 3.491 3.855) 6.873 11.563 ( 7.519 -1.131 16.505) 18.173 11.705 ( -6.719 -1.810 16.477) 17.886 11.747 ( 1.296 -1.515 -3.942) 4.417 11.809 ( -5.059 -3.570 -2.957) 6.861 12.955 ( 3.855 2.626 -4.247) 6.309 13.009 ( -1.693 0.452 -3.693) 4.088 13.593 ( 2.223 0.119 1.490) 2.679 13.632 ( -1.998 0.319 3.005) 3.623 13.840 ( 3.029 -1.702 0.491) 3.508 13.918 ( -5.268 -2.440 3.705) 6.887 13.972 ( 6.428 2.784 -4.375) 8.259 14.096 ( -5.991 2.673 -2.927) 7.183 14.230 ( 8.829 -4.855 -3.184) 10.567 14.383 ( -6.779 -4.148 -1.487) 8.085 15.515 ( 1.514 3.339 -4.468) 5.779 15.570 ( -4.011 1.991 -3.420) 5.635 16.149 ( 7.233 3.414 -5.672) 9.805 16.288 ( -7.156 3.185 -6.088) 9.921 16.475 ( 10.942 -3.834 -5.401) 12.791 16.685 ( -10.815 -3.821 -4.474) 12.312 ======================= Grid point 77 (31/108) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 -6.792 19.407) 20.561 1.116 ( 0.000 6.792 19.407) 20.561 1.532 ( 0.000 -9.722 11.228) 14.852 1.532 ( 0.000 9.722 11.228) 14.852 1.942 ( 0.000 -24.960 11.625) 27.534 1.942 ( 0.000 24.960 11.625) 27.534 3.036 ( 0.000 -3.614 2.752) 4.542 3.036 ( 0.000 3.614 2.752) 4.542 3.342 ( 0.000 -4.243 -1.416) 4.474 3.342 ( 0.000 4.243 -1.416) 4.474 3.812 ( 0.000 -8.150 4.539) 9.329 3.812 ( 0.000 8.150 4.539) 9.329 3.980 ( 0.000 -6.192 -7.856) 10.003 3.980 ( 0.000 6.192 -7.856) 10.003 4.282 ( 0.000 -2.248 -0.841) 2.400 4.282 ( 0.000 2.248 -0.841) 2.400 4.458 ( 0.000 -2.461 8.665) 9.007 4.458 ( 0.000 2.461 8.665) 9.007 4.797 ( 0.000 -0.972 -0.592) 1.138 4.797 ( 0.000 0.972 -0.592) 1.138 4.982 ( 0.000 -12.859 -13.910) 18.943 4.982 ( 0.000 12.859 -13.910) 18.943 5.839 ( 0.000 -6.784 10.433) 12.445 5.839 ( 0.000 6.784 10.433) 12.445 6.036 ( 0.000 -2.689 -4.994) 5.672 6.036 ( 0.000 2.689 -4.994) 5.672 6.273 ( 0.000 -4.991 7.410) 8.935 6.273 ( 0.000 4.991 7.410) 8.935 6.522 ( 0.000 -10.886 -2.020) 11.071 6.522 ( 0.000 10.886 -2.020) 11.071 6.921 ( 0.000 -3.656 -2.409) 4.378 6.921 ( 0.000 3.656 -2.409) 4.378 7.529 ( 0.000 -4.076 -2.543) 4.804 7.529 ( 0.000 4.076 -2.543) 4.804 7.839 ( 0.000 -3.961 -5.224) 6.556 7.839 ( 0.000 3.961 -5.224) 6.556 8.004 ( 0.000 -1.217 -5.656) 5.785 8.004 ( 0.000 1.217 -5.656) 5.785 8.411 ( 0.000 -4.275 -2.308) 4.858 8.411 ( 0.000 4.275 -2.308) 4.858 8.966 ( 0.000 -3.320 4.315) 5.444 8.966 ( 0.000 3.320 4.315) 5.444 9.538 ( 0.000 -7.272 -20.654) 21.896 9.538 ( 0.000 7.272 -20.654) 21.896 9.966 ( 0.000 -2.113 0.288) 2.132 9.966 ( 0.000 2.113 0.288) 2.132 10.637 ( 0.000 -6.560 3.850) 7.606 10.637 ( 0.000 6.560 3.850) 7.606 10.954 ( 0.000 -0.045 -4.981) 4.981 10.954 ( 0.000 0.045 -4.981) 4.981 11.485 ( 0.000 -9.153 -9.423) 13.136 11.485 ( 0.000 9.153 -9.423) 13.136 11.780 ( 0.000 -0.110 0.099) 0.148 11.780 ( 0.000 0.110 0.099) 0.148 12.052 ( 0.000 -0.268 -2.672) 2.686 12.052 ( 0.000 0.268 -2.672) 2.686 12.337 ( 0.000 -4.475 25.524) 25.913 12.337 ( 0.000 4.475 25.524) 25.913 13.024 ( 0.000 -4.559 12.537) 13.340 13.024 ( 0.000 4.559 12.537) 13.340 13.755 ( 0.000 -0.873 -2.917) 3.045 13.755 ( 0.000 0.873 -2.917) 3.045 14.056 ( 0.000 -0.089 -4.692) 4.692 14.056 ( 0.000 0.089 -4.692) 4.692 14.933 ( 0.000 -3.803 0.457) 3.830 14.933 ( 0.000 3.803 0.457) 3.830 15.839 ( 0.000 -3.044 -0.653) 3.113 15.839 ( 0.000 3.044 -0.653) 3.113 15.926 ( 0.000 -3.714 2.169) 4.300 15.926 ( 0.000 3.714 2.169) 4.300 16.865 ( 0.000 -1.615 -2.726) 3.169 16.865 ( 0.000 1.615 -2.726) 3.169 ======================= Grid point 79 (32/108) ======================= q-point: ( 0.09 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.844 -0.000 12.456) 12.591 1.283 ( 8.056 -0.000 12.825) 15.145 1.487 ( 7.733 0.000 11.096) 13.525 1.526 ( 1.362 0.000 13.209) 13.279 2.099 ( 20.052 -0.000 8.829) 21.910 2.312 ( 22.870 0.000 13.210) 26.411 3.018 ( 1.346 0.000 -0.924) 1.633 3.156 ( 6.700 0.000 3.999) 7.802 3.326 ( -0.637 -0.000 0.510) 0.816 3.328 ( -1.280 0.000 0.056) 1.282 3.789 ( -3.179 0.000 3.438) 4.683 3.822 ( 0.896 -0.000 1.451) 1.706 3.922 ( -1.687 0.000 -7.200) 7.395 4.028 ( -0.956 0.000 -5.482) 5.565 4.113 ( -6.224 0.000 -2.885) 6.860 4.177 ( -11.384 -0.000 2.878) 11.742 4.433 ( -0.085 0.000 4.382) 4.383 4.544 ( -1.237 0.000 9.867) 9.944 4.739 ( -3.987 0.000 -3.780) 5.494 4.815 ( 1.347 0.000 0.232) 1.367 4.946 ( 3.868 0.000 -15.161) 15.647 5.163 ( 9.088 0.000 -11.557) 14.702 5.734 ( -6.806 0.000 11.572) 13.425 5.815 ( -6.624 0.000 9.656) 11.709 5.960 ( -3.323 0.000 -4.261) 5.403 6.091 ( -3.142 0.000 -0.669) 3.212 6.141 ( -1.364 0.000 -0.806) 1.584 6.286 ( -1.745 0.000 0.683) 1.873 6.599 ( 9.647 0.000 -3.666) 10.320 6.734 ( 12.129 0.000 -0.814) 12.157 6.925 ( 4.288 0.000 3.607) 5.603 6.950 ( 1.104 -0.000 -1.476) 1.843 7.419 ( -9.369 -0.000 -2.101) 9.602 7.495 ( -5.113 0.000 0.976) 5.205 7.825 ( -0.379 0.000 -6.168) 6.180 7.869 ( 2.219 -0.000 -4.435) 4.959 7.948 ( -4.819 0.000 -7.875) 9.232 8.002 ( -0.598 0.000 -6.555) 6.582 8.407 ( 0.682 0.000 0.898) 1.127 8.429 ( 0.194 -0.000 0.411) 0.455 8.972 ( -0.354 -0.000 -1.488) 1.529 8.978 ( 1.253 0.000 3.502) 3.719 9.351 ( -10.444 0.000 -10.596) 14.878 9.418 ( -13.735 0.000 -12.313) 18.446 9.981 ( 1.422 -0.000 1.038) 1.760 9.994 ( 0.601 0.000 -1.180) 1.325 10.533 ( -1.193 0.000 -3.719) 3.906 10.766 ( 1.986 0.000 2.423) 3.133 10.877 ( -3.314 0.000 -3.303) 4.679 10.974 ( 1.528 0.000 -0.018) 1.528 11.299 ( -8.084 0.000 -7.945) 11.335 11.700 ( 4.769 0.000 1.004) 4.873 11.770 ( -1.400 0.000 0.784) 1.604 11.804 ( 3.960 0.000 -2.582) 4.727 11.972 ( -6.616 0.000 4.975) 8.278 12.155 ( -2.342 0.000 13.334) 13.538 12.192 ( 4.782 0.000 1.413) 4.986 12.462 ( 10.682 0.000 3.792) 11.335 13.076 ( 10.950 0.000 9.813) 14.704 13.364 ( 20.306 0.000 19.036) 27.834 13.687 ( -3.458 0.000 -4.087) 5.353 13.795 ( 1.118 0.000 -0.469) 1.212 13.960 ( -4.292 0.000 -4.018) 5.879 14.118 ( 1.173 0.000 -1.094) 1.604 14.741 ( -14.434 0.000 -1.650) 14.528 14.919 ( -5.059 0.000 4.107) 6.516 15.815 ( -3.032 -0.000 -3.535) 4.658 15.843 ( -0.789 0.000 -2.224) 2.359 15.889 ( -0.967 0.000 0.135) 0.977 15.910 ( -0.999 0.000 1.508) 1.809 16.694 ( -5.912 0.000 -8.378) 10.254 17.051 ( 6.220 0.000 2.278) 6.625 ======================= Grid point 81 (33/108) ======================= q-point: ( 0.18 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 16.940 -0.000 1.201) 16.983 1.370 ( 6.625 0.000 7.218) 9.798 1.775 ( 18.951 -0.000 5.353) 19.693 1.784 ( 20.520 0.000 10.500) 23.050 2.490 ( 18.359 -0.000 8.183) 20.100 2.701 ( 14.989 0.000 12.708) 19.651 3.045 ( 1.385 0.000 -3.270) 3.551 3.241 ( 2.929 0.000 3.766) 4.771 3.330 ( 1.528 -0.000 4.095) 4.371 3.342 ( 2.242 0.000 3.523) 4.176 3.701 ( -4.035 0.000 -4.208) 5.830 3.820 ( -6.551 0.000 -3.006) 7.208 3.891 ( -2.381 0.000 1.398) 2.761 3.900 ( -1.651 -0.000 0.819) 1.843 4.069 ( 0.549 0.000 -5.410) 5.438 4.110 ( -0.406 -0.000 -2.727) 2.757 4.348 ( -6.540 0.000 2.092) 6.866 4.447 ( -7.562 0.000 8.047) 11.043 4.657 ( -3.862 0.000 -7.334) 8.289 4.835 ( 0.302 0.000 1.854) 1.878 5.100 ( 10.457 0.000 -14.257) 17.681 5.255 ( -0.640 0.000 -7.599) 7.626 5.599 ( -14.455 0.000 6.341) 15.785 5.619 ( -4.835 -0.000 7.584) 8.994 5.908 ( -3.158 0.000 -0.814) 3.262 5.943 ( -6.979 -0.000 4.405) 8.252 6.212 ( 4.086 0.000 -7.142) 8.228 6.245 ( -2.345 0.000 -2.778) 3.635 6.788 ( -2.663 -0.000 -6.653) 7.167 6.828 ( 10.685 0.000 -4.292) 11.515 6.958 ( 0.606 0.000 -1.019) 1.185 7.124 ( 6.664 -0.000 10.372) 12.328 7.199 ( -11.385 0.000 -1.179) 11.446 7.414 ( 2.165 0.000 6.569) 6.916 7.822 ( -0.068 0.000 -5.778) 5.779 7.840 ( -5.768 -0.000 -7.239) 9.256 7.923 ( 3.033 -0.000 -3.196) 4.406 7.988 ( -0.898 0.000 -9.071) 9.115 8.406 ( -2.741 -0.000 7.602) 8.081 8.419 ( -0.019 0.000 3.368) 3.368 8.930 ( -3.309 0.000 -8.298) 8.933 8.986 ( -1.663 0.000 -4.512) 4.808 9.180 ( -7.950 0.000 -1.490) 8.088 9.243 ( -1.124 0.000 1.233) 1.668 9.988 ( -0.726 -0.000 -0.184) 0.749 10.004 ( 0.870 0.000 2.084) 2.258 10.532 ( -0.064 0.000 -6.792) 6.792 10.676 ( -7.197 0.000 -2.292) 7.553 10.905 ( 3.152 0.000 1.440) 3.466 11.046 ( 5.913 0.000 4.870) 7.660 11.161 ( -6.135 0.000 -5.369) 8.153 11.647 ( -7.032 0.000 12.017) 13.923 11.705 ( -5.564 0.000 3.983) 6.843 11.854 ( -4.722 0.000 0.401) 4.739 11.868 ( 0.383 -0.000 -1.689) 1.732 12.040 ( -3.620 0.000 20.311) 20.631 12.478 ( 16.864 0.000 -15.216) 22.714 12.708 ( 12.657 0.000 -6.344) 14.158 13.328 ( 14.327 0.000 5.267) 15.265 13.532 ( -2.640 0.000 0.505) 2.688 13.738 ( 6.784 0.000 13.922) 15.487 13.796 ( -1.021 0.000 1.407) 1.738 13.919 ( 0.190 -0.000 -1.069) 1.086 14.113 ( -0.672 0.000 4.364) 4.416 14.486 ( -9.692 0.000 -5.502) 11.145 14.763 ( -10.798 0.000 6.627) 12.670 15.722 ( -5.693 -0.000 -6.449) 8.602 15.803 ( -2.653 0.000 -5.667) 6.257 15.923 ( 2.136 -0.000 -0.838) 2.295 15.925 ( 3.981 0.000 -1.485) 4.249 16.616 ( -3.193 0.000 -11.121) 11.570 17.085 ( -2.186 0.000 3.796) 4.380 ======================= Grid point 83 (34/108) ======================= q-point: ( 0.27 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 16.268 0.000 0.807) 16.288 1.675 ( 24.829 0.000 -1.192) 24.857 2.132 ( 17.100 -0.000 -1.621) 17.177 2.192 ( 20.531 0.000 4.935) 21.116 2.733 ( 7.046 -0.000 8.453) 11.004 2.823 ( -0.384 0.000 11.254) 11.261 3.114 ( 6.619 -0.000 -3.720) 7.593 3.279 ( -1.397 0.000 1.409) 1.985 3.376 ( 3.513 0.000 6.937) 7.776 3.379 ( 0.543 -0.000 5.559) 5.586 3.641 ( -8.564 -0.000 -2.445) 8.907 3.709 ( 4.052 0.000 -1.812) 4.439 3.851 ( -1.661 0.000 1.891) 2.517 3.956 ( 5.529 -0.000 2.040) 5.893 4.061 ( -2.779 -0.000 -7.000) 7.531 4.089 ( -1.675 0.000 -4.724) 5.012 4.241 ( -3.933 -0.000 -0.997) 4.058 4.302 ( -6.364 0.000 4.073) 7.556 4.635 ( 2.567 0.000 -7.863) 8.271 4.839 ( 0.710 0.000 1.593) 1.744 5.136 ( -10.916 0.000 -2.691) 11.243 5.279 ( -3.357 0.000 -3.237) 4.664 5.316 ( -3.740 -0.000 -4.898) 6.162 5.522 ( -6.031 -0.000 -0.509) 6.052 5.826 ( -5.269 -0.000 1.073) 5.377 5.890 ( 1.648 0.000 5.052) 5.314 6.195 ( -2.979 0.000 -5.070) 5.880 6.275 ( 2.243 0.000 -6.575) 6.947 6.715 ( -4.105 -0.000 -2.010) 4.571 6.777 ( -13.233 0.000 0.261) 13.235 6.927 ( -3.927 0.000 3.242) 5.093 7.057 ( -7.942 0.000 7.570) 10.972 7.251 ( 14.180 0.000 -10.493) 17.640 7.613 ( 11.807 0.000 6.553) 13.503 7.748 ( -3.418 -0.000 -3.775) 5.092 7.831 ( 1.837 0.000 -2.833) 3.377 7.963 ( -1.818 -0.000 -8.459) 8.652 7.970 ( 1.470 0.000 0.339) 1.509 8.324 ( -5.647 0.000 10.805) 12.191 8.395 ( -2.440 0.000 2.309) 3.360 8.894 ( -0.036 0.000 -6.139) 6.139 8.936 ( -1.504 -0.000 -9.104) 9.228 9.117 ( -0.984 0.000 3.042) 3.197 9.245 ( -0.044 0.000 3.338) 3.338 9.975 ( -0.546 -0.000 0.377) 0.664 10.013 ( 0.052 0.000 3.229) 3.230 10.530 ( 0.132 -0.000 -3.046) 3.049 10.558 ( -4.619 0.000 -0.601) 4.658 10.960 ( 2.596 0.000 -0.365) 2.621 11.068 ( -3.332 -0.000 -2.637) 4.249 11.185 ( 7.915 0.000 6.985) 10.556 11.496 ( -7.790 0.000 12.838) 15.017 11.573 ( -7.601 -0.000 4.669) 8.921 11.790 ( -2.415 0.000 -3.641) 4.369 11.835 ( -3.240 -0.000 -1.529) 3.583 11.975 ( -4.218 0.000 20.463) 20.893 12.763 ( 12.021 -0.000 -12.626) 17.433 12.897 ( 6.983 0.000 -5.205) 8.710 13.491 ( 0.153 0.000 -4.319) 4.321 13.604 ( 13.572 0.000 -0.244) 13.575 13.767 ( -1.095 -0.000 2.661) 2.878 13.770 ( -1.228 0.000 9.791) 9.868 13.948 ( 1.881 0.000 0.802) 2.045 14.085 ( -3.340 0.000 1.099) 3.516 14.404 ( -0.072 0.000 0.485) 0.490 14.528 ( -12.996 0.000 4.960) 13.911 15.624 ( -4.198 0.000 -6.618) 7.837 15.743 ( -3.695 0.000 -4.973) 6.195 15.985 ( 4.281 -0.000 -4.176) 5.980 16.034 ( 7.406 0.000 -2.892) 7.951 16.550 ( -3.996 0.000 -12.220) 12.857 16.991 ( -7.176 0.000 2.997) 7.777 ======================= Grid point 85 (35/108) ======================= q-point: ( 0.36 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 17.333 0.000 -1.177) 17.373 2.127 ( 19.796 0.000 4.445) 20.289 2.397 ( 10.562 -0.000 -5.332) 11.831 2.504 ( 10.987 0.000 -5.327) 12.211 2.814 ( 2.214 -0.000 10.715) 10.941 2.846 ( 7.121 0.000 6.379) 9.560 3.219 ( -3.342 0.000 -1.238) 3.564 3.246 ( 4.909 0.000 -2.145) 5.357 3.338 ( -4.846 0.000 3.672) 6.080 3.402 ( -1.906 0.000 1.107) 2.204 3.515 ( -3.987 0.000 0.773) 4.062 3.657 ( -6.796 0.000 8.219) 10.665 3.929 ( 0.406 -0.000 -0.885) 0.974 4.024 ( -1.443 -0.000 -0.696) 1.603 4.028 ( 5.988 0.000 -5.849) 8.371 4.083 ( 3.239 0.000 -3.867) 5.044 4.209 ( 0.588 -0.000 -0.726) 0.934 4.236 ( -0.151 -0.000 0.235) 0.279 4.742 ( 5.429 0.000 -5.844) 7.976 4.880 ( 2.345 -0.000 -0.173) 2.352 4.890 ( -11.412 0.000 -1.880) 11.566 4.992 ( -13.679 -0.000 2.731) 13.949 5.405 ( -5.676 0.000 -4.171) 7.044 5.428 ( 2.840 -0.000 -9.295) 9.719 5.730 ( -3.029 -0.000 -2.308) 3.808 5.964 ( 4.895 -0.000 4.853) 6.893 6.137 ( -2.759 0.000 -3.721) 4.633 6.255 ( -6.877 0.000 -9.602) 11.811 6.536 ( -7.465 -0.000 7.663) 10.698 6.652 ( -2.528 0.000 6.181) 6.678 6.863 ( -3.077 0.000 0.647) 3.144 6.906 ( -7.225 -0.000 2.470) 7.635 7.512 ( 11.216 0.000 -13.757) 17.749 7.729 ( 2.300 0.000 1.881) 2.971 7.735 ( 1.909 -0.000 0.574) 1.994 7.882 ( -1.378 -0.000 -7.916) 8.035 7.967 ( 5.540 -0.000 5.043) 7.491 7.968 ( -1.681 0.000 3.999) 4.338 8.213 ( -5.136 0.000 7.401) 9.009 8.339 ( -3.086 0.000 0.376) 3.109 8.921 ( 2.416 0.000 -3.033) 3.878 8.947 ( 2.194 0.000 -6.858) 7.200 9.099 ( -1.031 0.000 3.662) 3.805 9.218 ( -2.843 0.000 3.459) 4.477 9.968 ( -0.066 -0.000 1.196) 1.198 10.006 ( -0.669 0.000 3.788) 3.847 10.506 ( -0.963 -0.000 2.028) 2.245 10.536 ( 0.257 0.000 1.659) 1.679 11.002 ( 1.686 0.000 -2.509) 3.023 11.027 ( -1.094 -0.000 -1.979) 2.261 11.330 ( 5.379 0.000 5.238) 7.508 11.373 ( -4.738 -0.000 9.887) 10.964 11.452 ( -2.793 0.000 8.443) 8.893 11.752 ( -1.680 0.000 -4.486) 4.791 11.758 ( -4.467 -0.000 0.495) 4.495 11.873 ( -6.140 -0.000 17.303) 18.360 12.928 ( 5.543 -0.000 -7.828) 9.591 12.987 ( 2.736 0.000 -3.843) 4.717 13.535 ( 3.395 0.000 -2.878) 4.451 13.681 ( -2.355 0.000 3.919) 4.572 13.772 ( 1.995 0.000 2.128) 2.917 13.915 ( 13.283 -0.000 -1.510) 13.369 13.956 ( -1.542 0.000 0.780) 1.728 14.010 ( -3.092 0.000 -2.175) 3.780 14.297 ( -10.532 0.000 -0.120) 10.533 14.402 ( -1.567 -0.000 3.199) 3.562 15.567 ( -1.761 0.000 -4.953) 5.257 15.666 ( -4.104 0.000 -3.329) 5.284 16.084 ( 6.017 -0.000 -7.340) 9.491 16.203 ( 10.030 0.000 -2.803) 10.414 16.459 ( -5.514 0.000 -12.391) 13.563 16.826 ( -9.799 0.000 1.285) 9.883 ======================= Grid point 87 (36/108) ======================= q-point: ( 0.45 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 9.426 0.000 4.471) 10.433 2.302 ( -0.921 -0.000 9.715) 9.758 2.582 ( 9.672 -0.000 -6.776) 11.810 2.680 ( 4.461 0.000 -5.436) 7.032 2.898 ( 7.710 0.000 -2.297) 8.045 3.011 ( 8.017 -0.000 3.180) 8.625 3.155 ( -10.988 0.000 -1.425) 11.080 3.174 ( -3.217 -0.000 0.903) 3.341 3.301 ( 0.006 -0.000 -2.482) 2.482 3.317 ( -3.868 0.000 -4.020) 5.579 3.500 ( 1.092 0.000 3.643) 3.803 3.544 ( -4.214 -0.000 6.707) 7.920 3.927 ( 1.496 -0.000 3.099) 3.441 3.972 ( -2.887 -0.000 2.654) 3.921 4.131 ( 2.197 -0.000 -5.195) 5.640 4.137 ( 1.492 0.000 -5.982) 6.165 4.266 ( 5.430 0.000 1.187) 5.558 4.312 ( 5.129 0.000 2.430) 5.675 4.596 ( -8.095 0.000 -2.580) 8.496 4.684 ( -13.025 -0.000 0.995) 13.063 4.963 ( 8.042 -0.000 -5.905) 9.977 5.003 ( 3.922 -0.000 -3.971) 5.581 5.321 ( -2.219 -0.000 -3.821) 4.418 5.371 ( -6.395 0.000 -3.606) 7.342 5.789 ( 8.821 0.000 -8.702) 12.390 6.018 ( -13.016 0.000 -9.741) 16.258 6.049 ( 2.163 -0.000 4.475) 4.970 6.094 ( -1.933 -0.000 0.627) 2.032 6.522 ( 3.282 -0.000 10.064) 10.585 6.599 ( -3.681 0.000 12.478) 13.009 6.809 ( -2.287 0.000 -3.554) 4.227 6.813 ( -1.946 -0.000 -1.770) 2.631 7.650 ( 4.667 0.000 -8.336) 9.554 7.727 ( -2.930 0.000 -2.485) 3.842 7.842 ( 6.931 -0.000 -1.754) 7.150 7.855 ( 0.668 -0.000 -2.206) 2.305 7.922 ( -1.757 -0.000 6.287) 6.528 8.000 ( -4.510 0.000 2.129) 4.987 8.194 ( 3.821 0.000 4.421) 5.843 8.276 ( -3.817 -0.000 1.242) 4.014 8.970 ( 2.317 -0.000 -2.403) 3.338 8.989 ( 1.011 0.000 -5.217) 5.314 9.092 ( 1.063 0.000 5.101) 5.210 9.148 ( -4.002 0.000 3.689) 5.443 9.974 ( 0.616 -0.000 2.390) 2.468 9.990 ( -0.958 0.000 3.455) 3.586 10.510 ( 0.996 -0.000 4.458) 4.568 10.531 ( -0.863 0.000 4.678) 4.757 11.019 ( 0.059 0.000 -2.241) 2.242 11.020 ( 0.232 -0.000 -3.088) 3.097 11.318 ( -1.134 0.000 5.311) 5.431 11.325 ( -1.782 -0.000 0.814) 1.959 11.541 ( 7.851 0.000 16.165) 17.970 11.672 ( -5.117 0.000 10.253) 11.459 11.728 ( -0.469 0.000 -4.028) 4.055 11.760 ( -4.571 -0.000 4.618) 6.498 12.995 ( 1.972 -0.000 -5.040) 5.412 13.012 ( 0.131 0.000 -3.940) 3.942 13.594 ( 2.590 0.000 1.603) 3.046 13.636 ( -2.089 0.000 3.456) 4.038 13.820 ( 2.538 0.000 0.319) 2.558 13.887 ( -4.445 0.000 2.924) 5.320 14.017 ( 4.137 -0.000 -4.974) 6.470 14.128 ( -4.834 0.000 -6.959) 8.473 14.159 ( 8.700 0.000 -0.144) 8.701 14.325 ( -6.525 0.000 0.925) 6.590 15.558 ( 0.830 0.000 -3.200) 3.306 15.596 ( -3.037 0.000 -2.556) 3.970 16.209 ( 6.888 -0.000 -9.693) 11.892 16.340 ( -6.377 0.000 -10.272) 12.091 16.410 ( 10.948 0.000 -3.139) 11.389 16.624 ( -11.080 0.000 -0.604) 11.097 ======================= Grid point 110 (37/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 0.000 23.409) 23.409 1.394 ( 0.000 0.000 30.648) 30.648 1.864 ( 0.000 0.000 37.598) 37.598 2.062 ( 0.000 0.000 13.484) 13.484 2.279 ( 0.000 0.000 -1.616) 1.616 2.569 ( 0.000 0.000 2.228) 2.228 2.718 ( 0.000 0.000 14.226) 14.226 3.160 ( 0.000 0.000 0.749) 0.749 3.180 ( 0.000 0.000 8.799) 8.799 3.235 ( 0.000 0.000 -7.725) 7.725 3.828 ( 0.000 0.000 -5.974) 5.974 3.877 ( 0.000 0.000 -16.072) 16.072 4.110 ( 0.000 0.000 16.810) 16.810 4.114 ( 0.000 0.000 -5.276) 5.276 4.275 ( 0.000 0.000 -6.411) 6.411 4.288 ( 0.000 0.000 7.487) 7.487 4.455 ( 0.000 0.000 -4.250) 4.250 4.561 ( 0.000 0.000 5.109) 5.109 4.592 ( 0.000 0.000 0.089) 0.089 4.651 ( 0.000 0.000 -7.116) 7.116 4.773 ( 0.000 0.000 1.075) 1.075 5.325 ( 0.000 0.000 4.572) 4.572 5.594 ( 0.000 0.000 9.911) 9.911 5.644 ( 0.000 0.000 -4.022) 4.022 6.084 ( 0.000 0.000 -9.046) 9.046 6.249 ( 0.000 0.000 -0.868) 0.868 6.309 ( 0.000 0.000 -1.582) 1.582 6.446 ( 0.000 0.000 19.352) 19.352 6.508 ( 0.000 0.000 -1.109) 1.109 6.705 ( 0.000 0.000 -7.959) 7.959 6.744 ( 0.000 0.000 -6.294) 6.294 7.129 ( 0.000 0.000 2.413) 2.413 7.214 ( 0.000 0.000 -1.858) 1.858 7.317 ( 0.000 0.000 -12.936) 12.936 7.700 ( 0.000 0.000 -14.439) 14.439 7.778 ( 0.000 0.000 -3.005) 3.005 7.970 ( 0.000 0.000 -5.141) 5.141 8.009 ( 0.000 0.000 -2.240) 2.240 8.158 ( 0.000 0.000 -4.526) 4.526 8.428 ( 0.000 0.000 -3.700) 3.700 8.673 ( 0.000 0.000 -0.228) 0.228 9.048 ( 0.000 0.000 6.759) 6.759 9.060 ( 0.000 0.000 0.570) 0.570 9.482 ( 0.000 0.000 -8.280) 8.280 9.885 ( 0.000 0.000 -0.451) 0.451 10.064 ( 0.000 0.000 2.181) 2.181 10.494 ( 0.000 0.000 2.393) 2.393 10.848 ( 0.000 0.000 -7.553) 7.553 10.899 ( 0.000 0.000 -4.019) 4.019 11.113 ( 0.000 0.000 2.343) 2.343 11.133 ( 0.000 0.000 0.753) 0.753 11.487 ( 0.000 0.000 -12.203) 12.203 11.606 ( 0.000 0.000 -10.836) 10.836 11.782 ( 0.000 0.000 -6.660) 6.660 11.807 ( 0.000 0.000 -6.477) 6.477 12.098 ( 0.000 0.000 -2.738) 2.738 12.757 ( 0.000 0.000 22.103) 22.103 12.887 ( 0.000 0.000 9.248) 9.248 13.171 ( 0.000 0.000 13.566) 13.566 13.321 ( 0.000 0.000 4.815) 4.815 13.623 ( 0.000 0.000 -5.923) 5.923 13.754 ( 0.000 0.000 2.013) 2.013 13.986 ( 0.000 0.000 -1.785) 1.785 14.021 ( 0.000 0.000 3.882) 3.882 14.842 ( 0.000 0.000 4.074) 4.074 15.071 ( 0.000 0.000 1.584) 1.584 15.664 ( 0.000 0.000 -4.745) 4.745 15.905 ( 0.000 0.000 -2.060) 2.060 16.002 ( 0.000 0.000 8.346) 8.346 16.050 ( 0.000 0.000 1.156) 1.156 16.701 ( 0.000 0.000 -3.877) 3.877 16.907 ( 0.000 0.000 -3.433) 3.433 ======================= Grid point 111 (38/108) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 15.880 0.000 19.740) 25.335 1.241 ( -6.501 0.000 30.929) 31.605 2.115 ( 4.779 0.000 11.911) 12.834 2.117 ( 6.267 0.000 12.069) 13.599 2.250 ( 11.737 0.000 17.206) 20.828 2.638 ( 6.942 0.000 2.470) 7.369 2.714 ( 0.149 0.000 13.677) 13.678 3.138 ( -0.858 0.000 1.703) 1.907 3.255 ( 2.194 0.000 -6.742) 7.090 3.350 ( 10.703 0.000 6.745) 12.651 3.806 ( -7.051 0.000 -12.397) 14.262 3.841 ( 1.705 0.000 -6.628) 6.844 4.090 ( -4.100 0.000 -6.335) 7.546 4.107 ( -0.524 0.000 13.182) 13.192 4.219 ( -3.345 0.000 -1.746) 3.773 4.288 ( -0.059 0.000 6.934) 6.935 4.296 ( -10.735 0.000 -12.861) 16.752 4.531 ( -4.047 0.000 2.612) 4.817 4.618 ( 1.902 0.000 0.166) 1.909 4.731 ( 5.204 0.000 1.597) 5.444 4.846 ( 5.214 0.000 -4.365) 6.799 5.282 ( -2.713 0.000 2.004) 3.373 5.627 ( 1.671 0.000 9.191) 9.342 5.642 ( -3.195 0.000 -2.204) 3.881 6.038 ( -3.244 0.000 -9.411) 9.955 6.092 ( -10.096 0.000 5.410) 11.454 6.167 ( -7.073 0.000 -3.703) 7.983 6.460 ( -4.589 0.000 -0.747) 4.650 6.598 ( 7.173 0.000 3.884) 8.157 6.767 ( 5.077 0.000 2.126) 5.504 6.887 ( 11.677 0.000 -5.385) 12.859 7.100 ( -2.387 0.000 -0.748) 2.501 7.179 ( -3.009 0.000 -1.994) 3.609 7.348 ( 2.401 0.000 -12.008) 12.246 7.723 ( -5.714 0.000 -2.330) 6.171 7.729 ( 2.535 0.000 -12.685) 12.936 7.945 ( -1.702 0.000 -5.396) 5.658 7.977 ( -2.500 0.000 -0.288) 2.516 8.204 ( 4.426 0.000 -4.386) 6.231 8.491 ( 5.837 0.000 -1.399) 6.003 8.651 ( -2.213 0.000 -1.087) 2.466 9.028 ( -2.369 0.000 6.124) 6.567 9.092 ( 3.203 0.000 0.680) 3.274 9.422 ( -6.242 0.000 -6.480) 8.997 9.895 ( 1.039 0.000 -0.009) 1.040 10.073 ( 0.878 0.000 2.726) 2.864 10.432 ( -3.773 0.000 -0.348) 3.789 10.767 ( -3.917 0.000 -4.100) 5.671 10.987 ( 5.008 0.000 -0.932) 5.094 11.070 ( -5.519 0.000 -0.595) 5.551 11.123 ( -0.427 0.000 2.869) 2.900 11.578 ( -0.882 0.000 -6.208) 6.270 11.624 ( 13.093 0.000 -14.701) 19.686 11.876 ( 5.668 0.000 -5.056) 7.596 11.886 ( 7.197 0.000 -6.877) 9.955 12.049 ( -4.775 0.000 -2.792) 5.531 12.542 ( -12.754 0.000 22.243) 25.640 12.838 ( -4.303 0.000 8.616) 9.631 13.306 ( -0.558 0.000 2.376) 2.440 13.433 ( 18.170 0.000 16.437) 24.502 13.651 ( 1.555 0.000 -3.090) 3.459 13.716 ( -2.264 0.000 -0.698) 2.369 14.054 ( 5.455 0.000 -3.716) 6.601 14.064 ( 3.452 0.000 3.475) 4.898 14.806 ( -3.799 0.000 4.006) 5.521 15.020 ( -5.123 0.000 3.013) 5.944 15.611 ( -8.686 0.000 -4.994) 10.019 15.774 ( -11.306 0.000 -4.038) 12.005 15.970 ( -1.055 0.000 2.658) 2.860 15.972 ( -2.953 0.000 7.159) 7.744 16.662 ( -3.890 0.000 -3.935) 5.533 17.003 ( 5.533 0.000 -7.076) 8.982 ======================= Grid point 112 (39/108) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 13.224 0.000 15.256) 20.189 1.471 ( 21.350 0.000 14.278) 25.684 2.079 ( -1.579 0.000 5.047) 5.288 2.203 ( 3.702 0.000 7.051) 7.964 2.643 ( 17.574 0.000 13.523) 22.175 2.764 ( 5.907 0.000 12.241) 13.592 2.814 ( 10.651 0.000 1.024) 10.700 3.136 ( 2.368 0.000 11.080) 11.330 3.323 ( 4.943 0.000 -3.927) 6.313 3.499 ( 5.986 0.000 5.861) 8.378 3.633 ( -10.055 0.000 -6.800) 12.139 3.887 ( 2.516 0.000 -5.387) 5.946 3.954 ( -10.286 0.000 -7.086) 12.491 4.050 ( -11.889 0.000 -12.131) 16.986 4.091 ( -0.894 0.000 7.795) 7.846 4.198 ( -2.026 0.000 -4.722) 5.138 4.268 ( -2.781 0.000 3.588) 4.539 4.476 ( -1.541 0.000 4.247) 4.518 4.659 ( 2.533 0.000 -3.453) 4.283 4.747 ( -3.538 0.000 6.635) 7.519 4.930 ( 3.260 0.000 -8.328) 8.943 5.273 ( 1.803 0.000 -2.234) 2.871 5.446 ( -14.854 0.000 -1.956) 14.983 5.617 ( -2.553 0.000 6.749) 7.216 5.916 ( -8.444 0.000 5.655) 10.163 6.049 ( -5.410 0.000 -5.301) 7.574 6.091 ( 5.213 0.000 -10.750) 11.947 6.349 ( -5.820 0.000 0.945) 5.897 6.652 ( 1.049 0.000 -2.175) 2.415 6.937 ( 7.631 0.000 4.506) 8.862 7.014 ( 0.143 0.000 -2.410) 2.414 7.069 ( 1.154 0.000 -2.763) 2.994 7.162 ( 2.994 0.000 -0.206) 3.001 7.390 ( 2.092 0.000 -12.834) 13.004 7.572 ( -9.369 0.000 -0.445) 9.379 7.774 ( 2.011 0.000 -7.811) 8.066 7.941 ( -0.860 0.000 2.998) 3.119 7.944 ( 1.904 0.000 -5.853) 6.155 8.306 ( 5.657 0.000 -2.449) 6.164 8.555 ( -3.458 0.000 2.108) 4.050 8.662 ( 7.429 0.000 -1.815) 7.648 8.944 ( -6.525 0.000 3.873) 7.588 9.172 ( 4.742 0.000 1.116) 4.871 9.283 ( -6.870 0.000 -3.734) 7.819 9.921 ( 1.590 0.000 1.025) 1.892 10.094 ( 1.162 0.000 4.265) 4.420 10.394 ( -0.450 0.000 -2.070) 2.118 10.722 ( -0.825 0.000 -1.596) 1.796 10.973 ( -3.496 0.000 -0.415) 3.520 11.033 ( -1.743 0.000 6.031) 6.278 11.146 ( 4.941 0.000 0.054) 4.941 11.583 ( 0.961 0.000 -3.466) 3.597 11.837 ( 1.690 0.000 -1.361) 2.170 11.884 ( -8.423 0.000 1.607) 8.574 12.001 ( 11.673 0.000 -8.435) 14.402 12.018 ( 2.032 0.000 -6.883) 7.177 12.413 ( -0.024 0.000 15.714) 15.714 12.779 ( -0.948 0.000 7.637) 7.695 13.338 ( 4.407 0.000 -3.018) 5.342 13.622 ( -2.472 0.000 0.780) 2.592 13.724 ( 10.953 0.000 15.889) 19.298 13.733 ( 2.205 0.000 -3.266) 3.941 14.117 ( 1.505 0.000 1.164) 1.903 14.130 ( 1.575 0.000 0.099) 1.578 14.700 ( -7.174 0.000 5.329) 8.936 14.885 ( -8.628 0.000 4.919) 9.932 15.335 ( -13.739 0.000 -13.087) 18.974 15.675 ( -2.681 0.000 -4.907) 5.592 15.907 ( -3.213 0.000 3.891) 5.046 15.985 ( 2.147 0.000 -0.941) 2.344 16.565 ( -5.904 0.000 -4.200) 7.246 17.037 ( -2.056 0.000 -8.796) 9.033 ======================= Grid point 113 (40/108) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 23.594 0.000 0.420) 23.598 1.863 ( 18.234 0.000 9.632) 20.622 2.099 ( 4.014 0.000 7.942) 8.898 2.285 ( 6.785 0.000 0.194) 6.788 2.773 ( -2.745 0.000 3.853) 4.731 2.930 ( 10.432 0.000 9.503) 14.111 3.013 ( 10.234 0.000 0.011) 10.234 3.278 ( 9.033 0.000 16.511) 18.820 3.422 ( 1.888 0.000 -0.576) 1.974 3.465 ( -4.498 0.000 -3.210) 5.526 3.643 ( 9.970 0.000 3.956) 10.726 3.672 ( -16.895 0.000 -13.362) 21.540 3.881 ( -6.983 0.000 -8.228) 10.792 3.942 ( 4.076 0.000 -2.331) 4.696 4.079 ( -0.547 0.000 5.145) 5.174 4.120 ( -6.527 0.000 2.265) 6.909 4.168 ( -7.054 0.000 -1.489) 7.209 4.468 ( 0.333 0.000 3.830) 3.844 4.614 ( -6.545 0.000 3.122) 7.252 4.753 ( 5.116 0.000 -6.178) 8.021 4.940 ( -4.319 0.000 -1.591) 4.602 5.187 ( -9.473 0.000 -9.844) 13.662 5.289 ( -2.369 0.000 -2.501) 3.445 5.553 ( -3.990 0.000 3.146) 5.081 5.793 ( -2.602 0.000 5.326) 5.927 5.873 ( -11.514 0.000 -7.217) 13.589 6.133 ( -3.805 0.000 -8.959) 9.734 6.340 ( 5.815 0.000 1.853) 6.104 6.643 ( -3.246 0.000 5.611) 6.482 6.968 ( -3.728 0.000 -2.297) 4.379 6.974 ( 0.596 0.000 -10.650) 10.667 7.178 ( 5.735 0.000 -3.514) 6.726 7.220 ( 1.362 0.000 4.728) 4.920 7.410 ( -5.925 0.000 2.351) 6.374 7.448 ( 4.811 0.000 -9.089) 10.284 7.820 ( 3.022 0.000 -4.770) 5.647 7.948 ( 1.539 0.000 5.928) 6.124 7.995 ( 2.789 0.000 -4.483) 5.280 8.388 ( 1.818 0.000 4.320) 4.687 8.450 ( -6.572 0.000 0.295) 6.579 8.815 ( -5.200 0.000 -2.197) 5.645 8.836 ( 9.632 0.000 2.254) 9.892 9.173 ( -5.067 0.000 -3.382) 6.092 9.256 ( 3.647 0.000 2.126) 4.221 9.953 ( 1.709 0.000 2.521) 3.045 10.113 ( 0.667 0.000 6.419) 6.453 10.412 ( 2.446 0.000 0.318) 2.466 10.724 ( 0.598 0.000 0.271) 0.657 10.961 ( 2.451 0.000 1.764) 3.019 10.981 ( -2.642 0.000 3.823) 4.647 11.243 ( 3.135 0.000 3.693) 4.845 11.589 ( -1.311 0.000 -2.003) 2.394 11.705 ( -8.609 0.000 0.895) 8.655 11.764 ( -3.986 0.000 13.165) 13.756 12.001 ( -4.005 0.000 -3.990) 5.653 12.237 ( 8.489 0.000 -3.462) 9.168 12.493 ( 7.483 0.000 6.445) 9.876 12.813 ( 4.153 0.000 0.862) 4.241 13.458 ( 6.749 0.000 -4.865) 8.320 13.614 ( 2.487 0.000 -1.394) 2.852 13.761 ( 0.641 0.000 0.202) 0.672 13.822 ( -0.441 0.000 11.308) 11.317 14.116 ( -1.331 0.000 -1.963) 2.372 14.123 ( -1.576 0.000 2.935) 3.331 14.537 ( -9.746 0.000 9.488) 13.602 14.708 ( -9.496 0.000 2.652) 9.859 15.175 ( -3.033 0.000 -20.167) 20.394 15.618 ( -3.580 0.000 -5.391) 6.472 15.872 ( 0.013 0.000 -0.088) 0.089 16.052 ( 4.967 0.000 -4.555) 6.739 16.443 ( -6.771 0.000 -4.700) 8.242 16.940 ( -7.524 0.000 -9.364) 12.013 ======================= Grid point 114 (41/108) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 13.381 0.000 5.313) 14.397 2.142 ( 12.135 0.000 1.102) 12.185 2.290 ( 17.814 0.000 -1.247) 17.857 2.497 ( 13.359 0.000 -3.336) 13.769 2.662 ( -6.314 0.000 5.817) 8.586 3.107 ( 5.022 0.000 3.638) 6.201 3.185 ( 6.828 0.000 -0.104) 6.829 3.288 ( -8.300 0.000 -8.284) 11.727 3.365 ( 0.399 0.000 8.483) 8.492 3.433 ( -4.557 0.000 -4.414) 6.344 3.475 ( -3.151 0.000 1.799) 3.628 3.768 ( -4.986 0.000 -5.856) 7.691 3.791 ( -1.617 0.000 6.514) 6.711 3.965 ( -8.468 0.000 9.487) 12.717 4.016 ( 0.208 0.000 -6.886) 6.889 4.054 ( 6.915 0.000 -5.673) 8.945 4.148 ( 4.924 0.000 8.508) 9.830 4.483 ( 1.674 0.000 0.825) 1.866 4.533 ( -0.578 0.000 -0.856) 1.033 4.763 ( -10.889 0.000 3.652) 11.485 4.857 ( 4.148 0.000 -8.180) 9.172 5.073 ( -6.681 0.000 -13.537) 15.096 5.174 ( -7.248 0.000 -0.349) 7.256 5.449 ( -6.836 0.000 -2.288) 7.209 5.679 ( -6.235 0.000 -7.387) 9.667 5.858 ( 8.284 0.000 6.201) 10.347 6.012 ( -8.123 0.000 -8.768) 11.952 6.468 ( 6.514 0.000 2.172) 6.867 6.512 ( -9.842 0.000 8.961) 13.311 6.863 ( -7.278 0.000 -0.103) 7.279 7.022 ( 4.060 0.000 -14.503) 15.060 7.225 ( -0.394 0.000 -12.128) 12.135 7.233 ( 1.598 0.000 7.035) 7.214 7.362 ( -0.667 0.000 4.738) 4.785 7.581 ( 8.365 0.000 -1.901) 8.578 7.875 ( 1.855 0.000 -5.395) 5.705 7.999 ( 3.765 0.000 8.458) 9.258 8.042 ( 2.340 0.000 -1.258) 2.657 8.319 ( -6.878 0.000 -0.605) 6.905 8.347 ( -5.669 0.000 11.592) 12.904 8.792 ( 2.488 0.000 -8.135) 8.507 9.015 ( 8.846 0.000 3.776) 9.618 9.077 ( -5.182 0.000 -4.223) 6.685 9.298 ( 0.453 0.000 3.342) 3.373 9.990 ( 2.253 0.000 4.910) 5.402 10.114 ( -0.665 0.000 8.338) 8.365 10.487 ( 5.199 0.000 3.272) 6.143 10.728 ( -0.549 0.000 2.586) 2.643 10.950 ( -0.261 0.000 1.503) 1.525 11.059 ( 7.238 0.000 4.140) 8.338 11.216 ( -5.548 0.000 5.486) 7.802 11.488 ( -7.532 0.000 4.427) 8.736 11.623 ( -1.233 0.000 -6.591) 6.705 11.785 ( 6.204 0.000 16.381) 17.516 11.881 ( -7.910 0.000 -4.057) 8.890 12.276 ( -3.352 0.000 15.222) 15.586 12.670 ( 9.518 0.000 -4.215) 10.410 12.900 ( 3.536 0.000 -4.555) 5.766 13.559 ( 4.302 0.000 0.907) 4.396 13.684 ( 1.280 0.000 -3.218) 3.463 13.780 ( -1.508 0.000 3.748) 4.040 13.801 ( 5.674 0.000 1.279) 5.817 14.065 ( -4.845 0.000 -3.398) 5.917 14.094 ( -0.057 0.000 -3.876) 3.877 14.337 ( -10.516 0.000 11.033) 15.241 14.531 ( -9.068 0.000 -1.662) 9.219 15.193 ( 4.012 0.000 -16.278) 16.765 15.534 ( -5.187 0.000 -6.207) 8.089 15.913 ( 4.146 0.000 -3.149) 5.207 16.176 ( 7.978 0.000 -7.591) 11.012 16.307 ( -7.428 0.000 -5.221) 9.079 16.766 ( -10.312 0.000 -9.967) 14.342 ======================= Grid point 115 (42/108) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 8.923 0.000 10.079) 13.461 2.384 ( 13.551 0.000 -7.014) 15.259 2.425 ( -6.971 0.000 7.815) 10.472 2.610 ( -6.094 0.000 -8.531) 10.484 2.798 ( 20.591 0.000 -5.842) 21.404 3.107 ( 6.241 0.000 -5.873) 8.569 3.143 ( -12.670 0.000 -2.402) 12.896 3.302 ( -2.332 0.000 -0.584) 2.404 3.335 ( -4.026 0.000 0.008) 4.026 3.404 ( -2.350 0.000 -0.524) 2.408 3.428 ( 7.885 0.000 2.311) 8.216 3.614 ( -11.188 0.000 0.383) 11.195 3.714 ( 1.706 0.000 4.896) 5.184 3.820 ( -7.201 0.000 8.407) 11.069 4.070 ( 4.020 0.000 3.142) 5.102 4.147 ( -2.384 0.000 5.544) 6.035 4.321 ( 13.718 0.000 -4.262) 14.365 4.535 ( -4.894 0.000 -1.393) 5.088 4.612 ( 8.328 0.000 -1.804) 8.521 4.624 ( 5.092 0.000 -1.333) 5.264 4.801 ( -9.511 0.000 -3.372) 10.090 4.860 ( -14.292 0.000 -8.454) 16.605 5.158 ( 5.871 0.000 -4.405) 7.339 5.303 ( -8.105 0.000 -4.927) 9.486 5.682 ( 5.614 0.000 -8.821) 10.456 5.838 ( -9.515 0.000 -9.249) 13.269 6.059 ( 11.966 0.000 7.177) 13.953 6.295 ( -12.308 0.000 8.330) 14.862 6.588 ( 6.278 0.000 3.293) 7.089 6.717 ( -7.362 0.000 2.729) 7.852 7.108 ( 4.566 0.000 -14.656) 15.351 7.186 ( -3.302 0.000 -14.360) 14.735 7.287 ( 3.388 0.000 6.808) 7.604 7.341 ( -1.938 0.000 6.116) 6.416 7.740 ( 7.746 0.000 -0.733) 7.781 7.857 ( -3.929 0.000 -3.337) 5.155 8.090 ( 5.779 0.000 10.541) 12.021 8.103 ( 4.167 0.000 -0.995) 4.284 8.197 ( -5.696 0.000 -1.639) 5.928 8.216 ( -7.154 0.000 11.976) 13.950 8.872 ( 5.146 0.000 -7.317) 8.945 8.975 ( -5.444 0.000 -5.545) 7.771 9.167 ( 6.846 0.000 4.239) 8.052 9.268 ( -3.563 0.000 4.090) 5.424 10.038 ( 2.718 0.000 7.561) 8.035 10.087 ( -2.123 0.000 8.918) 9.167 10.596 ( 5.773 0.000 4.821) 7.521 10.690 ( -3.601 0.000 4.494) 5.759 10.982 ( 3.679 0.000 1.411) 3.940 11.086 ( -6.847 0.000 3.955) 7.908 11.212 ( 8.072 0.000 5.726) 9.896 11.352 ( -6.802 0.000 5.501) 8.748 11.630 ( 2.458 0.000 -7.811) 8.189 11.727 ( -7.374 0.000 -6.171) 9.616 11.955 ( 10.442 0.000 19.043) 21.718 12.149 ( -9.127 0.000 20.178) 22.146 12.825 ( 6.533 0.000 -4.794) 8.103 12.913 ( -2.280 0.000 -4.921) 5.423 13.629 ( 2.800 0.000 1.871) 3.367 13.669 ( -1.579 0.000 0.868) 1.802 13.815 ( 5.128 0.000 -4.851) 7.059 13.936 ( 7.474 0.000 4.130) 8.539 13.944 ( -7.318 0.000 -7.455) 10.447 14.081 ( -5.871 0.000 4.364) 7.315 14.218 ( 2.954 0.000 -1.452) 3.291 14.358 ( -8.951 0.000 -4.784) 10.150 15.298 ( 6.399 0.000 -10.843) 12.591 15.422 ( -6.375 0.000 -7.727) 10.017 16.021 ( 6.809 0.000 -4.836) 8.352 16.162 ( -7.686 0.000 -5.398) 9.392 16.352 ( 10.233 0.000 -9.514) 13.973 16.559 ( -11.105 0.000 -10.205) 15.082 ======================= Grid point 121 (43/108) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 17.693 18.754) 25.783 1.481 ( 0.000 7.163 26.752) 27.695 1.909 ( 0.000 -9.653 15.747) 18.470 1.931 ( 0.000 5.176 31.974) 32.390 2.268 ( 0.000 -15.390 12.295) 19.699 2.335 ( 0.000 0.097 1.552) 1.555 2.957 ( 0.000 11.054 7.221) 13.203 3.154 ( 0.000 -1.536 7.403) 7.560 3.234 ( 0.000 5.761 0.726) 5.806 3.262 ( 0.000 2.275 -6.248) 6.650 3.698 ( 0.000 -3.280 -11.150) 11.622 3.998 ( 0.000 -9.080 0.780) 9.114 4.032 ( 0.000 4.808 -2.552) 5.443 4.049 ( 0.000 -5.344 8.133) 9.731 4.178 ( 0.000 -5.280 -10.703) 11.934 4.405 ( 0.000 3.587 2.690) 4.484 4.416 ( 0.000 -8.805 0.045) 8.805 4.519 ( 0.000 13.222 0.696) 13.241 4.591 ( 0.000 -1.599 -1.507) 2.197 4.728 ( 0.000 4.120 -0.410) 4.141 4.827 ( 0.000 2.066 1.986) 2.866 5.165 ( 0.000 -12.081 2.654) 12.369 5.665 ( 0.000 6.155 3.614) 7.138 5.779 ( 0.000 8.769 -4.986) 10.087 6.030 ( 0.000 -3.911 -4.084) 5.655 6.237 ( 0.000 -1.877 -0.180) 1.886 6.334 ( 0.000 -0.790 0.638) 1.015 6.411 ( 0.000 -1.520 -0.023) 1.520 6.434 ( 0.000 -1.481 11.721) 11.815 6.664 ( 0.000 -6.838 -3.780) 7.813 6.759 ( 0.000 4.858 -3.463) 5.966 7.072 ( 0.000 -6.846 0.537) 6.867 7.322 ( 0.000 8.192 -1.709) 8.368 7.356 ( 0.000 3.382 -12.811) 13.250 7.691 ( 0.000 -0.414 -13.334) 13.341 7.766 ( 0.000 -1.547 -2.968) 3.347 7.925 ( 0.000 -2.555 -5.485) 6.051 7.944 ( 0.000 -3.703 -2.095) 4.254 8.237 ( 0.000 5.566 -4.208) 6.978 8.418 ( 0.000 -1.884 -3.820) 4.259 8.845 ( 0.000 11.790 -6.531) 13.478 9.051 ( 0.000 -0.974 0.543) 1.115 9.085 ( 0.000 3.921 4.372) 5.873 9.411 ( 0.000 -6.161 -9.088) 10.980 9.918 ( 0.000 2.552 0.122) 2.555 10.037 ( 0.000 -2.359 1.906) 3.033 10.557 ( 0.000 5.725 2.860) 6.400 10.844 ( 0.000 -0.266 -6.911) 6.917 10.881 ( 0.000 -1.373 -2.973) 3.275 10.958 ( 0.000 -11.053 4.030) 11.764 11.189 ( 0.000 4.748 -2.637) 5.432 11.427 ( 0.000 -4.581 -9.947) 10.951 11.684 ( 0.000 3.884 -9.286) 10.065 11.738 ( 0.000 -1.369 -4.932) 5.119 11.878 ( 0.000 4.008 -7.047) 8.107 12.054 ( 0.000 -3.690 -2.939) 4.717 12.768 ( 0.000 0.993 21.283) 21.306 12.852 ( 0.000 -2.733 12.584) 12.877 13.209 ( 0.000 3.242 13.719) 14.097 13.315 ( 0.000 -0.767 6.198) 6.246 13.646 ( 0.000 1.463 -6.600) 6.760 13.721 ( 0.000 -2.461 0.637) 2.542 13.993 ( 0.000 0.435 -1.553) 1.612 14.009 ( 0.000 -0.752 2.653) 2.758 14.881 ( 0.000 3.333 3.728) 5.001 15.039 ( 0.000 -2.755 1.992) 3.399 15.704 ( 0.000 3.471 -4.485) 5.671 15.874 ( 0.000 -2.840 -2.847) 4.021 16.001 ( 0.000 0.003 7.775) 7.775 16.033 ( 0.000 -1.293 2.845) 3.124 16.730 ( 0.000 2.530 -4.034) 4.762 16.869 ( 0.000 -3.041 -3.495) 4.633 ======================= Grid point 122 (44/108) ======================= q-point: ( 0.09 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 2.882 12.743 19.696) 23.636 1.353 ( 1.208 9.607 25.057) 26.863 1.950 ( 6.569 -9.848 12.713) 17.371 2.040 ( -6.487 -11.464 11.779) 17.670 2.283 ( 20.580 4.559 22.810) 31.058 2.571 ( 13.460 -0.591 4.146) 14.097 2.925 ( -1.471 10.328 6.929) 12.524 3.190 ( 0.243 3.379 0.586) 3.438 3.281 ( 2.141 2.312 -5.511) 6.348 3.330 ( 9.905 -0.626 7.831) 12.642 3.679 ( -1.897 -3.582 -10.223) 10.997 3.962 ( -6.449 1.128 -6.432) 9.178 3.987 ( -4.490 -6.221 -3.414) 8.398 4.037 ( -1.427 -4.806 5.052) 7.117 4.121 ( -0.672 -7.067 2.196) 7.431 4.225 ( -10.205 -1.868 0.263) 10.378 4.437 ( -4.617 7.502 0.899) 8.855 4.566 ( 8.936 0.617 -6.252) 10.924 4.616 ( -6.286 0.633 -1.000) 6.397 4.753 ( 4.220 4.965 4.378) 7.851 4.874 ( 2.681 -0.131 0.227) 2.694 5.140 ( -0.791 -9.521 -0.261) 9.558 5.676 ( -1.022 5.566 4.383) 7.158 5.791 ( -0.827 9.025 -2.260) 9.341 5.979 ( -2.317 -4.718 -7.104) 8.838 6.128 ( -9.372 -4.354 -0.652) 10.354 6.173 ( -9.421 6.258 4.746) 12.266 6.354 ( -4.005 -5.428 0.743) 6.787 6.570 ( 8.919 -2.655 1.363) 9.405 6.719 ( 3.954 -4.890 -3.881) 7.390 6.888 ( 7.417 0.141 -2.407) 7.799 7.102 ( 4.140 -0.888 2.663) 5.001 7.258 ( -5.117 7.245 -2.807) 9.303 7.389 ( 2.364 2.589 -10.559) 11.126 7.703 ( -2.062 -1.511 -7.051) 7.500 7.726 ( -0.953 -0.328 -7.939) 8.003 7.891 ( -1.588 -4.223 -4.573) 6.424 7.927 ( -1.978 -2.365 -1.554) 3.452 8.278 ( 3.901 5.520 -3.994) 7.851 8.469 ( 4.653 -2.436 -1.764) 5.540 8.777 ( -5.428 8.531 -5.391) 11.458 9.057 ( -2.282 2.013 5.323) 6.131 9.102 ( 3.258 1.692 -0.400) 3.693 9.357 ( -5.284 -5.512 -6.694) 10.154 9.929 ( 1.041 2.603 0.062) 2.804 10.052 ( 1.420 -1.817 2.485) 3.390 10.474 ( -4.990 3.554 0.641) 6.159 10.772 ( -4.648 -0.658 -4.291) 6.360 10.942 ( -0.016 -5.039 0.990) 5.135 10.967 ( 4.618 -1.924 0.731) 5.055 11.185 ( -1.606 1.721 0.082) 2.356 11.567 ( 10.515 -1.055 -10.077) 14.602 11.667 ( 1.946 2.991 -9.392) 10.047 11.811 ( 4.734 -2.612 -4.050) 6.755 11.950 ( 5.169 2.767 -6.026) 8.407 12.035 ( -0.996 -1.222 -4.091) 4.384 12.573 ( -12.239 2.687 21.034) 24.483 12.766 ( -6.011 -5.470 12.267) 14.715 13.300 ( 5.285 -0.098 8.920) 10.369 13.489 ( 8.406 2.977 2.392) 9.233 13.673 ( 6.443 2.321 1.051) 6.929 13.731 ( 0.333 1.094 -1.142) 1.616 14.008 ( 4.417 -3.670 1.618) 5.967 14.063 ( 2.919 -0.152 -1.282) 3.192 14.793 ( -8.903 -0.734 5.165) 10.319 15.006 ( -3.630 -0.912 3.352) 5.024 15.662 ( -6.196 3.751 -5.281) 8.964 15.777 ( -9.545 0.028 -4.426) 10.521 15.953 ( -2.578 -1.105 4.200) 5.051 15.976 ( -2.690 0.070 5.333) 5.974 16.618 ( -5.892 -2.993 -3.730) 7.589 17.008 ( 6.461 0.312 -6.094) 8.887 ======================= Grid point 123 (45/108) ======================= q-point: ( 0.18 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 9.902 3.266 15.631) 18.789 1.587 ( 13.480 5.225 12.265) 18.959 1.973 ( 3.433 -6.765 9.413) 12.090 2.129 ( 9.587 -4.929 10.430) 14.999 2.661 ( 15.552 1.559 11.371) 19.328 2.820 ( 11.264 4.525 5.972) 13.529 2.933 ( 2.993 7.376 2.952) 8.490 3.206 ( 3.345 5.649 7.172) 9.723 3.339 ( 3.889 2.083 -2.263) 4.958 3.503 ( 6.096 -0.673 6.654) 9.049 3.622 ( -4.277 -1.787 -6.237) 7.771 3.823 ( -6.952 -4.487 -7.577) 11.219 3.855 ( -5.250 -5.059 -4.465) 8.549 4.007 ( -2.170 -2.629 -0.056) 3.410 4.063 ( -5.952 -2.076 -2.651) 6.838 4.167 ( 1.058 -6.879 2.112) 7.273 4.318 ( -6.694 6.193 1.171) 9.195 4.480 ( -6.165 0.537 0.808) 6.241 4.683 ( -2.466 -1.909 3.579) 4.747 4.778 ( 2.794 6.194 -1.351) 6.927 4.905 ( 2.478 -4.037 -5.699) 7.410 5.166 ( 1.385 -3.467 -2.747) 4.635 5.554 ( -11.538 5.948 0.803) 13.005 5.686 ( -7.436 3.523 2.472) 8.591 5.959 ( -6.453 0.698 2.741) 7.046 6.014 ( -7.347 -0.707 -1.701) 7.574 6.050 ( 5.441 -1.923 -9.162) 10.828 6.280 ( -3.280 -3.844 2.806) 5.780 6.678 ( 1.685 0.804 -4.814) 5.163 6.846 ( 9.310 -8.042 -0.378) 12.308 6.934 ( -1.132 -3.667 -3.802) 5.402 7.120 ( -6.243 4.156 0.072) 7.500 7.222 ( 2.328 3.972 -2.707) 5.340 7.455 ( 4.670 3.804 -3.424) 6.928 7.599 ( -5.216 2.258 -5.135) 7.660 7.756 ( 2.241 -1.501 -6.188) 6.750 7.890 ( -1.096 -2.673 1.148) 3.109 7.912 ( 3.530 -3.809 -5.841) 7.816 8.364 ( 4.464 4.946 -1.684) 6.872 8.541 ( 0.255 -2.099 2.804) 3.512 8.708 ( 0.821 4.124 -5.269) 6.742 8.960 ( -7.585 0.842 3.824) 8.536 9.172 ( 3.325 -0.329 0.593) 3.393 9.258 ( -3.640 -1.677 -2.958) 4.981 9.951 ( 1.144 2.231 0.740) 2.614 10.083 ( 1.713 -0.884 4.218) 4.638 10.423 ( -0.573 2.481 -1.264) 2.843 10.692 ( -3.250 -3.283 -1.461) 4.845 10.930 ( -0.108 0.564 2.700) 2.761 11.082 ( 3.703 0.810 2.482) 4.531 11.147 ( 0.958 -0.237 0.429) 1.076 11.617 ( -0.497 2.759 -4.482) 5.286 11.809 ( 2.677 -2.023 -6.741) 7.530 11.846 ( -2.807 -4.187 2.097) 5.459 11.952 ( -1.017 1.223 0.940) 1.848 12.128 ( 9.400 4.344 -10.811) 14.970 12.435 ( -1.348 2.104 17.007) 17.190 12.717 ( 1.662 -5.005 6.170) 8.116 13.376 ( 3.530 2.936 -1.494) 4.828 13.539 ( 0.455 -4.679 2.181) 5.182 13.734 ( 1.003 0.908 -3.617) 3.862 13.849 ( 6.904 7.351 10.367) 14.463 14.078 ( 0.242 -2.330 2.098) 3.145 14.145 ( 4.926 0.123 -0.561) 4.959 14.589 ( -9.719 -7.586 6.459) 13.919 14.884 ( -9.515 -0.027 5.289) 10.886 15.450 ( -11.087 8.266 -11.005) 17.674 15.669 ( -3.655 -0.863 -5.586) 6.731 15.906 ( -2.538 0.013 2.930) 3.877 15.963 ( 1.516 -1.902 -0.485) 2.480 16.517 ( -5.188 -3.446 -4.473) 7.668 17.046 ( -2.186 0.649 -7.264) 7.614 ======================= Grid point 124 (46/108) ======================= q-point: ( 0.27 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 22.799 -1.658 1.564) 22.913 1.785 ( 8.971 -5.489 8.054) 13.247 2.180 ( 15.464 0.914 5.073) 16.300 2.291 ( 7.091 4.409 7.217) 11.036 2.821 ( 0.553 3.657 3.826) 5.321 2.957 ( 5.871 2.196 7.637) 9.880 3.051 ( 8.951 2.052 -0.166) 9.185 3.321 ( 2.757 2.455 8.653) 9.407 3.414 ( 2.778 0.164 0.059) 2.783 3.465 ( -5.204 0.096 -2.203) 5.652 3.593 ( -2.275 -1.963 0.573) 3.059 3.741 ( 3.430 4.857 -3.739) 7.023 3.835 ( -4.258 -3.343 -6.104) 8.159 3.941 ( 2.742 -1.146 -6.882) 7.496 3.997 ( -3.278 -3.293 5.901) 7.511 4.117 ( -4.988 -4.122 -2.158) 6.821 4.216 ( -4.809 2.857 2.684) 6.204 4.402 ( -2.853 -1.946 3.808) 5.141 4.571 ( -4.235 -3.354 2.319) 5.879 4.838 ( 2.664 4.256 -1.363) 5.203 4.973 ( 1.118 1.822 -8.581) 8.844 5.115 ( -5.640 -1.885 -4.286) 7.330 5.324 ( -10.953 1.703 -0.862) 11.118 5.534 ( -8.641 -2.881 -0.751) 9.140 5.845 ( -7.053 -0.180 -2.060) 7.350 5.895 ( -2.066 6.549 3.190) 7.572 6.113 ( -1.590 -1.689 -9.564) 9.842 6.269 ( 3.265 -5.071 4.107) 7.297 6.659 ( -3.476 1.169 2.005) 4.180 6.879 ( -2.986 -6.583 -3.131) 7.877 6.996 ( -3.733 0.480 -4.780) 6.084 7.043 ( 7.063 -5.127 -2.050) 8.965 7.187 ( -4.411 -3.783 -5.054) 7.701 7.506 ( 0.022 8.622 -1.234) 8.710 7.592 ( 4.364 7.045 -4.000) 9.201 7.823 ( 4.595 -0.298 -2.361) 5.175 7.891 ( 1.394 -2.667 3.504) 4.619 8.001 ( 4.979 -1.961 -4.328) 6.882 8.406 ( -1.835 1.093 2.911) 3.611 8.478 ( -4.215 3.382 3.917) 6.674 8.792 ( 1.113 -1.004 -3.186) 3.521 8.836 ( 0.979 -1.314 0.453) 1.700 9.177 ( -2.139 0.374 -0.163) 2.178 9.257 ( 2.189 0.052 0.451) 2.236 9.973 ( 1.293 1.517 2.221) 2.984 10.112 ( 1.121 -0.081 6.453) 6.550 10.442 ( 2.434 2.672 0.576) 3.660 10.661 ( 0.031 -4.955 1.419) 5.154 10.942 ( 1.126 1.626 2.629) 3.290 11.059 ( -1.709 2.087 1.638) 3.156 11.263 ( 6.041 2.112 4.136) 7.620 11.591 ( -2.650 0.132 -3.365) 4.285 11.728 ( -6.867 1.713 -1.412) 7.217 11.752 ( -4.666 -1.536 11.160) 12.193 11.914 ( -3.865 -4.927 1.623) 6.469 12.304 ( 4.691 3.860 0.500) 6.096 12.508 ( 8.885 1.111 2.969) 9.433 12.801 ( 5.698 -1.049 -1.421) 5.965 13.451 ( 3.899 -0.615 -2.982) 4.947 13.585 ( 5.682 -1.896 -1.749) 6.240 13.748 ( 0.098 0.166 -0.516) 0.551 13.897 ( -1.961 4.936 9.348) 10.752 14.071 ( -0.266 -2.746 0.600) 2.823 14.116 ( -5.917 -1.757 1.105) 6.271 14.498 ( -2.530 -3.151 6.650) 7.782 14.655 ( -12.940 -2.488 3.730) 13.695 15.312 ( -3.320 9.968 -15.767) 18.947 15.603 ( -3.389 -1.941 -6.668) 7.728 15.880 ( 0.083 0.913 -1.131) 1.456 16.024 ( 4.892 -2.487 -3.839) 6.697 16.410 ( -6.028 -2.396 -5.411) 8.447 16.945 ( -7.827 0.360 -7.806) 11.060 ======================= Grid point 125 (47/108) ======================= q-point: ( 0.36 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 12.809 -4.497 3.549) 14.032 2.112 ( 24.207 -1.592 -4.536) 24.680 2.399 ( 7.198 0.995 0.678) 7.298 2.465 ( 9.583 3.512 5.157) 11.435 2.768 ( -2.818 7.744 2.532) 8.621 3.065 ( 1.168 -3.643 3.497) 5.183 3.205 ( 4.296 0.414 0.246) 4.323 3.230 ( -2.742 -2.527 -4.839) 6.109 3.374 ( -4.265 0.702 1.761) 4.668 3.435 ( -5.059 -2.519 1.782) 5.926 3.543 ( -1.484 3.979 -0.031) 4.247 3.695 ( -4.761 1.812 -6.032) 7.896 3.891 ( -1.171 1.910 7.645) 7.966 3.921 ( 1.191 0.560 4.921) 5.094 4.030 ( -0.278 -1.904 -9.102) 9.303 4.100 ( 5.011 3.046 -2.572) 6.403 4.144 ( 3.134 -0.429 8.162) 8.753 4.359 ( -0.435 -6.792 2.136) 7.133 4.578 ( 3.404 2.453 -2.369) 4.819 4.813 ( -12.386 3.854 1.398) 13.047 4.893 ( 2.732 0.062 -4.506) 5.270 5.023 ( -11.189 -1.766 -7.300) 13.476 5.190 ( -0.228 0.721 -5.460) 5.512 5.377 ( -7.010 -4.788 -3.898) 9.341 5.696 ( -6.337 0.612 -3.975) 7.505 5.948 ( 5.885 7.258 4.991) 10.593 6.016 ( -7.645 0.631 -8.635) 11.550 6.327 ( -0.004 -8.746 4.881) 10.016 6.573 ( -3.046 2.575 4.709) 6.171 6.845 ( -2.633 -4.596 -3.623) 6.417 6.908 ( -2.911 -5.240 1.855) 6.275 7.050 ( -3.944 -6.928 -2.980) 8.511 7.238 ( 7.229 -2.000 -9.180) 11.854 7.497 ( -1.245 7.218 -9.450) 11.956 7.695 ( 6.177 7.238 4.091) 10.357 7.902 ( 2.810 1.096 -0.471) 3.053 7.947 ( 4.346 -1.459 4.563) 6.468 8.087 ( 3.886 1.028 -1.772) 4.393 8.309 ( -6.321 -0.763 1.641) 6.575 8.374 ( -7.326 2.841 10.349) 12.994 8.791 ( 2.659 0.207 -7.424) 7.889 8.945 ( 4.461 -4.668 -0.900) 6.519 9.140 ( -0.763 3.932 1.132) 4.162 9.282 ( 0.003 -1.537 2.789) 3.185 10.005 ( 2.111 1.124 4.708) 5.281 10.120 ( -0.327 0.499 8.393) 8.414 10.513 ( 4.820 2.392 3.758) 6.563 10.677 ( 1.021 -4.032 4.024) 5.787 10.958 ( 0.597 1.074 1.098) 1.648 11.059 ( 1.275 -0.481 2.947) 3.247 11.301 ( -1.682 6.798 5.580) 8.954 11.505 ( -5.947 1.361 2.169) 6.475 11.631 ( -2.817 0.730 -5.133) 5.900 11.737 ( 1.636 -5.584 6.986) 9.092 11.831 ( -2.226 -2.276 6.746) 7.459 12.286 ( -5.110 0.537 16.430) 17.215 12.702 ( 9.342 2.314 -6.741) 11.751 12.894 ( 3.276 -0.434 -4.758) 5.793 13.532 ( 4.968 -1.800 0.634) 5.322 13.700 ( 1.006 1.392 -4.056) 4.404 13.778 ( 6.888 -0.827 -0.317) 6.944 13.830 ( -2.921 2.663 4.977) 6.356 14.009 ( -4.387 -3.870 -3.729) 6.937 14.077 ( 0.631 -1.899 -0.881) 2.186 14.333 ( -12.833 -0.237 7.957) 15.101 14.485 ( -6.587 -2.823 -0.228) 7.170 15.307 ( 2.125 8.565 -14.069) 16.608 15.535 ( -3.795 -0.554 -7.149) 8.113 15.915 ( 3.587 0.362 -4.950) 6.124 16.148 ( 7.645 -2.511 -6.545) 10.373 16.288 ( -6.352 -1.317 -6.289) 9.035 16.766 ( -10.597 -0.029 -8.327) 13.477 ======================= Grid point 126 (48/108) ======================= q-point: ( 0.45 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 14.169 0.046 2.769) 14.437 2.438 ( 8.842 3.567 -2.264) 9.800 2.471 ( -5.892 3.453 8.176) 10.653 2.580 ( 1.467 -2.830 -6.963) 7.658 2.791 ( 11.141 -0.361 -7.489) 13.429 3.052 ( 4.441 -2.491 -3.676) 6.280 3.145 ( -14.927 -0.834 -2.398) 15.142 3.228 ( -9.714 -4.472 -0.617) 10.712 3.283 ( 3.326 -1.963 0.590) 3.907 3.318 ( -0.215 -2.772 0.936) 2.934 3.596 ( 4.740 1.492 3.787) 6.248 3.652 ( -1.579 6.799 1.389) 7.117 3.806 ( -2.660 1.451 5.928) 6.658 3.851 ( -5.257 9.484 -0.591) 10.860 4.097 ( 3.777 1.694 3.370) 5.338 4.158 ( -0.185 -0.105 5.532) 5.536 4.304 ( 10.032 -1.711 -1.389) 10.272 4.450 ( 8.447 -7.760 -0.463) 11.480 4.527 ( -7.650 -0.025 -2.077) 7.927 4.714 ( -7.079 -0.857 -4.088) 8.219 4.784 ( -1.488 2.262 -2.495) 3.682 4.894 ( -4.203 1.900 -6.649) 8.092 5.203 ( 1.826 3.030 -5.378) 6.438 5.274 ( -4.585 -2.158 -5.102) 7.191 5.676 ( 4.972 -0.827 -6.717) 8.398 5.838 ( -10.205 0.108 -8.804) 13.478 6.086 ( 8.009 2.711 6.182) 10.475 6.238 ( -7.488 -4.086 7.289) 11.220 6.603 ( 5.000 1.182 2.950) 5.925 6.726 ( -7.344 0.835 1.418) 7.526 6.931 ( 2.908 -10.982 -0.258) 11.364 6.988 ( -2.937 -10.627 -1.601) 11.141 7.362 ( 5.601 2.147 -10.469) 12.065 7.451 ( -3.569 4.806 -10.784) 12.334 7.818 ( 6.242 5.484 4.607) 9.501 7.908 ( -2.464 3.429 1.904) 4.632 8.051 ( 6.489 -0.993 6.548) 9.272 8.152 ( 2.758 2.836 -2.210) 4.531 8.188 ( -6.249 -1.049 6.712) 9.230 8.236 ( -5.778 1.314 4.851) 7.658 8.868 ( 4.672 -0.157 -6.700) 8.169 8.949 ( -3.210 -2.310 -5.046) 6.411 9.181 ( 4.162 1.347 4.435) 6.230 9.254 ( -2.884 -1.273 4.268) 5.306 10.052 ( 2.665 1.018 7.518) 8.041 10.098 ( -1.942 0.875 8.978) 9.227 10.610 ( 4.755 1.197 5.846) 7.630 10.675 ( -1.706 -1.261 5.881) 6.252 10.984 ( 2.541 0.240 0.866) 2.695 11.048 ( -3.092 -1.880 3.640) 5.133 11.300 ( 3.163 5.990 4.913) 8.368 11.392 ( -5.620 3.218 4.879) 8.108 11.612 ( 1.034 -1.391 -7.009) 7.220 11.674 ( -4.937 -4.556 -5.405) 8.622 11.945 ( 10.068 -0.755 18.690) 21.243 12.140 ( -9.562 -0.693 19.839) 22.034 12.842 ( 5.418 1.282 -5.916) 8.124 12.910 ( -1.546 -0.212 -5.316) 5.541 13.625 ( 3.931 -0.355 0.742) 4.016 13.677 ( -1.919 0.627 0.416) 2.061 13.824 ( 2.812 0.655 -1.963) 3.491 13.898 ( -0.985 -2.215 -4.573) 5.176 13.951 ( 3.139 0.273 1.241) 3.386 14.093 ( -7.953 0.610 3.066) 8.545 14.165 ( 5.446 -3.920 -1.667) 6.914 14.332 ( -9.220 -1.698 -3.294) 9.937 15.371 ( 4.220 5.581 -10.214) 12.381 15.456 ( -4.431 2.283 -7.925) 9.362 16.011 ( 6.202 -0.754 -7.132) 9.481 16.140 ( -6.912 -1.819 -7.654) 10.473 16.342 ( 10.282 -0.768 -7.577) 12.795 16.553 ( -11.396 -0.425 -8.426) 14.179 ======================= Grid point 132 (49/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 -10.463 17.994) 20.814 1.508 ( 0.000 10.463 17.994) 20.814 1.859 ( 0.000 -7.751 20.481) 21.899 1.859 ( 0.000 7.751 20.481) 21.899 2.219 ( 0.000 -7.760 14.356) 16.319 2.219 ( 0.000 7.760 14.356) 16.319 3.115 ( 0.000 -2.933 4.879) 5.693 3.115 ( 0.000 2.933 4.879) 5.693 3.304 ( 0.000 -0.414 -2.730) 2.762 3.304 ( 0.000 0.414 -2.730) 2.762 3.771 ( 0.000 -9.762 -7.497) 12.309 3.771 ( 0.000 9.762 -7.497) 12.309 3.994 ( 0.000 -1.627 7.885) 8.051 3.994 ( 0.000 1.627 7.885) 8.051 4.233 ( 0.000 -6.019 -4.561) 7.552 4.233 ( 0.000 6.019 -4.561) 7.552 4.520 ( 0.000 -2.973 -1.372) 3.274 4.520 ( 0.000 2.973 -1.372) 3.274 4.779 ( 0.000 -2.385 -2.207) 3.250 4.779 ( 0.000 2.385 -2.207) 3.250 4.883 ( 0.000 -10.685 5.031) 11.810 4.883 ( 0.000 10.685 5.031) 11.810 5.814 ( 0.000 -6.256 -6.866) 9.289 5.814 ( 0.000 6.256 -6.866) 9.289 6.079 ( 0.000 -9.194 4.754) 10.350 6.079 ( 0.000 9.194 4.754) 10.350 6.378 ( 0.000 -2.843 0.381) 2.869 6.378 ( 0.000 2.843 0.381) 2.869 6.497 ( 0.000 -6.018 0.006) 6.018 6.497 ( 0.000 6.018 0.006) 6.018 6.902 ( 0.000 -7.760 1.994) 8.012 6.902 ( 0.000 7.760 1.994) 8.012 7.416 ( 0.000 -0.255 -9.582) 9.585 7.416 ( 0.000 0.255 -9.582) 9.585 7.711 ( 0.000 -2.631 -6.521) 7.032 7.711 ( 0.000 2.631 -6.521) 7.032 7.899 ( 0.000 -0.114 -4.107) 4.109 7.899 ( 0.000 0.114 -4.107) 4.109 8.348 ( 0.000 -4.455 -3.911) 5.928 8.348 ( 0.000 4.455 -3.911) 5.928 9.009 ( 0.000 -2.795 -1.418) 3.134 9.009 ( 0.000 2.795 -1.418) 3.134 9.240 ( 0.000 -9.291 -7.164) 11.733 9.240 ( 0.000 9.291 -7.164) 11.733 9.977 ( 0.000 -2.873 1.160) 3.098 9.977 ( 0.000 2.873 1.160) 3.098 10.724 ( 0.000 -8.640 3.212) 9.218 10.724 ( 0.000 8.640 3.212) 9.218 10.854 ( 0.000 -0.514 -3.150) 3.192 10.854 ( 0.000 0.514 -3.150) 3.192 11.310 ( 0.000 -4.932 -7.315) 8.823 11.310 ( 0.000 4.932 -7.315) 8.823 11.726 ( 0.000 -0.198 -5.301) 5.305 11.726 ( 0.000 0.198 -5.301) 5.305 11.965 ( 0.000 -4.220 -5.306) 6.780 11.965 ( 0.000 4.220 -5.306) 6.780 12.799 ( 0.000 -1.938 18.316) 18.418 12.799 ( 0.000 1.938 18.316) 18.418 13.279 ( 0.000 -1.251 10.169) 10.245 13.279 ( 0.000 1.251 10.169) 10.245 13.675 ( 0.000 -1.129 -3.402) 3.584 13.675 ( 0.000 1.129 -3.402) 3.584 13.999 ( 0.000 -0.027 -0.158) 0.160 13.999 ( 0.000 0.027 -0.158) 0.160 14.964 ( 0.000 -3.371 2.852) 4.415 14.964 ( 0.000 3.371 2.852) 4.415 15.793 ( 0.000 -4.339 -3.863) 5.809 15.793 ( 0.000 4.339 -3.863) 5.809 16.009 ( 0.000 -0.720 5.757) 5.802 16.009 ( 0.000 0.720 5.757) 5.802 16.797 ( 0.000 -1.587 -3.976) 4.281 16.797 ( 0.000 1.587 -3.976) 4.281 ======================= Grid point 134 (50/108) ======================= q-point: ( 0.09 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -8.699 -0.000 24.424) 25.927 1.525 ( 2.845 0.000 11.956) 12.290 1.767 ( 9.198 0.000 15.700) 18.196 1.856 ( -2.664 0.000 18.477) 18.668 2.373 ( 16.845 -0.000 15.504) 22.894 2.545 ( 20.227 0.000 8.940) 22.115 3.049 ( -1.744 0.000 3.925) 4.295 3.218 ( 4.063 0.000 1.681) 4.397 3.330 ( 3.758 -0.000 0.104) 3.759 3.334 ( 3.127 0.000 -0.262) 3.138 3.737 ( -1.827 -0.000 -8.255) 8.455 3.746 ( -5.024 0.000 -6.541) 8.248 3.961 ( -0.014 0.000 8.025) 8.025 4.019 ( -1.953 0.000 3.299) 3.834 4.044 ( -6.758 0.000 -2.520) 7.213 4.214 ( -13.160 0.000 0.835) 13.186 4.452 ( 7.005 0.000 -4.097) 8.116 4.605 ( -4.314 0.000 -3.378) 5.479 4.711 ( -2.634 0.000 -3.827) 4.646 4.796 ( -2.658 -0.000 9.765) 10.120 4.867 ( 0.221 0.000 2.272) 2.283 4.994 ( 9.497 0.000 -4.698) 10.595 5.816 ( -1.898 0.000 -4.526) 4.908 5.849 ( 2.327 0.000 -3.727) 4.393 5.969 ( -11.864 0.000 3.780) 12.452 5.990 ( -3.429 -0.000 -2.280) 4.118 6.289 ( -11.319 -0.000 7.936) 13.824 6.299 ( -3.115 0.000 1.376) 3.406 6.529 ( 9.441 0.000 -2.129) 9.678 6.623 ( 4.013 0.000 -7.741) 8.719 6.896 ( 1.267 0.000 -3.677) 3.889 7.094 ( 14.070 0.000 9.341) 16.888 7.355 ( -5.925 0.000 -4.891) 7.682 7.424 ( 0.146 0.000 -9.704) 9.706 7.679 ( -2.554 0.000 -6.351) 6.845 7.719 ( 0.588 0.000 -8.959) 8.978 7.835 ( -3.134 0.000 -3.639) 4.803 7.902 ( -1.443 0.000 -2.824) 3.171 8.384 ( 4.106 0.000 -4.143) 5.833 8.400 ( 3.907 -0.000 -1.910) 4.348 8.881 ( -7.232 0.000 -5.559) 9.122 9.073 ( 0.608 0.000 4.550) 4.590 9.195 ( -4.770 -0.000 -7.746) 9.097 9.228 ( -0.165 0.000 -2.853) 2.857 9.973 ( 0.487 0.000 -0.178) 0.518 10.017 ( 2.630 0.000 2.555) 3.666 10.535 ( -7.403 0.000 2.469) 7.804 10.731 ( -4.791 0.000 -4.308) 6.443 10.918 ( 4.310 -0.000 6.039) 7.419 10.932 ( 5.975 0.000 -3.386) 6.868 11.197 ( -4.409 -0.000 -2.393) 5.017 11.553 ( 15.278 0.000 -11.000) 18.826 11.704 ( -1.115 0.000 -6.302) 6.400 11.781 ( 2.849 0.000 -2.151) 3.570 11.988 ( 1.840 0.000 -4.196) 4.582 12.012 ( 4.996 -0.000 -7.601) 9.096 12.645 ( -10.954 0.000 21.632) 24.247 12.659 ( -8.330 -0.000 13.748) 16.074 13.300 ( 7.108 0.000 10.642) 12.797 13.518 ( 1.222 0.000 -5.327) 5.465 13.727 ( 1.742 -0.000 -4.897) 5.197 13.737 ( 17.625 0.000 8.500) 19.568 13.950 ( -0.759 0.000 2.308) 2.430 14.061 ( 2.437 0.000 -2.073) 3.200 14.785 ( -13.595 0.000 5.676) 14.732 14.995 ( -1.905 0.000 3.760) 4.215 15.718 ( -6.103 0.000 -5.724) 8.367 15.771 ( -4.866 0.000 -4.234) 6.450 15.937 ( -4.443 0.000 4.268) 6.161 15.977 ( -2.884 0.000 5.055) 5.820 16.580 ( -7.900 0.000 -3.811) 8.772 17.011 ( 7.162 0.000 -5.321) 8.922 ======================= Grid point 136 (51/108) ======================= q-point: ( 0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 4.381 -0.000 13.931) 14.604 1.571 ( 2.901 0.000 12.168) 12.509 1.939 ( 10.309 0.000 11.557) 15.487 2.050 ( 17.489 0.000 14.563) 22.758 2.683 ( 14.440 0.000 8.625) 16.820 2.880 ( 12.189 0.000 4.607) 13.030 3.030 ( -0.376 0.000 1.836) 1.874 3.280 ( 3.967 0.000 0.354) 3.983 3.426 ( 6.016 -0.000 3.919) 7.179 3.444 ( 7.512 0.000 5.509) 9.316 3.599 ( -8.476 0.000 -6.306) 10.565 3.690 ( -4.274 0.000 -8.331) 9.364 3.905 ( -4.524 0.000 -0.264) 4.532 3.966 ( -0.858 0.000 -1.320) 1.574 3.982 ( -0.685 -0.000 3.423) 3.491 4.084 ( -3.958 0.000 -0.708) 4.021 4.394 ( -8.696 0.000 2.732) 9.115 4.489 ( -5.849 0.000 -3.217) 6.675 4.668 ( -9.259 0.000 10.299) 13.849 4.819 ( 9.062 -0.000 -10.705) 14.026 4.872 ( 1.442 0.000 0.107) 1.446 5.137 ( 3.512 0.000 -4.234) 5.501 5.681 ( -10.092 0.000 -0.535) 10.106 5.686 ( -16.549 0.000 2.398) 16.722 5.877 ( -0.245 0.000 -1.817) 1.833 6.018 ( 3.159 0.000 -7.976) 8.578 6.099 ( -6.956 0.000 6.029) 9.205 6.238 ( -3.176 0.000 2.632) 4.125 6.667 ( 1.010 -0.000 -5.146) 5.244 6.740 ( 11.932 0.000 -4.832) 12.873 6.896 ( -1.604 0.000 -4.309) 4.598 7.184 ( -11.111 -0.000 -1.554) 11.220 7.261 ( -1.228 0.000 -1.596) 2.014 7.511 ( 11.689 0.000 3.996) 12.354 7.633 ( -1.739 0.000 -10.128) 10.277 7.729 ( 0.382 0.000 -4.094) 4.111 7.835 ( 3.472 -0.000 -4.750) 5.883 7.874 ( -0.780 0.000 -1.738) 1.905 8.460 ( 1.087 0.000 0.801) 1.350 8.482 ( 5.465 0.000 -1.014) 5.558 8.773 ( -2.893 0.000 -6.333) 6.962 8.964 ( -10.219 0.000 3.107) 10.680 9.161 ( 0.902 0.000 0.295) 0.948 9.240 ( 1.177 0.000 -1.713) 2.078 9.983 ( 0.462 0.000 0.253) 0.527 10.069 ( 2.597 0.000 4.345) 5.062 10.465 ( -0.441 0.000 -0.053) 0.444 10.634 ( -4.604 0.000 -1.350) 4.798 10.968 ( 1.401 0.000 4.255) 4.480 11.074 ( 5.893 0.000 -0.228) 5.898 11.136 ( 0.699 0.000 0.736) 1.015 11.663 ( -3.111 0.000 -6.300) 7.027 11.762 ( 3.313 0.000 -5.105) 6.085 11.808 ( -0.055 0.000 0.503) 0.506 11.972 ( -4.269 0.000 4.819) 6.438 12.177 ( 12.118 0.000 -12.950) 17.735 12.478 ( -4.857 0.000 20.941) 21.497 12.635 ( 5.646 0.000 2.246) 6.077 13.432 ( 6.259 0.000 4.300) 7.594 13.466 ( -3.123 -0.000 -3.828) 4.940 13.747 ( 0.770 0.000 -4.587) 4.652 13.974 ( 2.570 0.000 4.157) 4.887 14.025 ( 2.897 -0.000 8.131) 8.631 14.139 ( 8.666 0.000 -2.494) 9.017 14.490 ( -13.747 0.000 8.666) 16.251 14.884 ( -9.873 0.000 5.544) 11.323 15.588 ( -6.451 -0.000 -6.564) 9.203 15.628 ( -7.695 0.000 -9.153) 11.958 15.913 ( 1.445 -0.000 0.253) 1.467 15.927 ( -2.037 0.000 1.692) 2.648 16.471 ( -4.618 0.000 -4.549) 6.482 17.054 ( -2.238 0.000 -6.009) 6.412 ======================= Grid point 138 (52/108) ======================= q-point: ( 0.27 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 19.602 -0.000 0.953) 19.625 1.688 ( 9.862 0.000 8.217) 12.837 2.170 ( 12.439 0.000 5.407) 13.563 2.368 ( 14.172 0.000 10.599) 17.697 2.875 ( 4.530 -0.000 4.729) 6.548 2.988 ( 1.329 0.000 4.845) 5.024 3.077 ( 6.799 0.000 0.203) 6.802 3.307 ( -5.655 0.000 0.054) 5.655 3.433 ( -2.068 0.000 -2.516) 3.257 3.495 ( -1.581 0.000 3.332) 3.688 3.604 ( -1.959 -0.000 -0.174) 1.967 3.707 ( 15.737 0.000 2.014) 15.866 3.897 ( -5.548 0.000 -7.632) 9.435 3.918 ( 2.667 -0.000 -7.084) 7.569 3.967 ( -2.157 -0.000 7.973) 8.260 4.000 ( -2.892 0.000 -3.120) 4.254 4.241 ( -6.055 0.000 2.517) 6.558 4.402 ( -5.925 0.000 5.412) 8.025 4.528 ( -1.058 0.000 0.243) 1.086 4.854 ( -0.181 0.000 0.266) 0.322 5.027 ( 8.903 -0.000 -13.153) 15.883 5.098 ( -7.670 0.000 -1.191) 7.762 5.360 ( -16.940 -0.000 2.383) 17.107 5.476 ( -10.413 0.000 -3.470) 10.976 5.826 ( -5.133 -0.000 -1.654) 5.393 6.008 ( 0.030 0.000 5.453) 5.453 6.097 ( 1.679 0.000 -9.655) 9.799 6.190 ( -1.576 0.000 4.937) 5.182 6.680 ( 0.866 -0.000 -1.170) 1.456 6.776 ( -8.224 0.000 -0.356) 8.232 6.975 ( -0.612 0.000 0.429) 0.747 7.019 ( 5.422 -0.000 -12.139) 13.295 7.144 ( -8.775 0.000 -1.561) 8.913 7.607 ( -1.115 0.000 -13.460) 13.506 7.732 ( 7.966 0.000 4.553) 9.176 7.755 ( 2.678 -0.000 3.986) 4.802 7.904 ( 4.901 0.000 -0.094) 4.902 7.931 ( 5.665 -0.000 -4.678) 7.347 8.415 ( -5.101 0.000 1.040) 5.206 8.548 ( -0.864 -0.000 7.657) 7.706 8.789 ( 3.657 0.000 -4.328) 5.666 8.794 ( -4.802 -0.000 -2.612) 5.466 9.184 ( 1.235 0.000 4.198) 4.375 9.257 ( 0.256 0.000 -2.003) 2.019 9.994 ( 0.834 0.000 1.878) 2.055 10.110 ( 1.654 0.000 6.518) 6.725 10.497 ( 3.327 -0.000 0.310) 3.341 10.577 ( -0.972 0.000 2.774) 2.939 10.981 ( 0.084 0.000 1.883) 1.885 11.063 ( -1.503 -0.000 2.075) 2.562 11.299 ( 10.042 0.000 3.766) 10.725 11.593 ( -3.851 0.000 -5.688) 6.869 11.718 ( -6.196 0.000 7.463) 9.700 11.752 ( -4.833 0.000 -4.657) 6.711 11.863 ( -5.628 -0.000 10.731) 12.117 12.350 ( 1.415 0.000 5.712) 5.885 12.523 ( 10.617 0.000 -1.111) 10.675 12.785 ( 7.715 0.000 -4.124) 8.748 13.441 ( 1.012 0.000 -0.697) 1.228 13.563 ( 8.294 0.000 -3.371) 8.953 13.756 ( -0.066 0.000 -1.965) 1.966 13.983 ( -5.219 0.000 7.790) 9.377 14.022 ( 1.979 0.000 3.393) 3.928 14.077 ( -9.850 -0.000 0.505) 9.863 14.455 ( 3.861 0.000 4.503) 5.932 14.632 ( -15.608 0.000 5.445) 16.531 15.498 ( -2.907 -0.000 -5.721) 6.417 15.518 ( -3.662 0.000 -15.313) 15.744 15.904 ( -0.183 -0.000 -3.111) 3.116 15.977 ( 5.214 0.000 -2.149) 5.639 16.378 ( -5.336 0.000 -5.840) 7.911 16.950 ( -8.072 0.000 -6.440) 10.326 ======================= Grid point 140 (53/108) ======================= q-point: ( 0.36 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 15.718 0.000 1.539) 15.793 2.090 ( 24.933 0.000 -6.109) 25.670 2.379 ( 8.861 0.000 3.132) 9.398 2.542 ( 3.592 0.000 6.724) 7.623 2.931 ( 3.584 -0.000 2.233) 4.223 2.956 ( -7.307 0.000 1.964) 7.567 3.187 ( -1.120 0.000 -2.102) 2.382 3.223 ( 5.783 0.000 0.303) 5.791 3.381 ( -6.239 0.000 -1.051) 6.326 3.409 ( -9.035 0.000 2.225) 9.305 3.538 ( -2.575 0.000 -0.567) 2.637 3.834 ( 0.469 -0.000 -8.886) 8.899 3.871 ( -6.716 0.000 12.078) 13.820 3.946 ( 2.668 0.000 -8.271) 8.691 4.024 ( 1.926 0.000 1.285) 2.315 4.026 ( 15.745 -0.000 4.216) 16.299 4.195 ( 1.498 0.000 0.096) 1.501 4.273 ( -5.379 -0.000 6.001) 8.059 4.623 ( 7.528 0.000 -5.280) 9.195 4.851 ( -1.006 -0.000 -2.104) 2.332 4.870 ( -14.156 0.000 -0.346) 14.160 5.024 ( -13.285 -0.000 -1.150) 13.334 5.198 ( 4.875 0.000 -9.118) 10.340 5.314 ( -6.354 0.000 -4.720) 7.915 5.702 ( -6.594 -0.000 -1.995) 6.889 6.021 ( -3.296 0.000 -4.266) 5.391 6.092 ( 0.472 0.000 -1.488) 1.561 6.176 ( -0.117 0.000 6.781) 6.783 6.627 ( -4.674 -0.000 2.174) 5.155 6.709 ( 2.103 0.000 0.626) 2.194 6.893 ( -3.485 0.000 1.319) 3.727 6.961 ( -9.829 -0.000 1.073) 9.887 7.220 ( 9.870 0.000 -14.947) 17.911 7.572 ( -2.744 0.000 -15.723) 15.961 7.827 ( 3.830 0.000 5.054) 6.341 7.832 ( 5.206 -0.000 7.880) 9.445 8.028 ( 4.115 0.000 -0.021) 4.115 8.032 ( 6.660 -0.000 -0.306) 6.667 8.303 ( -5.867 0.000 -1.170) 5.982 8.424 ( -9.536 0.000 11.565) 14.989 8.807 ( 3.577 -0.000 -6.608) 7.514 8.867 ( 3.645 0.000 -2.767) 4.576 9.205 ( 0.893 -0.000 6.489) 6.550 9.245 ( -1.351 0.000 -0.934) 1.643 10.020 ( 1.968 0.000 4.492) 4.904 10.127 ( 0.025 0.000 8.443) 8.443 10.574 ( 4.249 -0.000 2.463) 4.911 10.596 ( 2.491 0.000 6.905) 7.341 10.979 ( -0.092 0.000 -0.245) 0.262 11.047 ( -0.399 0.000 3.533) 3.555 11.407 ( -0.794 0.000 4.044) 4.121 11.566 ( 2.259 0.000 -4.921) 5.415 11.579 ( -7.310 -0.000 9.996) 12.383 11.656 ( -4.801 0.000 -7.084) 8.557 11.811 ( 1.573 -0.000 14.191) 14.277 12.291 ( -6.327 0.000 17.630) 18.731 12.733 ( 9.242 0.000 -8.995) 12.896 12.888 ( 2.982 0.000 -4.915) 5.749 13.510 ( 5.714 0.000 0.446) 5.732 13.723 ( 1.227 0.000 -6.418) 6.534 13.765 ( 7.164 0.000 -1.380) 7.295 13.863 ( -4.906 0.000 6.337) 8.014 13.962 ( -2.913 -0.000 -2.435) 3.797 14.043 ( 0.616 0.000 1.405) 1.534 14.331 ( -14.850 0.000 4.276) 15.454 14.452 ( -4.322 0.000 2.071) 4.793 15.467 ( -0.614 -0.000 -5.144) 5.181 15.479 ( -0.878 0.000 -15.150) 15.176 15.926 ( 2.540 -0.000 -7.491) 7.910 16.105 ( 7.372 0.000 -5.133) 8.983 16.272 ( -5.035 0.000 -6.896) 8.538 16.765 ( -10.860 0.000 -6.804) 12.815 ======================= Grid point 142 (54/108) ======================= q-point: ( 0.45 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 17.146 0.000 -1.269) 17.193 2.505 ( 4.722 -0.000 1.798) 5.053 2.512 ( 12.388 -0.000 -6.867) 14.164 2.518 ( -6.593 0.000 7.326) 9.856 2.789 ( 0.091 -0.000 -8.935) 8.936 3.027 ( 1.846 0.000 -3.643) 4.084 3.115 ( -14.212 0.000 -1.309) 14.272 3.209 ( -6.851 -0.000 2.085) 7.161 3.255 ( 1.426 0.000 -1.020) 1.753 3.279 ( 0.597 0.000 0.516) 0.789 3.589 ( 4.894 0.000 4.440) 6.607 3.705 ( -7.726 -0.000 8.051) 11.158 3.919 ( 4.872 -0.000 -5.145) 7.086 3.977 ( -0.520 0.000 -7.263) 7.281 4.081 ( 4.062 0.000 7.522) 8.549 4.156 ( -3.373 0.000 10.167) 10.712 4.277 ( 7.348 0.000 -0.725) 7.384 4.342 ( 11.619 0.000 0.554) 11.632 4.541 ( -11.341 0.000 -2.973) 11.724 4.675 ( -14.797 -0.000 -1.981) 14.929 4.834 ( 7.235 -0.000 -6.138) 9.488 4.914 ( -1.163 0.000 -3.898) 4.068 5.236 ( -1.477 0.000 -4.341) 4.586 5.249 ( -0.797 -0.000 -7.082) 7.127 5.660 ( 4.443 0.000 -4.651) 6.432 5.841 ( -12.004 0.000 -8.129) 14.497 6.143 ( 2.668 0.000 4.978) 5.648 6.173 ( -0.565 -0.000 6.484) 6.509 6.628 ( 4.130 -0.000 0.790) 4.205 6.731 ( -2.898 0.000 -3.503) 4.547 6.808 ( -2.898 0.000 7.313) 7.866 6.836 ( -2.732 -0.000 3.573) 4.498 7.382 ( 7.179 0.000 -15.859) 17.408 7.498 ( -4.980 0.000 -16.094) 16.847 7.901 ( 3.548 0.000 5.931) 6.911 7.923 ( 2.558 -0.000 6.974) 7.428 8.091 ( 3.362 -0.000 9.917) 10.472 8.125 ( 2.537 0.000 1.964) 3.208 8.215 ( -2.851 0.000 -6.014) 6.656 8.248 ( -7.677 0.000 6.063) 9.782 8.874 ( 2.964 -0.000 -6.091) 6.774 8.905 ( 0.075 0.000 -4.204) 4.205 9.215 ( 0.219 -0.000 6.210) 6.214 9.222 ( -0.760 0.000 2.824) 2.924 10.066 ( 2.618 0.000 7.453) 7.899 10.110 ( -1.766 0.000 9.019) 9.190 10.640 ( 2.145 -0.000 5.688) 6.079 10.644 ( 1.701 0.000 8.481) 8.650 10.989 ( 1.414 0.000 0.070) 1.416 11.028 ( -1.975 0.000 3.316) 3.860 11.383 ( 0.859 0.000 3.314) 3.423 11.452 ( -5.698 0.000 6.595) 8.715 11.588 ( -0.228 0.000 -5.654) 5.658 11.593 ( -1.486 -0.000 -6.471) 6.639 11.934 ( 9.779 0.000 18.304) 20.752 12.130 ( -9.942 0.000 19.514) 21.901 12.860 ( 4.287 -0.000 -7.200) 8.380 12.907 ( -0.752 0.000 -5.614) 5.665 13.620 ( 4.731 0.000 -0.119) 4.732 13.685 ( -2.684 0.000 -0.483) 2.727 13.832 ( 1.474 0.000 0.893) 1.723 13.871 ( -0.124 0.000 -4.281) 4.283 13.960 ( 3.168 -0.000 0.167) 3.172 14.084 ( -7.672 0.000 4.300) 8.795 14.123 ( 6.458 0.000 -3.391) 7.294 14.311 ( -9.663 0.000 -1.815) 9.832 15.465 ( 0.189 -0.000 -6.683) 6.685 15.470 ( -0.317 0.000 -10.644) 10.649 16.001 ( 5.167 -0.000 -9.852) 11.125 16.112 ( -5.757 -0.000 -9.890) 11.443 16.332 ( 10.243 0.000 -5.556) 11.653 16.547 ( -11.695 0.000 -6.660) 13.458 ======================= Grid point 165 (55/108) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 0.000 22.090) 22.090 1.900 ( 0.000 0.000 18.936) 18.936 2.343 ( 0.000 0.000 13.364) 13.364 2.384 ( 0.000 0.000 11.012) 11.012 2.405 ( 0.000 0.000 14.202) 14.202 2.658 ( 0.000 0.000 7.903) 7.903 2.999 ( 0.000 0.000 12.904) 12.904 3.093 ( 0.000 0.000 -6.279) 6.279 3.189 ( 0.000 0.000 2.866) 2.866 3.359 ( 0.000 0.000 9.587) 9.587 3.549 ( 0.000 0.000 -15.995) 15.995 3.717 ( 0.000 0.000 -4.254) 4.254 4.007 ( 0.000 0.000 -4.567) 4.567 4.045 ( 0.000 0.000 -13.670) 13.670 4.398 ( 0.000 0.000 7.518) 7.518 4.448 ( 0.000 0.000 -11.896) 11.896 4.455 ( 0.000 0.000 8.021) 8.021 4.465 ( 0.000 0.000 3.061) 3.061 4.597 ( 0.000 0.000 2.732) 2.732 4.685 ( 0.000 0.000 6.330) 6.330 4.878 ( 0.000 0.000 10.874) 10.874 5.434 ( 0.000 0.000 4.545) 4.545 5.515 ( 0.000 0.000 -6.448) 6.448 5.785 ( 0.000 0.000 8.292) 8.292 5.969 ( 0.000 0.000 -3.337) 3.337 6.216 ( 0.000 0.000 -2.100) 2.100 6.295 ( 0.000 0.000 0.176) 0.176 6.466 ( 0.000 0.000 -2.741) 2.741 6.556 ( 0.000 0.000 -8.232) 8.232 6.587 ( 0.000 0.000 -2.904) 2.904 6.847 ( 0.000 0.000 14.835) 14.835 7.037 ( 0.000 0.000 -12.542) 12.542 7.146 ( 0.000 0.000 -2.396) 2.396 7.150 ( 0.000 0.000 -3.865) 3.865 7.350 ( 0.000 0.000 -18.669) 18.669 7.668 ( 0.000 0.000 -7.530) 7.530 7.866 ( 0.000 0.000 -5.012) 5.012 8.030 ( 0.000 0.000 3.804) 3.804 8.064 ( 0.000 0.000 -4.892) 4.892 8.363 ( 0.000 0.000 -2.821) 2.821 8.694 ( 0.000 0.000 2.524) 2.524 9.080 ( 0.000 0.000 1.612) 1.612 9.118 ( 0.000 0.000 -0.012) 0.012 9.344 ( 0.000 0.000 -5.489) 5.489 9.901 ( 0.000 0.000 2.430) 2.430 10.124 ( 0.000 0.000 3.969) 3.969 10.491 ( 0.000 0.000 -4.291) 4.291 10.708 ( 0.000 0.000 -6.313) 6.313 10.898 ( 0.000 0.000 5.000) 5.000 11.117 ( 0.000 0.000 -4.042) 4.042 11.168 ( 0.000 0.000 2.767) 2.767 11.347 ( 0.000 0.000 0.540) 0.540 11.392 ( 0.000 0.000 -10.227) 10.227 11.651 ( 0.000 0.000 -6.738) 6.738 11.662 ( 0.000 0.000 -7.761) 7.761 12.003 ( 0.000 0.000 -6.628) 6.628 13.022 ( 0.000 0.000 5.804) 5.804 13.083 ( 0.000 0.000 10.070) 10.070 13.306 ( 0.000 0.000 -4.413) 4.413 13.482 ( 0.000 0.000 15.608) 15.608 13.502 ( 0.000 0.000 -6.014) 6.014 13.865 ( 0.000 0.000 7.564) 7.564 13.983 ( 0.000 0.000 1.675) 1.675 14.079 ( 0.000 0.000 1.529) 1.529 14.976 ( 0.000 0.000 9.003) 9.003 15.113 ( 0.000 0.000 2.709) 2.709 15.552 ( 0.000 0.000 -6.205) 6.205 15.811 ( 0.000 0.000 -6.919) 6.919 16.116 ( 0.000 0.000 4.975) 4.975 16.185 ( 0.000 0.000 9.604) 9.604 16.612 ( 0.000 0.000 -5.039) 5.039 16.822 ( 0.000 0.000 -5.109) 5.109 ======================= Grid point 166 (56/108) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 10.304 0.000 19.326) 21.901 1.809 ( -7.424 0.000 23.768) 24.901 2.284 ( -5.562 0.000 12.262) 13.464 2.384 ( 3.366 0.000 13.758) 14.164 2.561 ( 11.891 0.000 5.050) 12.919 2.720 ( 5.511 0.000 6.571) 8.576 2.977 ( -1.531 0.000 11.824) 11.922 3.126 ( 3.500 0.000 -6.099) 7.032 3.178 ( 1.906 0.000 2.437) 3.093 3.513 ( 10.292 0.000 9.661) 14.116 3.532 ( -1.905 0.000 -13.895) 14.025 3.719 ( 0.810 0.000 -4.872) 4.939 3.967 ( -7.735 0.000 -14.361) 16.311 3.976 ( -4.860 0.000 -6.347) 7.994 4.217 ( -9.952 0.000 -2.299) 10.214 4.367 ( -3.620 0.000 2.986) 4.693 4.409 ( -3.964 0.000 8.733) 9.591 4.574 ( 1.780 0.000 -3.362) 3.805 4.594 ( 0.332 0.000 6.139) 6.148 4.803 ( 9.164 0.000 5.366) 10.619 4.887 ( 0.600 0.000 9.845) 9.863 5.364 ( -6.144 0.000 4.648) 7.704 5.554 ( 1.334 0.000 -5.397) 5.559 5.788 ( -1.025 0.000 6.267) 6.350 5.889 ( -6.023 0.000 -4.474) 7.503 6.135 ( -9.784 0.000 -0.261) 9.787 6.136 ( -6.683 0.000 -0.635) 6.713 6.432 ( -3.021 0.000 -1.836) 3.535 6.544 ( -1.293 0.000 -6.707) 6.831 6.793 ( 13.259 0.000 -3.351) 13.676 6.883 ( 2.019 0.000 -0.682) 2.131 7.007 ( -1.091 0.000 -4.059) 4.203 7.128 ( -1.320 0.000 -2.283) 2.637 7.177 ( 2.889 0.000 -2.861) 4.066 7.423 ( 6.325 0.000 -15.745) 16.968 7.626 ( -4.307 0.000 -6.716) 7.978 7.852 ( -0.683 0.000 -4.112) 4.168 8.035 ( 0.748 0.000 4.636) 4.696 8.100 ( 3.751 0.000 -5.041) 6.283 8.450 ( 8.217 0.000 -2.488) 8.586 8.662 ( -3.112 0.000 2.206) 3.815 9.102 ( -1.784 0.000 0.332) 1.814 9.126 ( 4.381 0.000 2.653) 5.122 9.306 ( -4.205 0.000 -4.455) 6.126 9.918 ( 1.737 0.000 2.662) 3.178 10.146 ( 2.151 0.000 4.645) 5.119 10.423 ( -4.206 0.000 -1.657) 4.520 10.711 ( -0.364 0.000 -2.598) 2.624 10.949 ( 6.351 0.000 -1.070) 6.440 11.077 ( -6.236 0.000 1.163) 6.343 11.205 ( 2.052 0.000 3.884) 4.393 11.380 ( 7.555 0.000 -7.767) 10.835 11.447 ( 3.090 0.000 -6.684) 7.363 11.735 ( 7.900 0.000 -7.701) 11.032 11.743 ( 7.769 0.000 -7.627) 10.888 11.959 ( -4.523 0.000 -6.372) 7.814 12.896 ( -9.079 0.000 11.588) 14.722 13.042 ( -3.838 0.000 12.478) 13.055 13.294 ( -0.517 0.000 -2.524) 2.576 13.545 ( 3.928 0.000 -6.651) 7.724 13.673 ( 15.526 0.000 7.378) 17.190 13.794 ( -6.103 0.000 6.873) 9.191 14.009 ( 2.274 0.000 0.135) 2.278 14.101 ( 1.108 0.000 -0.061) 1.110 14.938 ( -3.723 0.000 8.821) 9.575 15.087 ( -2.919 0.000 3.742) 4.746 15.508 ( -7.276 0.000 -5.423) 9.075 15.682 ( -10.733 0.000 -5.569) 12.092 16.049 ( -4.406 0.000 5.144) 6.773 16.137 ( -4.837 0.000 9.029) 10.243 16.569 ( -4.235 0.000 -5.295) 6.780 16.855 ( 1.757 0.000 -7.748) 7.944 ======================= Grid point 167 (57/108) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -1.952 0.000 21.752) 21.840 1.754 ( 15.722 0.000 13.516) 20.733 2.241 ( 0.956 0.000 10.698) 10.740 2.417 ( -0.977 0.000 13.439) 13.474 2.748 ( 6.153 0.000 -1.192) 6.267 2.861 ( 9.064 0.000 4.117) 9.955 2.984 ( 3.100 0.000 9.248) 9.753 3.234 ( 7.918 0.000 -5.549) 9.669 3.294 ( 9.916 0.000 2.224) 10.162 3.467 ( -5.231 0.000 -9.130) 10.522 3.620 ( 1.247 0.000 6.690) 6.805 3.710 ( -16.327 0.000 -15.888) 22.782 3.781 ( 4.862 0.000 -4.031) 6.316 3.865 ( -6.601 0.000 -5.149) 8.372 4.127 ( -1.018 0.000 -3.121) 3.282 4.246 ( -9.010 0.000 -5.495) 10.553 4.344 ( -2.237 0.000 12.489) 12.688 4.596 ( 1.138 0.000 -2.904) 3.119 4.628 ( 3.018 0.000 10.298) 10.731 4.891 ( -0.265 0.000 7.553) 7.558 4.899 ( -1.808 0.000 8.110) 8.309 5.263 ( -2.420 0.000 1.026) 2.628 5.417 ( -14.288 0.000 -1.235) 14.341 5.714 ( -6.312 0.000 2.681) 6.858 5.900 ( 5.552 0.000 -7.532) 9.357 5.952 ( -10.222 0.000 -4.408) 11.132 6.007 ( -6.407 0.000 2.948) 7.053 6.369 ( -2.616 0.000 0.838) 2.747 6.534 ( 0.911 0.000 -9.366) 9.410 6.887 ( -0.708 0.000 -17.572) 17.586 6.942 ( 1.166 0.000 -3.808) 3.983 6.990 ( -2.671 0.000 1.280) 2.961 7.174 ( 7.025 0.000 1.734) 7.236 7.274 ( 7.460 0.000 2.776) 7.960 7.517 ( -6.365 0.000 -4.304) 7.684 7.550 ( 6.335 0.000 -12.503) 14.016 7.866 ( 2.270 0.000 -2.855) 3.647 8.064 ( 2.380 0.000 7.770) 8.126 8.202 ( 6.692 0.000 -6.428) 9.279 8.584 ( -4.674 0.000 2.224) 5.176 8.639 ( 10.657 0.000 -1.925) 10.829 9.041 ( -5.075 0.000 3.401) 6.110 9.190 ( -7.084 0.000 -4.084) 8.177 9.227 ( 5.677 0.000 3.896) 6.886 9.966 ( 3.230 0.000 3.874) 5.044 10.201 ( 3.440 0.000 6.464) 7.322 10.392 ( 1.103 0.000 1.010) 1.496 10.716 ( 1.103 0.000 0.256) 1.132 10.997 ( -1.378 0.000 2.766) 3.090 11.105 ( 7.832 0.000 -3.668) 8.648 11.155 ( -3.311 0.000 6.202) 7.031 11.483 ( 0.723 0.000 -6.432) 6.472 11.618 ( 14.046 0.000 -12.603) 18.872 11.835 ( -7.586 0.000 -6.130) 9.753 11.895 ( 6.726 0.000 -5.448) 8.656 11.914 ( 8.960 0.000 -5.171) 10.345 12.752 ( -5.040 0.000 16.468) 17.222 12.971 ( -2.944 0.000 11.164) 11.546 13.314 ( 3.132 0.000 0.392) 3.156 13.628 ( 3.776 0.000 -6.911) 7.876 13.676 ( -4.805 0.000 4.442) 6.544 13.945 ( 8.870 0.000 5.652) 10.518 14.067 ( 5.521 0.000 -5.395) 7.720 14.095 ( -1.845 0.000 -3.140) 3.642 14.844 ( -5.921 0.000 8.473) 10.336 14.989 ( -7.579 0.000 5.520) 9.376 15.181 ( -22.081 0.000 -2.897) 22.270 15.571 ( -3.104 0.000 -5.783) 6.563 15.986 ( -2.094 0.000 1.406) 2.522 16.020 ( -6.670 0.000 7.255) 9.856 16.462 ( -6.587 0.000 -6.017) 8.921 16.841 ( -3.545 0.000 -10.540) 11.120 ======================= Grid point 168 (58/108) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 10.742 0.000 9.180) 14.130 2.056 ( 14.345 0.000 8.451) 16.649 2.298 ( 4.439 0.000 10.878) 11.749 2.367 ( -2.204 0.000 8.388) 8.673 2.796 ( -0.645 0.000 -0.471) 0.799 3.051 ( 10.233 0.000 3.255) 10.739 3.088 ( 6.610 0.000 5.895) 8.857 3.278 ( -14.307 0.000 -15.189) 20.866 3.421 ( 9.744 0.000 -2.074) 9.962 3.467 ( -6.287 0.000 -4.316) 7.626 3.494 ( 7.718 0.000 1.758) 7.916 3.637 ( 3.018 0.000 -0.160) 3.022 3.725 ( -8.235 0.000 -6.223) 10.322 3.860 ( 2.656 0.000 -5.198) 5.837 4.043 ( -10.354 0.000 -7.203) 12.613 4.138 ( 1.723 0.000 -0.862) 1.927 4.338 ( 1.771 0.000 14.558) 14.665 4.629 ( 2.144 0.000 -3.624) 4.211 4.678 ( 1.153 0.000 14.504) 14.550 4.740 ( -11.835 0.000 6.797) 13.648 4.880 ( -0.808 0.000 1.378) 1.597 5.116 ( -15.901 0.000 0.172) 15.902 5.254 ( -1.225 0.000 -0.728) 1.424 5.566 ( -9.035 0.000 -1.149) 9.108 5.732 ( -11.993 0.000 -6.673) 13.725 5.927 ( -0.347 0.000 6.952) 6.961 5.958 ( -1.716 0.000 -8.138) 8.317 6.382 ( 4.633 0.000 1.758) 4.955 6.580 ( 3.478 0.000 -14.056) 14.480 6.873 ( -1.114 0.000 -16.870) 16.906 6.888 ( -7.369 0.000 -1.570) 7.535 6.916 ( -2.582 0.000 -2.041) 3.291 7.306 ( 4.883 0.000 3.846) 6.216 7.421 ( -2.437 0.000 -0.549) 2.499 7.440 ( 9.197 0.000 3.720) 9.921 7.657 ( 4.864 0.000 -9.967) 11.091 7.928 ( 3.869 0.000 -2.378) 4.541 8.127 ( 4.129 0.000 10.801) 11.563 8.345 ( 7.892 0.000 -6.751) 10.386 8.482 ( -5.958 0.000 3.486) 6.903 8.843 ( 10.334 0.000 -2.378) 10.604 8.899 ( -9.178 0.000 8.313) 12.383 9.068 ( -5.652 0.000 -6.516) 8.626 9.321 ( 3.579 0.000 3.267) 4.846 10.044 ( 5.013 0.000 7.180) 8.757 10.269 ( 3.440 0.000 9.035) 9.668 10.455 ( 5.176 0.000 3.488) 6.241 10.751 ( 2.484 0.000 1.968) 3.169 11.033 ( 5.024 0.000 5.314) 7.313 11.049 ( -4.842 0.000 2.805) 5.595 11.284 ( 7.072 0.000 0.041) 7.072 11.475 ( -1.628 0.000 -7.884) 8.050 11.669 ( -8.871 0.000 -4.886) 10.128 11.842 ( 8.237 0.000 -7.553) 11.176 11.965 ( -0.227 0.000 -0.644) 0.683 12.080 ( 9.687 0.000 -4.570) 10.711 12.727 ( 2.209 0.000 13.902) 14.076 12.936 ( -0.927 0.000 9.599) 9.644 13.426 ( 8.498 0.000 1.795) 8.685 13.595 ( -1.894 0.000 -0.778) 2.048 13.716 ( 3.695 0.000 -4.738) 6.008 13.968 ( -3.108 0.000 1.302) 3.370 14.042 ( -3.007 0.000 -4.794) 5.659 14.166 ( -1.715 0.000 0.991) 1.981 14.709 ( -8.473 0.000 6.030) 10.400 14.798 ( -12.002 0.000 7.600) 14.206 14.843 ( -8.863 0.000 -10.395) 13.660 15.501 ( -4.643 0.000 -6.487) 7.977 15.913 ( -3.897 0.000 4.297) 5.801 15.975 ( 1.121 0.000 -2.722) 2.944 16.327 ( -7.397 0.000 -6.777) 10.032 16.726 ( -8.171 0.000 -11.724) 14.291 ======================= Grid point 169 (59/108) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 19.134 0.000 -1.708) 19.210 2.207 ( 2.328 0.000 5.280) 5.770 2.402 ( 6.505 0.000 9.226) 11.289 2.436 ( 7.303 0.000 -2.722) 7.794 2.745 ( -4.102 0.000 3.033) 5.101 2.980 ( -10.558 0.000 -12.251) 16.172 3.208 ( 3.971 0.000 1.838) 4.376 3.248 ( 6.663 0.000 2.061) 6.975 3.404 ( -1.367 0.000 0.029) 1.368 3.467 ( -7.271 0.000 -1.144) 7.361 3.510 ( -7.926 0.000 0.918) 7.979 3.639 ( 6.175 0.000 -5.487) 8.260 3.746 ( -10.213 0.000 -7.596) 12.728 3.837 ( 15.522 0.000 -7.514) 17.245 4.042 ( 7.154 0.000 1.993) 7.427 4.157 ( -2.158 0.000 8.508) 8.778 4.402 ( 3.883 0.000 14.171) 14.694 4.523 ( -5.867 0.000 0.029) 5.867 4.639 ( -5.497 0.000 14.276) 15.298 4.703 ( 3.427 0.000 -6.664) 7.493 4.818 ( -10.206 0.000 1.830) 10.369 4.869 ( -5.698 0.000 -4.849) 7.483 5.174 ( -6.325 0.000 0.629) 6.356 5.380 ( -9.874 0.000 -3.880) 10.609 5.541 ( -6.349 0.000 -6.154) 8.842 5.849 ( -8.390 0.000 -7.538) 11.279 6.015 ( 8.823 0.000 8.576) 12.304 6.510 ( 7.512 0.000 1.683) 7.698 6.649 ( 2.261 0.000 -11.908) 12.121 6.712 ( -9.062 0.000 -0.734) 9.091 6.851 ( -1.710 0.000 -21.880) 21.947 6.852 ( -4.156 0.000 0.042) 4.157 7.352 ( 1.698 0.000 4.174) 4.507 7.432 ( 1.487 0.000 2.680) 3.065 7.606 ( 7.818 0.000 1.679) 7.996 7.733 ( 2.944 0.000 -8.252) 8.762 8.006 ( 4.310 0.000 -1.079) 4.443 8.221 ( 5.730 0.000 12.929) 14.142 8.358 ( -6.895 0.000 4.519) 8.244 8.486 ( 5.875 0.000 -2.543) 6.401 8.729 ( -7.254 0.000 6.508) 9.746 8.960 ( -5.909 0.000 -7.090) 9.230 9.029 ( 9.115 0.000 -2.666) 9.497 9.351 ( -0.534 0.000 0.909) 1.054 10.154 ( 6.217 0.000 11.786) 13.325 10.322 ( 1.752 0.000 12.012) 12.139 10.573 ( 6.672 0.000 4.890) 8.272 10.800 ( 1.835 0.000 4.441) 4.806 10.980 ( -1.465 0.000 1.180) 1.881 11.172 ( 8.652 0.000 6.621) 10.895 11.327 ( -3.173 0.000 4.316) 5.356 11.424 ( -3.515 0.000 -8.777) 9.454 11.525 ( -5.164 0.000 -3.912) 6.479 11.886 ( -7.580 0.000 3.854) 8.504 11.990 ( 9.522 0.000 0.908) 9.565 12.276 ( 8.943 0.000 -8.154) 12.103 12.795 ( 3.734 0.000 11.883) 12.456 12.924 ( -0.670 0.000 7.989) 8.017 13.586 ( 2.414 0.000 -1.053) 2.633 13.605 ( 6.017 0.000 -1.932) 6.320 13.797 ( 6.585 0.000 -2.470) 7.033 13.874 ( -6.043 0.000 0.512) 6.065 13.974 ( -13.509 0.000 -0.314) 13.512 14.011 ( 0.562 0.000 -3.635) 3.678 14.504 ( -12.794 0.000 -0.814) 12.820 14.563 ( -12.074 0.000 11.274) 16.519 14.871 ( 7.986 0.000 -14.885) 16.892 15.388 ( -7.159 0.000 -8.479) 11.098 15.883 ( 0.841 0.000 0.617) 1.043 16.034 ( 5.100 0.000 -6.090) 7.943 16.184 ( -7.432 0.000 -6.797) 10.071 16.545 ( -10.339 0.000 -11.715) 15.625 ======================= Grid point 170 (60/108) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 6.014 0.000 -3.208) 6.816 2.420 ( 12.646 0.000 2.203) 12.837 2.425 ( -7.830 0.000 -8.987) 11.919 2.537 ( 3.049 0.000 3.845) 4.907 2.706 ( 7.119 0.000 -0.647) 7.148 2.990 ( 10.546 0.000 -5.366) 11.832 3.036 ( -19.069 0.000 -8.335) 20.811 3.235 ( -12.259 0.000 -5.051) 13.259 3.374 ( 3.089 0.000 2.664) 4.079 3.423 ( -1.363 0.000 1.921) 2.356 3.455 ( 5.609 0.000 0.331) 5.619 3.583 ( -7.325 0.000 -1.393) 7.457 3.796 ( 9.719 0.000 3.709) 10.403 4.006 ( -11.375 0.000 9.506) 14.824 4.169 ( 17.454 0.000 -6.727) 18.706 4.206 ( 10.207 0.000 7.203) 12.493 4.381 ( -7.857 0.000 11.565) 13.982 4.490 ( -12.309 0.000 -2.626) 12.586 4.567 ( 7.920 0.000 -2.960) 8.455 4.673 ( 0.586 0.000 7.412) 7.435 4.711 ( -4.461 0.000 -5.283) 6.914 4.764 ( -6.163 0.000 1.305) 6.300 5.099 ( 1.023 0.000 -1.299) 1.654 5.204 ( -8.273 0.000 -4.518) 9.426 5.529 ( 4.627 0.000 -6.349) 7.857 5.673 ( -9.304 0.000 -7.302) 11.827 6.227 ( 12.521 0.000 8.839) 15.327 6.472 ( -12.679 0.000 8.364) 15.189 6.646 ( 6.557 0.000 2.549) 7.035 6.739 ( 3.894 0.000 -21.304) 21.657 6.760 ( -5.383 0.000 2.161) 5.801 6.806 ( -3.033 0.000 -21.900) 22.109 7.397 ( 2.656 0.000 3.737) 4.585 7.436 ( -1.103 0.000 3.391) 3.566 7.724 ( 4.167 0.000 -2.416) 4.817 7.763 ( -0.038 0.000 -6.210) 6.210 8.100 ( 5.708 0.000 1.956) 6.034 8.223 ( -7.013 0.000 4.309) 8.231 8.344 ( 6.969 0.000 14.049) 15.683 8.478 ( -6.250 0.000 12.983) 14.409 8.717 ( 5.449 0.000 -7.317) 9.123 8.840 ( -6.616 0.000 -7.626) 10.096 9.188 ( 7.329 0.000 -2.341) 7.694 9.302 ( -4.440 0.000 -1.214) 4.603 10.264 ( 4.818 0.000 14.661) 15.432 10.326 ( -1.485 0.000 14.465) 14.541 10.693 ( 5.618 0.000 4.442) 7.162 10.782 ( -3.445 0.000 4.565) 5.719 11.036 ( 6.957 0.000 3.633) 7.848 11.198 ( -8.859 0.000 6.166) 10.794 11.308 ( 3.991 0.000 1.054) 4.128 11.358 ( -2.775 0.000 -6.197) 6.790 11.523 ( 6.010 0.000 0.318) 6.018 11.703 ( -10.734 0.000 4.916) 11.806 12.204 ( 11.383 0.000 1.971) 11.552 12.352 ( -2.282 0.000 -3.032) 3.795 12.853 ( 2.655 0.000 10.051) 10.396 12.901 ( -1.954 0.000 6.860) 7.132 13.619 ( 1.900 0.000 -3.797) 4.246 13.651 ( -0.838 0.000 -3.047) 3.160 13.768 ( -3.523 0.000 0.567) 3.568 13.786 ( -5.292 0.000 -7.097) 8.853 14.000 ( 12.350 0.000 -0.420) 12.357 14.077 ( 5.710 0.000 1.140) 5.823 14.270 ( -10.136 0.000 -3.317) 10.665 14.326 ( -12.368 0.000 9.006) 15.299 15.051 ( 9.866 0.000 -13.408) 16.647 15.232 ( -8.962 0.000 -11.093) 14.261 15.938 ( 4.596 0.000 -2.925) 5.448 16.048 ( -6.666 0.000 -5.530) 8.661 16.165 ( 8.357 0.000 -8.711) 12.071 16.345 ( -10.254 0.000 -10.659) 14.790 ======================= Grid point 176 (61/108) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.000 13.191 19.276) 23.357 1.922 ( 0.000 1.046 16.806) 16.838 2.274 ( 0.000 -3.986 19.739) 20.138 2.419 ( 0.000 2.689 11.379) 11.693 2.449 ( 0.000 2.101 9.089) 9.329 2.491 ( 0.000 -11.293 13.396) 17.521 3.106 ( 0.000 6.225 6.884) 9.281 3.124 ( 0.000 2.765 -6.471) 7.037 3.254 ( 0.000 2.979 0.283) 2.993 3.319 ( 0.000 -3.379 8.317) 8.977 3.480 ( 0.000 0.326 -8.884) 8.890 3.864 ( 0.000 9.229 -8.999) 12.890 3.908 ( 0.000 -9.040 -3.745) 9.785 4.050 ( 0.000 1.691 -7.024) 7.225 4.229 ( 0.000 -10.203 -1.708) 10.345 4.378 ( 0.000 -8.254 -2.170) 8.534 4.475 ( 0.000 2.020 3.477) 4.021 4.579 ( 0.000 9.467 5.585) 10.992 4.580 ( 0.000 -0.761 3.098) 3.190 4.772 ( 0.000 4.205 5.275) 6.745 4.924 ( 0.000 3.434 9.362) 9.972 5.235 ( 0.000 -11.687 2.683) 11.991 5.654 ( 0.000 5.921 -4.041) 7.168 5.769 ( 0.000 -1.558 6.213) 6.405 5.991 ( 0.000 3.051 -1.778) 3.531 6.204 ( 0.000 1.016 -2.759) 2.940 6.320 ( 0.000 -3.267 -1.912) 3.785 6.404 ( 0.000 -0.497 -0.656) 0.823 6.465 ( 0.000 -6.273 -5.219) 8.160 6.573 ( 0.000 -3.191 -3.817) 4.975 6.904 ( 0.000 4.422 12.407) 13.172 7.063 ( 0.000 2.828 -14.697) 14.966 7.063 ( 0.000 -2.841 -0.754) 2.939 7.211 ( 0.000 -0.875 -13.040) 13.070 7.429 ( 0.000 7.445 -9.341) 11.945 7.667 ( 0.000 -0.983 -6.741) 6.812 7.832 ( 0.000 -1.269 -3.347) 3.580 7.960 ( 0.000 -5.208 3.519) 6.285 8.143 ( 0.000 5.709 -5.095) 7.652 8.341 ( 0.000 -2.352 -3.640) 4.334 8.789 ( 0.000 7.774 0.441) 7.787 9.061 ( 0.000 -2.143 0.925) 2.335 9.132 ( 0.000 1.286 -0.361) 1.335 9.276 ( 0.000 -5.286 -4.791) 7.134 9.944 ( 0.000 3.367 2.773) 4.362 10.093 ( 0.000 -2.708 3.887) 4.737 10.548 ( 0.000 4.925 -5.015) 7.029 10.711 ( 0.000 -0.066 -6.457) 6.458 10.904 ( 0.000 0.247 5.937) 5.942 11.013 ( 0.000 -6.878 0.553) 6.900 11.171 ( 0.000 0.797 1.123) 1.377 11.300 ( 0.000 -3.364 -1.568) 3.711 11.490 ( 0.000 5.742 -9.232) 10.872 11.621 ( 0.000 -1.152 -6.927) 7.022 11.731 ( 0.000 4.441 -7.663) 8.857 11.955 ( 0.000 -4.256 -6.751) 7.981 13.033 ( 0.000 0.948 6.517) 6.585 13.077 ( 0.000 -0.634 9.423) 9.445 13.316 ( 0.000 0.970 -3.984) 4.100 13.405 ( 0.000 -3.325 1.935) 3.847 13.602 ( 0.000 5.352 5.921) 7.982 13.815 ( 0.000 -3.988 7.240) 8.266 14.003 ( 0.000 1.428 2.363) 2.761 14.064 ( 0.000 -1.227 2.046) 2.386 15.000 ( 0.000 2.050 7.978) 8.237 15.094 ( 0.000 -1.623 3.599) 3.949 15.596 ( 0.000 3.697 -6.243) 7.256 15.776 ( 0.000 -3.138 -6.712) 7.409 16.123 ( 0.000 0.669 5.778) 5.817 16.172 ( 0.000 -1.131 9.059) 9.129 16.639 ( 0.000 2.430 -5.101) 5.651 16.785 ( 0.000 -3.135 -4.994) 5.897 ======================= Grid point 177 (62/108) ======================= q-point: ( 0.09 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 6.321 10.039 17.316) 20.990 1.873 ( -4.913 5.669 23.008) 24.200 2.205 ( -3.964 -6.655 14.483) 16.424 2.318 ( -1.015 -5.907 14.303) 15.507 2.606 ( 12.798 2.894 7.077) 14.909 2.668 ( 9.789 -1.739 6.415) 11.832 3.084 ( -2.341 5.512 7.561) 9.645 3.166 ( 3.618 4.456 -5.344) 7.842 3.204 ( 0.742 1.841 0.645) 2.087 3.449 ( 4.182 -5.950 -6.621) 9.835 3.498 ( 5.429 0.715 3.607) 6.558 3.802 ( -5.838 2.080 -7.735) 9.912 3.885 ( -3.457 -4.776 -3.922) 7.081 3.997 ( -5.289 3.571 -8.508) 10.636 4.157 ( -7.602 -5.460 -3.398) 9.957 4.280 ( -5.634 -5.743 1.706) 8.224 4.457 ( 2.900 -4.855 -0.284) 5.662 4.532 ( -3.253 8.249 4.959) 10.160 4.673 ( -0.724 2.324 7.437) 7.825 4.842 ( 7.996 3.243 4.625) 9.790 4.933 ( 1.037 2.951 8.298) 8.868 5.199 ( -4.178 -10.433 4.367) 12.057 5.681 ( 2.987 5.315 -5.599) 8.278 5.759 ( -3.643 -0.151 3.252) 4.885 5.904 ( -6.046 1.443 -1.173) 6.326 6.105 ( -11.106 -3.403 -0.980) 11.657 6.198 ( -5.632 5.225 -2.723) 8.150 6.377 ( -1.591 -3.103 1.194) 3.685 6.513 ( 1.371 -2.967 -6.709) 7.463 6.693 ( 8.892 -6.635 -0.465) 11.105 6.867 ( -1.890 -2.523 0.359) 3.173 7.030 ( -2.111 0.664 -13.962) 14.137 7.145 ( 2.167 5.359 -3.408) 6.710 7.266 ( 7.399 2.914 -1.961) 8.190 7.459 ( 3.399 3.652 -11.224) 12.283 7.619 ( -4.564 -1.129 -6.254) 7.824 7.821 ( -0.313 -1.437 -2.290) 2.722 7.969 ( 0.763 -5.057 4.940) 7.110 8.178 ( 3.696 6.041 -5.531) 8.986 8.416 ( 7.138 -3.308 -3.267) 8.519 8.737 ( -4.559 5.768 0.997) 7.420 9.107 ( 2.107 -0.472 0.930) 2.351 9.127 ( 1.189 0.928 0.874) 1.743 9.251 ( -2.892 -4.291 -3.597) 6.302 9.955 ( 1.247 2.861 2.869) 4.240 10.121 ( 2.788 -2.027 4.543) 5.703 10.478 ( -4.607 4.758 -1.451) 6.780 10.704 ( -1.625 -1.549 -3.519) 4.174 10.909 ( 4.616 -2.839 -0.658) 5.459 11.047 ( -0.487 -0.390 4.789) 4.830 11.227 ( 0.754 -0.399 3.915) 4.007 11.361 ( 10.053 -1.122 -8.282) 13.073 11.493 ( 0.555 3.478 -8.694) 9.381 11.702 ( 7.072 -0.894 -6.441) 9.607 11.796 ( 6.494 2.791 -8.367) 10.953 11.928 ( -2.604 -2.714 -6.857) 7.821 12.900 ( -8.589 0.275 10.770) 13.778 13.027 ( -5.471 -1.045 13.613) 14.709 13.329 ( 0.818 2.910 -3.093) 4.324 13.497 ( 5.521 -3.802 -3.951) 7.781 13.687 ( 4.763 0.875 5.207) 7.111 13.804 ( 3.074 0.639 4.064) 5.135 14.009 ( 1.273 0.144 1.477) 1.955 14.087 ( 1.153 -1.057 0.617) 1.682 14.940 ( -5.776 0.185 9.173) 10.841 15.081 ( -2.047 -0.388 4.165) 4.657 15.548 ( -6.388 3.062 -6.060) 9.323 15.680 ( -8.713 -0.294 -5.706) 10.420 16.048 ( -5.669 0.045 5.761) 8.082 16.124 ( -4.740 -1.040 8.599) 9.873 16.540 ( -6.329 -2.095 -4.294) 7.930 16.862 ( 3.427 0.462 -8.170) 8.871 ======================= Grid point 178 (63/108) ======================= q-point: ( 0.18 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -0.735 2.474 19.860) 20.027 1.872 ( 7.352 4.226 16.027) 18.132 2.179 ( 1.812 -2.546 10.759) 11.204 2.386 ( 5.522 -2.902 13.980) 15.308 2.789 ( 6.855 1.822 2.052) 7.384 2.873 ( 9.702 2.648 1.569) 10.178 3.046 ( -0.093 3.851 6.432) 7.497 3.250 ( 6.261 0.996 -3.670) 7.325 3.320 ( 9.655 3.248 -0.600) 10.204 3.433 ( -3.948 -1.595 -8.111) 9.160 3.632 ( -3.185 -6.358 -5.890) 9.234 3.671 ( 0.274 -0.630 0.081) 0.691 3.773 ( -5.518 1.442 -2.927) 6.410 3.867 ( -7.292 2.500 -7.283) 10.605 4.075 ( -0.750 -3.696 -0.947) 3.889 4.158 ( -7.862 -7.284 -5.100) 11.869 4.418 ( -4.329 4.339 8.016) 10.091 4.589 ( 4.784 0.241 -3.386) 5.865 4.643 ( 0.403 0.809 11.532) 11.568 4.903 ( -2.481 2.273 9.981) 10.533 4.932 ( -4.189 0.430 7.682) 8.761 5.137 ( 0.292 -5.859 -0.023) 5.866 5.553 ( -13.640 7.108 -0.814) 15.402 5.708 ( -6.779 -0.516 -0.690) 6.833 5.864 ( 3.272 -2.461 -6.031) 7.290 5.913 ( -8.044 -3.368 -4.058) 9.618 6.080 ( -6.231 6.245 2.128) 9.075 6.352 ( -0.630 -1.230 3.233) 3.516 6.542 ( 2.174 0.830 -8.519) 8.832 6.830 ( 3.406 -6.925 -3.034) 8.292 6.851 ( 1.031 -7.376 -4.748) 8.832 6.980 ( -3.015 0.976 -15.025) 15.355 7.109 ( -3.709 1.224 -0.380) 3.924 7.460 ( 9.812 8.259 1.874) 12.961 7.515 ( -3.449 0.376 -4.063) 5.343 7.564 ( 5.800 0.996 -11.150) 12.608 7.841 ( 2.419 -1.278 -1.504) 3.122 7.995 ( 2.186 -5.684 7.815) 9.907 8.275 ( 6.084 6.223 -6.022) 10.583 8.571 ( 6.439 -5.184 -0.928) 8.319 8.650 ( -2.367 4.211 0.455) 4.852 9.060 ( -5.484 0.766 4.592) 7.194 9.169 ( -3.372 -0.923 -4.436) 5.648 9.222 ( 4.706 -0.640 3.199) 5.726 9.992 ( 2.592 1.942 3.840) 5.024 10.190 ( 4.116 -0.893 6.397) 7.659 10.435 ( 0.475 3.650 1.524) 3.983 10.681 ( -0.043 -3.153 -0.090) 3.154 11.001 ( 1.470 1.662 4.163) 4.718 11.097 ( 8.465 -0.921 -2.651) 8.918 11.176 ( -3.562 0.458 4.649) 5.875 11.497 ( -0.294 0.992 -7.319) 7.392 11.598 ( 10.382 -1.211 -11.250) 15.356 11.806 ( 0.963 -2.199 -4.924) 5.478 11.899 ( 2.380 1.968 -5.873) 6.635 11.952 ( 8.806 1.146 -7.893) 11.881 12.770 ( -4.446 1.628 15.412) 16.123 12.928 ( -3.751 -3.390 13.241) 14.174 13.352 ( 2.295 3.178 -0.276) 3.930 13.586 ( 3.069 -4.973 -1.426) 6.016 13.648 ( -2.851 -0.223 -0.658) 2.934 13.990 ( 7.185 2.862 2.462) 8.116 14.034 ( 0.778 -1.745 -4.235) 4.646 14.105 ( 2.917 0.095 -3.191) 4.324 14.792 ( -9.393 -3.064 11.782) 15.376 14.989 ( -8.209 -0.026 5.276) 9.758 15.299 ( -16.278 8.671 -4.433) 18.968 15.556 ( -4.711 -1.731 -5.985) 7.811 15.967 ( -2.476 -1.659 2.206) 3.708 16.012 ( -6.292 -0.532 6.612) 9.143 16.423 ( -6.182 -2.725 -5.183) 8.515 16.862 ( -3.434 1.378 -10.679) 11.302 ======================= Grid point 179 (64/108) ======================= q-point: ( 0.27 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 9.236 -0.931 9.582) 13.341 2.005 ( 4.866 -5.849 12.968) 15.036 2.285 ( 9.007 2.356 5.680) 10.905 2.480 ( 3.972 5.925 9.867) 12.175 2.848 ( -0.435 4.506 -0.441) 4.548 3.048 ( 8.713 -0.237 2.620) 9.102 3.111 ( 6.422 1.302 4.847) 8.151 3.248 ( -13.208 -2.276 -11.575) 17.709 3.401 ( 6.962 -1.336 -1.656) 7.280 3.459 ( -0.573 -0.246 -3.649) 3.702 3.550 ( 3.577 4.171 -2.351) 5.977 3.673 ( -8.598 -2.384 -7.018) 11.352 3.711 ( 1.022 4.122 -2.231) 4.797 3.827 ( 4.375 -2.778 -4.291) 6.728 3.987 ( -5.575 -3.671 -4.921) 8.293 4.127 ( 3.703 -2.316 0.462) 4.392 4.351 ( -2.193 1.225 10.282) 10.584 4.599 ( -0.697 -0.020 12.986) 13.005 4.682 ( -9.144 -2.218 7.243) 11.874 4.766 ( 2.368 1.153 -4.705) 5.392 4.897 ( -1.779 2.628 6.889) 7.585 5.095 ( -8.344 -0.865 0.175) 8.391 5.311 ( -9.623 3.889 -0.447) 10.389 5.503 ( -12.338 -4.689 -1.873) 13.331 5.761 ( -8.361 1.468 -4.844) 9.774 5.917 ( -0.161 -2.840 -8.804) 9.252 6.009 ( -0.281 6.346 5.017) 8.095 6.368 ( 2.633 -1.171 4.213) 5.104 6.599 ( 3.660 2.212 -10.599) 11.430 6.811 ( -4.608 -5.061 -1.862) 7.093 6.858 ( -1.251 -3.506 -8.367) 9.158 6.913 ( -4.122 -0.260 -14.606) 15.179 7.095 ( 2.997 -8.990 3.683) 10.167 7.425 ( -3.456 0.248 -2.209) 4.109 7.656 ( 8.639 10.366 2.453) 13.715 7.691 ( 6.614 2.844 -8.926) 11.468 7.906 ( 4.162 -1.473 -2.075) 4.878 8.054 ( 3.937 -5.744 9.624) 11.879 8.391 ( 5.159 4.027 -4.591) 7.995 8.527 ( -4.248 2.701 3.612) 6.196 8.763 ( 7.010 -4.422 -2.966) 8.803 8.914 ( -8.400 -0.671 7.774) 11.465 9.116 ( -1.948 3.846 -5.601) 7.068 9.307 ( 3.360 -1.275 3.370) 4.926 10.059 ( 4.569 1.109 6.978) 8.414 10.269 ( 3.942 -0.009 9.069) 9.889 10.490 ( 4.899 2.893 3.715) 6.795 10.713 ( 3.231 -3.092 3.244) 5.525 11.013 ( -0.413 0.228 4.000) 4.028 11.106 ( -1.089 2.204 2.560) 3.550 11.304 ( 9.673 1.792 0.205) 9.840 11.472 ( -2.390 -0.508 -7.297) 7.696 11.629 ( -5.104 -2.396 -6.831) 8.857 11.850 ( 2.752 -1.308 -2.065) 3.681 11.952 ( 1.529 1.316 -1.704) 2.641 12.121 ( 9.305 2.177 -8.541) 12.817 12.745 ( 1.700 1.772 13.762) 13.979 12.895 ( -0.124 -3.528 9.989) 10.594 13.436 ( 6.532 0.967 1.622) 6.799 13.568 ( -1.260 -2.678 0.200) 2.967 13.688 ( 3.791 -1.337 -5.729) 6.999 13.979 ( -3.585 -0.367 -2.547) 4.413 14.025 ( -2.156 -0.156 -2.656) 3.424 14.166 ( -2.926 -0.066 1.338) 3.218 14.627 ( -6.276 -3.088 6.387) 9.472 14.771 ( -13.320 -1.312 7.926) 15.555 15.045 ( -8.981 12.155 -9.328) 17.759 15.470 ( -4.536 -3.313 -6.979) 8.959 15.902 ( -4.359 -0.683 3.743) 5.786 15.964 ( 1.797 -0.961 -1.877) 2.770 16.297 ( -6.989 -2.043 -6.101) 9.499 16.745 ( -8.316 1.314 -11.686) 14.403 ======================= Grid point 180 (65/108) ======================= q-point: ( 0.36 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 18.361 -3.349 -2.418) 18.820 2.087 ( 5.014 -6.232 6.853) 10.533 2.460 ( 7.467 1.562 2.217) 7.944 2.544 ( 2.384 7.484 2.521) 8.249 2.803 ( -4.722 4.917 1.717) 7.030 2.972 ( -8.800 -0.653 -8.349) 12.148 3.207 ( 5.638 -0.939 1.298) 5.861 3.254 ( 4.478 0.882 3.670) 5.857 3.390 ( -11.777 -1.928 -5.071) 12.966 3.436 ( -7.914 -4.510 0.113) 9.109 3.499 ( 2.062 1.317 -3.853) 4.564 3.587 ( 4.163 0.512 -2.598) 4.934 3.798 ( -0.610 0.330 -9.985) 10.009 3.908 ( 11.484 5.783 -4.213) 13.531 4.057 ( 9.370 0.892 1.781) 9.580 4.148 ( -4.394 -0.855 8.488) 9.596 4.357 ( 3.082 -3.320 11.862) 12.697 4.505 ( -4.295 -1.840 3.508) 5.843 4.585 ( -1.328 0.157 10.472) 10.557 4.805 ( -6.644 2.538 -4.450) 8.390 4.843 ( -5.373 0.051 -0.379) 5.387 4.877 ( -5.565 4.136 -0.301) 6.941 5.165 ( -6.361 -0.686 0.943) 6.467 5.297 ( -8.082 -5.161 -3.570) 10.233 5.607 ( -6.763 3.659 -4.688) 9.006 5.842 ( -7.230 -0.533 -8.384) 11.084 6.071 ( 6.339 4.601 6.136) 9.950 6.436 ( 3.108 -5.484 4.607) 7.808 6.663 ( -0.377 0.106 0.384) 0.548 6.689 ( -2.831 -0.924 -10.551) 10.963 6.829 ( -4.292 -0.991 -14.386) 15.045 6.844 ( -0.905 -1.413 -7.705) 7.886 7.176 ( 4.630 -10.615 2.685) 11.888 7.373 ( -2.310 -2.189 -1.206) 3.403 7.795 ( 5.642 7.918 -4.067) 10.538 7.805 ( 5.235 7.342 -1.951) 9.226 7.991 ( 4.498 -1.296 -2.018) 5.097 8.136 ( 4.187 -5.389 10.054) 12.151 8.389 ( -3.901 0.252 6.483) 7.571 8.531 ( 2.481 4.440 -0.267) 5.093 8.733 ( -5.958 0.255 6.153) 8.569 8.875 ( 0.490 -5.114 -5.453) 7.492 9.115 ( 2.750 4.898 -3.986) 6.888 9.337 ( -0.321 -1.249 1.490) 1.970 10.165 ( 6.192 0.770 11.563) 13.139 10.330 ( 2.128 0.624 12.125) 12.326 10.604 ( 6.496 2.511 4.998) 8.572 10.789 ( 3.771 -0.982 6.814) 7.850 10.979 ( -1.334 -0.012 0.823) 1.568 11.146 ( 3.739 -1.547 4.496) 6.049 11.395 ( -2.670 3.831 1.558) 4.923 11.412 ( -2.193 0.391 -7.047) 7.391 11.539 ( -2.429 0.844 -3.718) 4.520 11.826 ( -5.340 -4.451 5.410) 8.809 12.011 ( 6.744 1.349 2.221) 7.227 12.289 ( 6.877 0.839 -10.369) 12.471 12.802 ( 3.201 0.602 12.043) 12.476 12.900 ( 0.163 -1.927 7.254) 7.507 13.558 ( 2.797 -1.914 0.103) 3.390 13.586 ( 4.231 -1.668 -4.531) 6.420 13.766 ( 4.857 -1.730 -3.080) 6.006 13.914 ( -2.561 1.948 -2.356) 3.988 13.955 ( -6.635 -0.119 2.485) 7.086 14.026 ( -4.665 0.307 -1.005) 4.782 14.481 ( -11.241 -1.332 1.806) 11.463 14.528 ( -11.811 -2.175 9.035) 15.029 14.996 ( 3.557 8.975 -15.559) 18.311 15.375 ( -5.600 -1.557 -9.159) 10.848 15.857 ( -0.009 -1.799 -0.034) 1.799 16.034 ( 5.088 -0.340 -4.666) 6.912 16.160 ( -6.900 -1.500 -6.425) 9.547 16.562 ( -10.369 1.194 -11.490) 15.524 ======================= Grid point 181 (66/108) ======================= q-point: ( 0.45 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 8.782 -3.114 -2.749) 9.714 2.347 ( 4.871 -3.120 -8.259) 10.084 2.510 ( 3.147 2.982 -5.810) 7.249 2.582 ( 2.773 2.379 2.800) 4.603 2.709 ( 0.326 1.038 4.163) 4.303 2.934 ( -8.725 -3.591 -7.551) 12.085 3.065 ( -3.556 1.512 -4.628) 6.029 3.205 ( -8.432 -0.554 -1.861) 8.653 3.332 ( 2.933 -2.551 3.406) 5.168 3.362 ( -0.414 -2.638 3.125) 4.110 3.592 ( 4.387 7.835 -3.681) 9.705 3.646 ( -0.304 2.053 -1.041) 2.322 3.810 ( 5.369 2.063 -0.539) 5.777 3.980 ( -10.376 -1.513 9.264) 13.992 4.177 ( 14.853 0.588 -5.529) 15.860 4.249 ( 10.211 3.562 7.930) 13.411 4.427 ( -6.101 2.593 12.526) 14.172 4.464 ( -5.790 -2.388 -0.163) 6.265 4.483 ( 0.357 -4.926 1.304) 5.108 4.639 ( -6.087 -0.606 -2.792) 6.725 4.751 ( -0.755 -0.506 1.139) 1.457 4.816 ( -4.131 4.682 -0.235) 6.248 5.118 ( 1.261 1.321 -2.537) 3.126 5.182 ( -4.756 -1.584 -3.803) 6.292 5.555 ( 2.385 1.843 -5.259) 6.062 5.677 ( -8.844 0.379 -7.253) 11.444 6.226 ( 9.220 0.301 6.832) 11.480 6.396 ( -7.513 -5.344 7.489) 11.878 6.638 ( 2.811 -1.081 -1.202) 3.243 6.704 ( -2.311 -2.561 -6.180) 7.078 6.779 ( 0.924 1.671 -12.843) 12.985 6.818 ( -1.933 0.458 -11.696) 11.864 7.259 ( 3.956 -8.676 0.956) 9.583 7.325 ( -2.883 -5.835 -0.448) 6.524 7.869 ( 2.326 7.060 -6.783) 10.062 7.877 ( 1.731 8.847 -2.787) 9.436 8.081 ( 5.063 -1.395 1.687) 5.515 8.166 ( -2.467 -3.515 5.745) 7.172 8.367 ( 3.293 0.301 12.786) 13.207 8.478 ( -6.640 0.207 12.830) 14.448 8.731 ( 4.493 1.253 -5.987) 7.589 8.826 ( -4.577 -1.190 -6.898) 8.363 9.206 ( 5.525 1.462 -2.166) 6.112 9.298 ( -3.685 -0.443 -0.595) 3.759 10.277 ( 4.972 0.910 14.606) 15.456 10.339 ( -1.373 0.987 14.584) 14.682 10.720 ( 5.290 2.066 4.931) 7.521 10.800 ( -2.713 1.356 6.066) 6.782 11.031 ( 6.584 -0.368 3.626) 7.525 11.160 ( -4.438 -2.433 6.160) 7.973 11.335 ( -0.329 0.583 -4.656) 4.704 11.364 ( -2.582 1.117 -6.487) 7.070 11.553 ( 4.181 2.637 3.506) 6.060 11.684 ( -8.327 -1.572 6.441) 10.644 12.191 ( 10.240 -1.020 2.123) 10.507 12.333 ( -3.083 -1.495 -3.967) 5.242 12.853 ( 2.357 0.004 9.790) 10.070 12.891 ( -1.315 -0.737 6.498) 6.670 13.589 ( 1.471 -1.796 -4.480) 5.045 13.618 ( -1.025 -2.315 -5.443) 6.003 13.798 ( -1.155 1.168 -3.825) 4.163 13.821 ( -4.028 3.292 0.909) 5.281 14.010 ( 11.176 0.579 0.859) 11.224 14.061 ( 5.742 -1.246 -0.102) 5.877 14.259 ( -10.376 -1.419 1.290) 10.552 14.289 ( -12.683 -2.032 5.415) 13.940 15.114 ( 7.370 4.754 -14.804) 17.207 15.253 ( -6.991 1.411 -12.154) 14.092 15.901 ( 4.331 -2.648 -3.138) 5.968 16.009 ( -6.495 -2.773 -5.109) 8.716 16.183 ( 8.196 1.197 -7.887) 11.438 16.363 ( -10.213 1.197 -10.130) 14.435 ======================= Grid point 187 (67/108) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 -10.030 15.420) 18.395 1.838 ( 0.000 10.030 15.420) 18.395 2.283 ( 0.000 -6.197 19.950) 20.890 2.283 ( 0.000 6.197 19.950) 20.890 2.464 ( 0.000 -0.856 9.557) 9.596 2.464 ( 0.000 0.856 9.557) 9.596 3.200 ( 0.000 -2.312 -3.615) 4.291 3.200 ( 0.000 2.312 -3.615) 4.291 3.233 ( 0.000 -3.256 2.652) 4.200 3.233 ( 0.000 3.256 2.652) 4.200 3.660 ( 0.000 -12.584 -2.783) 12.888 3.660 ( 0.000 12.584 -2.783) 12.888 4.036 ( 0.000 -7.258 -6.658) 9.849 4.036 ( 0.000 7.258 -6.658) 9.849 4.173 ( 0.000 -9.188 -0.564) 9.205 4.173 ( 0.000 9.188 -0.564) 9.205 4.537 ( 0.000 -1.240 3.349) 3.571 4.537 ( 0.000 1.240 3.349) 3.571 4.774 ( 0.000 -5.660 2.955) 6.385 4.774 ( 0.000 5.660 2.955) 6.385 5.017 ( 0.000 -6.618 7.610) 10.085 5.017 ( 0.000 6.618 7.610) 10.085 5.730 ( 0.000 -1.365 -0.583) 1.484 5.730 ( 0.000 1.365 -0.583) 1.484 6.126 ( 0.000 -8.517 -0.245) 8.520 6.126 ( 0.000 8.517 -0.245) 8.520 6.318 ( 0.000 -6.510 -5.186) 8.323 6.318 ( 0.000 6.510 -5.186) 8.323 6.477 ( 0.000 -4.203 -1.545) 4.478 6.477 ( 0.000 4.203 -1.545) 4.478 6.997 ( 0.000 -2.139 5.964) 6.336 6.997 ( 0.000 2.139 5.964) 6.336 7.147 ( 0.000 -4.126 -16.416) 16.926 7.147 ( 0.000 4.126 -16.416) 16.926 7.589 ( 0.000 -6.238 -6.126) 8.743 7.589 ( 0.000 6.238 -6.126) 8.743 7.859 ( 0.000 -3.312 0.530) 3.354 7.859 ( 0.000 3.312 0.530) 3.354 8.261 ( 0.000 -4.888 -4.612) 6.721 8.261 ( 0.000 4.888 -4.612) 6.721 8.963 ( 0.000 -6.421 -1.062) 6.509 8.963 ( 0.000 6.421 -1.062) 6.509 9.177 ( 0.000 -3.233 -1.974) 3.787 9.177 ( 0.000 3.233 -1.974) 3.787 10.022 ( 0.000 -3.527 3.511) 4.977 10.022 ( 0.000 3.527 3.511) 4.977 10.666 ( 0.000 -4.799 -7.045) 8.525 10.666 ( 0.000 4.799 -7.045) 8.525 10.913 ( 0.000 -0.525 6.243) 6.265 10.913 ( 0.000 0.525 6.243) 6.265 11.219 ( 0.000 -3.514 -0.917) 3.631 11.219 ( 0.000 3.514 -0.917) 3.631 11.584 ( 0.000 -2.314 -8.331) 8.647 11.584 ( 0.000 2.314 -8.331) 8.647 11.842 ( 0.000 -5.733 -7.122) 9.143 11.842 ( 0.000 5.733 -7.122) 9.143 13.057 ( 0.000 -0.496 7.992) 8.007 13.057 ( 0.000 0.496 7.992) 8.007 13.348 ( 0.000 -2.040 -2.180) 2.986 13.348 ( 0.000 2.040 -2.180) 2.986 13.715 ( 0.000 -5.138 7.123) 8.783 13.715 ( 0.000 5.138 7.123) 8.783 14.034 ( 0.000 -1.167 2.603) 2.852 14.034 ( 0.000 1.167 2.603) 2.852 15.050 ( 0.000 -1.905 5.714) 6.023 15.050 ( 0.000 1.905 5.714) 6.023 15.689 ( 0.000 -4.455 -6.382) 7.783 15.689 ( 0.000 4.455 -6.382) 7.783 16.144 ( 0.000 -1.181 7.542) 7.633 16.144 ( 0.000 1.181 7.542) 7.633 16.707 ( 0.000 -2.100 -5.047) 5.466 16.707 ( 0.000 2.100 -5.047) 5.466 ======================= Grid point 189 (68/108) ======================= q-point: ( 0.09 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.794 0.000 13.928) 13.951 1.977 ( -4.039 0.000 23.115) 23.465 2.089 ( 1.458 0.000 16.919) 16.982 2.212 ( -3.359 -0.000 15.716) 16.071 2.633 ( 9.778 0.000 9.681) 13.759 2.666 ( 14.780 0.000 3.594) 15.211 3.139 ( -2.461 0.000 2.048) 3.202 3.216 ( 0.784 0.000 -2.129) 2.269 3.303 ( 4.952 -0.000 -0.552) 4.983 3.311 ( 6.754 0.000 -1.920) 7.022 3.608 ( -2.350 -0.000 -3.170) 3.946 3.639 ( -5.222 0.000 -4.314) 6.774 3.948 ( -2.626 0.000 -3.287) 4.207 4.035 ( -5.515 0.000 -3.894) 6.751 4.094 ( -4.849 0.000 -0.987) 4.949 4.180 ( -7.402 0.000 -4.985) 8.924 4.392 ( 4.153 0.000 0.924) 4.255 4.671 ( -1.118 0.000 11.871) 11.924 4.693 ( -6.619 -0.000 -0.139) 6.620 4.889 ( 10.955 0.000 0.016) 10.955 4.971 ( -0.825 0.000 9.814) 9.849 5.043 ( -2.239 0.000 8.369) 8.663 5.689 ( 0.077 0.000 -5.074) 5.074 5.819 ( 4.000 0.000 0.798) 4.078 5.958 ( -10.580 0.000 -2.459) 10.862 6.007 ( -13.293 0.000 0.588) 13.306 6.295 ( -3.824 0.000 -6.352) 7.414 6.346 ( -0.164 0.000 2.786) 2.791 6.466 ( 4.785 0.000 -7.640) 9.015 6.582 ( 4.171 0.000 4.270) 5.969 6.833 ( -4.321 -0.000 -1.051) 4.446 7.058 ( -2.592 0.000 -16.445) 16.648 7.199 ( 1.432 0.000 -10.548) 10.645 7.300 ( 14.665 0.000 2.127) 14.818 7.545 ( -2.501 -0.000 -8.116) 8.492 7.570 ( -2.522 0.000 -5.462) 6.016 7.817 ( -0.689 0.000 2.206) 2.311 7.892 ( 0.542 0.000 2.016) 2.088 8.297 ( 4.715 0.000 -4.198) 6.313 8.330 ( 5.424 -0.000 -4.904) 7.312 8.822 ( -7.003 0.000 0.051) 7.003 9.088 ( 4.963 0.000 -0.798) 5.027 9.166 ( -1.551 -0.000 1.950) 2.492 9.171 ( -0.049 0.000 -3.481) 3.482 10.001 ( 0.038 0.000 3.125) 3.125 10.086 ( 4.234 0.000 4.477) 6.162 10.577 ( -6.871 -0.000 -0.097) 6.871 10.642 ( -1.678 0.000 -4.821) 5.105 10.879 ( 5.975 0.000 -0.741) 6.021 11.058 ( 2.409 0.000 7.500) 7.877 11.200 ( -1.457 -0.000 2.973) 3.310 11.350 ( 12.845 0.000 -8.246) 15.265 11.541 ( -1.282 0.000 -9.569) 9.655 11.695 ( 6.837 0.000 -6.123) 9.178 11.857 ( 1.653 0.000 -8.034) 8.203 11.862 ( 2.648 -0.000 -7.571) 8.021 12.904 ( -8.003 0.000 9.845) 12.688 13.014 ( -7.023 0.000 14.784) 16.367 13.394 ( 2.052 0.000 -5.403) 5.780 13.421 ( 4.995 -0.000 -0.920) 5.079 13.698 ( -2.260 0.000 4.598) 5.124 13.811 ( 10.474 0.000 0.957) 10.517 14.013 ( 0.517 0.000 3.173) 3.215 14.071 ( 1.009 -0.000 1.176) 1.550 14.943 ( -7.827 0.000 9.482) 12.295 15.077 ( -1.018 0.000 4.496) 4.610 15.593 ( -6.944 0.000 -6.734) 9.673 15.673 ( -5.036 0.000 -5.758) 7.650 16.050 ( -7.712 0.000 6.687) 10.208 16.108 ( -4.220 0.000 7.912) 8.968 16.512 ( -8.110 -0.000 -3.444) 8.811 16.868 ( 4.769 0.000 -8.481) 9.730 ======================= Grid point 191 (69/108) ======================= q-point: ( 0.18 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -7.624 -0.000 21.416) 22.732 1.838 ( 3.876 0.000 14.298) 14.814 2.210 ( 3.147 0.000 13.927) 14.278 2.323 ( 14.122 -0.000 11.843) 18.431 2.803 ( 8.432 0.000 3.736) 9.223 2.922 ( 10.271 0.000 0.648) 10.291 3.096 ( -1.868 0.000 3.861) 4.289 3.264 ( 4.493 0.000 -1.691) 4.801 3.399 ( 4.413 0.000 -7.320) 8.547 3.429 ( -2.092 0.000 -7.649) 7.930 3.514 ( 0.908 -0.000 -2.500) 2.659 3.595 ( 1.173 0.000 0.180) 1.186 3.880 ( -8.304 0.000 -2.791) 8.760 3.904 ( -5.028 -0.000 -2.738) 5.725 4.019 ( -0.054 0.000 -1.026) 1.028 4.026 ( -8.149 -0.000 -5.903) 10.063 4.455 ( -2.903 0.000 2.535) 3.854 4.633 ( -1.639 0.000 16.887) 16.967 4.635 ( 4.270 -0.000 -5.797) 7.200 4.893 ( -10.561 0.000 11.549) 15.650 4.963 ( -0.394 0.000 9.630) 9.639 5.079 ( 5.221 0.000 -1.656) 5.477 5.634 ( -9.698 -0.000 -3.425) 10.285 5.713 ( -16.318 0.000 0.911) 16.343 5.831 ( 0.326 0.000 -9.030) 9.036 5.853 ( -1.165 -0.000 -0.609) 1.315 6.187 ( -6.071 0.000 -0.762) 6.119 6.331 ( -0.239 0.000 5.887) 5.892 6.578 ( 5.608 0.000 -4.527) 7.207 6.654 ( 4.413 0.000 -2.418) 5.032 6.800 ( -1.022 0.000 -5.140) 5.241 6.996 ( -3.832 0.000 -19.618) 19.989 7.134 ( -7.612 0.000 -2.634) 8.055 7.501 ( -3.249 0.000 -4.367) 5.442 7.577 ( 6.174 -0.000 -10.555) 12.228 7.578 ( 12.660 0.000 -0.055) 12.660 7.843 ( 3.260 0.000 5.223) 6.156 7.896 ( 0.369 0.000 4.371) 4.387 8.416 ( 6.991 0.000 -4.427) 8.275 8.443 ( 5.277 -0.000 -3.028) 6.084 8.710 ( -4.060 0.000 0.549) 4.097 9.055 ( -6.870 0.000 4.974) 8.482 9.175 ( 0.231 0.000 -4.710) 4.715 9.205 ( 4.471 0.000 3.550) 5.709 10.019 ( 1.822 0.000 3.801) 4.215 10.176 ( 4.980 0.000 6.375) 8.090 10.499 ( -0.733 -0.000 2.443) 2.551 10.622 ( 0.133 0.000 -0.271) 0.302 11.058 ( -1.243 -0.000 4.610) 4.775 11.067 ( 12.509 0.000 -2.685) 12.794 11.163 ( -1.943 -0.000 4.570) 4.966 11.511 ( -2.094 0.000 -8.545) 8.798 11.585 ( 8.222 0.000 -9.998) 12.944 11.780 ( 2.315 0.000 -3.869) 4.509 11.934 ( 3.923 0.000 -6.808) 7.857 11.956 ( 8.848 0.000 -9.618) 13.069 12.804 ( -2.095 0.000 11.691) 11.878 12.872 ( -6.509 0.000 17.970) 19.112 13.412 ( 1.078 0.000 -1.366) 1.740 13.500 ( 2.503 -0.000 1.202) 2.776 13.649 ( -1.254 0.000 -3.011) 3.261 14.005 ( 2.888 0.000 -5.717) 6.405 14.036 ( 1.078 0.000 1.504) 1.851 14.100 ( 6.027 0.000 -2.199) 6.415 14.756 ( -10.858 0.000 14.576) 18.175 14.989 ( -8.771 0.000 5.019) 10.106 15.461 ( -5.782 -0.000 -6.225) 8.496 15.484 ( -13.440 0.000 -5.561) 14.545 15.941 ( -2.436 0.000 2.812) 3.721 16.005 ( -6.064 0.000 6.241) 8.702 16.388 ( -5.762 -0.000 -4.391) 7.244 16.879 ( -3.297 0.000 -10.764) 11.258 ======================= Grid point 193 (70/108) ======================= q-point: ( 0.27 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 6.270 -0.000 9.945) 11.757 1.911 ( 3.952 0.000 13.397) 13.968 2.321 ( 7.863 0.000 8.648) 11.688 2.552 ( 8.669 0.000 6.578) 10.882 2.925 ( 2.516 -0.000 0.792) 2.638 3.044 ( 2.898 0.000 1.169) 3.125 3.121 ( 6.512 0.000 3.840) 7.560 3.213 ( -11.629 0.000 -8.062) 14.150 3.386 ( 4.892 -0.000 -1.522) 5.124 3.446 ( 0.813 0.000 -6.132) 6.186 3.632 ( -3.625 0.000 0.200) 3.631 3.647 ( 1.740 -0.000 -9.721) 9.875 3.725 ( -4.053 0.000 -10.667) 11.410 3.826 ( 4.298 -0.000 2.962) 5.220 3.921 ( -0.746 0.000 -5.057) 5.112 4.089 ( 5.488 0.000 2.524) 6.041 4.366 ( -4.187 0.000 8.379) 9.367 4.613 ( -0.767 0.000 17.275) 17.292 4.652 ( -13.099 0.000 9.385) 16.114 4.756 ( 5.767 -0.000 -9.201) 10.859 4.952 ( -0.611 0.000 6.934) 6.961 5.084 ( -5.636 0.000 -0.299) 5.644 5.398 ( -12.224 -0.000 -3.990) 12.859 5.403 ( -15.609 0.000 2.163) 15.758 5.779 ( -6.019 -0.000 -2.551) 6.538 5.870 ( 1.306 0.000 -10.975) 11.053 6.113 ( -1.000 0.000 1.913) 2.158 6.343 ( 1.086 0.000 8.989) 9.055 6.668 ( 3.739 0.000 -0.786) 3.821 6.735 ( -0.843 0.000 -10.269) 10.304 6.754 ( -0.317 0.000 -5.529) 5.538 6.912 ( -4.880 0.000 -19.840) 20.432 7.013 ( -2.507 0.000 2.933) 3.858 7.428 ( -3.972 0.000 -3.548) 5.326 7.728 ( 8.422 0.000 -10.135) 13.178 7.793 ( 9.275 0.000 -3.783) 10.017 7.918 ( 2.116 0.000 5.990) 6.353 7.931 ( 5.735 -0.000 8.134) 9.952 8.466 ( -3.171 0.000 3.415) 4.660 8.541 ( 5.644 -0.000 -5.219) 7.687 8.714 ( 4.299 0.000 -2.918) 5.196 8.895 ( -9.301 0.000 9.214) 13.092 9.175 ( -0.116 0.000 -5.854) 5.855 9.282 ( 3.119 0.000 4.460) 5.443 10.074 ( 4.108 0.000 6.780) 7.928 10.269 ( 4.491 0.000 9.111) 10.158 10.539 ( 4.352 0.000 3.432) 5.543 10.662 ( 4.192 0.000 5.029) 6.547 11.023 ( -2.346 0.000 2.392) 3.350 11.127 ( -0.932 0.000 2.450) 2.621 11.331 ( 13.308 0.000 0.697) 13.326 11.462 ( -2.977 0.000 -6.466) 7.118 11.601 ( -4.309 0.000 -8.219) 9.280 11.823 ( 0.098 0.000 0.548) 0.556 11.983 ( 1.312 0.000 -1.010) 1.656 12.145 ( 10.012 0.000 -12.469) 15.991 12.798 ( -0.970 -0.000 16.006) 16.035 12.817 ( 2.741 0.000 8.110) 8.560 13.458 ( 3.697 0.000 1.885) 4.150 13.518 ( 0.872 -0.000 -0.064) 0.874 13.677 ( 3.229 0.000 -6.399) 7.168 13.961 ( -3.836 0.000 -4.216) 5.700 14.035 ( -1.412 0.000 -2.228) 2.637 14.165 ( -4.024 0.000 1.928) 4.462 14.599 ( -4.289 0.000 9.809) 10.706 14.753 ( -14.737 0.000 6.767) 16.216 15.236 ( -10.755 -0.000 -11.370) 15.650 15.384 ( -2.683 0.000 -6.172) 6.730 15.895 ( -4.978 0.000 2.839) 5.730 15.948 ( 2.664 0.000 -0.696) 2.754 16.271 ( -6.598 0.000 -5.431) 8.546 16.762 ( -8.416 0.000 -11.646) 14.369 ======================= Grid point 195 (71/108) ======================= q-point: ( 0.36 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 16.914 -0.000 -2.329) 17.073 2.011 ( 7.024 0.000 6.100) 9.303 2.479 ( 7.889 0.000 5.593) 9.671 2.627 ( -0.967 0.000 -2.006) 2.228 2.899 ( -12.945 -0.000 -2.641) 13.212 2.943 ( 1.164 0.000 -0.745) 1.382 3.185 ( 5.033 0.000 1.588) 5.278 3.270 ( 5.225 0.000 4.312) 6.775 3.349 ( -18.214 0.000 -10.057) 20.806 3.385 ( -5.961 0.000 0.552) 5.986 3.504 ( 6.833 -0.000 0.396) 6.845 3.641 ( 2.796 -0.000 -9.686) 10.082 3.776 ( 2.681 0.000 -7.893) 8.336 4.001 ( 8.103 0.000 -5.257) 9.659 4.054 ( 14.534 -0.000 2.489) 14.746 4.129 ( -4.415 0.000 9.693) 10.651 4.321 ( -0.289 0.000 11.625) 11.628 4.472 ( -3.631 -0.000 5.630) 6.699 4.610 ( 0.885 0.000 10.875) 10.911 4.794 ( -3.277 -0.000 -4.730) 5.754 4.861 ( -15.612 0.000 -0.946) 15.640 4.947 ( -0.841 0.000 -0.444) 0.951 5.156 ( -7.848 -0.000 1.941) 8.085 5.228 ( -5.705 0.000 -3.386) 6.634 5.650 ( -6.604 -0.000 -2.770) 7.162 5.835 ( -5.471 0.000 -10.353) 11.709 6.146 ( 3.891 0.000 2.096) 4.419 6.354 ( -0.306 0.000 9.823) 9.828 6.640 ( -3.761 0.000 -1.378) 4.005 6.713 ( 0.229 0.000 -0.109) 0.253 6.797 ( 1.434 0.000 -12.691) 12.772 6.827 ( -3.093 0.000 -16.497) 16.784 7.048 ( 4.760 0.000 1.582) 5.017 7.349 ( -4.382 0.000 -3.560) 5.646 7.873 ( 6.445 0.000 -9.920) 11.830 7.930 ( 5.029 0.000 -6.774) 8.436 7.977 ( 3.865 0.000 6.796) 7.818 8.050 ( 6.188 0.000 9.220) 11.104 8.381 ( -4.391 0.000 7.711) 8.874 8.608 ( -0.790 -0.000 0.124) 0.799 8.736 ( -4.757 0.000 5.792) 7.496 8.797 ( 2.884 0.000 -4.226) 5.117 9.182 ( 1.234 0.000 -5.205) 5.349 9.314 ( 0.115 0.000 2.970) 2.972 10.175 ( 6.154 0.000 11.321) 12.886 10.338 ( 2.508 0.000 12.243) 12.497 10.643 ( 5.978 0.000 4.497) 7.481 10.771 ( 6.171 0.000 9.986) 11.739 10.979 ( -1.460 0.000 0.194) 1.473 11.127 ( 0.857 0.000 2.496) 2.639 11.391 ( -4.043 0.000 -5.555) 6.871 11.492 ( -6.204 0.000 -8.321) 10.380 11.536 ( 6.647 0.000 3.630) 7.573 11.761 ( -5.530 -0.000 6.964) 8.893 12.028 ( 5.009 0.000 3.870) 6.330 12.299 ( 5.071 0.000 -12.802) 13.770 12.814 ( 1.894 -0.000 13.494) 13.626 12.869 ( 1.880 0.000 5.222) 5.550 13.535 ( 3.467 0.000 0.703) 3.538 13.559 ( 2.663 0.000 -6.412) 6.943 13.749 ( 4.362 0.000 -3.382) 5.520 13.914 ( -0.414 -0.000 -0.627) 0.752 13.994 ( -1.846 0.000 -5.264) 5.578 14.012 ( -8.184 -0.000 7.179) 10.887 14.470 ( -14.135 0.000 8.850) 16.677 14.498 ( -8.886 0.000 2.688) 9.283 15.129 ( -0.147 -0.000 -17.877) 17.878 15.336 ( -2.842 0.000 -8.591) 9.049 15.834 ( -0.921 0.000 -0.595) 1.097 16.025 ( 4.168 0.000 -3.181) 5.244 16.144 ( -5.560 0.000 -6.098) 8.253 16.578 ( -10.405 0.000 -11.306) 15.365 ======================= Grid point 197 (72/108) ======================= q-point: ( 0.45 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 10.702 0.000 -3.706) 11.325 2.307 ( 8.159 -0.000 -9.468) 12.499 2.544 ( -0.341 -0.000 -11.658) 11.663 2.597 ( 3.759 0.000 3.416) 5.079 2.736 ( -3.376 0.000 8.320) 8.979 2.883 ( -14.897 0.000 -7.723) 16.780 3.093 ( 1.060 0.000 -1.842) 2.126 3.211 ( -6.975 0.000 -1.419) 7.118 3.298 ( 2.198 -0.000 3.858) 4.440 3.324 ( 0.443 0.000 3.823) 3.849 3.653 ( 5.813 0.000 1.450) 5.991 3.698 ( 1.140 -0.000 -7.020) 7.112 3.841 ( 5.056 0.000 -4.926) 7.059 3.966 ( -8.595 -0.000 8.264) 11.924 4.186 ( 11.270 0.000 -3.999) 11.958 4.334 ( 11.535 -0.000 2.061) 11.718 4.359 ( 4.121 0.000 13.946) 14.542 4.422 ( -3.178 -0.000 5.328) 6.204 4.499 ( -12.875 0.000 4.658) 13.691 4.627 ( -12.743 -0.000 -1.933) 12.889 4.747 ( 6.059 -0.000 -1.158) 6.169 4.871 ( -5.784 0.000 0.058) 5.785 5.135 ( 1.791 0.000 -3.762) 4.166 5.160 ( -1.723 -0.000 -2.883) 3.359 5.578 ( 0.678 -0.000 -3.588) 3.652 5.684 ( -8.714 0.000 -7.458) 11.470 6.238 ( 5.177 0.000 3.522) 6.261 6.322 ( -3.186 0.000 7.273) 7.940 6.619 ( 1.193 0.000 -1.677) 2.058 6.668 ( -3.484 0.000 -4.221) 5.473 6.811 ( 0.371 0.000 -8.589) 8.597 6.813 ( 0.351 -0.000 -9.375) 9.381 7.153 ( 5.715 0.000 -2.007) 6.057 7.258 ( -5.154 -0.000 -3.440) 6.197 7.965 ( 3.063 0.000 -9.370) 9.858 7.986 ( 0.901 0.000 -8.310) 8.359 8.059 ( 4.511 0.000 6.045) 7.543 8.121 ( -0.400 0.000 5.964) 5.977 8.355 ( 3.344 -0.000 13.266) 13.681 8.484 ( -8.501 -0.000 12.893) 15.443 8.753 ( 3.156 -0.000 -5.289) 6.159 8.805 ( -1.723 0.000 -5.478) 5.742 9.229 ( 3.326 0.000 -2.430) 4.119 9.289 ( -2.529 0.000 0.377) 2.557 10.289 ( 5.133 0.000 14.524) 15.405 10.353 ( -1.281 0.000 14.693) 14.748 10.750 ( 4.862 0.000 5.508) 7.347 10.819 ( -1.806 -0.000 8.015) 8.216 11.026 ( 6.262 0.000 3.734) 7.291 11.128 ( -2.441 0.000 4.910) 5.483 11.333 ( -0.494 0.000 -7.328) 7.344 11.384 ( -4.811 0.000 -8.994) 10.200 11.600 ( 1.720 0.000 6.326) 6.555 11.655 ( -4.603 -0.000 8.270) 9.465 12.176 ( 8.990 0.000 2.313) 9.283 12.311 ( -3.886 0.000 -5.085) 6.400 12.854 ( 1.978 -0.000 9.664) 9.865 12.880 ( -0.578 0.000 5.984) 6.012 13.572 ( 0.826 -0.000 -4.321) 4.399 13.583 ( -0.147 0.000 -7.320) 7.322 13.818 ( 1.801 0.000 -2.504) 3.084 13.860 ( -3.806 0.000 1.661) 4.153 14.021 ( 7.543 -0.000 5.485) 9.327 14.040 ( 7.818 0.000 -4.565) 9.053 14.226 ( -11.031 0.000 9.018) 14.248 14.275 ( -12.823 0.000 -1.268) 12.885 15.183 ( 4.393 -0.000 -16.819) 17.383 15.268 ( -4.189 0.000 -12.841) 13.507 15.865 ( 4.002 0.000 -3.021) 5.014 15.972 ( -6.523 0.000 -4.333) 7.831 16.198 ( 8.231 0.000 -7.314) 11.011 16.378 ( -10.214 0.000 -9.726) 14.104 ======================= Grid point 220 (73/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.000 0.000 19.127) 19.127 2.202 ( 0.000 0.000 12.976) 12.976 2.378 ( 0.000 0.000 -7.621) 7.621 2.525 ( 0.000 0.000 2.557) 2.557 2.741 ( 0.000 0.000 15.765) 15.765 2.834 ( 0.000 0.000 8.504) 8.504 3.001 ( 0.000 0.000 -2.267) 2.267 3.183 ( 0.000 0.000 0.502) 0.502 3.252 ( 0.000 0.000 2.590) 2.590 3.279 ( 0.000 0.000 -6.318) 6.318 3.581 ( 0.000 0.000 12.923) 12.923 3.670 ( 0.000 0.000 -0.951) 0.951 3.793 ( 0.000 0.000 -10.250) 10.250 3.965 ( 0.000 0.000 1.195) 1.195 4.182 ( 0.000 0.000 -14.549) 14.549 4.314 ( 0.000 0.000 -11.220) 11.220 4.538 ( 0.000 0.000 3.672) 3.672 4.572 ( 0.000 0.000 3.378) 3.378 4.743 ( 0.000 0.000 7.390) 7.390 4.797 ( 0.000 0.000 4.273) 4.273 5.225 ( 0.000 0.000 22.276) 22.276 5.465 ( 0.000 0.000 0.986) 0.986 5.483 ( 0.000 0.000 0.650) 0.650 5.865 ( 0.000 0.000 -2.304) 2.304 5.936 ( 0.000 0.000 1.221) 1.221 6.206 ( 0.000 0.000 2.352) 2.352 6.310 ( 0.000 0.000 1.039) 1.039 6.337 ( 0.000 0.000 -13.275) 13.275 6.415 ( 0.000 0.000 -1.720) 1.720 6.594 ( 0.000 0.000 3.005) 3.005 6.794 ( 0.000 0.000 -7.798) 7.798 6.848 ( 0.000 0.000 -21.828) 21.828 7.092 ( 0.000 0.000 -1.247) 1.247 7.154 ( 0.000 0.000 11.685) 11.685 7.169 ( 0.000 0.000 -3.269) 3.269 7.503 ( 0.000 0.000 -8.271) 8.271 7.797 ( 0.000 0.000 -0.983) 0.983 7.956 ( 0.000 0.000 -5.901) 5.901 8.130 ( 0.000 0.000 5.512) 5.512 8.307 ( 0.000 0.000 -3.012) 3.012 8.779 ( 0.000 0.000 5.951) 5.951 9.057 ( 0.000 0.000 -5.591) 5.591 9.126 ( 0.000 0.000 2.799) 2.799 9.254 ( 0.000 0.000 -3.733) 3.733 9.989 ( 0.000 0.000 6.304) 6.304 10.229 ( 0.000 0.000 6.641) 6.641 10.341 ( 0.000 0.000 -9.455) 9.455 10.570 ( 0.000 0.000 -8.149) 8.149 11.033 ( 0.000 0.000 -1.636) 1.636 11.067 ( 0.000 0.000 10.478) 10.478 11.205 ( 0.000 0.000 -8.249) 8.249 11.242 ( 0.000 0.000 4.499) 4.499 11.457 ( 0.000 0.000 8.367) 8.367 11.498 ( 0.000 0.000 -8.732) 8.732 11.506 ( 0.000 0.000 -7.569) 7.569 11.841 ( 0.000 0.000 -9.243) 9.243 13.141 ( 0.000 0.000 6.080) 6.080 13.185 ( 0.000 0.000 1.399) 1.399 13.221 ( 0.000 0.000 -3.093) 3.093 13.383 ( 0.000 0.000 -5.927) 5.927 13.764 ( 0.000 0.000 12.226) 12.226 13.999 ( 0.000 0.000 5.141) 5.141 14.035 ( 0.000 0.000 2.653) 2.653 14.069 ( 0.000 0.000 -2.751) 2.751 15.184 ( 0.000 0.000 4.483) 4.483 15.186 ( 0.000 0.000 11.544) 11.544 15.421 ( 0.000 0.000 -6.707) 6.707 15.640 ( 0.000 0.000 -9.933) 9.933 16.234 ( 0.000 0.000 6.567) 6.567 16.377 ( 0.000 0.000 9.317) 9.317 16.500 ( 0.000 0.000 -6.086) 6.086 16.703 ( 0.000 0.000 -6.720) 6.720 ======================= Grid point 221 (74/108) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 5.382 0.000 16.693) 17.539 2.154 ( -2.942 0.000 10.400) 10.808 2.494 ( 7.666 0.000 -0.815) 7.709 2.593 ( 6.090 0.000 4.692) 7.687 2.656 ( -6.494 0.000 15.379) 16.694 2.861 ( 2.906 0.000 7.097) 7.669 3.011 ( 1.236 0.000 -4.388) 4.559 3.158 ( -2.549 0.000 3.456) 4.294 3.216 ( -0.147 0.000 1.220) 1.229 3.292 ( 1.593 0.000 -8.147) 8.301 3.644 ( 0.472 0.000 -2.369) 2.416 3.675 ( -11.572 0.000 -11.493) 16.309 3.713 ( 6.371 0.000 9.186) 11.179 3.930 ( -3.993 0.000 0.711) 4.055 4.114 ( -4.824 0.000 -8.054) 9.388 4.243 ( -6.974 0.000 -11.040) 13.058 4.517 ( -3.236 0.000 2.283) 3.960 4.534 ( 0.195 0.000 -0.415) 0.459 4.814 ( 4.813 0.000 11.295) 12.278 4.913 ( 9.370 0.000 4.795) 10.526 5.230 ( 0.500 0.000 22.236) 22.242 5.428 ( -5.590 0.000 1.557) 5.802 5.476 ( -0.053 0.000 -2.263) 2.263 5.852 ( -2.098 0.000 -1.429) 2.538 5.866 ( -5.578 0.000 2.908) 6.290 6.089 ( -8.605 0.000 -2.729) 9.028 6.132 ( -13.189 0.000 -0.426) 13.196 6.351 ( -0.544 0.000 -12.784) 12.796 6.402 ( -0.974 0.000 -0.479) 1.085 6.668 ( -8.694 0.000 -12.684) 15.378 6.764 ( 10.770 0.000 0.385) 10.777 6.925 ( 4.201 0.000 -9.317) 10.220 7.113 ( 2.947 0.000 1.030) 3.121 7.221 ( 6.094 0.000 2.601) 6.626 7.226 ( 5.316 0.000 -0.394) 5.331 7.479 ( -2.450 0.000 -7.384) 7.780 7.797 ( 0.576 0.000 -0.510) 0.770 7.967 ( 1.759 0.000 -6.401) 6.638 8.171 ( 3.791 0.000 6.617) 7.626 8.389 ( 7.630 0.000 -3.779) 8.515 8.741 ( -3.342 0.000 5.642) 6.558 9.028 ( -2.503 0.000 -6.706) 7.158 9.187 ( 5.385 0.000 3.022) 6.175 9.258 ( -0.376 0.000 -1.017) 1.084 10.011 ( 2.411 0.000 6.594) 7.021 10.264 ( 3.487 0.000 7.260) 8.054 10.340 ( 0.522 0.000 -6.809) 6.829 10.610 ( 3.551 0.000 -7.601) 8.390 10.980 ( 0.365 0.000 3.178) 3.199 11.097 ( -4.471 0.000 -0.057) 4.472 11.215 ( 8.727 0.000 1.029) 8.787 11.332 ( 2.607 0.000 -3.966) 4.746 11.405 ( -3.640 0.000 6.628) 7.562 11.581 ( 8.585 0.000 -7.482) 11.388 11.596 ( 8.166 0.000 -6.021) 10.146 11.801 ( -4.085 0.000 -9.024) 9.905 13.070 ( -3.516 0.000 7.185) 7.999 13.245 ( 2.623 0.000 -2.070) 3.341 13.245 ( 1.535 0.000 6.034) 6.226 13.412 ( 2.842 0.000 -6.282) 6.895 13.787 ( 3.656 0.000 6.119) 7.128 13.933 ( -6.072 0.000 6.211) 8.686 14.039 ( -0.170 0.000 1.363) 1.374 14.057 ( -1.802 0.000 -4.286) 4.650 15.140 ( -4.493 0.000 10.849) 11.742 15.173 ( -1.693 0.000 4.818) 5.107 15.394 ( -4.297 0.000 -5.835) 7.246 15.544 ( -8.423 0.000 -8.247) 11.788 16.170 ( -5.756 0.000 6.818) 8.923 16.324 ( -5.299 0.000 9.495) 10.873 16.451 ( -4.906 0.000 -6.469) 8.119 16.691 ( -1.731 0.000 -8.591) 8.764 ======================= Grid point 222 (75/108) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 9.001 0.000 11.022) 14.231 2.083 ( -5.100 0.000 13.856) 14.765 2.485 ( -2.917 0.000 13.126) 13.446 2.676 ( 0.000 0.000 9.816) 9.816 2.704 ( 7.244 0.000 -0.652) 7.273 2.955 ( 7.021 0.000 5.009) 8.624 3.062 ( 3.413 0.000 -9.810) 10.387 3.126 ( 0.973 0.000 1.725) 1.980 3.286 ( 6.825 0.000 -1.222) 6.934 3.309 ( -3.460 0.000 -5.120) 6.179 3.431 ( -8.409 0.000 -9.553) 12.727 3.623 ( -2.214 0.000 -6.339) 6.714 3.801 ( 1.836 0.000 4.567) 4.922 3.817 ( -7.057 0.000 0.280) 7.063 4.055 ( -1.086 0.000 -4.290) 4.425 4.076 ( -9.513 0.000 -9.241) 13.262 4.489 ( 0.523 0.000 2.538) 2.591 4.545 ( 0.853 0.000 -2.006) 2.180 4.887 ( 2.672 0.000 15.196) 15.429 5.061 ( 2.892 0.000 7.520) 8.057 5.237 ( -0.197 0.000 22.673) 22.673 5.289 ( -6.889 0.000 0.845) 6.941 5.384 ( -10.404 0.000 -2.352) 10.666 5.742 ( -9.491 0.000 0.658) 9.514 5.811 ( -0.751 0.000 -0.478) 0.890 5.873 ( -12.537 0.000 -3.361) 12.980 5.976 ( -2.354 0.000 -7.711) 8.062 6.313 ( -2.810 0.000 -13.326) 13.618 6.377 ( -1.204 0.000 0.045) 1.205 6.512 ( -6.798 0.000 -15.147) 16.603 6.894 ( 2.682 0.000 -0.614) 2.752 6.981 ( 1.153 0.000 -2.561) 2.809 7.230 ( 8.512 0.000 3.434) 9.178 7.350 ( 7.349 0.000 1.845) 7.577 7.353 ( 7.055 0.000 -4.931) 8.607 7.427 ( -2.330 0.000 -4.056) 4.678 7.835 ( 3.381 0.000 0.513) 3.420 8.037 ( 5.580 0.000 -7.370) 9.244 8.259 ( 5.182 0.000 8.850) 10.256 8.561 ( 9.562 0.000 -5.308) 10.937 8.671 ( -3.802 0.000 5.804) 6.939 8.973 ( -3.236 0.000 -7.674) 8.329 9.214 ( -4.427 0.000 4.098) 6.033 9.290 ( 4.560 0.000 1.590) 4.829 10.089 ( 5.987 0.000 8.272) 10.211 10.353 ( 5.531 0.000 8.654) 10.271 10.388 ( 4.864 0.000 -2.600) 5.515 10.684 ( 4.015 0.000 -4.528) 6.052 11.045 ( 5.188 0.000 -0.886) 5.263 11.069 ( 1.664 0.000 3.592) 3.959 11.279 ( -3.283 0.000 5.198) 6.148 11.344 ( -0.714 0.000 -6.520) 6.559 11.434 ( 8.850 0.000 -4.284) 9.832 11.693 ( -6.870 0.000 -8.040) 10.576 11.775 ( 10.355 0.000 -5.458) 11.705 11.795 ( 11.578 0.000 -5.720) 12.914 13.026 ( -1.113 0.000 11.137) 11.192 13.215 ( -3.727 0.000 11.897) 12.467 13.326 ( 5.998 0.000 -0.604) 6.029 13.479 ( 3.688 0.000 -6.889) 7.814 13.792 ( -8.074 0.000 6.638) 10.452 13.924 ( 9.802 0.000 -4.335) 10.718 14.002 ( -3.446 0.000 -5.656) 6.623 14.007 ( -3.419 0.000 -1.980) 3.951 15.009 ( -9.260 0.000 7.144) 11.696 15.114 ( -4.654 0.000 7.305) 8.662 15.157 ( -18.969 0.000 -0.945) 18.993 15.439 ( -3.279 0.000 -7.345) 8.044 16.051 ( -6.058 0.000 5.039) 7.880 16.191 ( -8.068 0.000 9.598) 12.538 16.328 ( -7.505 0.000 -7.294) 10.465 16.621 ( -5.674 0.000 -11.252) 12.602 ======================= Grid point 223 (76/108) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -1.241 0.000 11.577) 11.643 2.178 ( 8.375 0.000 3.682) 9.148 2.488 ( 2.491 0.000 7.116) 7.539 2.586 ( -7.354 0.000 10.478) 12.801 2.808 ( 2.981 0.000 2.967) 4.206 2.969 ( -13.529 0.000 -12.296) 18.281 3.124 ( 10.018 0.000 3.710) 10.683 3.167 ( 4.018 0.000 1.877) 4.435 3.328 ( 9.844 0.000 -6.447) 11.768 3.415 ( 0.884 0.000 -1.833) 2.035 3.429 ( 5.595 0.000 -4.954) 7.473 3.541 ( -5.820 0.000 -11.445) 12.840 3.678 ( -7.282 0.000 1.333) 7.403 3.780 ( -4.203 0.000 -1.619) 4.504 3.962 ( 0.807 0.000 -0.601) 1.006 4.087 ( 4.949 0.000 -3.907) 6.306 4.528 ( 3.117 0.000 2.666) 4.102 4.568 ( 1.621 0.000 -2.153) 2.695 4.907 ( -15.576 0.000 8.875) 17.927 4.917 ( 0.431 0.000 15.112) 15.118 5.122 ( -15.281 0.000 -0.048) 15.281 5.203 ( -4.487 0.000 23.473) 23.898 5.257 ( -0.140 0.000 0.414) 0.437 5.533 ( -11.714 0.000 -1.677) 11.833 5.610 ( -11.194 0.000 -5.093) 12.298 5.827 ( -2.278 0.000 -3.955) 4.564 5.985 ( 3.318 0.000 -5.726) 6.618 6.270 ( -1.005 0.000 -14.157) 14.192 6.392 ( 3.678 0.000 -1.037) 3.821 6.417 ( -3.457 0.000 -19.016) 19.328 6.906 ( -0.671 0.000 1.112) 1.299 6.960 ( -3.338 0.000 1.929) 3.855 7.368 ( 3.760 0.000 1.754) 4.149 7.419 ( 2.788 0.000 1.268) 3.063 7.477 ( 5.801 0.000 -6.611) 8.795 7.491 ( 6.825 0.000 0.201) 6.828 7.921 ( 5.487 0.000 2.283) 5.943 8.172 ( 8.263 0.000 -8.103) 11.573 8.366 ( 6.067 0.000 11.083) 12.635 8.586 ( -4.767 0.000 6.644) 8.177 8.747 ( 9.397 0.000 -6.827) 11.615 8.901 ( -4.387 0.000 -7.942) 9.073 9.097 ( -7.406 0.000 8.727) 11.446 9.340 ( 0.426 0.000 -1.830) 1.879 10.241 ( 9.715 0.000 11.709) 15.214 10.466 ( 6.013 0.000 10.277) 11.907 10.518 ( 8.158 0.000 1.473) 8.290 10.763 ( 4.463 0.000 -1.850) 4.831 11.084 ( -2.990 0.000 0.323) 3.007 11.148 ( 5.695 0.000 4.131) 7.035 11.272 ( 4.544 0.000 0.656) 4.592 11.316 ( -1.917 0.000 -5.917) 6.220 11.558 ( -6.571 0.000 -5.390) 8.499 11.633 ( 11.022 0.000 -9.974) 14.865 11.936 ( 5.606 0.000 -1.926) 5.928 11.999 ( 9.236 0.000 -4.430) 10.244 13.027 ( 1.290 0.000 14.630) 14.687 13.148 ( -2.601 0.000 11.510) 11.800 13.466 ( 7.630 0.000 -2.060) 7.903 13.532 ( 1.255 0.000 -6.757) 6.873 13.659 ( -4.202 0.000 3.181) 5.270 13.902 ( -7.226 0.000 -5.796) 9.264 13.954 ( -0.701 0.000 -2.881) 2.965 14.114 ( 8.032 0.000 -6.140) 10.110 14.776 ( -18.254 0.000 1.387) 18.307 14.785 ( -14.028 0.000 2.358) 14.225 14.988 ( -8.613 0.000 10.104) 13.277 15.356 ( -6.094 0.000 -7.944) 10.012 15.961 ( -2.905 0.000 1.609) 3.321 16.043 ( -6.795 0.000 8.460) 10.850 16.180 ( -7.534 0.000 -7.527) 10.650 16.482 ( -8.513 0.000 -12.300) 14.959 ======================= Grid point 224 (77/108) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 9.136 0.000 1.810) 9.314 2.264 ( -0.252 0.000 -3.209) 3.219 2.457 ( -6.580 0.000 7.831) 10.228 2.558 ( 4.433 0.000 5.337) 6.939 2.781 ( -2.047 0.000 -6.330) 6.653 2.810 ( -2.717 0.000 3.128) 4.143 3.194 ( -12.626 0.000 -6.201) 14.067 3.240 ( 0.941 0.000 -3.685) 3.803 3.352 ( 3.089 0.000 -3.213) 4.457 3.399 ( -1.973 0.000 -1.484) 2.469 3.489 ( 1.674 0.000 -0.197) 1.686 3.622 ( 7.360 0.000 2.569) 7.796 3.625 ( 3.067 0.000 -5.344) 6.162 3.736 ( 6.661 0.000 -2.816) 7.232 4.087 ( 10.119 0.000 2.675) 10.467 4.238 ( 9.620 0.000 -1.296) 9.707 4.572 ( -16.654 0.000 5.249) 17.462 4.582 ( 1.199 0.000 1.264) 1.742 4.608 ( 0.954 0.000 -2.397) 2.580 4.778 ( -17.019 0.000 -0.569) 17.028 4.944 ( -0.990 0.000 14.709) 14.742 5.065 ( -8.458 0.000 17.553) 19.485 5.203 ( -5.132 0.000 1.974) 5.498 5.308 ( -11.225 0.000 -3.074) 11.638 5.471 ( -3.276 0.000 1.727) 3.703 5.723 ( -7.766 0.000 -3.963) 8.718 6.091 ( 6.567 0.000 -10.217) 12.145 6.289 ( 2.288 0.000 -17.865) 18.011 6.372 ( -0.476 0.000 -12.698) 12.707 6.515 ( 8.235 0.000 -1.739) 8.416 6.855 ( -7.498 0.000 5.353) 9.213 6.876 ( -2.593 0.000 2.057) 3.310 7.407 ( 1.986 0.000 2.127) 2.910 7.482 ( 1.917 0.000 2.298) 2.993 7.571 ( 3.943 0.000 -7.058) 8.085 7.595 ( 3.899 0.000 -2.807) 4.804 8.043 ( 7.252 0.000 4.805) 8.699 8.341 ( 9.072 0.000 -8.420) 12.377 8.480 ( -6.359 0.000 7.240) 9.636 8.491 ( 6.902 0.000 12.904) 14.634 8.803 ( -5.871 0.000 -8.105) 10.008 8.922 ( 8.905 0.000 -7.613) 11.716 8.946 ( -8.143 0.000 11.733) 14.282 9.309 ( -3.372 0.000 -4.987) 6.020 10.436 ( 9.804 0.000 14.958) 17.884 10.572 ( 4.808 0.000 12.284) 13.192 10.668 ( 6.760 0.000 4.050) 7.880 10.867 ( 5.969 0.000 0.502) 5.990 11.002 ( -3.346 0.000 1.543) 3.685 11.207 ( -1.056 0.000 -7.836) 7.906 11.302 ( -0.184 0.000 0.210) 0.279 11.349 ( 0.901 0.000 -2.101) 2.287 11.496 ( 2.547 0.000 3.500) 4.329 11.845 ( 11.332 0.000 -11.122) 15.878 11.966 ( -2.705 0.000 3.442) 4.378 12.142 ( 5.566 0.000 -5.685) 7.956 13.074 ( 3.119 0.000 15.163) 15.481 13.120 ( -0.502 0.000 10.172) 10.185 13.505 ( -1.502 0.000 -4.942) 5.166 13.543 ( -0.315 0.000 -8.102) 8.108 13.727 ( 9.312 0.000 -3.609) 9.987 13.755 ( -6.966 0.000 -6.382) 9.448 14.005 ( 6.525 0.000 4.139) 7.727 14.103 ( -10.757 0.000 6.612) 12.627 14.491 ( -15.939 0.000 -0.696) 15.955 14.612 ( 3.289 0.000 -10.642) 11.138 14.786 ( -12.415 0.000 10.856) 16.492 15.200 ( -9.958 0.000 -9.944) 14.073 15.946 ( -3.212 0.000 5.526) 6.391 15.949 ( 1.666 0.000 -2.113) 2.691 16.050 ( -5.914 0.000 -6.119) 8.510 16.310 ( -9.126 0.000 -11.416) 14.616 ======================= Grid point 225 (78/108) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.487 0.000 -2.084) 2.140 2.315 ( -6.668 0.000 1.160) 6.768 2.331 ( 16.120 0.000 -6.798) 17.495 2.597 ( -6.260 0.000 -2.060) 6.591 2.745 ( 0.950 0.000 2.129) 2.331 2.894 ( 10.760 0.000 -4.374) 11.615 2.895 ( -13.299 0.000 -1.103) 13.345 3.117 ( -11.262 0.000 -6.531) 13.019 3.422 ( 3.160 0.000 1.996) 3.738 3.459 ( 5.805 0.000 0.093) 5.806 3.472 ( -1.796 0.000 2.843) 3.363 3.564 ( -5.108 0.000 -1.132) 5.232 3.868 ( 15.464 0.000 3.500) 15.855 4.034 ( 18.964 0.000 -5.819) 19.836 4.185 ( -16.765 0.000 8.002) 18.577 4.294 ( 8.603 0.000 2.323) 8.911 4.426 ( -15.870 0.000 -3.152) 16.180 4.484 ( 9.202 0.000 -5.160) 10.550 4.523 ( -8.720 0.000 2.415) 9.049 4.614 ( -2.717 0.000 -3.947) 4.792 4.935 ( 0.371 0.000 16.048) 16.052 4.962 ( -2.309 0.000 13.787) 13.979 5.105 ( -3.134 0.000 1.581) 3.510 5.136 ( -6.008 0.000 -2.078) 6.358 5.468 ( 2.747 0.000 2.882) 3.981 5.569 ( -7.398 0.000 -1.200) 7.495 6.198 ( 4.575 0.000 -21.360) 21.844 6.272 ( -3.164 0.000 -25.791) 25.984 6.479 ( 9.960 0.000 5.375) 11.318 6.674 ( 7.864 0.000 -0.358) 7.872 6.681 ( -10.384 0.000 7.132) 12.597 6.801 ( -5.287 0.000 1.439) 5.480 7.450 ( 2.337 0.000 2.282) 3.266 7.486 ( -1.155 0.000 2.045) 2.349 7.626 ( 1.833 0.000 -6.687) 6.934 7.638 ( 0.686 0.000 -5.375) 5.419 8.192 ( 8.128 0.000 6.639) 10.495 8.345 ( -7.689 0.000 7.310) 10.609 8.510 ( 8.387 0.000 -7.888) 11.514 8.615 ( 3.335 0.000 8.850) 9.458 8.691 ( -3.128 0.000 -3.412) 4.628 8.792 ( -7.814 0.000 12.753) 14.956 9.084 ( 7.880 0.000 -7.689) 11.010 9.218 ( -6.043 0.000 -6.913) 9.182 10.586 ( 5.340 0.000 15.836) 16.712 10.631 ( 0.676 0.000 14.840) 14.855 10.774 ( 4.767 0.000 3.531) 5.932 10.862 ( -4.409 0.000 3.181) 5.437 11.094 ( 10.159 0.000 0.954) 10.203 11.192 ( 1.039 0.000 -8.123) 8.189 11.249 ( -4.071 0.000 -4.143) 5.809 11.277 ( -7.758 0.000 0.539) 7.777 11.647 ( 10.616 0.000 9.065) 13.960 11.845 ( -9.217 0.000 7.696) 12.008 12.060 ( 10.224 0.000 -11.934) 15.714 12.185 ( -1.977 0.000 -10.150) 10.341 13.112 ( 0.756 0.000 12.665) 12.688 13.121 ( 0.108 0.000 11.959) 11.959 13.499 ( 0.822 0.000 -7.406) 7.451 13.523 ( -1.379 0.000 -9.104) 9.208 13.700 ( 2.616 0.000 -0.345) 2.638 13.852 ( -12.237 0.000 7.241) 14.218 13.918 ( 10.705 0.000 -6.130) 12.336 14.121 ( -5.213 0.000 -1.777) 5.507 14.282 ( 4.533 0.000 7.057) 8.388 14.524 ( -14.601 0.000 10.486) 17.977 14.773 ( 10.921 0.000 -14.054) 17.799 14.991 ( -11.523 0.000 -12.524) 17.019 15.920 ( 0.468 0.000 1.372) 1.449 15.959 ( -3.505 0.000 -2.887) 4.540 16.018 ( 5.314 0.000 -5.712) 7.802 16.145 ( -7.872 0.000 -9.002) 11.958 ======================= Grid point 231 (79/108) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 9.642 17.331) 19.832 2.205 ( 0.000 -0.384 12.614) 12.620 2.434 ( 0.000 4.256 -5.860) 7.243 2.526 ( 0.000 -0.187 2.347) 2.355 2.709 ( 0.000 -2.368 15.484) 15.664 2.762 ( 0.000 -5.123 11.235) 12.348 3.016 ( 0.000 1.333 -3.699) 3.932 3.146 ( 0.000 -4.485 -9.202) 10.236 3.237 ( 0.000 3.433 6.512) 7.361 3.416 ( 0.000 8.990 -0.312) 8.996 3.505 ( 0.000 -6.396 10.458) 12.259 3.740 ( 0.000 5.718 -3.328) 6.616 3.875 ( 0.000 7.360 -8.906) 11.553 3.887 ( 0.000 -8.216 1.904) 8.433 4.044 ( 0.000 -8.730 -12.218) 15.016 4.257 ( 0.000 -6.185 -10.132) 11.871 4.555 ( 0.000 2.300 4.419) 4.982 4.659 ( 0.000 6.679 1.270) 6.799 4.683 ( 0.000 -2.757 6.044) 6.643 4.879 ( 0.000 2.042 1.157) 2.347 5.248 ( 0.000 1.874 21.814) 21.895 5.330 ( 0.000 -4.602 9.540) 10.592 5.640 ( 0.000 7.188 0.344) 7.196 5.864 ( 0.000 -1.447 0.706) 1.610 5.945 ( 0.000 2.059 -1.161) 2.364 6.141 ( 0.000 -2.577 -2.090) 3.318 6.266 ( 0.000 -7.121 -3.578) 7.970 6.293 ( 0.000 -4.094 -11.678) 12.375 6.402 ( 0.000 1.641 1.293) 2.089 6.560 ( 0.000 -3.315 2.011) 3.878 6.784 ( 0.000 -0.206 -10.577) 10.579 6.833 ( 0.000 -1.315 -20.389) 20.432 7.082 ( 0.000 1.351 2.769) 3.081 7.149 ( 0.000 -0.514 10.126) 10.139 7.300 ( 0.000 8.152 -5.869) 10.045 7.509 ( 0.000 -0.533 -8.641) 8.657 7.816 ( 0.000 2.790 2.107) 3.496 8.031 ( 0.000 5.820 -6.100) 8.431 8.062 ( 0.000 -5.702 5.940) 8.234 8.268 ( 0.000 -3.591 -3.873) 5.281 8.845 ( 0.000 5.515 4.681) 7.234 9.075 ( 0.000 1.672 -4.843) 5.124 9.094 ( 0.000 -3.215 2.270) 3.936 9.201 ( 0.000 -4.077 -3.076) 5.107 10.035 ( 0.000 3.779 6.351) 7.390 10.199 ( 0.000 -2.691 6.801) 7.314 10.389 ( 0.000 4.131 -9.646) 10.494 10.558 ( 0.000 -1.558 -9.155) 9.287 11.019 ( 0.000 -0.302 1.904) 1.928 11.074 ( 0.000 -0.103 9.803) 9.804 11.233 ( 0.000 0.117 4.824) 4.826 11.253 ( 0.000 3.078 -7.174) 7.806 11.430 ( 0.000 -1.990 5.925) 6.250 11.466 ( 0.000 -1.736 -8.077) 8.261 11.567 ( 0.000 4.316 -8.699) 9.711 11.793 ( 0.000 -4.260 -9.143) 10.087 13.146 ( 0.000 0.445 5.178) 5.197 13.175 ( 0.000 -0.735 1.744) 1.892 13.237 ( 0.000 1.455 -3.026) 3.357 13.346 ( 0.000 -2.921 -4.717) 5.548 13.802 ( 0.000 3.162 10.505) 10.970 13.956 ( 0.000 -3.139 6.144) 6.900 14.053 ( 0.000 0.808 1.600) 1.793 14.068 ( 0.000 -0.126 -2.030) 2.034 15.186 ( 0.000 0.194 5.617) 5.620 15.189 ( 0.000 0.196 10.538) 10.539 15.460 ( 0.000 3.261 -7.202) 7.906 15.613 ( 0.000 -2.490 -9.403) 9.727 16.253 ( 0.000 1.707 6.977) 7.182 16.354 ( 0.000 -1.993 8.923) 9.143 16.526 ( 0.000 2.375 -6.140) 6.583 16.669 ( 0.000 -2.936 -6.527) 7.157 ======================= Grid point 232 (80/108) ======================= q-point: ( 0.09 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 3.552 7.631 15.701) 17.814 2.211 ( 0.384 4.908 10.845) 11.910 2.482 ( 3.890 -2.039 2.863) 5.243 2.546 ( -4.828 -4.207 10.567) 12.356 2.675 ( 5.386 2.086 7.505) 9.470 2.808 ( 3.567 -2.932 6.476) 7.954 3.034 ( 2.204 1.185 -5.424) 5.974 3.160 ( 0.634 -2.001 -5.411) 5.804 3.239 ( 1.322 3.553 3.521) 5.174 3.329 ( -4.315 4.177 -0.884) 6.070 3.586 ( -0.615 -4.626 0.244) 4.673 3.695 ( -2.710 -1.671 0.086) 3.185 3.781 ( -5.011 6.952 -7.454) 11.358 3.890 ( -1.810 -1.723 0.640) 2.579 4.041 ( -0.763 -5.415 -7.553) 9.325 4.176 ( -7.652 -5.756 -9.212) 13.287 4.490 ( -1.257 -2.474 3.216) 4.247 4.585 ( -4.191 5.230 0.189) 6.704 4.858 ( 8.990 1.960 6.546) 11.292 4.942 ( 5.932 1.527 4.353) 7.515 5.251 ( 0.174 1.671 21.429) 21.495 5.308 ( -3.187 -4.193 8.401) 9.916 5.624 ( -1.397 6.628 -1.659) 6.974 5.793 ( -8.259 -2.323 1.448) 8.701 5.899 ( -2.186 1.193 -0.825) 2.623 6.086 ( -11.908 -3.789 -1.455) 12.581 6.094 ( -6.701 0.068 -6.005) 8.998 6.318 ( 1.324 -2.708 -12.411) 12.772 6.405 ( 0.270 0.594 1.403) 1.547 6.660 ( 1.129 -2.364 -5.623) 6.203 6.711 ( 0.592 -1.817 -7.969) 8.195 6.873 ( 0.119 -4.630 -8.512) 9.690 7.063 ( 3.126 -0.934 2.984) 4.422 7.273 ( 6.377 3.861 -0.217) 7.458 7.320 ( 3.873 4.730 -2.949) 6.788 7.479 ( -2.644 -0.552 -7.217) 7.706 7.823 ( 1.127 3.277 2.821) 4.469 8.047 ( 2.428 5.213 -4.619) 7.376 8.105 ( 3.611 -4.362 5.106) 7.625 8.339 ( 6.743 -4.489 -4.514) 9.273 8.800 ( -3.693 4.589 4.957) 7.699 9.052 ( -1.870 1.942 -5.942) 6.525 9.157 ( 5.157 -2.743 2.489) 6.349 9.221 ( 1.211 -2.704 -0.527) 3.010 10.051 ( 1.876 3.213 6.714) 7.675 10.238 ( 3.884 -2.177 7.110) 8.389 10.391 ( 0.652 4.291 -7.204) 8.410 10.586 ( 2.594 -2.391 -8.170) 8.900 10.957 ( -0.221 -1.186 5.066) 5.208 11.146 ( -2.565 3.497 3.445) 5.539 11.234 ( 8.432 1.299 -1.039) 8.595 11.330 ( 1.962 0.071 -6.046) 6.357 11.370 ( -2.445 -3.054 6.508) 7.593 11.573 ( 8.162 -0.323 -5.480) 9.836 11.627 ( 6.360 2.394 -8.181) 10.635 11.767 ( -2.600 -2.952 -8.897) 9.728 13.066 ( -3.564 -0.256 6.917) 7.786 13.232 ( 0.589 -0.575 5.574) 5.634 13.270 ( 3.429 1.820 -2.140) 4.433 13.383 ( 3.482 -2.489 -5.754) 7.172 13.807 ( 1.495 1.751 6.253) 6.663 13.908 ( -4.676 -2.127 6.256) 8.094 14.044 ( -0.622 0.350 0.717) 1.012 14.056 ( -1.771 -0.073 -3.759) 4.156 15.144 ( -4.287 0.286 10.732) 11.560 15.175 ( -1.900 0.226 5.303) 5.638 15.421 ( -4.726 2.082 -6.516) 8.314 15.541 ( -6.671 -0.300 -8.159) 10.544 16.179 ( -6.876 0.708 6.965) 9.813 16.307 ( -4.831 -1.388 9.496) 10.744 16.441 ( -6.680 -0.696 -5.566) 8.723 16.688 ( -0.160 -0.275 -9.156) 9.162 ======================= Grid point 233 (81/108) ======================= q-point: ( 0.18 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.142 3.930 14.353) 15.035 2.195 ( -1.189 7.392 12.889) 14.906 2.401 ( -2.923 -5.379 12.082) 13.544 2.616 ( 4.799 -4.476 6.767) 9.426 2.792 ( 4.277 5.295 1.169) 6.906 2.928 ( 8.617 -1.144 2.741) 9.115 3.104 ( 4.531 1.063 -8.196) 9.425 3.138 ( -1.999 2.410 -1.457) 3.453 3.287 ( 2.011 -0.217 -2.066) 2.891 3.315 ( 1.277 1.120 -1.533) 2.288 3.416 ( -7.371 -1.718 -8.602) 11.458 3.672 ( -4.664 1.368 -6.784) 8.345 3.720 ( -1.909 -2.444 1.103) 3.292 3.831 ( -3.327 0.532 1.403) 3.650 4.014 ( -7.488 -5.122 -6.689) 11.271 4.037 ( 0.575 -1.636 -2.749) 3.250 4.509 ( 0.756 -1.813 0.938) 2.177 4.532 ( 0.496 2.661 -0.406) 2.737 4.942 ( 1.377 3.299 13.370) 13.840 5.078 ( 4.357 0.879 5.622) 7.167 5.177 ( -9.241 -4.767 6.310) 12.163 5.250 ( -0.721 1.272 21.457) 21.507 5.515 ( -11.615 7.247 -3.612) 14.158 5.678 ( -3.022 -4.429 -0.311) 5.370 5.800 ( -12.081 -2.205 -0.663) 12.299 5.851 ( -5.660 -0.976 -2.170) 6.140 6.008 ( -2.763 2.058 -10.160) 10.728 6.333 ( 0.248 1.796 -15.224) 15.331 6.398 ( -0.699 2.227 1.856) 2.982 6.561 ( -5.707 4.364 -11.742) 13.765 6.813 ( 4.203 -7.802 -0.657) 8.886 6.866 ( -0.285 -8.762 -2.059) 9.005 7.135 ( 2.784 -2.655 3.084) 4.931 7.356 ( 5.573 0.512 -8.060) 9.812 7.431 ( -1.104 0.499 -2.736) 2.992 7.474 ( 8.342 4.320 -2.319) 9.676 7.869 ( 3.693 4.242 4.455) 7.175 8.124 ( 5.282 4.947 -3.398) 7.995 8.187 ( 4.938 -3.747 5.374) 8.204 8.492 ( 8.497 -6.096 -5.961) 12.037 8.726 ( -3.818 4.071 5.956) 8.162 9.015 ( -2.033 3.095 -7.072) 7.983 9.187 ( -2.948 -2.147 4.469) 5.768 9.277 ( 4.455 -1.129 1.224) 4.756 10.116 ( 5.242 2.112 8.495) 10.203 10.337 ( 6.268 -1.121 8.159) 10.349 10.436 ( 4.437 3.874 -2.656) 6.462 10.649 ( 4.061 -2.962 -4.232) 6.571 11.028 ( 6.210 -0.784 0.228) 6.263 11.117 ( -0.184 3.032 4.030) 5.047 11.273 ( -2.448 -0.326 1.098) 2.703 11.361 ( -0.286 1.041 -3.004) 3.192 11.421 ( 7.742 -0.998 -4.575) 9.048 11.697 ( -2.272 0.074 -6.101) 6.511 11.754 ( 8.164 -0.706 -7.033) 10.798 11.795 ( 10.247 -0.623 -7.217) 12.548 13.026 ( -0.763 -0.020 10.613) 10.640 13.200 ( -3.767 -1.095 12.364) 12.972 13.348 ( 5.213 1.866 -1.911) 5.857 13.458 ( 4.015 -1.999 -6.431) 7.841 13.756 ( -7.516 -2.268 7.588) 10.919 13.920 ( 5.231 -0.470 -3.533) 6.330 14.008 ( -1.312 0.630 -3.800) 4.069 14.015 ( -2.607 0.397 -4.391) 5.122 15.011 ( -10.077 0.486 9.252) 13.689 15.105 ( -5.766 -0.792 6.759) 8.920 15.231 ( -14.593 5.705 -3.289) 16.010 15.424 ( -5.202 -1.619 -7.253) 9.071 16.041 ( -6.299 -0.798 5.310) 8.277 16.181 ( -7.858 -0.682 9.870) 12.634 16.305 ( -7.333 -1.541 -6.494) 9.916 16.634 ( -5.398 0.843 -11.835) 13.035 ======================= Grid point 234 (82/108) ======================= q-point: ( 0.27 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -2.296 0.663 13.407) 13.618 2.254 ( 4.201 1.194 9.211) 10.195 2.393 ( 0.741 -1.152 5.329) 5.502 2.626 ( -3.206 -0.589 2.474) 4.092 2.845 ( 1.286 4.265 1.379) 4.664 3.017 ( -9.872 2.726 -6.902) 12.351 3.103 ( 8.421 -0.763 0.929) 8.507 3.192 ( 6.463 1.174 2.824) 7.150 3.305 ( 4.572 -1.360 -7.263) 8.689 3.395 ( 4.237 -1.966 -1.793) 5.003 3.439 ( 2.776 0.203 -5.673) 6.319 3.523 ( -9.418 -1.288 -10.690) 14.305 3.660 ( -2.766 -0.992 0.727) 3.027 3.782 ( -2.150 0.852 -2.192) 3.186 3.953 ( 2.966 -1.110 1.715) 3.601 4.097 ( 5.813 0.469 -2.881) 6.505 4.504 ( 0.462 -1.125 3.781) 3.972 4.595 ( 3.885 1.468 -3.883) 5.686 4.878 ( -15.089 -2.022 9.042) 17.707 4.958 ( -1.873 2.869 16.201) 16.559 5.100 ( -8.462 -1.255 0.693) 8.582 5.208 ( -4.230 0.525 21.000) 21.428 5.301 ( -7.498 2.810 -0.712) 8.039 5.483 ( -13.683 -2.626 0.339) 13.937 5.648 ( -6.487 1.836 -5.845) 8.923 5.787 ( -2.404 -3.216 -2.964) 4.991 6.000 ( 1.885 0.873 -9.715) 9.935 6.329 ( -0.225 5.361 -14.485) 15.447 6.407 ( 1.468 1.653 -7.753) 8.062 6.478 ( -2.176 5.693 -6.964) 9.255 6.838 ( -1.765 -9.290 1.345) 9.552 6.855 ( -0.730 -6.317 0.068) 6.360 7.190 ( 3.603 -8.044 5.500) 10.389 7.417 ( -0.304 0.012 1.436) 1.468 7.483 ( 6.802 0.647 -9.683) 11.851 7.621 ( 6.336 3.873 -5.934) 9.505 7.959 ( 5.543 4.647 6.411) 9.665 8.235 ( 6.001 1.246 0.495) 6.149 8.292 ( 5.919 -1.235 2.854) 6.686 8.619 ( 0.839 -4.839 -0.081) 4.912 8.680 ( 2.406 1.653 0.174) 2.925 8.978 ( -1.476 4.566 -7.734) 9.102 9.091 ( -6.518 -0.569 8.788) 10.956 9.330 ( 0.717 -0.824 -1.664) 1.990 10.256 ( 9.120 1.071 11.915) 15.043 10.465 ( 6.769 -0.027 10.105) 12.163 10.556 ( 7.648 2.927 1.419) 8.311 10.748 ( 6.415 -1.186 -0.973) 6.596 11.084 ( -2.248 0.118 0.960) 2.447 11.128 ( 1.491 -1.571 2.365) 3.206 11.300 ( 3.494 1.131 -6.165) 7.176 11.349 ( 1.073 3.599 0.528) 3.793 11.501 ( -0.273 -3.138 -4.036) 5.120 11.714 ( 6.238 4.997 -8.084) 11.368 11.896 ( 5.300 -2.875 -3.120) 6.789 11.978 ( 8.220 -2.185 -6.658) 10.802 13.032 ( 1.333 0.483 13.807) 13.879 13.127 ( -2.890 -1.663 12.427) 12.867 13.464 ( 5.828 0.003 -2.317) 6.272 13.523 ( 2.244 -0.905 -8.573) 8.908 13.621 ( -4.919 -2.644 5.163) 7.606 13.908 ( -4.177 0.281 -3.483) 5.446 13.942 ( -2.085 -0.552 -4.185) 4.708 14.116 ( 6.679 0.112 -5.823) 8.861 14.761 ( -14.768 1.749 6.446) 16.208 14.925 ( -15.307 7.094 -1.048) 16.904 14.959 ( -10.171 -1.132 7.423) 12.642 15.317 ( -6.421 -3.660 -8.197) 11.037 15.961 ( -2.069 -0.015 1.876) 2.793 16.031 ( -7.090 -0.817 8.825) 11.350 16.166 ( -7.085 -0.960 -6.750) 9.833 16.495 ( -8.591 0.901 -12.853) 15.485 ======================= Grid point 235 (83/108) ======================= q-point: ( 0.36 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 7.204 -2.094 3.476) 8.268 2.261 ( -2.676 -4.351 8.420) 9.849 2.384 ( -3.932 1.254 -6.670) 7.844 2.590 ( 1.427 -1.109 0.797) 1.975 2.835 ( -1.058 4.634 -0.745) 4.811 2.893 ( -2.773 5.943 2.050) 6.871 3.157 ( -14.493 -3.973 -10.282) 18.209 3.217 ( 1.460 -0.785 -1.590) 2.297 3.350 ( 5.780 0.694 2.635) 6.390 3.414 ( -1.487 0.530 -3.699) 4.022 3.463 ( 2.122 -1.494 1.331) 2.916 3.570 ( 11.652 -2.482 -0.598) 11.928 3.652 ( -0.842 0.561 -3.255) 3.409 3.803 ( 7.559 4.316 -5.661) 10.383 4.099 ( 10.457 0.798 3.032) 10.917 4.245 ( 8.289 0.510 -0.423) 8.315 4.528 ( -1.059 -1.836 4.343) 4.832 4.565 ( -12.669 -1.370 5.811) 14.005 4.652 ( 1.054 2.169 -4.468) 5.077 4.795 ( -17.047 1.160 -1.902) 17.192 4.965 ( -1.397 1.301 15.968) 16.082 5.080 ( -8.125 1.377 15.965) 17.966 5.199 ( -5.457 -0.258 1.972) 5.808 5.255 ( -9.400 -3.338 -0.167) 9.977 5.537 ( -4.251 4.617 -0.216) 6.280 5.705 ( -6.244 -1.826 -3.777) 7.523 6.073 ( 5.265 -1.302 -11.900) 13.078 6.327 ( -1.118 2.571 -22.434) 22.609 6.414 ( 1.476 4.643 -5.696) 7.496 6.527 ( 5.689 1.685 -1.082) 6.032 6.763 ( -5.401 -7.600 4.220) 10.234 6.832 ( -2.079 -4.575 0.520) 5.052 7.266 ( 3.958 -8.817 5.806) 11.275 7.409 ( -0.791 -2.359 4.225) 4.903 7.601 ( 5.379 2.010 -10.354) 11.840 7.707 ( 2.604 3.533 -8.552) 9.613 8.075 ( 6.528 3.589 7.664) 10.688 8.331 ( 2.925 -4.100 6.677) 8.363 8.409 ( 6.220 2.149 -3.551) 7.478 8.581 ( -1.138 1.031 7.924) 8.071 8.739 ( 0.287 -2.501 -6.058) 6.560 8.950 ( -7.109 0.611 10.465) 12.666 8.996 ( 3.384 3.935 -6.635) 8.424 9.306 ( -2.986 -0.314 -4.583) 5.479 10.443 ( 9.658 0.471 14.790) 17.670 10.584 ( 5.343 0.893 12.573) 13.690 10.704 ( 7.177 2.814 4.220) 8.788 10.892 ( 8.275 1.853 0.810) 8.519 11.006 ( -4.367 0.564 2.730) 5.181 11.154 ( 0.599 -4.219 -3.572) 5.560 11.295 ( -1.274 0.208 -3.776) 3.991 11.347 ( -4.164 -0.720 -5.229) 6.724 11.559 ( 6.475 4.820 5.130) 9.564 11.866 ( 7.225 0.725 -6.218) 9.560 11.940 ( 0.407 -0.945 -0.935) 1.390 12.104 ( 4.921 -3.386 -7.602) 9.668 13.073 ( 2.607 -0.107 14.609) 14.840 13.101 ( -0.126 -1.470 10.642) 10.743 13.491 ( -2.001 -1.212 -4.993) 5.514 13.513 ( -1.194 -1.967 -6.176) 6.591 13.664 ( 5.461 -2.544 -4.646) 7.608 13.822 ( -1.637 3.042 -6.698) 7.536 13.990 ( 5.991 -1.022 5.329) 8.083 14.119 ( -7.606 0.894 4.733) 9.003 14.507 ( -13.295 2.266 1.356) 13.555 14.690 ( -6.706 3.534 -4.139) 8.636 14.760 ( -8.590 -0.426 3.112) 9.147 15.171 ( -8.863 -2.566 -10.830) 14.228 15.920 ( -3.195 -1.162 5.562) 6.519 15.969 ( 1.537 0.640 -1.224) 2.067 16.041 ( -5.819 -0.586 -5.172) 7.807 16.323 ( -9.035 0.886 -12.005) 15.051 ======================= Grid point 236 (84/108) ======================= q-point: ( 0.45 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 2.687 -2.934 -1.997) 4.452 2.228 ( 0.422 -4.807 1.001) 4.928 2.326 ( 6.191 -1.081 -8.801) 10.815 2.561 ( -9.586 -3.713 -8.335) 13.235 2.801 ( 0.676 4.139 3.824) 5.676 2.883 ( -5.329 1.346 4.847) 7.329 2.979 ( 4.634 4.374 -4.012) 7.530 3.139 ( -8.650 1.482 -4.858) 10.030 3.399 ( 2.807 -1.590 3.068) 4.452 3.436 ( -0.209 -1.313 3.978) 4.195 3.519 ( 3.979 3.030 -3.120) 5.895 3.598 ( -3.896 1.987 -3.285) 5.470 3.845 ( 15.716 -1.500 3.401) 16.150 4.050 ( 16.350 1.049 -6.301) 17.553 4.141 ( -13.507 -2.403 6.598) 15.224 4.353 ( 4.916 3.765 3.125) 6.936 4.379 ( -7.674 -2.394 -3.968) 8.964 4.535 ( 2.127 2.641 -1.856) 3.865 4.557 ( -6.363 2.239 1.153) 6.843 4.610 ( -3.151 -0.069 -1.038) 3.318 4.942 ( -0.971 -0.282 15.006) 15.040 4.962 ( -3.680 0.762 12.890) 13.426 5.104 ( -2.013 -0.105 0.763) 2.155 5.133 ( -4.072 -0.152 -0.898) 4.173 5.503 ( 1.017 2.862 2.488) 3.926 5.577 ( -6.161 0.450 -0.778) 6.226 6.179 ( 5.449 -1.654 -18.326) 19.191 6.272 ( -4.100 -0.126 -23.490) 23.845 6.496 ( 6.146 2.092 2.270) 6.878 6.609 ( -2.551 -3.668 4.442) 6.300 6.681 ( 1.950 -1.237 -0.403) 2.344 6.770 ( -4.417 -3.110 -0.335) 5.413 7.334 ( 3.085 -7.191 5.762) 9.717 7.383 ( -1.970 -4.969 5.406) 7.603 7.685 ( 3.287 3.083 -10.377) 11.313 7.724 ( -0.696 3.542 -9.865) 10.505 8.202 ( 6.513 1.170 8.015) 10.394 8.311 ( -4.379 -2.201 8.094) 9.462 8.527 ( 5.802 1.155 -6.465) 8.763 8.596 ( 0.109 -1.960 2.926) 3.523 8.719 ( 0.584 2.259 2.212) 3.215 8.809 ( -6.973 1.166 12.355) 14.235 9.106 ( 6.626 1.607 -7.494) 10.131 9.224 ( -5.459 0.392 -6.506) 8.502 10.597 ( 5.850 0.791 15.756) 16.825 10.648 ( 0.669 1.290 15.199) 15.269 10.818 ( 4.839 3.713 4.747) 7.729 10.903 ( -4.399 3.273 4.275) 6.953 11.083 ( 9.031 -0.971 -0.904) 9.128 11.168 ( 1.622 -2.561 -5.604) 6.371 11.234 ( -4.964 -1.267 -5.514) 7.527 11.259 ( -4.986 -0.924 -0.518) 5.098 11.688 ( 7.340 3.414 8.123) 11.468 11.831 ( -6.751 -1.208 7.138) 9.899 12.059 ( 7.702 0.043 -11.069) 13.485 12.148 ( -0.982 -3.066 -10.460) 10.944 13.107 ( 0.678 -0.932 11.070) 11.129 13.110 ( 0.654 -0.268 13.280) 13.299 13.472 ( 0.118 -1.812 -6.702) 6.944 13.487 ( -1.277 -2.412 -7.708) 8.176 13.730 ( 4.484 1.985 -1.378) 5.094 13.886 ( -9.406 2.423 5.084) 10.963 13.931 ( 8.292 0.761 -5.246) 9.842 14.119 ( -2.631 -0.206 -0.467) 2.680 14.289 ( -0.206 0.784 6.934) 6.982 14.481 ( -13.045 -3.181 10.823) 17.246 14.807 ( 8.335 2.402 -15.291) 17.580 14.988 ( -9.952 -0.374 -13.779) 17.001 15.895 ( 0.708 -1.589 2.472) 3.023 15.941 ( -3.829 -1.228 -1.581) 4.321 16.040 ( 5.017 1.372 -6.059) 7.985 16.162 ( -7.577 1.124 -9.548) 12.241 ======================= Grid point 242 (85/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.000 -6.864 13.809) 15.421 2.131 ( 0.000 6.864 13.809) 15.421 2.505 ( 0.000 -0.903 -0.287) 0.947 2.505 ( 0.000 0.903 -0.287) 0.947 2.686 ( 0.000 -0.363 13.898) 13.903 2.686 ( 0.000 0.363 13.898) 13.903 3.061 ( 0.000 -2.860 -6.996) 7.558 3.061 ( 0.000 2.860 -6.996) 7.558 3.352 ( 0.000 -6.464 7.249) 9.712 3.352 ( 0.000 6.464 7.249) 9.712 3.645 ( 0.000 -12.184 -0.658) 12.201 3.645 ( 0.000 12.184 -0.658) 12.201 3.882 ( 0.000 -7.118 -6.048) 9.340 3.882 ( 0.000 7.118 -6.048) 9.340 4.072 ( 0.000 -10.076 -8.488) 13.175 4.072 ( 0.000 10.076 -8.488) 13.175 4.620 ( 0.000 -1.526 4.961) 5.191 4.620 ( 0.000 1.526 4.961) 5.191 4.816 ( 0.000 -5.847 -1.564) 6.053 4.816 ( 0.000 5.847 -1.564) 6.053 5.283 ( 0.000 -1.090 19.580) 19.611 5.283 ( 0.000 1.090 19.580) 19.611 5.774 ( 0.000 -5.198 3.150) 6.078 5.774 ( 0.000 5.198 3.150) 6.078 6.068 ( 0.000 -8.386 -5.183) 9.858 6.068 ( 0.000 8.386 -5.183) 9.858 6.183 ( 0.000 -4.871 -8.086) 9.440 6.183 ( 0.000 4.871 -8.086) 9.440 6.472 ( 0.000 -3.444 1.442) 3.733 6.472 ( 0.000 3.444 1.442) 3.733 6.800 ( 0.000 -0.733 -16.247) 16.263 6.800 ( 0.000 0.733 -16.247) 16.263 7.125 ( 0.000 -0.692 6.816) 6.851 7.125 ( 0.000 0.692 6.816) 6.851 7.449 ( 0.000 -5.115 -7.939) 9.444 7.449 ( 0.000 5.115 -7.939) 9.444 7.923 ( 0.000 -6.454 5.344) 8.380 7.923 ( 0.000 6.454 5.344) 8.380 8.163 ( 0.000 -5.983 -5.344) 8.022 8.163 ( 0.000 5.983 -5.344) 8.022 8.983 ( 0.000 -6.016 2.619) 6.561 8.983 ( 0.000 6.016 2.619) 6.561 9.124 ( 0.000 -2.584 -3.296) 4.188 9.124 ( 0.000 2.584 -3.296) 4.188 10.124 ( 0.000 -3.953 6.721) 7.798 10.124 ( 0.000 3.953 6.721) 7.798 10.490 ( 0.000 -4.566 -10.002) 10.995 10.490 ( 0.000 4.566 -10.002) 10.995 11.042 ( 0.000 -0.953 6.710) 6.778 11.042 ( 0.000 0.953 6.710) 6.778 11.268 ( 0.000 -1.635 3.301) 3.684 11.268 ( 0.000 1.635 3.301) 3.684 11.423 ( 0.000 -0.890 -5.627) 5.697 11.423 ( 0.000 0.890 -5.627) 5.697 11.680 ( 0.000 -5.821 -8.975) 10.698 11.680 ( 0.000 5.821 -8.975) 10.698 13.159 ( 0.000 -0.183 3.270) 3.275 13.159 ( 0.000 0.183 3.270) 3.275 13.282 ( 0.000 -2.690 -3.487) 4.404 13.282 ( 0.000 2.690 -3.487) 4.404 13.880 ( 0.000 -3.752 8.063) 8.893 13.880 ( 0.000 3.752 8.063) 8.893 14.064 ( 0.000 -0.185 -0.312) 0.362 14.064 ( 0.000 0.185 -0.312) 0.362 15.190 ( 0.000 -0.037 8.130) 8.130 15.190 ( 0.000 0.037 8.130) 8.130 15.541 ( 0.000 -3.748 -8.275) 9.084 15.541 ( 0.000 3.748 -8.275) 9.084 16.302 ( 0.000 -2.411 7.959) 8.316 16.302 ( 0.000 2.411 7.959) 8.316 16.594 ( 0.000 -2.602 -6.266) 6.784 16.594 ( 0.000 2.602 -6.266) 6.784 ======================= Grid point 244 (86/108) ======================= q-point: ( 0.09 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.490 0.000 14.352) 14.361 2.308 ( 10.802 0.000 12.024) 16.164 2.421 ( -1.721 -0.000 3.310) 3.731 2.474 ( -12.461 0.000 16.211) 20.447 2.711 ( 11.021 0.000 3.214) 11.481 2.774 ( 3.741 0.000 5.805) 6.906 3.048 ( 1.145 0.000 -7.398) 7.486 3.129 ( 4.215 0.000 -6.034) 7.361 3.291 ( 0.062 0.000 0.377) 0.382 3.425 ( -0.950 0.000 9.984) 10.029 3.515 ( -10.532 0.000 -8.944) 13.817 3.613 ( -1.209 -0.000 3.289) 3.505 3.888 ( -2.070 -0.000 -9.016) 9.250 3.910 ( 2.004 0.000 0.139) 2.009 4.015 ( -6.735 0.000 -10.861) 12.779 4.021 ( -3.487 0.000 -4.142) 5.414 4.462 ( -2.688 0.000 5.149) 5.808 4.666 ( -6.877 0.000 -2.994) 7.500 4.873 ( 11.978 0.000 3.658) 12.525 4.944 ( 5.058 0.000 4.241) 6.601 5.264 ( -2.266 0.000 16.199) 16.356 5.290 ( -0.001 0.000 20.770) 20.770 5.664 ( -5.080 0.000 2.318) 5.584 5.846 ( 1.366 0.000 0.189) 1.379 5.878 ( -11.931 0.000 -5.246) 13.033 6.013 ( -10.668 0.000 0.434) 10.677 6.109 ( -4.656 0.000 -11.800) 12.685 6.274 ( 6.092 0.000 -11.053) 12.621 6.421 ( 0.362 0.000 3.273) 3.293 6.601 ( 5.991 0.000 -0.353) 6.001 6.712 ( -3.041 -0.000 -14.899) 15.206 6.810 ( -5.917 0.000 -6.962) 9.137 7.059 ( 3.708 0.000 2.411) 4.423 7.324 ( 10.331 0.000 0.612) 10.349 7.385 ( -4.234 0.000 -8.247) 9.271 7.456 ( -0.476 0.000 -5.641) 5.661 7.914 ( 1.836 0.000 6.814) 7.057 7.978 ( 2.860 0.000 5.914) 6.569 8.211 ( 4.554 0.000 -4.725) 6.562 8.212 ( 4.986 -0.000 -6.741) 8.384 8.870 ( -5.232 0.000 4.234) 6.730 9.084 ( -1.523 0.000 -5.160) 5.380 9.107 ( 5.940 0.000 2.269) 6.359 9.183 ( 3.093 0.000 -0.344) 3.112 10.103 ( 0.449 0.000 7.147) 7.161 10.199 ( 5.289 0.000 6.825) 8.635 10.481 ( 0.014 -0.000 -8.768) 8.768 10.521 ( 2.436 0.000 -7.455) 7.843 10.945 ( -0.404 0.000 6.930) 6.942 11.201 ( -0.354 0.000 6.134) 6.145 11.251 ( 8.215 0.000 -1.496) 8.351 11.314 ( -1.519 0.000 6.683) 6.853 11.336 ( 0.091 -0.000 -9.390) 9.390 11.568 ( 8.767 0.000 -5.250) 10.218 11.692 ( 0.956 0.000 -8.223) 8.279 11.694 ( 2.073 -0.000 -9.155) 9.387 13.063 ( -3.616 0.000 6.655) 7.574 13.225 ( 0.124 0.000 6.323) 6.325 13.321 ( 4.562 -0.000 -2.044) 4.999 13.322 ( 3.144 0.000 -6.599) 7.310 13.854 ( -4.476 0.000 8.559) 9.659 13.856 ( 0.481 -0.000 4.131) 4.159 14.049 ( -0.743 0.000 -0.184) 0.765 14.055 ( -1.838 -0.000 -2.990) 3.509 15.147 ( -4.071 0.000 10.589) 11.345 15.179 ( -2.108 0.000 5.781) 6.153 15.451 ( -6.131 0.000 -7.254) 9.498 15.535 ( -3.880 -0.000 -8.002) 8.893 16.191 ( -8.691 0.000 7.032) 11.180 16.286 ( -3.786 0.000 9.596) 10.316 16.432 ( -8.354 -0.000 -4.674) 9.573 16.684 ( 1.342 0.000 -9.710) 9.803 ======================= Grid point 246 (87/108) ======================= q-point: ( 0.18 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 4.497 -0.000 14.206) 14.900 2.211 ( -13.084 0.000 20.849) 24.615 2.423 ( 1.308 0.000 5.226) 5.387 2.509 ( 8.597 -0.000 6.491) 10.773 2.860 ( 5.444 0.000 3.018) 6.224 2.922 ( 9.558 0.000 -0.545) 9.573 3.103 ( 4.188 0.000 -5.484) 6.900 3.193 ( -0.303 0.000 -8.304) 8.309 3.288 ( -4.717 0.000 -3.899) 6.120 3.323 ( -5.974 0.000 3.948) 7.161 3.380 ( 3.839 -0.000 -7.746) 8.646 3.624 ( 0.259 0.000 1.494) 1.516 3.759 ( -10.798 0.000 -8.688) 13.859 3.881 ( -5.641 -0.000 -7.113) 9.078 3.902 ( -2.079 0.000 2.686) 3.397 4.009 ( 2.755 0.000 -0.617) 2.823 4.484 ( 2.579 0.000 1.334) 2.904 4.574 ( -2.009 0.000 -1.929) 2.786 4.975 ( 0.165 0.000 12.098) 12.099 5.068 ( 5.692 0.000 0.507) 5.715 5.149 ( -9.896 0.000 15.728) 18.582 5.276 ( -1.701 0.000 20.169) 20.241 5.586 ( -9.133 0.000 0.173) 9.135 5.658 ( -4.674 0.000 -8.401) 9.614 5.734 ( -13.946 0.000 0.680) 13.963 5.845 ( -4.716 0.000 0.254) 4.723 6.032 ( -2.879 0.000 -13.392) 13.698 6.359 ( 2.676 0.000 -18.068) 18.265 6.463 ( 3.567 0.000 5.020) 6.159 6.651 ( -3.414 0.000 0.717) 3.489 6.686 ( -0.125 0.000 -8.035) 8.036 6.705 ( -1.044 -0.000 -3.824) 3.964 7.114 ( -0.333 0.000 1.439) 1.477 7.366 ( 4.127 0.000 -9.725) 10.565 7.434 ( -0.608 0.000 -1.952) 2.045 7.512 ( 8.097 0.000 -4.854) 9.441 7.992 ( 5.994 0.000 8.834) 10.676 8.029 ( 2.642 -0.000 7.753) 8.191 8.314 ( 5.626 0.000 -5.887) 8.143 8.338 ( 7.618 -0.000 -7.021) 10.360 8.782 ( -4.001 0.000 5.814) 7.058 9.059 ( -1.262 0.000 -6.665) 6.783 9.155 ( -1.444 0.000 4.852) 5.062 9.258 ( 4.571 0.000 0.953) 4.669 10.147 ( 4.291 0.000 8.861) 9.846 10.321 ( 7.220 0.000 7.894) 10.698 10.505 ( 3.002 -0.000 -3.533) 4.636 10.593 ( 5.340 0.000 -3.428) 6.345 11.018 ( 6.483 0.000 0.377) 6.494 11.158 ( -2.743 0.000 5.519) 6.164 11.269 ( -0.566 0.000 -1.901) 1.983 11.371 ( 1.781 -0.000 1.799) 2.532 11.409 ( 5.496 0.000 -7.235) 9.085 11.693 ( 3.190 0.000 -3.748) 4.922 11.761 ( 4.824 0.000 -9.804) 10.926 11.775 ( 8.929 0.000 -8.095) 12.052 13.026 ( -0.384 0.000 10.064) 10.071 13.185 ( -4.052 0.000 12.831) 13.456 13.399 ( 4.790 -0.000 -8.655) 9.892 13.403 ( 4.058 0.000 -0.234) 4.065 13.729 ( -7.744 0.000 8.327) 11.371 13.913 ( 2.924 0.000 -2.665) 3.956 14.018 ( 0.524 -0.044 -5.391) 5.417 14.018 ( -2.785 0.044 -3.494) 4.468 15.022 ( -9.300 0.000 11.718) 14.960 15.092 ( -7.450 0.000 5.439) 9.224 15.335 ( -5.467 -0.000 -6.366) 8.391 15.374 ( -13.030 0.000 -6.108) 14.391 16.029 ( -6.557 0.000 5.759) 8.727 16.172 ( -7.563 0.000 10.133) 12.644 16.286 ( -7.127 -0.000 -5.854) 9.223 16.644 ( -5.149 0.000 -12.315) 13.348 ======================= Grid point 248 (88/108) ======================= q-point: ( 0.27 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -5.603 0.000 15.525) 16.505 2.196 ( 1.484 0.000 14.206) 14.283 2.467 ( 3.578 0.000 4.299) 5.593 2.578 ( -2.690 -0.000 -5.565) 6.181 2.936 ( 0.581 -0.000 1.497) 1.606 3.010 ( -2.430 0.000 -2.120) 3.225 3.122 ( 2.465 -0.000 -1.467) 2.868 3.194 ( 6.817 0.000 -0.013) 6.817 3.298 ( 1.233 -0.000 -5.344) 5.485 3.351 ( 5.921 0.000 -1.744) 6.173 3.447 ( 0.433 -0.000 -8.250) 8.261 3.500 ( -10.414 0.000 -8.909) 13.704 3.650 ( 0.216 0.000 0.751) 0.781 3.809 ( -1.561 -0.000 -5.825) 6.031 3.925 ( 5.917 0.000 5.991) 8.420 4.101 ( 6.872 0.000 -1.148) 6.967 4.493 ( -0.296 0.000 3.788) 3.799 4.613 ( 4.227 -0.000 -4.925) 6.490 4.850 ( -14.968 0.000 9.629) 17.798 4.996 ( -2.709 0.000 16.774) 16.991 5.086 ( -5.897 0.000 1.727) 6.145 5.217 ( -4.569 0.000 17.702) 18.282 5.335 ( -11.567 -0.000 -1.799) 11.706 5.455 ( -14.343 0.000 2.948) 14.643 5.670 ( 1.091 -0.000 -7.713) 7.790 5.737 ( -6.325 0.000 -0.695) 6.363 6.009 ( 0.613 0.000 -13.100) 13.114 6.388 ( 0.294 0.000 -24.829) 24.831 6.522 ( 2.101 0.000 7.089) 7.394 6.575 ( -2.795 -0.000 -1.891) 3.375 6.682 ( -2.403 -0.000 -3.787) 4.485 6.697 ( 1.080 0.000 -1.496) 1.845 7.108 ( 1.330 0.000 6.571) 6.705 7.415 ( -1.283 0.000 1.804) 2.214 7.495 ( 7.596 0.000 -11.915) 14.130 7.647 ( 5.810 0.000 -8.516) 10.309 8.084 ( 3.219 0.000 8.885) 9.450 8.125 ( 7.458 -0.000 10.285) 12.704 8.413 ( 4.665 0.000 -7.227) 8.602 8.471 ( 5.202 0.000 -4.424) 6.829 8.727 ( -1.254 0.000 5.142) 5.292 9.036 ( -0.874 0.000 -7.834) 7.883 9.081 ( -5.679 0.000 8.888) 10.547 9.317 ( 1.089 0.000 -1.353) 1.737 10.270 ( 8.452 0.000 12.110) 14.768 10.465 ( 7.543 0.000 10.072) 12.583 10.600 ( 6.659 0.000 0.912) 6.721 10.729 ( 8.860 0.000 0.167) 8.862 11.095 ( 0.608 -0.000 -2.906) 2.969 11.098 ( -3.529 0.000 5.791) 6.781 11.310 ( 2.073 0.000 -8.711) 8.954 11.427 ( -2.963 -0.000 -8.947) 9.425 11.442 ( 8.040 0.000 9.423) 12.387 11.781 ( 5.456 0.000 -2.471) 5.989 11.865 ( 5.650 0.000 -9.019) 10.643 11.932 ( 6.693 0.000 -9.046) 11.253 13.041 ( 1.760 0.000 12.270) 12.396 13.101 ( -3.632 0.000 14.061) 14.523 13.470 ( 2.206 0.000 -2.187) 3.106 13.502 ( 5.618 0.000 -10.091) 11.549 13.589 ( -5.982 0.000 6.597) 8.906 13.909 ( 0.156 -0.000 0.318) 0.355 13.939 ( -5.093 0.000 -7.109) 8.746 14.117 ( 5.722 0.000 -5.620) 8.020 14.803 ( -12.736 0.000 9.421) 15.841 14.902 ( -11.719 -0.000 8.047) 14.215 15.071 ( -17.150 -0.000 -5.893) 18.134 15.240 ( -4.987 0.000 -8.081) 9.496 15.960 ( -0.977 0.000 2.158) 2.369 16.021 ( -7.604 0.000 9.270) 11.990 16.154 ( -6.670 0.000 -6.158) 9.079 16.507 ( -8.643 0.000 -13.321) 15.879 ======================= Grid point 250 (89/108) ======================= q-point: ( 0.36 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 5.078 0.000 4.997) 7.124 2.185 ( -1.733 0.000 10.989) 11.124 2.438 ( -9.477 0.000 -13.219) 16.265 2.548 ( 3.610 0.000 -0.425) 3.635 2.917 ( -1.454 -0.000 -1.009) 1.770 2.958 ( -2.519 0.000 6.302) 6.787 3.106 ( -12.550 0.000 -11.299) 16.887 3.199 ( 2.886 0.000 -1.482) 3.244 3.382 ( -3.417 -0.000 -0.531) 3.458 3.383 ( 5.309 0.000 6.049) 8.048 3.473 ( 4.831 -0.000 -6.288) 7.929 3.531 ( 12.193 0.000 1.039) 12.237 3.653 ( -0.904 0.000 -3.211) 3.336 3.859 ( 7.339 0.000 -8.110) 10.938 4.108 ( 11.225 0.000 3.785) 11.846 4.252 ( 7.110 0.000 0.639) 7.139 4.509 ( 2.114 0.000 5.711) 6.090 4.547 ( -14.295 0.000 6.534) 15.717 4.678 ( 1.510 -0.000 -5.455) 5.660 4.809 ( -17.085 0.000 -3.429) 17.426 4.980 ( -2.430 0.000 18.803) 18.960 5.102 ( -7.071 0.000 13.050) 14.842 5.197 ( -4.578 -0.000 0.438) 4.599 5.212 ( -10.245 0.000 3.180) 10.727 5.622 ( -5.308 -0.000 1.902) 5.639 5.653 ( -3.078 0.000 -6.264) 6.979 6.055 ( 4.044 0.000 -13.494) 14.086 6.359 ( -3.395 0.000 -25.191) 25.419 6.546 ( -0.451 0.000 -2.640) 2.678 6.548 ( 0.865 -0.000 7.340) 7.391 6.647 ( -0.468 0.000 -3.316) 3.349 6.714 ( 0.366 0.000 -0.750) 0.834 7.165 ( 4.121 0.000 8.667) 9.597 7.382 ( -2.307 0.000 5.103) 5.600 7.628 ( 6.067 0.000 -13.073) 14.412 7.731 ( 2.917 0.000 -10.855) 11.240 8.152 ( 3.802 0.000 9.072) 9.836 8.251 ( 4.855 0.000 9.960) 11.080 8.493 ( 3.771 -0.000 -7.641) 8.521 8.520 ( 1.038 0.000 2.585) 2.786 8.735 ( 1.071 0.000 0.923) 1.414 8.956 ( -7.124 0.000 11.758) 13.748 9.046 ( 2.490 0.000 -8.127) 8.500 9.301 ( -2.540 0.000 -4.062) 4.791 10.449 ( 9.510 0.000 14.605) 17.428 10.597 ( 5.841 0.000 12.864) 14.128 10.746 ( 8.139 0.000 4.500) 9.300 10.916 ( 9.757 0.000 0.275) 9.761 11.027 ( -3.385 -0.000 7.442) 8.176 11.084 ( -0.889 0.000 -4.347) 4.437 11.303 ( -1.855 -0.000 -5.578) 5.878 11.333 ( -6.217 0.000 -7.475) 9.723 11.633 ( 9.083 0.000 6.749) 11.316 11.843 ( 0.136 0.000 1.608) 1.614 11.971 ( 5.489 -0.000 -7.184) 9.041 12.036 ( 4.531 0.000 -11.390) 12.258 13.070 ( 0.301 -0.000 11.676) 11.680 13.081 ( 2.096 0.000 13.484) 13.646 13.473 ( -1.288 0.000 -7.040) 7.156 13.488 ( -2.971 0.000 -2.065) 3.618 13.638 ( 6.806 0.000 -5.310) 8.632 13.858 ( -1.875 0.000 -8.153) 8.366 13.976 ( 6.197 0.000 6.618) 9.067 14.129 ( -5.535 0.000 3.405) 6.499 14.558 ( -13.942 0.000 3.158) 14.295 14.667 ( -12.520 -0.000 10.641) 16.431 14.814 ( -6.090 0.000 -12.817) 14.190 15.127 ( -6.954 0.000 -11.600) 13.524 15.906 ( -3.978 0.000 7.106) 8.144 15.975 ( 1.854 0.000 -1.610) 2.455 16.034 ( -5.364 0.000 -4.561) 7.041 16.335 ( -8.964 0.000 -12.498) 15.380 ======================= Grid point 252 (90/108) ======================= q-point: ( 0.45 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 5.741 -0.000 -3.857) 6.916 2.167 ( 0.468 0.000 2.520) 2.563 2.314 ( 1.203 -0.000 -10.130) 10.202 2.504 ( -10.202 0.000 -10.906) 14.934 2.859 ( -0.855 -0.000 4.203) 4.289 2.900 ( -3.358 0.000 7.810) 8.502 3.038 ( 4.360 0.000 -3.518) 5.602 3.157 ( -6.387 0.000 -4.143) 7.614 3.377 ( 2.604 -0.000 3.950) 4.731 3.417 ( -0.692 0.000 5.138) 5.184 3.560 ( 3.957 0.000 -6.086) 7.260 3.619 ( -2.310 0.000 -4.282) 4.865 3.826 ( 16.150 0.000 3.177) 16.460 4.064 ( 13.706 0.000 -6.987) 15.384 4.113 ( -12.948 0.000 6.244) 14.375 4.349 ( -10.495 0.000 -5.085) 11.662 4.405 ( 8.781 0.000 4.281) 9.769 4.562 ( 1.953 -0.000 3.465) 3.977 4.582 ( -1.023 0.000 -2.285) 2.503 4.618 ( -7.705 -0.000 0.396) 7.715 4.934 ( -1.494 0.000 16.042) 16.111 4.976 ( -5.576 0.000 10.414) 11.813 5.103 ( -0.697 0.000 0.195) 0.724 5.132 ( -2.496 0.000 0.022) 2.496 5.552 ( -1.513 -0.000 3.209) 3.548 5.576 ( -3.710 0.000 -1.223) 3.907 6.154 ( 5.908 0.000 -15.724) 16.797 6.268 ( -5.737 0.000 -19.912) 20.722 6.550 ( 0.531 0.000 -0.609) 0.808 6.556 ( -0.006 -0.000 2.971) 2.971 6.665 ( 1.960 0.000 -3.131) 3.694 6.703 ( -1.526 -0.000 -2.073) 2.574 7.249 ( 4.375 0.000 8.717) 9.753 7.326 ( -3.542 -0.000 7.487) 8.283 7.720 ( 3.453 0.000 -13.220) 13.663 7.756 ( -0.305 0.000 -12.422) 12.426 8.226 ( 3.758 0.000 8.794) 9.563 8.282 ( -1.474 0.000 8.626) 8.751 8.553 ( 2.146 -0.000 -6.149) 6.513 8.554 ( 2.023 0.000 1.482) 2.508 8.750 ( 1.382 0.000 4.604) 4.807 8.824 ( -6.122 0.000 12.018) 13.488 9.127 ( 5.396 0.000 -7.415) 9.171 9.229 ( -4.791 0.000 -6.055) 7.721 10.607 ( 6.370 0.000 15.749) 16.989 10.666 ( 0.641 0.000 15.532) 15.545 10.882 ( 5.178 0.000 8.216) 9.712 10.947 ( -2.824 0.000 4.832) 5.597 11.086 ( 1.944 -0.000 -8.450) 8.671 11.100 ( 5.710 0.000 1.233) 5.841 11.216 ( -4.307 0.000 -6.534) 7.826 11.251 ( -3.687 0.000 -2.365) 4.380 11.747 ( 3.486 0.000 7.636) 8.394 11.805 ( -3.041 -0.000 6.256) 6.955 12.068 ( 3.916 -0.000 -9.139) 9.943 12.095 ( 1.154 0.000 -11.911) 11.967 13.093 ( 1.498 0.000 11.099) 11.199 13.107 ( 0.333 0.000 12.996) 13.000 13.451 ( -0.554 -0.000 -7.615) 7.635 13.454 ( -0.834 0.000 -5.597) 5.659 13.755 ( 6.241 0.000 -2.009) 6.557 13.922 ( -10.668 0.000 5.136) 11.840 13.936 ( 10.015 -0.000 -6.186) 11.771 14.115 ( -0.411 0.000 0.818) 0.915 14.305 ( -5.521 -0.000 6.568) 8.580 14.434 ( -11.467 0.000 11.658) 16.352 14.840 ( 5.993 -0.000 -16.747) 17.787 14.981 ( -8.023 0.000 -14.999) 17.010 15.876 ( 0.741 0.000 3.600) 3.676 15.925 ( -4.138 0.000 -0.410) 4.158 16.057 ( 5.015 0.000 -6.382) 8.117 16.176 ( -7.394 0.000 -9.972) 12.414 ======================= Grid point 275 (91/108) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.000 0.000 -14.606) 14.606 2.149 ( 0.000 0.000 14.606) 14.606 2.435 ( 0.000 0.000 -9.607) 9.607 2.435 ( 0.000 0.000 9.607) 9.607 2.955 ( 0.000 0.000 -5.156) 5.156 2.955 ( 0.000 0.000 5.156) 5.156 3.011 ( 0.000 0.000 -9.529) 9.529 3.011 ( 0.000 0.000 9.529) 9.529 3.289 ( 0.000 0.000 -0.600) 0.600 3.289 ( 0.000 0.000 0.600) 0.600 3.671 ( 0.000 0.000 -1.977) 1.977 3.671 ( 0.000 0.000 1.977) 1.977 3.873 ( 0.000 0.000 -15.671) 15.671 3.873 ( 0.000 0.000 15.671) 15.671 4.079 ( 0.000 0.000 -10.000) 10.000 4.079 ( 0.000 0.000 10.000) 10.000 4.592 ( 0.000 0.000 -1.235) 1.235 4.592 ( 0.000 0.000 1.235) 1.235 4.832 ( 0.000 0.000 -1.270) 1.270 4.832 ( 0.000 0.000 1.270) 1.270 5.484 ( 0.000 0.000 -0.258) 0.258 5.484 ( 0.000 0.000 0.258) 0.258 5.659 ( 0.000 0.000 -17.915) 17.915 5.659 ( 0.000 0.000 17.915) 17.915 6.069 ( 0.000 0.000 -11.709) 11.709 6.069 ( 0.000 0.000 11.709) 11.709 6.287 ( 0.000 0.000 -3.967) 3.967 6.287 ( 0.000 0.000 3.967) 3.967 6.489 ( 0.000 0.000 -11.440) 11.440 6.489 ( 0.000 0.000 11.440) 11.440 6.676 ( 0.000 0.000 -4.763) 4.763 6.676 ( 0.000 0.000 4.763) 4.763 7.108 ( 0.000 0.000 -2.484) 2.484 7.108 ( 0.000 0.000 2.484) 2.484 7.344 ( 0.000 0.000 -7.950) 7.950 7.344 ( 0.000 0.000 7.950) 7.950 7.841 ( 0.000 0.000 -4.832) 4.832 7.841 ( 0.000 0.000 4.832) 4.832 8.233 ( 0.000 0.000 -4.494) 4.494 8.233 ( 0.000 0.000 4.494) 4.494 8.919 ( 0.000 0.000 -7.506) 7.506 8.919 ( 0.000 0.000 7.506) 7.506 9.186 ( 0.000 0.000 -3.187) 3.187 9.186 ( 0.000 0.000 3.187) 3.187 10.148 ( 0.000 0.000 -9.256) 9.256 10.148 ( 0.000 0.000 9.256) 9.256 10.389 ( 0.000 0.000 -9.069) 9.069 10.389 ( 0.000 0.000 9.069) 9.069 11.071 ( 0.000 0.000 -4.823) 4.823 11.071 ( 0.000 0.000 4.823) 4.823 11.277 ( 0.000 0.000 -8.456) 8.456 11.277 ( 0.000 0.000 8.456) 8.456 11.373 ( 0.000 0.000 -3.994) 3.994 11.373 ( 0.000 0.000 3.994) 3.994 11.645 ( 0.000 0.000 -9.959) 9.959 11.645 ( 0.000 0.000 9.959) 9.959 13.191 ( 0.000 0.000 -0.212) 0.212 13.191 ( 0.000 0.000 0.212) 0.212 13.263 ( 0.000 0.000 -6.062) 6.062 13.263 ( 0.000 0.000 6.062) 6.062 13.964 ( 0.000 0.000 -7.700) 7.700 13.964 ( 0.000 0.000 7.700) 7.700 14.059 ( 0.000 0.000 -0.744) 0.744 14.059 ( 0.000 0.000 0.744) 0.744 15.291 ( 0.000 0.000 -6.093) 6.093 15.291 ( 0.000 0.000 6.093) 6.093 15.422 ( 0.000 0.000 -11.629) 11.629 15.422 ( 0.000 0.000 11.629) 11.629 16.370 ( 0.000 0.000 -6.776) 6.776 16.370 ( 0.000 0.000 6.776) 6.776 16.553 ( 0.000 0.000 -8.195) 8.195 16.553 ( 0.000 0.000 8.195) 8.195 ======================= Grid point 277 (92/108) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.345 0.000 -10.302) 10.308 2.143 ( 0.345 0.000 10.302) 10.308 2.547 ( 9.940 0.000 -6.538) 11.897 2.547 ( 9.940 0.000 6.538) 11.897 2.916 ( -3.857 0.000 -7.301) 8.257 2.916 ( -3.857 0.000 7.301) 8.257 3.037 ( 1.102 0.000 -10.633) 10.690 3.037 ( 1.102 0.000 10.633) 10.690 3.241 ( -2.498 0.000 -1.466) 2.896 3.241 ( -2.498 0.000 1.466) 2.896 3.587 ( -6.653 0.000 -1.961) 6.936 3.587 ( -6.653 0.000 1.961) 6.936 3.913 ( 1.187 0.000 -10.091) 10.161 3.913 ( 1.187 0.000 10.091) 10.161 4.029 ( -4.395 0.000 -8.159) 9.267 4.029 ( -4.395 0.000 8.159) 9.268 4.537 ( -2.899 0.000 -0.021) 2.899 4.537 ( -2.899 0.000 0.021) 2.899 4.953 ( 9.390 0.000 -1.991) 9.599 4.953 ( 9.390 0.000 1.991) 9.599 5.446 ( -4.168 0.000 -0.902) 4.264 5.446 ( -4.168 0.000 0.902) 4.264 5.658 ( -0.083 0.000 -17.511) 17.511 5.658 ( -0.083 0.000 17.511) 17.511 6.022 ( -4.738 0.000 -9.801) 10.886 6.022 ( -4.738 0.000 9.801) 10.886 6.126 ( -13.057 0.000 -2.412) 13.278 6.126 ( -13.057 0.000 2.412) 13.278 6.454 ( -2.769 0.000 -6.762) 7.307 6.454 ( -2.769 0.000 6.762) 7.307 6.800 ( 8.273 0.000 -3.269) 8.895 6.800 ( 8.273 0.000 3.269) 8.895 7.159 ( 5.286 0.000 -3.005) 6.081 7.159 ( 5.286 0.000 3.005) 6.081 7.346 ( 0.446 0.000 -5.950) 5.967 7.346 ( 0.446 0.000 5.950) 5.967 7.846 ( 1.129 0.000 -4.991) 5.118 7.846 ( 1.129 0.000 4.991) 5.118 8.295 ( 5.828 0.000 -5.542) 8.043 8.295 ( 5.828 0.000 5.542) 8.043 8.878 ( -3.384 0.000 -7.644) 8.359 8.878 ( -3.384 0.000 7.644) 8.359 9.235 ( 3.687 0.000 -1.682) 4.052 9.235 ( 3.687 0.000 1.682) 4.052 10.172 ( 2.832 0.000 -8.997) 9.433 10.172 ( 2.832 0.000 8.997) 9.433 10.433 ( 4.265 0.000 -9.233) 10.171 10.433 ( 4.265 0.000 9.233) 10.171 11.052 ( -0.365 0.000 -3.769) 3.787 11.052 ( -0.365 0.000 3.769) 3.787 11.282 ( 0.011 0.000 -3.152) 3.152 11.282 ( 0.011 0.000 3.152) 3.152 11.475 ( 8.757 0.000 -1.488) 8.882 11.475 ( 8.757 0.000 1.488) 8.882 11.618 ( -2.035 0.000 -8.315) 8.560 11.618 ( -2.035 0.000 8.315) 8.560 13.191 ( 0.634 0.000 -4.368) 4.414 13.191 ( 0.634 0.000 4.368) 4.414 13.315 ( 4.297 0.000 -3.002) 5.241 13.315 ( 4.297 0.000 3.002) 5.241 13.932 ( -2.808 0.000 -7.313) 7.834 13.932 ( -2.808 0.000 7.313) 7.834 14.028 ( -3.332 0.000 -2.554) 4.198 14.028 ( -3.332 0.000 2.554) 4.198 15.278 ( -2.299 0.000 -5.627) 6.078 15.278 ( -2.299 0.000 5.627) 6.078 15.356 ( -6.018 0.000 -10.364) 11.984 15.356 ( -6.018 0.000 10.364) 11.984 16.313 ( -5.600 0.000 -7.167) 9.095 16.313 ( -5.600 0.000 7.167) 9.095 16.513 ( -4.230 0.000 -9.214) 10.139 16.513 ( -4.230 0.000 9.214) 10.139 ======================= Grid point 279 (93/108) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 1.866 0.000 -4.248) 4.640 2.170 ( 1.866 0.000 4.248) 4.640 2.717 ( -0.093 0.000 -6.072) 6.073 2.717 ( -0.093 0.000 6.072) 6.073 2.809 ( 0.105 0.000 -12.235) 12.235 2.809 ( 0.105 0.000 12.235) 12.235 3.064 ( 3.446 0.000 -5.866) 6.803 3.064 ( 3.446 0.000 5.866) 6.803 3.276 ( 4.940 0.000 -0.356) 4.953 3.276 ( 4.940 0.000 0.356) 4.953 3.444 ( -8.023 0.000 -9.269) 12.258 3.444 ( -8.023 0.000 9.269) 12.258 3.853 ( -6.292 0.000 -1.458) 6.458 3.853 ( -6.292 0.000 1.458) 6.458 3.975 ( -0.893 0.000 -1.595) 1.828 3.975 ( -0.893 0.000 1.595) 1.828 4.516 ( 0.525 0.000 -1.027) 1.154 4.516 ( 0.525 0.000 1.027) 1.154 5.121 ( 7.331 0.000 -4.933) 8.837 5.121 ( 7.331 0.000 4.933) 8.837 5.312 ( -10.212 0.000 -3.169) 10.692 5.312 ( -10.212 0.000 3.169) 10.692 5.662 ( 0.731 0.000 -15.663) 15.680 5.662 ( 0.731 0.000 15.663) 15.680 5.813 ( -15.439 0.000 -0.277) 15.441 5.813 ( -15.439 0.000 0.277) 15.441 5.967 ( -4.035 0.000 -15.768) 16.276 5.967 ( -4.035 0.000 15.768) 16.276 6.385 ( -3.969 0.000 -1.323) 4.184 6.385 ( -3.969 0.000 1.323) 4.184 6.916 ( 3.692 0.000 -2.704) 4.577 6.916 ( 3.692 0.000 2.704) 4.577 7.289 ( 7.152 0.000 -2.117) 7.458 7.289 ( 7.152 0.000 2.117) 7.458 7.377 ( 3.169 0.000 -0.860) 3.283 7.377 ( 3.169 0.000 0.860) 3.283 7.900 ( 4.600 0.000 -5.668) 7.300 7.900 ( 4.600 0.000 5.668) 7.300 8.428 ( 7.614 0.000 -7.718) 10.841 8.428 ( 7.614 0.000 7.718) 10.841 8.811 ( -3.514 0.000 -7.903) 8.649 8.811 ( -3.514 0.000 7.903) 8.649 9.282 ( 0.631 0.000 -2.197) 2.286 9.282 ( 0.631 0.000 2.197) 2.286 10.269 ( 7.548 0.000 -8.614) 11.453 10.269 ( 7.548 0.000 8.614) 11.453 10.537 ( 6.231 0.000 -9.148) 11.068 10.537 ( 6.231 0.000 9.148) 11.068 11.080 ( 2.706 0.000 -2.826) 3.913 11.080 ( 2.706 0.000 2.826) 3.913 11.288 ( 0.977 0.000 -1.349) 1.665 11.288 ( 0.977 0.000 1.349) 1.665 11.513 ( -3.356 0.000 -8.978) 9.585 11.513 ( -3.356 0.000 8.978) 9.585 11.724 ( 11.400 0.000 -0.656) 11.419 11.724 ( 11.400 0.000 0.656) 11.419 13.223 ( 2.730 0.000 -8.634) 9.055 13.223 ( 2.730 0.000 8.634) 9.055 13.386 ( 2.120 0.000 -4.686) 5.143 13.386 ( 2.120 0.000 4.686) 5.143 13.896 ( -0.138 0.000 -1.025) 1.034 13.896 ( -0.138 0.000 1.025) 1.034 13.931 ( -6.255 0.000 -4.149) 7.506 13.931 ( -6.255 0.000 4.149) 7.506 15.114 ( -13.815 0.000 -3.513) 14.255 15.114 ( -13.815 0.000 3.513) 14.255 15.279 ( -3.136 0.000 -8.518) 9.077 15.279 ( -3.136 0.000 8.518) 9.077 16.178 ( -7.801 0.000 -7.284) 10.673 16.178 ( -7.801 0.000 7.284) 10.673 16.398 ( -7.463 0.000 -10.905) 13.214 16.398 ( -7.463 0.000 10.905) 13.214 ======================= Grid point 281 (94/108) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -1.266 0.000 -4.487) 4.662 2.181 ( -1.266 0.000 4.487) 4.662 2.604 ( -3.464 0.000 -5.810) 6.764 2.604 ( -3.464 0.000 5.810) 6.764 2.885 ( -0.402 0.000 -1.670) 1.718 2.885 ( -0.402 0.000 1.670) 1.718 3.196 ( 9.696 0.000 -2.843) 10.104 3.196 ( 9.696 0.000 2.843) 10.104 3.259 ( -6.891 0.000 -7.403) 10.114 3.259 ( -6.891 0.000 7.403) 10.114 3.406 ( 4.768 0.000 -1.372) 4.961 3.406 ( 4.768 0.000 1.372) 4.961 3.734 ( -5.491 0.000 -3.225) 6.368 3.734 ( -5.491 0.000 3.225) 6.368 4.002 ( 4.712 0.000 -3.906) 6.121 4.002 ( 4.712 0.000 3.906) 6.121 4.543 ( 1.970 0.000 -0.478) 2.027 4.543 ( 1.970 0.000 0.478) 2.027 5.055 ( -16.383 0.000 -4.708) 17.046 5.055 ( -16.383 0.000 4.708) 17.046 5.211 ( 1.881 0.000 -7.351) 7.588 5.211 ( 1.881 0.000 7.351) 7.588 5.512 ( -14.788 0.000 -0.924) 14.817 5.512 ( -14.788 0.000 0.924) 14.817 5.698 ( 1.910 0.000 -18.203) 18.303 5.698 ( 1.910 0.000 18.203) 18.303 5.897 ( -3.863 0.000 -14.703) 15.202 5.897 ( -3.863 0.000 14.703) 15.202 6.344 ( 0.879 0.000 -3.085) 3.207 6.344 ( 0.879 0.000 3.085) 3.207 6.948 ( -0.246 0.000 -2.358) 2.371 6.948 ( -0.246 0.000 2.358) 2.371 7.394 ( 4.087 0.000 -1.952) 4.529 7.394 ( 4.087 0.000 1.952) 4.529 7.464 ( 4.917 0.000 -2.388) 5.467 7.464 ( 4.917 0.000 2.388) 5.467 8.017 ( 7.417 0.000 -6.799) 10.062 8.017 ( 7.417 0.000 6.799) 10.062 8.579 ( 8.069 0.000 -9.668) 12.593 8.579 ( 8.069 0.000 9.668) 12.593 8.737 ( -4.449 0.000 -8.057) 9.204 8.737 ( -4.449 0.000 8.057) 9.204 9.253 ( -3.426 0.000 -6.404) 7.263 9.253 ( -3.426 0.000 6.404) 7.263 10.456 ( 11.536 0.000 -8.052) 14.068 10.456 ( 11.536 0.000 8.052) 14.068 10.659 ( 6.356 0.000 -8.217) 10.389 10.659 ( 6.356 0.000 8.217) 10.389 11.109 ( -0.645 0.000 -3.725) 3.781 11.109 ( -0.645 0.000 3.725) 3.781 11.309 ( 0.342 0.000 -0.167) 0.381 11.309 ( 0.342 0.000 0.167) 0.381 11.500 ( 3.816 0.000 -1.821) 4.228 11.500 ( 3.816 0.000 1.821) 4.228 11.928 ( 8.931 0.000 -1.811) 9.113 11.928 ( 8.931 0.000 1.811) 9.113 13.289 ( 3.794 0.000 -11.820) 12.414 13.289 ( 3.794 0.000 11.820) 12.414 13.380 ( -2.148 0.000 -10.269) 10.491 13.380 ( -2.148 0.000 10.269) 10.491 13.780 ( -7.668 0.000 -6.434) 10.010 13.780 ( -7.668 0.000 6.434) 10.010 13.978 ( 7.181 0.000 -5.508) 9.050 13.978 ( 7.181 0.000 5.508) 9.050 14.805 ( -17.676 0.000 -0.469) 17.683 14.805 ( -17.676 0.000 0.469) 17.683 15.184 ( -7.272 0.000 -9.254) 11.769 15.184 ( -7.272 0.000 9.254) 11.769 16.039 ( -6.194 0.000 -5.912) 8.562 16.039 ( -6.194 0.000 5.912) 8.562 16.244 ( -8.169 0.000 -11.205) 13.866 16.244 ( -8.169 0.000 11.205) 13.866 ======================= Grid point 283 (95/108) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.291 0.000 -5.574) 5.581 2.155 ( 0.291 0.000 5.574) 5.581 2.605 ( 0.264 0.000 -1.698) 1.718 2.605 ( 0.264 0.000 1.698) 1.718 2.770 ( -7.543 0.000 -6.145) 9.729 2.770 ( -7.543 0.000 6.145) 9.729 3.135 ( -6.556 0.000 -4.076) 7.720 3.135 ( -6.556 0.000 4.076) 7.720 3.362 ( 5.529 0.000 -1.751) 5.800 3.362 ( 5.529 0.000 1.751) 5.800 3.531 ( 6.363 0.000 -3.682) 7.352 3.531 ( 6.363 0.000 3.682) 7.352 3.683 ( 3.629 0.000 -2.961) 4.684 3.683 ( 3.629 0.000 2.961) 4.684 4.161 ( 11.076 0.000 -4.625) 12.003 4.161 ( 11.076 0.000 4.625) 12.003 4.578 ( 0.863 0.000 -0.080) 0.867 4.578 ( 0.863 0.000 0.080) 0.867 4.706 ( -19.307 0.000 -5.905) 20.190 4.706 ( -19.307 0.000 5.905) 20.190 5.199 ( -2.873 0.000 -5.164) 5.909 5.199 ( -2.873 0.000 5.164) 5.909 5.256 ( -11.413 0.000 -3.321) 11.886 5.256 ( -11.413 0.000 3.321) 11.886 5.723 ( 0.601 0.000 -18.944) 18.954 5.723 ( 0.601 0.000 18.944) 18.954 5.822 ( -3.586 0.000 -18.463) 18.808 5.822 ( -3.586 0.000 18.463) 18.808 6.434 ( 8.006 0.000 -5.959) 9.980 6.434 ( 8.006 0.000 5.959) 9.980 6.907 ( -4.115 0.000 -0.159) 4.118 6.907 ( -4.115 0.000 0.159) 4.118 7.462 ( 3.120 0.000 -3.782) 4.903 7.462 ( 3.120 0.000 3.782) 4.903 7.531 ( 1.878 0.000 -2.958) 3.504 7.531 ( 1.878 0.000 2.958) 3.504 8.174 ( 8.782 0.000 -7.777) 11.730 8.174 ( 8.782 0.000 7.777) 11.730 8.636 ( -6.137 0.000 -7.934) 10.030 8.636 ( -6.137 0.000 7.934) 10.030 8.735 ( 8.219 0.000 -10.686) 13.481 8.735 ( 8.219 0.000 10.686) 13.481 9.162 ( -5.864 0.000 -9.398) 11.078 9.162 ( -5.864 0.000 9.398) 11.078 10.672 ( 9.499 0.000 -6.030) 11.252 10.672 ( 9.499 0.000 6.030) 11.252 10.783 ( 7.012 0.000 -8.192) 10.783 10.783 ( 7.012 0.000 8.192) 10.783 11.060 ( -3.179 0.000 -5.010) 5.933 11.060 ( -3.179 0.000 5.010) 5.933 11.301 ( -1.379 0.000 -1.009) 1.708 11.301 ( -1.379 0.000 1.009) 1.708 11.640 ( 9.572 0.000 -9.026) 13.157 11.640 ( 9.572 0.000 9.026) 13.157 12.038 ( 2.113 0.000 -4.379) 4.862 12.038 ( 2.113 0.000 4.379) 4.862 13.332 ( -0.882 0.000 -11.330) 11.364 13.332 ( -0.882 0.000 11.330) 11.364 13.352 ( 0.592 0.000 -11.160) 11.175 13.352 ( 0.592 0.000 11.160) 11.175 13.683 ( -0.731 0.000 -0.423) 0.844 13.683 ( -0.731 0.000 0.423) 0.844 14.127 ( 5.564 0.000 -4.899) 7.413 14.127 ( 5.564 0.000 4.899) 7.413 14.486 ( -12.908 0.000 -1.472) 12.992 14.486 ( -12.908 0.000 1.472) 12.992 14.997 ( -11.954 0.000 -10.285) 15.770 14.997 ( -11.954 0.000 10.285) 15.770 15.956 ( -2.435 0.000 -2.719) 3.650 15.956 ( -2.435 0.000 2.719) 3.650 16.099 ( -6.721 0.000 -9.358) 11.522 16.099 ( -6.721 0.000 9.358) 11.522 ======================= Grid point 285 (96/108) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 7.986 0.000 -2.230) 8.292 2.232 ( 7.986 0.000 2.230) 8.292 2.441 ( -12.809 0.000 -9.364) 15.866 2.441 ( -12.809 0.000 9.364) 15.866 2.810 ( 7.969 0.000 -4.018) 8.925 2.810 ( 7.969 0.000 4.018) 8.925 2.981 ( -9.130 0.000 -6.650) 11.295 2.981 ( -9.130 0.000 6.650) 11.295 3.452 ( 4.403 0.000 -0.901) 4.495 3.452 ( 4.403 0.000 0.901) 4.495 3.528 ( -3.283 0.000 -2.475) 4.112 3.528 ( -3.283 0.000 2.475) 4.112 3.940 ( 18.316 0.000 -3.855) 18.717 3.940 ( 18.316 0.000 3.855) 18.717 4.308 ( -18.123 0.000 -3.261) 18.414 4.308 ( -18.123 0.000 3.261) 18.414 4.393 ( 9.314 0.000 -2.326) 9.600 4.393 ( 9.314 0.000 2.326) 9.600 4.557 ( -5.172 0.000 -1.886) 5.505 4.557 ( -5.172 0.000 1.886) 5.505 5.106 ( -2.888 0.000 -1.813) 3.410 5.106 ( -2.888 0.000 1.813) 3.410 5.129 ( -3.853 0.000 -1.505) 4.136 5.129 ( -3.853 0.000 1.505) 4.136 5.734 ( 0.965 0.000 -20.959) 20.981 5.734 ( 0.965 0.000 20.959) 20.981 5.766 ( -2.307 0.000 -21.915) 22.036 5.766 ( -2.307 0.000 21.915) 22.036 6.615 ( 10.019 0.000 -5.567) 11.461 6.615 ( 10.019 0.000 5.567) 11.461 6.791 ( -7.922 0.000 -3.011) 8.475 6.791 ( -7.922 0.000 3.011) 8.475 7.513 ( 2.143 0.000 -4.359) 4.857 7.513 ( 2.143 0.000 4.359) 4.857 7.541 ( -0.646 0.000 -3.850) 3.904 7.541 ( -0.646 0.000 3.850) 3.904 8.344 ( 8.740 0.000 -8.176) 11.968 8.344 ( 8.740 0.000 8.176) 11.968 8.502 ( -7.746 0.000 -8.170) 11.258 8.502 ( -7.746 0.000 8.170) 11.258 8.891 ( 7.959 0.000 -11.313) 13.832 8.891 ( 7.959 0.000 11.313) 13.832 9.036 ( -7.187 0.000 -10.954) 13.102 9.036 ( -7.187 0.000 10.954) 13.102 10.797 ( 4.650 0.000 -3.393) 5.757 10.797 ( 4.650 0.000 3.393) 5.757 10.864 ( -1.213 0.000 -5.920) 6.043 10.864 ( -1.213 0.000 5.920) 6.043 11.083 ( 7.108 0.000 -1.170) 7.203 11.083 ( 7.108 0.000 1.170) 7.203 11.230 ( -6.332 0.000 -2.808) 6.926 11.230 ( -6.332 0.000 2.808) 6.926 11.836 ( 10.274 0.000 -9.942) 14.296 11.836 ( 10.274 0.000 9.942) 14.296 12.000 ( -5.941 0.000 -8.156) 10.090 12.000 ( -5.941 0.000 8.156) 10.090 13.323 ( 0.265 0.000 -10.052) 10.055 13.323 ( 0.265 0.000 10.052) 10.055 13.340 ( -1.311 0.000 -8.953) 9.049 13.340 ( -1.311 0.000 8.953) 9.049 13.777 ( 9.760 0.000 -6.957) 11.985 13.777 ( 9.760 0.000 6.957) 11.985 14.014 ( -13.571 0.000 -7.673) 15.590 14.014 ( -13.571 0.000 7.673) 15.590 14.499 ( 10.910 0.000 -12.985) 16.960 14.499 ( 10.910 0.000 12.985) 16.960 14.746 ( -13.763 0.000 -11.740) 18.090 14.746 ( -13.763 0.000 11.740) 18.090 15.944 ( 1.089 0.000 -1.519) 1.869 15.944 ( 1.089 0.000 1.519) 1.869 15.994 ( -4.141 0.000 -5.835) 7.155 15.994 ( -4.141 0.000 5.835) 7.155 ======================= Grid point 297 (97/108) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.000 7.051 -13.261) 15.019 2.235 ( 0.000 7.051 13.261) 15.019 2.434 ( 0.000 -0.558 -9.535) 9.551 2.434 ( 0.000 -0.558 9.535) 9.551 2.936 ( 0.000 -1.518 -6.556) 6.729 2.936 ( 0.000 -1.518 6.556) 6.729 2.960 ( 0.000 -3.408 -9.176) 9.789 2.960 ( 0.000 -3.408 9.176) 9.789 3.362 ( 0.000 6.011 -5.294) 8.010 3.362 ( 0.000 6.011 5.294) 8.010 3.742 ( 0.000 6.197 -3.701) 7.218 3.742 ( 0.000 6.197 3.701) 7.218 3.747 ( 0.000 -9.875 -13.483) 16.713 3.747 ( 0.000 -9.875 13.483) 16.713 4.040 ( 0.000 -4.261 -9.760) 10.649 4.040 ( 0.000 -4.261 9.760) 10.649 4.636 ( 0.000 3.802 -3.137) 4.929 4.636 ( 0.000 3.802 3.137) 4.929 4.809 ( 0.000 -2.339 -6.057) 6.493 4.809 ( 0.000 -2.339 6.057) 6.493 5.555 ( 0.000 6.029 -9.527) 11.275 5.555 ( 0.000 6.029 9.527) 11.275 5.683 ( 0.000 1.720 -18.199) 18.280 5.683 ( 0.000 1.720 18.199) 18.280 6.042 ( 0.000 -2.063 -10.968) 11.161 6.042 ( 0.000 -2.063 10.968) 11.161 6.179 ( 0.000 -8.348 -4.563) 9.513 6.179 ( 0.000 -8.348 4.563) 9.513 6.506 ( 0.000 1.512 -10.508) 10.616 6.506 ( 0.000 1.512 10.508) 10.616 6.633 ( 0.000 -3.521 -5.184) 6.267 6.633 ( 0.000 -3.521 5.184) 6.267 7.176 ( 0.000 5.210 -6.075) 8.003 7.176 ( 0.000 5.210 6.075) 8.003 7.333 ( 0.000 -1.240 -8.779) 8.866 7.333 ( 0.000 -1.240 8.779) 8.866 7.905 ( 0.000 5.499 -6.039) 8.167 7.905 ( 0.000 5.499 6.039) 8.167 8.177 ( 0.000 -4.885 -5.272) 7.188 8.177 ( 0.000 -4.885 5.272) 7.188 8.959 ( 0.000 3.462 -6.264) 7.156 8.959 ( 0.000 3.462 6.264) 7.156 9.145 ( 0.000 -3.610 -2.664) 4.487 9.145 ( 0.000 -3.610 2.664) 4.487 10.194 ( 0.000 3.913 -9.265) 10.058 10.194 ( 0.000 3.913 9.265) 10.058 10.364 ( 0.000 -2.412 -9.466) 9.769 10.364 ( 0.000 -2.412 9.466) 9.769 11.106 ( 0.000 3.110 -6.422) 7.135 11.106 ( 0.000 3.110 6.422) 7.135 11.261 ( 0.000 -2.092 -7.482) 7.769 11.261 ( 0.000 -2.092 7.482) 7.769 11.399 ( 0.000 2.987 -6.485) 7.140 11.399 ( 0.000 2.987 6.485) 7.140 11.601 ( 0.000 -3.962 -9.665) 10.446 11.601 ( 0.000 -3.962 9.665) 10.446 13.197 ( 0.000 0.601 -1.218) 1.358 13.197 ( 0.000 0.601 1.218) 1.358 13.248 ( 0.000 -1.297 -5.024) 5.189 13.248 ( 0.000 -1.297 5.024) 5.189 13.979 ( 0.000 1.251 -6.805) 6.919 13.979 ( 0.000 1.251 6.805) 6.919 14.045 ( 0.000 -1.214 -2.524) 2.801 14.045 ( 0.000 -1.214 2.524) 2.801 15.315 ( 0.000 2.026 -7.043) 7.328 15.315 ( 0.000 2.026 7.043) 7.328 15.407 ( 0.000 -1.370 -10.877) 10.963 15.407 ( 0.000 -1.370 10.877) 10.963 16.394 ( 0.000 2.201 -6.939) 7.280 16.394 ( 0.000 2.201 6.939) 7.280 16.524 ( 0.000 -2.566 -7.924) 8.329 16.524 ( 0.000 -2.566 7.924) 8.329 ======================= Grid point 299 (98/108) ======================= q-point: ( 0.09 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.273 6.614 -9.542) 11.613 2.225 ( 0.273 6.614 9.542) 11.613 2.538 ( 8.497 -1.174 -5.964) 10.447 2.538 ( 8.497 -1.174 5.964) 10.447 2.905 ( -2.391 -0.672 -5.706) 6.223 2.905 ( -2.391 -0.672 5.706) 6.223 2.992 ( 1.705 -3.135 -9.568) 10.212 2.992 ( 1.705 -3.135 9.568) 10.212 3.291 ( -4.698 3.612 -3.116) 6.696 3.291 ( -4.698 3.612 3.116) 6.696 3.630 ( -6.616 2.556 -6.033) 9.311 3.630 ( -6.616 2.556 6.033) 9.311 3.825 ( 1.520 -5.045 -8.452) 9.960 3.825 ( 1.520 -5.045 8.452) 9.960 4.007 ( -2.612 -2.700 -6.209) 7.257 4.007 ( -2.612 -2.700 6.209) 7.257 4.556 ( -3.954 1.405 -2.792) 5.040 4.556 ( -3.954 1.405 2.792) 5.040 4.946 ( 9.565 -0.573 -2.872) 10.003 4.946 ( 9.565 -0.573 2.872) 10.003 5.514 ( -4.368 5.735 -9.361) 11.815 5.514 ( -4.368 5.735 9.361) 11.815 5.677 ( -0.658 1.527 -17.457) 17.536 5.677 ( -0.658 1.527 17.457) 17.536 5.962 ( -7.509 -5.148 -9.870) 13.428 5.962 ( -7.509 -5.148 9.870) 13.428 6.096 ( -7.611 -2.305 -4.534) 9.154 6.096 ( -7.611 -2.305 4.534) 9.154 6.476 ( -1.256 1.872 -6.595) 6.970 6.476 ( -1.256 1.872 6.595) 6.970 6.727 ( 6.417 -5.420 -4.453) 9.507 6.727 ( 6.417 -5.420 4.453) 9.507 7.184 ( 0.926 1.789 -6.534) 6.838 7.184 ( 0.926 1.789 6.534) 6.838 7.355 ( 2.455 0.542 -4.518) 5.171 7.355 ( 2.455 0.542 4.518) 5.171 7.922 ( 2.111 6.385 -6.330) 9.235 7.922 ( 2.111 6.385 6.330) 9.235 8.233 ( 5.145 -5.456 -6.112) 9.675 8.233 ( 5.145 -5.456 6.112) 9.675 8.920 ( -2.978 3.379 -6.691) 8.066 8.920 ( -2.978 3.379 6.691) 8.066 9.201 ( 4.307 -2.770 -1.623) 5.372 9.201 ( 4.307 -2.770 1.623) 5.372 10.215 ( 2.540 3.586 -9.175) 10.174 10.215 ( 2.540 3.586 9.175) 10.174 10.405 ( 4.133 -2.458 -9.164) 10.349 10.405 ( 4.133 -2.458 9.164) 10.349 11.083 ( -0.818 2.496 -6.742) 7.236 11.083 ( -0.818 2.496 6.742) 7.236 11.275 ( 0.598 -0.764 -1.822) 2.064 11.275 ( 0.598 -0.764 1.822) 2.064 11.480 ( 6.848 0.688 -4.855) 8.422 11.480 ( 6.848 0.688 4.855) 8.422 11.592 ( -0.061 -2.190 -7.311) 7.632 11.592 ( -0.061 -2.190 7.311) 7.632 13.190 ( 0.351 -0.012 -5.307) 5.318 13.190 ( 0.351 -0.012 5.307) 5.318 13.304 ( 4.432 -0.800 -2.189) 5.008 13.304 ( 4.432 -0.800 2.189) 5.008 13.943 ( -3.003 1.028 -6.688) 7.403 13.943 ( -3.003 1.028 6.688) 7.403 14.016 ( -3.262 -1.086 -3.530) 4.928 14.016 ( -3.262 -1.086 3.530) 4.928 15.292 ( -2.964 1.069 -6.257) 7.005 15.292 ( -2.964 1.069 6.257) 7.005 15.356 ( -4.899 -0.023 -10.153) 11.273 15.356 ( -4.899 -0.023 10.153) 11.273 16.318 ( -6.949 0.396 -6.706) 9.665 16.318 ( -6.949 0.396 6.706) 9.665 16.499 ( -3.163 -1.034 -9.575) 10.136 16.499 ( -3.163 -1.034 9.575) 10.136 ======================= Grid point 301 (99/108) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 1.617 6.786 -6.141) 9.294 2.251 ( 1.617 6.786 6.141) 9.294 2.636 ( -2.260 -6.017 -6.554) 9.180 2.636 ( -2.260 -6.017 6.554) 9.180 2.870 ( 2.243 4.291 -8.142) 9.473 2.870 ( 2.243 4.291 8.142) 9.473 3.035 ( 3.908 -2.404 -5.454) 7.127 3.035 ( 3.908 -2.404 5.454) 7.127 3.279 ( 3.170 0.366 -1.691) 3.612 3.279 ( 3.170 0.366 1.691) 3.612 3.477 ( -8.972 1.973 -10.241) 13.757 3.477 ( -8.972 1.973 10.241) 13.757 3.792 ( -3.954 -3.882 -4.632) 7.222 3.792 ( -3.954 -3.882 4.632) 7.222 3.979 ( -0.031 -0.194 -2.415) 2.423 3.979 ( -0.031 -0.194 2.415) 2.423 4.523 ( 0.114 0.365 -0.885) 0.964 4.523 ( 0.114 0.365 0.885) 0.964 5.097 ( 4.931 -1.491 -2.834) 5.880 5.097 ( 4.931 -1.491 2.834) 5.880 5.380 ( -9.441 5.140 -9.991) 14.676 5.380 ( -9.441 5.140 9.991) 14.676 5.658 ( -1.860 -0.427 -14.441) 14.566 5.658 ( -1.860 -0.427 14.441) 14.566 5.776 ( -10.747 -2.919 -4.711) 12.092 5.776 ( -10.747 -2.919 4.711) 12.092 5.966 ( -4.855 -0.192 -14.884) 15.657 5.966 ( -4.855 -0.192 14.884) 15.657 6.446 ( -2.096 5.502 -2.985) 6.601 6.446 ( -2.096 5.502 2.985) 6.601 6.825 ( 3.443 -8.021 -1.675) 8.888 6.825 ( 3.443 -8.021 1.675) 8.888 7.225 ( 3.583 -2.634 -5.501) 7.074 7.225 ( 3.583 -2.634 5.501) 7.074 7.422 ( 4.059 1.568 -1.736) 4.685 7.422 ( 4.059 1.568 1.736) 4.685 7.992 ( 5.083 7.632 -7.055) 11.569 7.992 ( 5.083 7.632 7.055) 11.569 8.349 ( 6.667 -6.580 -8.060) 12.358 8.349 ( 6.667 -6.580 8.060) 12.358 8.864 ( -2.821 3.820 -7.506) 8.882 8.864 ( -2.821 3.820 7.507) 8.882 9.262 ( 1.366 -1.643 -2.569) 3.342 9.262 ( 1.366 -1.643 2.569) 3.342 10.305 ( 7.091 2.887 -9.170) 11.946 10.305 ( 7.091 2.887 9.170) 11.946 10.513 ( 6.833 -2.004 -8.438) 11.041 10.513 ( 6.833 -2.004 8.438) 11.041 11.097 ( 1.814 1.196 -5.505) 5.918 11.097 ( 1.814 1.196 5.505) 5.918 11.284 ( 0.388 -0.310 -4.327) 4.355 11.284 ( 0.388 -0.310 4.327) 4.355 11.528 ( -0.432 1.342 -9.492) 9.597 11.528 ( -0.432 1.342 9.492) 9.597 11.700 ( 9.717 -2.004 -1.465) 10.029 11.700 ( 9.717 -2.004 1.465) 10.029 13.220 ( 2.620 -0.279 -8.926) 9.307 13.220 ( 2.620 -0.279 8.926) 9.307 13.375 ( 1.968 -0.819 -4.792) 5.245 13.375 ( 1.968 -0.819 4.792) 5.245 13.897 ( -2.534 0.183 -3.933) 4.682 13.897 ( -2.534 0.183 3.933) 4.682 13.926 ( -3.952 -0.407 -2.965) 4.957 13.926 ( -3.952 -0.407 2.965) 4.957 15.149 ( -12.012 2.882 -5.087) 13.359 15.149 ( -12.012 2.882 5.087) 13.359 15.265 ( -4.808 -1.347 -8.487) 9.847 15.265 ( -4.808 -1.347 8.487) 9.847 16.168 ( -7.884 -0.762 -6.927) 10.522 16.168 ( -7.884 -0.762 6.927) 10.522 16.398 ( -7.163 -0.002 -11.501) 13.550 16.398 ( -7.163 -0.002 11.501) 13.550 ======================= Grid point 303 (100/108) ======================= q-point: ( 0.27 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -3.656 5.046 -9.201) 11.113 2.239 ( -3.656 5.046 9.201) 11.113 2.544 ( -2.996 -5.362 -8.072) 10.144 2.544 ( -2.996 -5.362 8.072) 10.144 2.932 ( -0.018 4.376 -5.691) 7.179 2.932 ( -0.018 4.376 5.691) 7.179 3.138 ( 4.153 -3.663 -4.885) 7.384 3.138 ( 4.153 -3.663 4.885) 7.384 3.306 ( -0.415 2.339 -6.490) 6.911 3.306 ( -0.415 2.339 6.490) 6.911 3.394 ( 3.228 -1.291 -1.851) 3.939 3.394 ( 3.228 -1.291 1.851) 3.939 3.714 ( -3.589 -1.186 -3.856) 5.400 3.714 ( -3.589 -1.186 3.856) 5.400 4.022 ( 5.264 1.377 -4.223) 6.888 4.022 ( 5.264 1.377 4.223) 6.888 4.545 ( 1.897 0.094 -1.504) 2.423 4.545 ( 1.897 0.094 1.504) 2.423 5.030 ( -13.589 -1.640 -5.109) 14.610 5.030 ( -13.589 -1.640 5.109) 14.610 5.249 ( -2.184 2.693 -6.730) 7.570 5.249 ( -2.184 2.693 6.730) 7.570 5.494 ( -12.886 -1.396 -2.023) 13.118 5.494 ( -12.886 -1.396 2.023) 13.118 5.700 ( 0.769 0.035 -15.180) 15.199 5.700 ( 0.769 0.035 15.180) 15.199 5.898 ( -2.893 0.073 -17.409) 17.648 5.898 ( -2.893 0.073 17.409) 17.648 6.418 ( 0.055 6.921 -3.132) 7.597 6.418 ( 0.055 6.921 3.132) 7.597 6.857 ( 0.022 -8.467 -0.379) 8.476 6.857 ( 0.022 -8.467 0.379) 8.476 7.312 ( 5.167 -3.807 -6.955) 9.464 7.312 ( 5.167 -3.807 6.955) 9.464 7.494 ( 3.167 0.548 -5.661) 6.510 7.494 ( 3.167 0.548 5.661) 6.510 8.105 ( 6.543 7.274 -7.631) 12.407 8.105 ( 6.543 7.274 7.631) 12.407 8.474 ( 5.884 -7.462 -9.406) 13.371 8.474 ( 5.884 -7.462 9.406) 13.371 8.815 ( -2.061 4.588 -8.245) 9.658 8.815 ( -2.061 4.588 8.245) 9.658 9.246 ( -2.812 -0.623 -6.330) 6.954 9.246 ( -2.812 -0.623 6.330) 6.954 10.481 ( 10.831 1.868 -8.857) 14.115 10.481 ( 10.831 1.868 8.857) 14.115 10.655 ( 7.741 -0.368 -7.872) 11.047 10.655 ( 7.741 -0.368 7.872) 11.047 11.119 ( -0.241 0.915 -4.904) 4.995 11.119 ( -0.241 0.915 4.904) 4.995 11.280 ( -0.944 -2.094 -6.174) 6.587 11.280 ( -0.944 -2.094 6.174) 6.587 11.564 ( 5.023 5.214 -7.120) 10.155 11.564 ( 5.023 5.214 7.120) 10.155 11.877 ( 7.982 -4.427 -2.320) 9.418 11.877 ( 7.982 -4.427 2.320) 9.418 13.284 ( 3.838 -0.328 -11.673) 12.292 13.284 ( 3.838 -0.328 11.673) 12.292 13.363 ( -2.584 -1.258 -9.993) 10.398 13.363 ( -2.584 -1.258 9.993) 10.398 13.771 ( -7.264 -0.543 -8.249) 11.005 13.771 ( -7.264 -0.543 8.249) 11.005 13.982 ( 6.716 0.274 -6.081) 9.064 13.982 ( 6.716 0.274 6.081) 9.064 14.866 ( -16.807 5.062 -3.935) 17.989 14.866 ( -16.807 5.062 3.936) 17.989 15.144 ( -8.185 -3.605 -9.100) 12.759 15.144 ( -8.185 -3.605 9.100) 12.759 16.038 ( -5.471 -0.107 -5.510) 7.766 16.038 ( -5.471 -0.107 5.510) 7.766 16.244 ( -8.349 0.002 -11.885) 14.524 16.244 ( -8.349 0.002 11.885) 14.524 ======================= Grid point 305 (101/108) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -2.164 0.982 -8.611) 8.932 2.163 ( -2.164 0.982 8.611) 8.933 2.509 ( -3.711 -6.418 -9.140) 11.769 2.509 ( -3.711 -6.418 9.140) 11.769 2.860 ( -3.613 6.081 -4.083) 8.167 2.860 ( -3.613 6.081 4.083) 8.167 3.126 ( -3.540 -1.063 -5.619) 6.726 3.126 ( -3.540 -1.063 5.619) 6.726 3.378 ( 3.963 1.173 -0.554) 4.170 3.378 ( 3.963 1.173 0.554) 4.170 3.513 ( 6.620 -1.489 -3.382) 7.581 3.513 ( 6.620 -1.489 3.382) 7.581 3.692 ( 4.236 0.696 -4.949) 6.552 3.692 ( 4.236 0.696 4.949) 6.552 4.179 ( 10.224 1.318 -4.553) 11.269 4.179 ( 10.224 1.318 4.553) 11.269 4.583 ( 1.171 0.427 -2.448) 2.747 4.583 ( 1.171 0.427 2.448) 2.747 4.704 ( -18.098 -0.242 -6.557) 19.251 4.704 ( -18.098 -0.242 6.557) 19.251 5.204 ( -3.474 0.471 -3.776) 5.152 5.204 ( -3.474 0.471 3.776) 5.152 5.256 ( -11.076 0.000 -1.962) 11.248 5.256 ( -11.076 0.000 1.962) 11.248 5.720 ( 1.033 -0.207 -16.170) 16.204 5.720 ( 1.033 -0.207 16.170) 16.204 5.842 ( -3.038 1.350 -19.529) 19.810 5.842 ( -3.038 1.350 19.529) 19.810 6.469 ( 5.266 3.813 -4.556) 7.939 6.469 ( 5.266 3.813 4.556) 7.939 6.826 ( -3.310 -7.320 -1.682) 8.208 6.826 ( -3.310 -7.320 1.682) 8.208 7.408 ( 4.627 -3.020 -8.416) 10.068 7.408 ( 4.627 -3.020 8.416) 10.068 7.534 ( 0.933 -0.362 -7.881) 7.944 7.534 ( 0.933 -0.362 7.881) 7.944 8.235 ( 6.946 5.034 -7.930) 11.683 8.235 ( 6.946 5.034 7.930) 11.683 8.540 ( -0.010 -6.153 -8.497) 10.491 8.540 ( -0.010 -6.153 8.497) 10.491 8.815 ( 2.975 4.321 -9.487) 10.841 8.815 ( 2.975 4.321 9.487) 10.841 9.165 ( -5.375 0.168 -9.151) 10.614 9.165 ( -5.375 0.168 9.151) 10.614 10.687 ( 9.657 1.102 -7.612) 12.346 10.687 ( 9.657 1.102 7.612) 12.346 10.803 ( 7.804 1.442 -8.458) 11.598 10.803 ( 7.804 1.442 8.458) 11.598 11.081 ( -3.108 2.066 -4.689) 5.993 11.081 ( -3.108 2.066 4.689) 5.993 11.258 ( -1.545 -3.567 -2.003) 4.373 11.258 ( -1.545 -3.567 2.003) 4.373 11.699 ( 8.205 5.000 -7.969) 12.483 11.699 ( 8.205 5.000 7.969) 12.483 11.983 ( 2.664 -4.854 -4.125) 6.905 11.983 ( 2.664 -4.854 4.125) 6.905 13.314 ( -1.765 -1.644 -10.672) 10.941 13.314 ( -1.765 -1.644 10.672) 10.941 13.343 ( 1.318 -0.340 -11.358) 11.439 13.343 ( 1.318 -0.340 11.358) 11.439 13.683 ( -0.213 0.063 -5.712) 5.716 13.683 ( -0.213 0.063 5.712) 5.716 14.119 ( 5.178 -0.518 -5.021) 7.231 14.119 ( 5.178 -0.518 5.021) 7.231 14.552 ( -13.540 5.268 -4.129) 15.104 14.552 ( -13.540 5.268 4.129) 15.104 14.953 ( -11.475 -3.712 -10.727) 16.141 14.953 ( -11.475 -3.712 10.727) 16.141 15.964 ( -2.273 0.591 -2.073) 3.133 15.964 ( -2.273 0.591 2.073) 3.133 16.097 ( -6.741 -0.202 -10.188) 12.218 16.097 ( -6.741 -0.202 10.188) 12.218 ======================= Grid point 307 (102/108) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 5.675 -2.379 -3.080) 6.881 2.196 ( 5.675 -2.379 3.080) 6.881 2.358 ( -10.128 -5.491 -9.453) 14.903 2.358 ( -10.128 -5.491 9.453) 14.903 2.888 ( 5.553 5.182 -4.390) 8.773 2.888 ( 5.553 5.182 4.390) 8.773 3.019 ( -7.068 2.416 -6.704) 10.036 3.019 ( -7.068 2.416 6.704) 10.036 3.455 ( 4.142 0.234 -2.479) 4.833 3.455 ( 4.142 0.234 2.479) 4.833 3.525 ( -2.791 -0.234 -3.771) 4.697 3.525 ( -2.791 -0.234 3.771) 4.697 3.933 ( 17.211 -0.468 -5.233) 17.995 3.933 ( 17.211 -0.468 5.233) 17.995 4.261 ( -12.817 -2.455 -5.730) 14.253 4.261 ( -12.817 -2.455 5.730) 14.253 4.457 ( 4.125 3.778 -4.898) 7.435 4.457 ( 4.125 3.778 4.898) 7.435 4.580 ( -3.987 1.605 -1.474) 4.544 4.580 ( -3.987 1.605 1.474) 4.544 5.107 ( -3.161 0.038 -0.952) 3.302 5.107 ( -3.161 0.038 0.952) 3.302 5.128 ( -3.974 -0.087 -1.377) 4.207 5.128 ( -3.974 -0.087 1.377) 4.207 5.744 ( 1.681 0.784 -19.193) 19.283 5.744 ( 1.681 0.784 19.193) 19.283 5.786 ( -2.661 1.539 -20.781) 21.007 5.786 ( -2.661 1.539 20.781) 21.007 6.598 ( 7.480 -0.916 -4.771) 8.919 6.598 ( 7.480 -0.916 4.772) 8.919 6.733 ( -6.242 -4.821 -3.572) 8.658 6.733 ( -6.242 -4.821 3.572) 8.658 7.484 ( 3.252 -1.825 -9.041) 9.780 7.484 ( 3.252 -1.825 9.041) 9.780 7.529 ( -1.386 -0.955 -8.893) 9.051 7.529 ( -1.386 -0.955 8.893) 9.051 8.367 ( 6.642 1.870 -8.011) 10.573 8.367 ( 6.642 1.870 8.011) 10.573 8.482 ( -5.118 -1.728 -7.948) 9.610 8.482 ( -5.118 -1.728 7.948) 9.610 8.917 ( 6.726 1.915 -10.914) 12.962 8.917 ( 6.726 1.915 10.914) 12.962 9.049 ( -6.694 0.852 -10.708) 12.657 9.049 ( -6.694 0.852 10.708) 12.657 10.829 ( 5.495 2.605 -5.571) 8.247 10.829 ( 5.495 2.605 5.571) 8.247 10.900 ( -0.531 2.545 -7.606) 8.039 10.900 ( -0.531 2.545 7.606) 8.039 11.076 ( 5.047 -0.094 -4.759) 6.938 11.076 ( 5.047 -0.094 4.759) 6.938 11.196 ( -5.290 -3.050 -3.063) 6.832 11.196 ( -5.290 -3.050 3.063) 6.832 11.855 ( 7.659 1.721 -8.673) 11.698 11.855 ( 7.659 1.721 8.673) 11.698 11.971 ( -3.809 -2.490 -7.195) 8.513 11.971 ( -3.809 -2.490 7.195) 8.513 13.304 ( 0.651 -1.435 -9.216) 9.350 13.304 ( 0.651 -1.435 9.216) 9.350 13.330 ( -1.730 -0.616 -8.674) 8.866 13.330 ( -1.730 -0.616 8.674) 8.866 13.789 ( 10.416 0.871 -6.467) 12.291 13.789 ( 10.416 0.871 6.467) 12.291 14.031 ( -12.898 1.169 -6.853) 14.652 14.031 ( -12.898 1.169 6.853) 14.652 14.510 ( 8.153 1.034 -13.407) 15.726 14.510 ( 8.153 1.034 13.407) 15.726 14.721 ( -12.343 -2.031 -12.505) 17.687 14.721 ( -12.343 -2.031 12.505) 17.687 15.950 ( 0.805 0.443 -2.335) 2.509 15.950 ( 0.805 0.443 2.335) 2.509 15.994 ( -3.877 -0.011 -6.705) 7.745 15.994 ( -3.877 -0.011 6.705) 7.745 ======================= Grid point 319 (103/108) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 0.000 -4.506 -10.464) 11.393 2.380 ( 0.000 4.506 -10.464) 11.393 2.380 ( 0.000 -4.506 10.464) 11.393 2.380 ( 0.000 4.506 10.464) 11.393 2.915 ( 0.000 -0.120 -8.697) 8.698 2.915 ( 0.000 0.120 -8.697) 8.698 2.915 ( 0.000 -0.120 8.697) 8.698 2.915 ( 0.000 0.120 8.697) 8.698 3.528 ( 0.000 -8.604 -9.588) 12.883 3.528 ( 0.000 8.604 -9.588) 12.883 3.528 ( 0.000 -8.604 9.588) 12.883 3.528 ( 0.000 8.604 9.588) 12.883 3.903 ( 0.000 -7.711 -6.926) 10.365 3.903 ( 0.000 7.711 -6.926) 10.365 3.903 ( 0.000 -7.711 6.926) 10.365 3.903 ( 0.000 7.711 6.926) 10.365 4.732 ( 0.000 -3.041 -5.663) 6.428 4.732 ( 0.000 3.041 -5.663) 6.428 4.732 ( 0.000 -3.041 5.663) 6.428 4.732 ( 0.000 3.041 5.663) 6.428 5.680 ( 0.000 -3.387 -15.862) 16.219 5.680 ( 0.000 3.387 -15.862) 16.219 5.680 ( 0.000 -3.387 15.862) 16.219 5.680 ( 0.000 3.387 15.862) 16.219 6.033 ( 0.000 -2.157 -4.822) 5.282 6.033 ( 0.000 2.157 -4.822) 5.282 6.033 ( 0.000 -2.157 4.822) 5.282 6.033 ( 0.000 2.157 4.822) 5.282 6.556 ( 0.000 -2.497 -7.685) 8.080 6.556 ( 0.000 2.497 -7.685) 8.080 6.556 ( 0.000 -2.497 7.685) 8.080 6.556 ( 0.000 2.497 7.685) 8.080 7.280 ( 0.000 -3.415 -8.489) 9.150 7.280 ( 0.000 3.415 -8.489) 9.150 7.280 ( 0.000 -3.415 8.489) 9.150 7.280 ( 0.000 3.415 8.489) 9.150 8.045 ( 0.000 -6.937 -6.311) 9.378 8.045 ( 0.000 6.937 -6.311) 9.378 8.045 ( 0.000 -6.937 6.311) 9.378 8.045 ( 0.000 6.937 6.311) 9.378 9.051 ( 0.000 -4.219 -3.807) 5.682 9.051 ( 0.000 4.219 -3.807) 5.682 9.051 ( 0.000 -4.219 3.807) 5.682 9.051 ( 0.000 4.219 3.807) 5.682 10.289 ( 0.000 -4.308 -9.540) 10.467 10.289 ( 0.000 4.308 -9.540) 10.467 10.289 ( 0.000 -4.308 9.540) 10.467 10.289 ( 0.000 4.308 9.540) 10.467 11.189 ( 0.000 -3.705 -7.706) 8.551 11.189 ( 0.000 3.705 -7.706) 8.551 11.189 ( 0.000 -3.705 7.706) 8.551 11.189 ( 0.000 3.705 7.706) 8.551 11.495 ( 0.000 -5.340 -8.832) 10.320 11.495 ( 0.000 5.340 -8.832) 10.320 11.495 ( 0.000 -5.340 8.832) 10.320 11.495 ( 0.000 5.340 8.832) 10.320 13.218 ( 0.000 -0.881 -2.954) 3.083 13.218 ( 0.000 0.881 -2.954) 3.083 13.218 ( 0.000 -0.881 2.954) 3.083 13.218 ( 0.000 0.881 2.954) 3.083 14.012 ( 0.000 -1.624 -4.803) 5.070 14.012 ( 0.000 1.624 -4.803) 5.070 14.012 ( 0.000 -1.624 4.803) 5.070 14.012 ( 0.000 1.624 4.803) 5.070 15.365 ( 0.000 -2.290 -9.041) 9.327 15.365 ( 0.000 2.290 -9.041) 9.327 15.365 ( 0.000 -2.290 9.041) 9.327 15.365 ( 0.000 2.290 9.041) 9.327 16.457 ( 0.000 -2.804 -7.376) 7.891 16.457 ( 0.000 2.804 -7.376) 7.891 16.457 ( 0.000 -2.804 7.376) 7.891 16.457 ( 0.000 2.804 7.376) 7.891 ======================= Grid point 323 (104/108) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.286 -0.000 -10.471) 10.475 2.331 ( 0.286 0.000 10.471) 10.475 2.506 ( 6.222 -0.000 -7.424) 9.687 2.506 ( 6.222 0.000 7.424) 9.687 2.905 ( 0.917 -0.000 -6.972) 7.032 2.905 ( 0.917 0.000 6.972) 7.032 2.944 ( 1.030 0.000 -13.598) 13.637 2.944 ( 1.030 0.000 13.598) 13.637 3.345 ( -8.089 0.000 -5.790) 9.948 3.345 ( -8.089 0.000 5.790) 9.948 3.626 ( -0.619 -0.000 -7.914) 7.938 3.626 ( -0.619 -0.000 7.914) 7.938 3.809 ( -4.823 0.000 -6.854) 8.381 3.809 ( -4.823 0.000 6.854) 8.381 3.948 ( 1.303 0.000 -3.068) 3.333 3.948 ( 1.303 -0.000 3.068) 3.333 4.575 ( -5.333 0.000 -5.611) 7.741 4.575 ( -5.333 0.000 5.611) 7.741 4.937 ( 10.045 0.000 -3.016) 10.488 4.937 ( 10.045 0.000 3.016) 10.488 5.611 ( -5.247 0.000 -13.356) 14.350 5.611 ( -5.247 -0.000 13.356) 14.350 5.703 ( -0.246 0.000 -16.764) 16.766 5.703 ( -0.246 0.000 16.764) 16.766 5.870 ( -9.368 0.000 -8.777) 12.837 5.870 ( -9.368 0.000 8.777) 12.837 6.064 ( -3.426 0.000 -6.225) 7.106 6.064 ( -3.426 0.000 6.225) 7.106 6.510 ( 1.235 0.000 -6.167) 6.290 6.510 ( 1.235 -0.000 6.167) 6.290 6.647 ( 3.316 0.000 -5.810) 6.690 6.647 ( 3.316 0.000 5.810) 6.690 7.208 ( -2.722 0.000 -9.217) 9.611 7.208 ( -2.722 0.000 9.217) 9.611 7.361 ( 4.104 0.000 -3.432) 5.350 7.361 ( 4.104 -0.000 3.432) 5.350 8.065 ( 3.616 -0.000 -7.766) 8.567 8.065 ( 3.616 0.000 7.766) 8.567 8.102 ( 3.966 0.000 -6.040) 7.225 8.102 ( 3.966 -0.000 6.040) 7.225 8.973 ( -3.313 0.000 -5.635) 6.537 8.973 ( -3.313 0.000 5.635) 6.537 9.156 ( 5.558 0.000 -2.156) 5.961 9.156 ( 5.558 0.000 2.156) 5.961 10.280 ( 1.346 0.000 -10.137) 10.226 10.280 ( 1.346 0.000 10.137) 10.226 10.355 ( 4.972 0.000 -8.479) 9.829 10.355 ( 4.972 0.000 8.479) 9.829 11.121 ( -2.159 0.000 -10.110) 10.338 11.121 ( -2.159 0.000 10.110) 10.338 11.259 ( 2.527 0.000 -0.586) 2.594 11.259 ( 2.527 0.000 0.586) 2.594 11.501 ( 1.523 0.000 -9.848) 9.965 11.501 ( 1.523 0.000 9.848) 9.965 11.552 ( 4.820 0.000 -4.418) 6.539 11.552 ( 4.820 0.000 4.418) 6.539 13.191 ( 0.018 0.000 -6.390) 6.390 13.191 ( 0.018 0.000 6.390) 6.390 13.293 ( 4.613 0.000 -1.481) 4.845 13.293 ( 4.613 0.000 1.481) 4.845 13.963 ( -3.389 0.000 -5.680) 6.615 13.963 ( -3.389 -0.000 5.680) 6.615 13.996 ( -2.995 -0.000 -5.082) 5.899 13.996 ( -2.995 0.000 5.082) 5.899 15.308 ( -4.222 0.000 -6.956) 8.137 15.308 ( -4.222 0.000 6.956) 8.137 15.355 ( -3.177 0.000 -9.865) 10.364 15.355 ( -3.177 -0.000 9.865) 10.364 16.324 ( -8.652 -0.000 -6.105) 10.589 16.324 ( -8.652 -0.000 6.105) 10.589 16.484 ( -1.756 0.000 -10.082) 10.234 16.484 ( -1.756 0.000 10.082) 10.234 ======================= Grid point 327 (105/108) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 3.439 -0.000 -8.988) 9.623 2.374 ( 3.439 0.000 8.988) 9.623 2.526 ( -5.777 0.000 -7.593) 9.541 2.526 ( -5.777 -0.000 7.593) 9.541 2.962 ( 5.024 0.000 -6.912) 8.545 2.962 ( 5.024 -0.000 6.912) 8.545 2.969 ( 3.102 0.000 -8.388) 8.943 2.969 ( 3.102 0.000 8.388) 8.943 3.286 ( 1.755 0.000 -2.307) 2.899 3.286 ( 1.755 0.000 2.307) 2.899 3.493 ( -10.509 0.000 -10.950) 15.177 3.493 ( -10.509 0.000 10.950) 15.177 3.751 ( -2.403 0.000 -5.582) 6.078 3.751 ( -2.403 0.000 5.582) 6.078 3.971 ( 1.696 0.000 -3.202) 3.623 3.971 ( 1.696 0.000 3.202) 3.623 4.527 ( -0.269 0.000 -2.646) 2.660 4.527 ( -0.269 0.000 2.646) 2.660 5.079 ( 3.741 0.000 -0.555) 3.782 5.079 ( 3.741 0.000 0.555) 3.782 5.457 ( -10.726 0.000 -12.088) 16.161 5.457 ( -10.726 -0.000 12.088) 16.161 5.649 ( -6.114 0.000 -12.248) 13.689 5.649 ( -6.114 0.000 12.248) 13.689 5.731 ( -4.235 0.000 -13.795) 14.430 5.731 ( -4.235 0.000 13.795) 14.430 5.962 ( -5.031 0.000 -14.815) 15.646 5.962 ( -5.031 0.000 14.815) 15.646 6.575 ( 4.267 0.000 -5.151) 6.689 6.575 ( 4.267 -0.000 5.151) 6.689 6.660 ( -1.797 0.000 -0.788) 1.962 6.660 ( -1.797 0.000 0.788) 1.962 7.200 ( 2.063 0.000 -6.673) 6.985 7.200 ( 2.063 0.000 6.673) 6.985 7.435 ( 3.623 -0.000 -2.153) 4.215 7.435 ( 3.623 0.000 2.153) 4.215 8.175 ( 7.407 0.000 -8.996) 11.653 8.175 ( 7.407 0.000 8.996) 11.653 8.181 ( 4.110 0.000 -7.232) 8.318 8.181 ( 4.110 -0.000 7.232) 8.318 8.917 ( -2.691 0.000 -7.232) 7.717 8.917 ( -2.691 0.000 7.232) 7.717 9.237 ( 2.282 0.000 -2.902) 3.691 9.237 ( 2.282 0.000 2.902) 3.691 10.351 ( 6.143 0.000 -10.437) 12.110 10.351 ( 6.143 -0.000 10.437) 12.110 10.479 ( 7.918 0.000 -7.404) 10.841 10.479 ( 7.918 0.000 7.404) 10.841 11.113 ( 0.949 0.000 -8.001) 8.057 11.113 ( 0.949 0.000 8.001) 8.057 11.279 ( -0.353 0.000 -6.290) 6.300 11.279 ( -0.353 0.000 6.290) 6.300 11.552 ( 3.950 0.000 -10.836) 11.534 11.552 ( 3.950 0.000 10.836) 11.534 11.667 ( 6.718 0.000 -1.916) 6.986 11.667 ( 6.718 0.000 1.916) 6.986 13.216 ( 2.524 0.000 -9.255) 9.593 13.216 ( 2.524 0.000 9.255) 9.593 13.364 ( 1.789 0.000 -4.809) 5.131 13.364 ( 1.789 0.000 4.809) 5.131 13.902 ( -6.575 0.000 -7.856) 10.244 13.902 ( -6.575 0.000 7.856) 10.244 13.919 ( 0.025 -0.000 -3.356) 3.356 13.919 ( 0.025 0.000 3.356) 3.356 15.208 ( -6.151 0.000 -6.139) 8.691 15.208 ( -6.151 -0.000 6.139) 8.691 15.226 ( -10.567 -0.000 -8.752) 13.721 15.226 ( -10.567 0.000 8.752) 13.721 16.158 ( -7.930 0.000 -6.705) 10.385 16.158 ( -7.930 -0.000 6.705) 10.385 16.398 ( -6.883 0.000 -12.056) 13.883 16.398 ( -6.883 0.000 12.056) 13.883 ======================= Grid point 331 (106/108) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -10.689 0.000 -15.527) 18.850 2.344 ( -10.689 0.000 15.527) 18.850 2.433 ( 2.008 0.000 -7.914) 8.164 2.433 ( 2.008 -0.000 7.914) 8.164 3.037 ( -1.020 -0.000 -8.731) 8.791 3.037 ( -1.020 -0.000 8.731) 8.791 3.053 ( 4.420 -0.000 -4.811) 6.533 3.053 ( 4.420 0.000 4.811) 6.533 3.348 ( 3.173 0.000 -2.078) 3.793 3.348 ( 3.173 0.000 2.078) 3.793 3.355 ( 0.539 -0.000 -5.885) 5.910 3.355 ( 0.539 -0.000 5.885) 5.910 3.702 ( -2.240 0.000 -4.382) 4.922 3.702 ( -2.240 0.000 4.382) 4.922 4.040 ( 6.067 0.000 -4.847) 7.766 4.040 ( 6.067 0.000 4.847) 7.766 4.545 ( 1.907 0.000 -2.327) 3.008 4.545 ( 1.907 -0.000 2.327) 3.008 5.009 ( -12.281 0.000 -5.623) 13.507 5.009 ( -12.281 0.000 5.623) 13.507 5.286 ( -5.037 0.000 -6.444) 8.179 5.286 ( -5.037 -0.000 6.444) 8.179 5.474 ( -11.261 0.000 -3.996) 11.949 5.474 ( -11.261 0.000 3.996) 11.949 5.699 ( 0.176 0.000 -13.005) 13.006 5.699 ( 0.176 0.000 13.005) 13.006 5.899 ( -2.180 0.000 -20.035) 20.153 5.899 ( -2.180 0.000 20.035) 20.153 6.607 ( -2.827 0.000 -3.411) 4.430 6.607 ( -2.827 -0.000 3.411) 4.430 6.644 ( 2.634 0.000 -4.351) 5.086 6.644 ( 2.634 0.000 4.351) 5.086 7.273 ( 5.049 0.000 -9.842) 11.062 7.273 ( 5.049 0.000 9.842) 11.062 7.495 ( 2.527 -0.000 -6.071) 6.576 7.495 ( 2.527 0.000 6.071) 6.576 8.257 ( 3.833 0.000 -8.255) 9.101 8.257 ( 3.833 0.000 8.255) 9.101 8.324 ( 7.573 -0.000 -9.185) 11.905 8.324 ( 7.573 0.000 9.185) 11.905 8.872 ( -1.759 0.000 -8.235) 8.421 8.872 ( -1.759 0.000 8.235) 8.421 9.236 ( -2.138 0.000 -6.248) 6.604 9.236 ( -2.138 0.000 6.248) 6.604 10.507 ( 9.760 0.000 -9.872) 13.882 10.507 ( 9.760 0.000 9.872) 13.882 10.649 ( 9.458 0.000 -7.511) 12.077 10.649 ( 9.458 0.000 7.511) 12.077 11.135 ( 0.753 0.000 -7.038) 7.078 11.135 ( 0.753 0.000 7.038) 7.078 11.250 ( -2.538 0.000 -8.631) 8.996 11.250 ( -2.538 0.000 8.631) 8.996 11.658 ( 7.077 0.000 -11.174) 13.226 11.658 ( 7.077 -0.000 11.174) 13.226 11.792 ( 5.942 0.000 -4.129) 7.236 11.792 ( 5.942 0.000 4.129) 7.236 13.280 ( 3.879 0.000 -11.583) 12.215 13.280 ( 3.879 0.000 11.583) 12.215 13.346 ( -3.006 0.000 -9.804) 10.255 13.346 ( -3.006 0.000 9.804) 10.255 13.765 ( -6.934 0.000 -9.674) 11.903 13.765 ( -6.934 0.000 9.674) 11.903 13.985 ( 6.353 0.000 -6.384) 9.006 13.985 ( 6.353 0.000 6.384) 9.006 14.958 ( -16.745 0.000 -6.196) 17.855 14.958 ( -16.745 -0.000 6.196) 17.855 15.071 ( -8.327 0.000 -8.619) 11.985 15.071 ( -8.327 0.000 8.619) 11.985 16.036 ( -4.755 0.000 -5.221) 7.061 16.036 ( -4.755 -0.000 5.221) 7.061 16.244 ( -8.527 0.000 -12.545) 15.169 16.244 ( -8.527 0.000 12.545) 15.169 ======================= Grid point 335 (107/108) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -5.075 0.000 -11.125) 12.228 2.184 ( -5.075 0.000 11.125) 12.228 2.421 ( -4.120 0.000 -11.068) 11.810 2.421 ( -4.120 0.000 11.068) 11.810 2.948 ( -3.708 -0.000 -4.547) 5.867 2.948 ( -3.708 0.000 4.547) 5.867 3.101 ( -0.127 0.000 -7.233) 7.234 3.101 ( -0.127 0.000 7.233) 7.234 3.395 ( 2.470 0.000 -2.085) 3.232 3.395 ( 2.470 0.000 2.085) 3.232 3.490 ( 7.474 0.000 -4.327) 8.636 3.490 ( 7.474 0.000 4.327) 8.636 3.702 ( 4.615 0.000 -6.680) 8.119 3.702 ( 4.615 -0.000 6.680) 8.119 4.197 ( 9.291 0.000 -4.533) 10.338 4.197 ( 9.291 0.000 4.533) 10.338 4.590 ( 2.322 0.000 -3.610) 4.293 4.590 ( 2.322 -0.000 3.610) 4.293 4.699 ( -17.556 0.000 -7.187) 18.970 4.699 ( -17.556 0.000 7.187) 18.970 5.212 ( -4.076 0.000 -1.927) 4.509 5.212 ( -4.076 -0.000 1.927) 4.509 5.255 ( -10.712 0.000 -0.482) 10.723 5.255 ( -10.712 0.000 0.482) 10.723 5.718 ( 1.529 0.000 -14.660) 14.740 5.718 ( 1.529 0.000 14.660) 14.740 5.858 ( -2.328 0.000 -21.776) 21.900 5.858 ( -2.328 0.000 21.776) 21.900 6.577 ( -0.013 0.000 -3.525) 3.525 6.577 ( -0.013 -0.000 3.525) 3.525 6.669 ( -0.016 0.000 -4.095) 4.095 6.669 ( -0.016 0.000 4.095) 4.095 7.374 ( 5.172 0.000 -11.863) 12.941 7.374 ( 5.172 0.000 11.863) 12.942 7.526 ( 0.624 -0.000 -9.061) 9.082 7.526 ( 0.624 0.000 9.061) 9.082 8.330 ( 3.778 0.000 -8.579) 9.374 8.330 ( 3.778 0.000 8.579) 9.374 8.436 ( 3.457 0.000 -8.062) 8.772 8.436 ( 3.457 0.000 8.062) 8.772 8.867 ( 1.806 0.000 -9.218) 9.393 8.867 ( 1.806 0.000 9.218) 9.393 9.167 ( -4.859 0.000 -8.943) 10.178 9.167 ( -4.859 0.000 8.943) 10.178 10.702 ( 10.126 0.000 -9.338) 13.774 10.702 ( 10.126 0.000 9.338) 13.774 10.821 ( 7.965 0.000 -8.672) 11.775 10.821 ( 7.965 0.000 8.672) 11.775 11.132 ( -0.962 0.000 -9.075) 9.125 11.132 ( -0.962 -0.000 9.075) 9.125 11.189 ( -3.670 0.000 -7.347) 8.213 11.189 ( -3.670 0.000 7.347) 8.213 11.801 ( 7.042 0.000 -9.141) 11.539 11.801 ( 7.042 -0.000 9.141) 11.539 11.881 ( 3.227 -0.000 -3.944) 5.096 11.881 ( 3.227 0.000 3.944) 5.096 13.291 ( -1.911 0.000 -10.392) 10.567 13.291 ( -1.912 0.000 10.392) 10.567 13.340 ( 1.359 0.000 -11.561) 11.641 13.340 ( 1.359 0.000 11.561) 11.641 13.685 ( 0.229 0.000 -7.983) 7.986 13.685 ( 0.229 0.000 7.983) 7.986 14.112 ( 4.877 0.000 -5.067) 7.032 14.112 ( 4.877 0.000 5.067) 7.032 14.634 ( -14.960 0.000 -5.372) 15.895 14.634 ( -14.960 -0.000 5.372) 15.895 14.891 ( -10.272 0.000 -11.667) 15.545 14.891 ( -10.272 0.000 11.667) 15.545 15.972 ( -2.090 0.000 -1.496) 2.570 15.972 ( -2.090 0.000 1.496) 2.570 16.094 ( -6.786 0.000 -11.142) 13.046 16.094 ( -6.786 0.000 11.142) 13.046 ======================= Grid point 339 (108/108) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 3.296 0.000 -3.963) 5.155 2.168 ( 3.296 -0.000 3.963) 5.155 2.288 ( -8.185 0.000 -9.186) 12.304 2.288 ( -8.185 0.000 9.186) 12.304 2.955 ( 3.711 -0.000 -4.689) 5.980 2.955 ( 3.711 0.000 4.689) 5.980 3.047 ( -4.798 0.000 -6.655) 8.205 3.047 ( -4.798 0.000 6.655) 8.205 3.458 ( 3.823 0.000 -4.316) 5.766 3.458 ( 3.823 0.000 4.316) 5.766 3.521 ( -2.166 -0.000 -5.131) 5.570 3.521 ( -2.166 0.000 5.131) 5.570 3.927 ( 16.126 0.000 -6.308) 17.316 3.927 ( 16.126 0.000 6.308) 17.316 4.233 ( -12.283 0.000 -5.958) 13.652 4.233 ( -12.283 0.000 5.958) 13.652 4.504 ( 3.396 0.000 -4.813) 5.890 4.504 ( 3.396 0.000 4.813) 5.890 4.600 ( -2.513 -0.000 -1.598) 2.978 4.600 ( -2.513 0.000 1.598) 2.978 5.107 ( -3.464 0.000 -1.353) 3.719 5.107 ( -3.464 0.000 1.353) 3.719 5.127 ( -4.085 0.000 -2.656) 4.873 5.127 ( -4.085 0.000 2.656) 4.873 5.756 ( 2.443 0.000 -18.759) 18.917 5.756 ( 2.443 0.000 18.759) 18.917 5.808 ( -2.854 0.000 -21.392) 21.581 5.808 ( -2.854 0.000 21.392) 21.581 6.602 ( 2.272 0.000 -3.597) 4.255 6.602 ( 2.272 -0.000 3.597) 4.255 6.648 ( -2.052 0.000 -3.947) 4.449 6.648 ( -2.052 0.000 3.947) 4.449 7.462 ( 3.839 0.000 -12.122) 12.716 7.462 ( 3.839 0.000 12.122) 12.716 7.516 ( -1.725 0.000 -11.119) 11.252 7.516 ( -1.725 0.000 11.119) 11.252 8.399 ( 3.418 0.000 -8.408) 9.076 8.399 ( 3.418 -0.000 8.408) 9.076 8.450 ( -1.504 0.000 -7.900) 8.042 8.450 ( -1.504 0.000 7.900) 8.042 8.943 ( 5.611 0.000 -10.636) 12.025 8.943 ( 5.611 0.000 10.636) 12.025 9.060 ( -6.145 0.000 -10.523) 12.186 9.060 ( -6.145 0.000 10.523) 12.186 10.872 ( 6.905 0.000 -10.690) 12.726 10.872 ( 6.905 0.000 10.690) 12.726 10.926 ( 2.002 -0.000 -9.022) 9.242 10.926 ( 2.002 -0.000 9.022) 9.242 11.109 ( -0.984 -0.000 -10.830) 10.874 11.109 ( -0.984 -0.000 10.830) 10.874 11.122 ( -2.735 0.000 -4.493) 5.260 11.122 ( -2.735 0.000 4.493) 5.260 11.898 ( 2.836 -0.000 -7.627) 8.137 11.898 ( 2.836 -0.000 7.627) 8.137 11.917 ( 0.563 -0.000 -5.999) 6.025 11.917 ( 0.563 0.000 5.999) 6.026 13.285 ( 1.178 0.000 -8.690) 8.769 13.285 ( 1.178 0.000 8.690) 8.770 13.322 ( -2.260 0.000 -8.303) 8.605 13.322 ( -2.260 0.000 8.303) 8.605 13.801 ( 11.040 0.000 -6.113) 12.620 13.801 ( 11.040 0.000 6.113) 12.620 14.046 ( -12.001 0.000 -6.098) 13.462 14.046 ( -12.001 0.000 6.098) 13.462 14.528 ( 4.626 -0.000 -14.061) 14.802 14.528 ( 4.626 -0.000 14.061) 14.802 14.690 ( -10.362 0.000 -13.766) 17.231 14.690 ( -10.362 0.000 13.766) 17.231 15.956 ( 0.492 0.000 -3.429) 3.464 15.956 ( 0.492 0.000 3.429) 3.464 15.994 ( -3.581 0.000 -7.867) 8.644 15.994 ( -3.581 0.000 7.867) 8.644 =================== 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 3/31680 10.0 3698.131 2112.692 3153.947 0.000 0.000 0.000 3/31680 20.0 634.287 223.490 549.685 0.000 0.000 0.000 3/31680 30.0 213.125 68.300 182.543 0.000 0.000 0.000 3/31680 40.0 108.005 33.549 92.049 0.000 0.000 0.000 3/31680 50.0 66.385 20.444 56.517 0.000 0.000 0.000 3/31680 60.0 45.558 14.000 38.838 0.000 0.000 0.000 3/31680 70.0 33.548 10.306 28.679 0.000 0.000 0.000 3/31680 80.0 25.956 7.976 22.263 0.000 0.000 0.000 3/31680 90.0 20.841 6.409 17.938 0.000 0.000 0.000 3/31680 100.0 17.230 5.302 14.878 0.000 0.000 0.000 3/31680 110.0 14.586 4.492 12.630 0.000 0.000 0.000 3/31680 120.0 12.589 3.880 10.929 0.000 0.000 0.000 3/31680 130.0 11.042 3.405 9.608 0.000 0.000 0.000 3/31680 140.0 9.817 3.029 8.560 0.000 0.000 0.000 3/31680 150.0 8.829 2.725 7.712 0.000 0.000 0.000 3/31680 160.0 8.017 2.475 7.014 0.000 0.000 0.000 3/31680 170.0 7.341 2.266 6.432 0.000 0.000 0.000 3/31680 180.0 6.770 2.090 5.940 0.000 0.000 0.000 3/31680 190.0 6.282 1.939 5.518 0.000 0.000 0.000 3/31680 200.0 5.861 1.809 5.154 0.000 0.000 0.000 3/31680 210.0 5.495 1.696 4.836 0.000 0.000 0.000 3/31680 220.0 5.172 1.596 4.556 0.000 0.000 0.000 3/31680 230.0 4.886 1.507 4.308 0.000 0.000 0.000 3/31680 240.0 4.632 1.428 4.087 0.000 0.000 0.000 3/31680 250.0 4.403 1.358 3.888 0.000 0.000 0.000 3/31680 260.0 4.197 1.294 3.708 0.000 0.000 0.000 3/31680 270.0 4.010 1.236 3.545 0.000 0.000 0.000 3/31680 280.0 3.840 1.183 3.396 0.000 0.000 0.000 3/31680 290.0 3.684 1.134 3.260 0.000 0.000 0.000 3/31680 300.0 3.541 1.090 3.134 0.000 0.000 0.000 3/31680 310.0 3.408 1.049 3.019 0.000 0.000 0.000 3/31680 320.0 3.286 1.011 2.912 0.000 0.000 0.000 3/31680 330.0 3.173 0.976 2.812 0.000 0.000 0.000 3/31680 340.0 3.067 0.943 2.720 0.000 0.000 0.000 3/31680 350.0 2.969 0.913 2.633 0.000 0.000 0.000 3/31680 360.0 2.877 0.884 2.552 0.000 0.000 0.000 3/31680 370.0 2.790 0.858 2.476 0.000 0.000 0.000 3/31680 380.0 2.709 0.832 2.405 0.000 0.000 0.000 3/31680 390.0 2.633 0.809 2.338 0.000 0.000 0.000 3/31680 400.0 2.560 0.787 2.274 0.000 0.000 0.000 3/31680 410.0 2.492 0.766 2.214 0.000 0.000 0.000 3/31680 420.0 2.428 0.746 2.157 0.000 0.000 0.000 3/31680 430.0 2.367 0.727 2.103 0.000 0.000 0.000 3/31680 440.0 2.309 0.709 2.052 0.000 0.000 0.000 3/31680 450.0 2.254 0.692 2.004 0.000 0.000 0.000 3/31680 460.0 2.201 0.676 1.957 0.000 0.000 0.000 3/31680 470.0 2.151 0.660 1.913 0.000 0.000 0.000 3/31680 480.0 2.103 0.645 1.871 0.000 0.000 0.000 3/31680 490.0 2.057 0.631 1.830 0.000 0.000 0.000 3/31680 500.0 2.014 0.618 1.792 0.000 0.000 0.000 3/31680 510.0 1.972 0.605 1.755 0.000 0.000 0.000 3/31680 520.0 1.932 0.593 1.719 0.000 0.000 0.000 3/31680 530.0 1.894 0.581 1.685 0.000 0.000 0.000 3/31680 540.0 1.857 0.569 1.653 0.000 0.000 0.000 3/31680 550.0 1.821 0.558 1.621 0.000 0.000 0.000 3/31680 560.0 1.787 0.548 1.591 0.000 0.000 0.000 3/31680 570.0 1.754 0.538 1.562 0.000 0.000 0.000 3/31680 580.0 1.723 0.528 1.534 0.000 0.000 0.000 3/31680 590.0 1.692 0.519 1.507 0.000 0.000 0.000 3/31680 600.0 1.663 0.510 1.481 0.000 0.000 0.000 3/31680 610.0 1.634 0.501 1.456 0.000 0.000 0.000 3/31680 620.0 1.607 0.492 1.431 0.000 0.000 0.000 3/31680 630.0 1.581 0.484 1.408 0.000 0.000 0.000 3/31680 640.0 1.555 0.476 1.385 0.000 0.000 0.000 3/31680 650.0 1.530 0.469 1.363 0.000 0.000 0.000 3/31680 660.0 1.506 0.461 1.342 0.000 0.000 0.000 3/31680 670.0 1.483 0.454 1.321 0.000 0.000 0.000 3/31680 680.0 1.460 0.447 1.301 0.000 0.000 0.000 3/31680 690.0 1.439 0.441 1.282 0.000 0.000 0.000 3/31680 700.0 1.417 0.434 1.263 0.000 0.000 0.000 3/31680 710.0 1.397 0.428 1.245 0.000 0.000 0.000 3/31680 720.0 1.377 0.422 1.227 0.000 0.000 0.000 3/31680 730.0 1.357 0.416 1.210 0.000 0.000 0.000 3/31680 740.0 1.339 0.410 1.193 0.000 0.000 0.000 3/31680 750.0 1.320 0.404 1.177 0.000 0.000 0.000 3/31680 760.0 1.302 0.399 1.161 0.000 0.000 0.000 3/31680 770.0 1.285 0.394 1.146 0.000 0.000 0.000 3/31680 780.0 1.268 0.388 1.131 0.000 0.000 0.000 3/31680 790.0 1.252 0.383 1.116 0.000 0.000 0.000 3/31680 800.0 1.236 0.378 1.102 0.000 0.000 0.000 3/31680 810.0 1.220 0.374 1.088 0.000 0.000 0.000 3/31680 820.0 1.205 0.369 1.074 0.000 0.000 0.000 3/31680 830.0 1.190 0.364 1.061 0.000 0.000 0.000 3/31680 840.0 1.176 0.360 1.048 0.000 0.000 0.000 3/31680 850.0 1.161 0.356 1.036 0.000 0.000 0.000 3/31680 860.0 1.148 0.351 1.024 0.000 0.000 0.000 3/31680 870.0 1.134 0.347 1.012 0.000 0.000 0.000 3/31680 880.0 1.121 0.343 1.000 0.000 0.000 0.000 3/31680 890.0 1.108 0.339 0.989 0.000 0.000 0.000 3/31680 900.0 1.096 0.335 0.977 0.000 0.000 0.000 3/31680 910.0 1.083 0.332 0.966 0.000 0.000 0.000 3/31680 920.0 1.072 0.328 0.956 0.000 0.000 0.000 3/31680 930.0 1.060 0.324 0.945 0.000 0.000 0.000 3/31680 940.0 1.048 0.321 0.935 0.000 0.000 0.000 3/31680 950.0 1.037 0.317 0.925 0.000 0.000 0.000 3/31680 960.0 1.026 0.314 0.915 0.000 0.000 0.000 3/31680 970.0 1.015 0.311 0.906 0.000 0.000 0.000 3/31680 980.0 1.005 0.308 0.896 0.000 0.000 0.000 3/31680 990.0 0.995 0.304 0.887 0.000 0.000 0.000 3/31680 1000.0 0.984 0.301 0.878 0.000 0.000 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m11410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:09:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|